data_2580 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 2580 _Entry.Title ; Sequence-specific resonance assignment and secondary structure of (1-71) bacterioopsin ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-04-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 A. Sobol . G. . 2580 2 Alexander Arseniev . S. . 2580 3 Galina Abdulaeva . V. . 2580 4 Larisa Musina . Yu . 2580 5 Vladimir Bystrov . F. . 2580 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 2580 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 464 2580 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 5 . . 2010-06-17 . revision BMRB 'Complete natural source information' 2580 4 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 2580 3 . . 1996-04-13 . revision BMRB 'Link to the Protein Data Bank added' 2580 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 2580 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 2580 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 2580 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Sobol, A.G., Arseniev, Alexander S., Abdulaeva, Galina V., Musina, Larisa Yu., Bystrov, Vladimir F., "Sequence-specific resonance assignment and secondary structure of (1-71) bacterioopsin," J. Biomol. NMR 2, 161-171 (1992). ; _Citation.Title ; Sequence-specific resonance assignment and secondary structure of (1-71) bacterioopsin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 2 _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 161 _Citation.Page_last 171 _Citation.Year 1992 _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 A. Sobol . G. . 2580 1 2 Alexander Arseniev . S. . 2580 1 3 Galina Abdulaeva . V. . 2580 1 4 Larisa Musina . Yu . 2580 1 5 Vladimir Bystrov . F. . 2580 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_bacteriorhodopsin _Assembly.Sf_category assembly _Assembly.Sf_framecode system_bacteriorhodopsin _Assembly.Entry_ID 2580 _Assembly.ID 1 _Assembly.Name bacteriorhodopsin _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic . _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 bacteriorhodopsin 1 $bacteriorhodopsin . . . . . . . . . 2580 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID bacteriorhodopsin system 2580 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_bacteriorhodopsin _Entity.Sf_category entity _Entity.Sf_framecode bacteriorhodopsin _Entity.Entry_ID 2580 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name bacteriorhodopsin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can ; XAQITGRPEWIWLALGTALM GLGTLYFLVKGMGVSDPDAK KFYAITTLVPAIAFTMYLSM LLGYGLTMVPF ; _Entity.Polymer_seq_one_letter_code ; XAQITGRPEWIWLALGTALM GLGTLYFLVKGMGVSDPDAK KFYAITTLVPAIAFTMYLSM LLGYGLTMVPF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 71 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17361 . bR . . . . . 98.59 249 100.00 100.00 1.42e-38 . . . . 2580 1 2 no PDB 1AP9 . "X-Ray Structure Of Bacteriorhodopsin From Microcrystals Grown In Lipidic Cubic Phases" . . . . . 98.59 248 100.00 100.00 1.28e-38 . . . . 2580 1 3 no PDB 1AT9 . "Structure Of Bacteriorhodopsin At 3.0 Angstrom Determined By Electron Crystallography" . . . . . 98.59 248 100.00 100.00 1.33e-38 . . . . 2580 1 4 no PDB 1BHA . "Three-Dimensional Structure Of (1-71) Bacterioopsin Solubilized In Methanol-Chloroform And Sds Micelles Determined By 15n-1h He" . . . . . 98.59 71 100.00 100.00 2.66e-40 . . . . 2580 1 5 no PDB 1BHB . "Three-Dimensional Structure Of (1-71) Bacterioopsin Solubilized In Methanol-Chloroform And Sds Micelles Determined By 15n-1h He" . . . . . 98.59 71 100.00 100.00 2.66e-40 . . . . 2580 1 6 no PDB 1BM1 . "Crystal Structure Of Bacteriorhodopsin In The Light-adapted State" . . . . . 98.59 248 100.00 100.00 1.33e-38 . . . . 2580 1 7 no PDB 1BRD . "Model For The Structure Of Bacteriorhodopsin Based On High-R Electron Cryo-Microscopy" . . . . . 98.59 248 100.00 100.00 1.33e-38 . . . . 2580 1 8 no PDB 1BRR . "X-Ray Structure Of The Bacteriorhodopsin TrimerLIPID COMPLEX" . . . . . 98.59 247 100.00 100.00 1.09e-38 . . . . 2580 1 9 no PDB 1BRX . "BacteriorhodopsinLIPID COMPLEX" . . . . . 98.59 248 100.00 100.00 1.33e-38 . . . . 2580 1 10 no PDB 1C3W . "BacteriorhodopsinLIPID COMPLEX AT 1.55 A RESOLUTION" . . . . . 94.37 222 100.00 100.00 1.83e-36 . . . . 2580 1 11 no PDB 1C8R . "Bacteriorhodopsin D96n Br State At 2.0 A Resolution" . . . . . 98.59 249 100.00 100.00 1.31e-38 . . . . 2580 1 12 no PDB 1C8S . "Bacteriorhodopsin D96n Late M State Intermediate" . . . . . 94.37 196 100.00 100.00 1.01e-36 . . . . 2580 1 13 no PDB 1CWQ . "M Intermediate Structure Of The Wild Type Bacteriorhodopsin In Combination With The Ground State Structure" . . . . . 98.59 248 100.00 100.00 1.20e-38 . . . . 2580 1 14 no PDB 1DZE . "Structure Of The M Intermediate Of Bacteriorhodopsin Trapped At 100k" . . . . . 98.59 248 100.00 100.00 1.28e-38 . . . . 2580 1 15 no PDB 1E0P . "L Intermediate Of Bacteriorhodopsin" . . . . . 94.37 228 100.00 100.00 1.71e-36 . . . . 2580 1 16 no PDB 1F4Z . "Bacteriorhodopsin-M Photointermediate State Of The E204q Mutant At 1.8 Angstrom Resolution" . . . . . 94.37 227 100.00 100.00 1.55e-36 . . . . 2580 1 17 no PDB 1F50 . "Bacteriorhodopsin-br State Of The E204q Mutant At 1.7 Angstrom Resolution" . . . . . 94.37 227 100.00 100.00 1.55e-36 . . . . 2580 1 18 no PDB 1FBB . "Crystal Structure Of Native Conformation Of Bacteriorhodopsin" . . . . . 98.59 248 100.00 100.00 1.28e-38 . . . . 2580 1 19 no PDB 1FBK . "Crystal Structure Of Cytoplasmically Open Conformation Of Bacteriorhodopsin" . . . . . 98.59 248 100.00 100.00 1.31e-38 . . . . 2580 1 20 no PDB 1IW6 . "Crystal Structure Of The Ground State Of Bacteriorhodopsin" . . . . . 98.59 248 100.00 100.00 1.28e-38 . . . . 2580 1 21 no PDB 1IW9 . "Crystal Structure Of The M Intermediate Of Bacteriorhodopsin" . . . . . 98.59 248 100.00 100.00 1.28e-38 . . . . 2580 1 22 no PDB 1IXF . "Crystal Structure Of The K Intermediate Of Bacteriorhodopsin" . . . . . 98.59 248 100.00 100.00 1.28e-38 . . . . 2580 1 23 no PDB 1JV6 . "Bacteriorhodopsin D85sF219L DOUBLE MUTANT AT 2.00 ANGSTROM Resolution" . . . . . 98.59 249 100.00 100.00 1.10e-38 . . . . 2580 1 24 no PDB 1JV7 . "Bacteriorhodopsin O-like Intermediate State Of The D85s Mutant At 2.25 Angstrom Resolution" . . . . . 98.59 249 100.00 100.00 1.27e-38 . . . . 2580 1 25 no PDB 1KG8 . "X-Ray Structure Of An Early-M Intermediate Of Bacteriorhodopsin" . . . . . 98.59 231 100.00 100.00 9.54e-39 . . . . 2580 1 26 no PDB 1KG9 . 'Structure Of A "mock-Trapped" Early-M Intermediate Of Bacteriorhosopsin' . . . . . 98.59 231 100.00 100.00 9.54e-39 . . . . 2580 1 27 no PDB 1KGB . "Structure Of Ground-State Bacteriorhodopsin" . . . . . 98.59 231 100.00 100.00 9.54e-39 . . . . 2580 1 28 no PDB 1KME . "Crystal Structure Of Bacteriorhodopsin Crystallized From Bicelles" . . . . . 98.59 231 100.00 100.00 9.54e-39 . . . . 2580 1 29 no PDB 1L0M . "Solution Structure Of Bacteriorhodopsin" . . . . . 91.55 212 100.00 100.00 3.21e-35 . . . . 2580 1 30 no PDB 1M0K . "Bacteriorhodopsin K Intermediate At 1.43 A Resolution" . . . . . 98.59 262 100.00 100.00 1.55e-38 . . . . 2580 1 31 no PDB 1M0L . "BacteriorhodopsinLIPID COMPLEX AT 1.47 A RESOLUTION" . . . . . 98.59 262 100.00 100.00 1.55e-38 . . . . 2580 1 32 no PDB 1M0M . "Bacteriorhodopsin M1 Intermediate At 1.43 A Resolution" . . . . . 98.59 262 100.00 100.00 1.55e-38 . . . . 2580 1 33 no PDB 1MGY . "Structure Of The D85s Mutant Of Bacteriorhodopsin With Bromide Bound" . . . . . 98.59 249 100.00 100.00 1.27e-38 . . . . 2580 1 34 no PDB 1O0A . "Bacteriorhodopsin L Intermediate At 1.62 A Resolution" . . . . . 98.59 249 100.00 100.00 1.42e-38 . . . . 2580 1 35 no PDB 1P8H . "Bacteriorhodopsin M1 Intermediate Produced At Room Temperature" . . . . . 98.59 249 100.00 100.00 1.42e-38 . . . . 2580 1 36 no PDB 1P8I . "F219l Bacteriorhodopsin Mutant" . . . . . 98.59 249 100.00 100.00 1.23e-38 . . . . 2580 1 37 no PDB 1P8U . "Bacteriorhodopsin N' Intermediate At 1.62 A Resolution" . . . . . 98.59 249 98.57 98.57 6.40e-38 . . . . 2580 1 38 no PDB 1PXR . "Structure Of Pro50ala Mutant Of Bacteriorhodopsin" . . . . . 98.59 249 98.57 98.57 2.10e-37 . . . . 2580 1 39 no PDB 1PXS . "Structure Of Met56ala Mutant Of Bacteriorhodopsin" . . . . . 98.59 249 98.57 98.57 1.25e-37 . . . . 2580 1 40 no PDB 1PY6 . "Bacteriorhodopsin Crystallized From Bicells" . . . . . 98.59 249 100.00 100.00 1.42e-38 . . . . 2580 1 41 no PDB 1Q5I . "Crystal Structure Of Bacteriorhodopsin Mutant P186a Crystallized From Bicelles" . . . . . 98.59 249 100.00 100.00 1.29e-38 . . . . 2580 1 42 no PDB 1Q5J . "Crystal Structure Of Bacteriorhodopsin Mutant P91a Crystallized From Bicelles" . . . . . 98.59 249 100.00 100.00 1.29e-38 . . . . 2580 1 43 no PDB 1QHJ . "X-Ray Structure Of Bacteriorhodopsin Grown In Lipidic Cubic Phases" . . . . . 98.59 248 100.00 100.00 1.28e-38 . . . . 2580 1 44 no PDB 1QKO . "High Resolution X-Ray Structure Of An Early Intermediate In The Bacteriorhodopsin Photocycle" . . . . . 98.59 248 100.00 100.00 1.28e-38 . . . . 2580 1 45 no PDB 1QKP . "High Resolution X-Ray Structure Of An Early Intermediate In The Bacteriorhodopsin Photocycle" . . . . . 98.59 248 100.00 100.00 1.28e-38 . . . . 2580 1 46 no PDB 1QM8 . "Structure Of Bacteriorhodopsin At 100 K" . . . . . 98.59 248 100.00 100.00 1.28e-38 . . . . 2580 1 47 no PDB 1R2N . "Nmr Structure Of The All-trans Retinal In Dark-adapted Bacteriorhodopsin" . . . . . 98.59 249 100.00 100.00 1.42e-38 . . . . 2580 1 48 no PDB 1R84 . "Nmr Structure Of The 13-cis-15-syn Retinal In Dark_adapted Bacteriorhodopsin" . . . . . 98.59 232 100.00 100.00 8.60e-39 . . . . 2580 1 49 no PDB 1S51 . "Thr24ser Bacteriorhodopsin" . . . . . 94.37 227 98.51 100.00 3.98e-36 . . . . 2580 1 50 no PDB 1S52 . "Thr24val Bacteriorhodopsin" . . . . . 94.37 227 98.51 98.51 7.32e-36 . . . . 2580 1 51 no PDB 1S53 . "Thr46ser Bacteriorhodopsin" . . . . . 94.37 227 98.51 100.00 3.98e-36 . . . . 2580 1 52 no PDB 1S54 . "Thr24ala Bacteriorhodopsin" . . . . . 94.37 227 98.51 98.51 7.72e-36 . . . . 2580 1 53 no PDB 1S8J . "Nitrate-Bound D85s Mutant Of Bacteriorhodopsin" . . . . . 98.59 249 100.00 100.00 1.27e-38 . . . . 2580 1 54 no PDB 1S8L . "Anion-Free Form Of The D85s Mutant Of Bacteriorhodopsin From Crystals Grown In The Presence Of Halide" . . . . . 98.59 249 100.00 100.00 1.27e-38 . . . . 2580 1 55 no PDB 1TN0 . "Structure Of Bacterorhodopsin Mutant A51p" . . . . . 98.59 249 98.57 98.57 1.06e-37 . . . . 2580 1 56 no PDB 1TN5 . "Structure Of Bacterorhodopsin Mutant K41p" . . . . . 98.59 249 98.57 98.57 1.50e-37 . . . . 2580 1 57 no PDB 1UCQ . "Crystal Structure Of The L Intermediate Of Bacteriorhodopsin" . . . . . 98.59 249 100.00 100.00 1.42e-38 . . . . 2580 1 58 no PDB 1VJM . "Deformation Of Helix C In The Low-Temperature L-Intermediate Of Bacteriorhodopsin" . . . . . 98.59 249 100.00 100.00 1.42e-38 . . . . 2580 1 59 no PDB 1X0I . "Crystal Structure Of The Acid Blue Form Of Bacteriorhodopsin" . . . . . 98.59 248 100.00 100.00 1.28e-38 . . . . 2580 1 60 no PDB 1X0K . "Crystal Structure Of Bacteriorhodopsin At Ph 10" . . . . . 98.59 248 100.00 100.00 1.28e-38 . . . . 2580 1 61 no PDB 1X0S . "Crystal Structure Of The 13-Cis Isomer Of Bacteriorhodopsin" . . . . . 98.59 248 100.00 100.00 1.28e-38 . . . . 2580 1 62 no PDB 1XJI . "Bacteriorhodopsin Crystallized In Bicelles At Room Temperature" . . . . . 98.59 247 100.00 100.00 1.29e-38 . . . . 2580 1 63 no PDB 2AT9 . "Structure Of Bacteriorhodopsin At 3.0 Angstrom By Electron Crystallography" . . . . . 98.59 248 100.00 100.00 1.33e-38 . . . . 2580 1 64 no PDB 2BRD . "Crystal Structure Of Bacteriorhodopsin In Purple Membrane" . . . . . 98.59 248 100.00 100.00 1.33e-38 . . . . 2580 1 65 no PDB 2I1X . "BacteriorhodopsinLIPID COMPLEX, D96A MUTANT" . . . . . 98.59 249 100.00 100.00 1.37e-38 . . . . 2580 1 66 no PDB 2I20 . "BacteriorhodopsinLIPID COMPLEX, M STATE OF D96A MUTANT" . . . . . 98.59 249 100.00 100.00 1.37e-38 . . . . 2580 1 67 no PDB 2I21 . "BacteriorhodopsinLIPID COMPLEX, T46V MUTANT" . . . . . 98.59 249 98.57 98.57 6.33e-38 . . . . 2580 1 68 no PDB 2NTU . "Bacteriorhodopsin, Wild Type, Before Illumination" . . . . . 98.59 249 100.00 100.00 1.42e-38 . . . . 2580 1 69 no PDB 2NTW . "Bacteriorhodopsin, Wild Type, After Illumination To Produce The L Intermediate" . . . . . 98.59 249 100.00 100.00 1.42e-38 . . . . 2580 1 70 no PDB 2WJK . "Bacteriorhodopsin Mutant E204d" . . . . . 98.59 249 100.00 100.00 1.58e-38 . . . . 2580 1 71 no PDB 2WJL . "Bacteriorhodopsin Mutant E194d" . . . . . 98.59 249 100.00 100.00 1.58e-38 . . . . 2580 1 72 no PDB 2ZFE . "Crystal Structure Of Bacteriorhodopsin-Xenon Complex" . . . . . 98.59 262 100.00 100.00 1.55e-38 . . . . 2580 1 73 no PDB 2ZZL . "Structure Of Bacteriorhodopsin's M Intermediate At Ph 7" . . . . . 98.59 262 100.00 100.00 1.55e-38 . . . . 2580 1 74 no PDB 3COC . "Crystal Structure Of D115a Mutant Of Bacteriorhodopsin" . . . . . 98.59 249 100.00 100.00 1.37e-38 . . . . 2580 1 75 no PDB 3COD . "Crystal Structure Of T90aD115A MUTANT OF BACTERIORHODOPSIN" . . . . . 98.59 249 100.00 100.00 1.34e-38 . . . . 2580 1 76 no PDB 3HAN . "Crystal Structure Of Bacteriorhodopsin Mutant V49a Crystallized From Bicelles" . . . . . 98.59 249 98.57 98.57 6.40e-38 . . . . 2580 1 77 no PDB 3HAO . "Crystal Structure Of Bacteriorhodopsin Mutant L94a Crystallized From Bicelles" . . . . . 98.59 249 100.00 100.00 1.48e-38 . . . . 2580 1 78 no PDB 3HAP . "Crystal Structure Of Bacteriorhodopsin Mutant L111a Crystallized From Bicelles" . . . . . 98.59 249 100.00 100.00 1.48e-38 . . . . 2580 1 79 no PDB 3HAQ . "Crystal Structure Of Bacteriorhodopsin Mutant I148a Crystallized From Bicelles" . . . . . 98.59 249 100.00 100.00 1.59e-38 . . . . 2580 1 80 no PDB 3HAR . "Crystal Structure Of Bacteriorhodopsin Mutant I148v Crystallized From Bicelles" . . . . . 98.59 249 100.00 100.00 1.36e-38 . . . . 2580 1 81 no PDB 3HAS . "Crystal Structure Of Bacteriorhodopsin Mutant L152a Crystallized From Bicelles" . . . . . 98.59 249 100.00 100.00 1.48e-38 . . . . 2580 1 82 no PDB 3MBV . "Structure Of Bacterirhodopsin Crystallized In Betta-Xyloc(16+4) Meso Phase" . . . . . 98.59 248 100.00 100.00 1.28e-38 . . . . 2580 1 83 no PDB 3NS0 . "X-Ray Structure Of Bacteriorhodopsin" . . . . . 98.59 248 100.00 100.00 1.28e-38 . . . . 2580 1 84 no PDB 3NSB . "Structure Of Bacteriorhodopsin Ground State Before And After X-Ray Modification" . . . . . 98.59 248 100.00 100.00 1.28e-38 . . . . 2580 1 85 no PDB 3T45 . "Crystal Structure Of Bacteriorhodopsin Mutant A215t, A Phototaxis Signaling Mutant At 3.0 A Resolution" . . . . . 91.55 225 100.00 100.00 4.12e-35 . . . . 2580 1 86 no PDB 3UTV . "Crystal Structure Of Bacteriorhodopsin Mutant Y57f" . . . . . 98.59 249 98.57 100.00 4.85e-38 . . . . 2580 1 87 no PDB 3UTW . "Crystal Structure Of Bacteriorhodopsin Mutant P50a/y57f" . . . . . 98.59 249 97.14 98.57 6.93e-37 . . . . 2580 1 88 no PDB 3UTX . "Crystal Structure Of Bacteriorhodopsin Mutant T46a" . . . . . 98.59 249 98.57 98.57 6.82e-38 . . . . 2580 1 89 no PDB 3UTY . "Crystal Structure Of Bacteriorhodopsin Mutant P50a/t46a" . . . . . 98.59 249 97.14 97.14 9.06e-37 . . . . 2580 1 90 no PDB 3VHZ . "Crystal Structure Of The Trans Isomer Of The L93a Mutant Of Bacteriorhodopsin" . . . . . 98.59 262 100.00 100.00 1.54e-38 . . . . 2580 1 91 no PDB 3VI0 . "Crystal Structure Of The O Intermediate Of The L93a Mutant Of Bacteriorhodopsin" . . . . . 98.59 262 100.00 100.00 1.54e-38 . . . . 2580 1 92 no PDB 4FPD . "Deprotonation Of D96 In Bacteriorhodopsin Opens The Proton Uptake Pathway" . . . . . 98.59 262 100.00 100.00 1.67e-38 . . . . 2580 1 93 no PDB 4HWL . "Crystal Structure Analysis Of The Bacteriorhodopsin In Facial Amphiphile-7 Dmpc Bicelle" . . . . . 98.59 262 100.00 100.00 1.55e-38 . . . . 2580 1 94 no PDB 4HYX . "Crystal Structure Analysis Of The Bacteriorhodopsin In Facial Amphiphile-4 Dmpc Bicelle" . . . . . 98.59 262 100.00 100.00 1.55e-38 . . . . 2580 1 95 no PDB 4MD1 . "Orange Species Of Bacteriorhodopsin From Halobacterium Salinarum" . . . . . 98.59 248 100.00 100.00 1.28e-38 . . . . 2580 1 96 no PDB 4MD2 . "Ground State Of Bacteriorhodopsin From Halobacterium Salinarum" . . . . . 98.59 248 100.00 100.00 1.28e-38 . . . . 2580 1 97 no PDB 4X31 . "Room Temperature Structure Of Bacteriorhodopsin From Lipidic Cubic Phase Obtained With Serial Millisecond Crystallography Using" . . . . . 94.37 229 100.00 100.00 1.81e-36 . . . . 2580 1 98 no PDB 4X32 . "Bacteriorhodopsin Ground State Structure Collected In Cryo Conditions From Crystals Obtained In Lcp With Peg As A Precipitant" . . . . . 94.37 228 100.00 100.00 1.71e-36 . . . . 2580 1 99 no PDB 4XXJ . "Crystal Structure Of Escherichia Coli-expressed Halobacterium Salinarum Bacteriorhodopsin In The Trimeric Form" . . . . . 98.59 269 100.00 100.00 1.62e-38 . . . . 2580 1 100 no PDB 5A44 . "Structure Of Bacteriorhodopsin Obtained From 20um Crystals By Multi Crystal Data Collection" . . . . . 98.59 248 100.00 100.00 1.28e-38 . . . . 2580 1 101 no PDB 5A45 . "Structure Of Bacteriorhodopsin Obtained From 5um Crystals By Multi Crystal Data Collection" . . . . . 98.59 248 100.00 100.00 1.28e-38 . . . . 2580 1 102 no EMBL CAA23744 . "unnamed protein product [Halobacterium salinarum]" . . . . . 98.59 262 100.00 100.00 1.55e-38 . . . . 2580 1 103 no EMBL CAA49762 . "bacterioopsin [synthetic construct]" . . . . . 98.59 259 100.00 100.00 3.03e-38 . . . . 2580 1 104 no EMBL CAA49774 . "bacterio-opsin [Halobacterium sp. GRB]" . . . . . 98.59 262 100.00 100.00 1.55e-38 . . . . 2580 1 105 no EMBL CAP14056 . "bacteriorhodopsin [Halobacterium salinarum R1]" . . . . . 98.59 262 100.00 100.00 1.55e-38 . . . . 2580 1 106 no GB AAA72184 . "bacteriorhodopsin [synthetic construct]" . . . . . 98.59 249 100.00 100.00 1.34e-38 . . . . 2580 1 107 no GB AAA72504 . "bacteriorhodopsin [Halobacterium salinarum]" . . . . . 98.59 262 100.00 100.00 1.55e-38 . . . . 2580 1 108 no GB AAA72603 . "bacteriorhodopsin [synthetic construct]" . . . . . 98.59 249 100.00 100.00 1.34e-38 . . . . 2580 1 109 no GB AAG19772 . "bacteriorhodopsin [Halobacterium sp. NRC-1]" . . . . . 98.59 262 100.00 100.00 1.55e-38 . . . . 2580 1 110 no GB AER29833 . "ChR2-EYFP-betabR [synthetic construct]" . . . . . 98.59 906 100.00 100.00 1.56e-36 . . . . 2580 1 111 no PRF 0501217A . bacteriorhodopsin . . . . . 98.59 247 100.00 100.00 1.00e-38 . . . . 2580 1 112 no PRF 0502635B . "bacteriorhodopsin N term fragment" . . . . . 98.59 144 100.00 100.00 1.81e-39 . . . . 2580 1 113 no PRF 0712242A . "bacteriorhodopsin precursor" . . . . . 98.59 262 100.00 100.00 1.47e-38 . . . . 2580 1 114 no REF WP_049892510 . "rhodopsin [Halobacterium salinarum]" . . . . . 73.24 230 100.00 100.00 1.22e-24 . . . . 2580 1 115 no SP P02945 . "RecName: Full=Bacteriorhodopsin; Short=BR; AltName: Full=Bacterioopsin; Short=BO; Flags: Precursor" . . . . . 98.59 262 100.00 100.00 1.55e-38 . . . . 2580 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID bacteriorhodopsin common 2580 1 'chymotryptic fragment C2' variant 2580 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 . X . 2580 1 2 . ALA . 2580 1 3 . GLN . 2580 1 4 . ILE . 2580 1 5 . THR . 2580 1 6 . GLY . 2580 1 7 . ARG . 2580 1 8 . PRO . 2580 1 9 . GLU . 2580 1 10 . TRP . 2580 1 11 . ILE . 2580 1 12 . TRP . 2580 1 13 . LEU . 2580 1 14 . ALA . 2580 1 15 . LEU . 2580 1 16 . GLY . 2580 1 17 . THR . 2580 1 18 . ALA . 2580 1 19 . LEU . 2580 1 20 . MET . 2580 1 21 . GLY . 2580 1 22 . LEU . 2580 1 23 . GLY . 2580 1 24 . THR . 2580 1 25 . LEU . 2580 1 26 . TYR . 2580 1 27 . PHE . 2580 1 28 . LEU . 2580 1 29 . VAL . 2580 1 30 . LYS . 2580 1 31 . GLY . 2580 1 32 . MET . 2580 1 33 . GLY . 2580 1 34 . VAL . 2580 1 35 . SER . 2580 1 36 . ASP . 2580 1 37 . PRO . 2580 1 38 . ASP . 2580 1 39 . ALA . 2580 1 40 . LYS . 2580 1 41 . LYS . 2580 1 42 . PHE . 2580 1 43 . TYR . 2580 1 44 . ALA . 2580 1 45 . ILE . 2580 1 46 . THR . 2580 1 47 . THR . 2580 1 48 . LEU . 2580 1 49 . VAL . 2580 1 50 . PRO . 2580 1 51 . ALA . 2580 1 52 . ILE . 2580 1 53 . ALA . 2580 1 54 . PHE . 2580 1 55 . THR . 2580 1 56 . MET . 2580 1 57 . TYR . 2580 1 58 . LEU . 2580 1 59 . SER . 2580 1 60 . MET . 2580 1 61 . LEU . 2580 1 62 . LEU . 2580 1 63 . GLY . 2580 1 64 . TYR . 2580 1 65 . GLY . 2580 1 66 . LEU . 2580 1 67 . THR . 2580 1 68 . MET . 2580 1 69 . VAL . 2580 1 70 . PRO . 2580 1 71 . PHE . 2580 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 . X 1 1 2580 1 . ALA 2 2 2580 1 . GLN 3 3 2580 1 . ILE 4 4 2580 1 . THR 5 5 2580 1 . GLY 6 6 2580 1 . ARG 7 7 2580 1 . PRO 8 8 2580 1 . GLU 9 9 2580 1 . TRP 10 10 2580 1 . ILE 11 11 2580 1 . TRP 12 12 2580 1 . LEU 13 13 2580 1 . ALA 14 14 2580 1 . LEU 15 15 2580 1 . GLY 16 16 2580 1 . THR 17 17 2580 1 . ALA 18 18 2580 1 . LEU 19 19 2580 1 . MET 20 20 2580 1 . GLY 21 21 2580 1 . LEU 22 22 2580 1 . GLY 23 23 2580 1 . THR 24 24 2580 1 . LEU 25 25 2580 1 . TYR 26 26 2580 1 . PHE 27 27 2580 1 . LEU 28 28 2580 1 . VAL 29 29 2580 1 . LYS 30 30 2580 1 . GLY 31 31 2580 1 . MET 32 32 2580 1 . GLY 33 33 2580 1 . VAL 34 34 2580 1 . SER 35 35 2580 1 . ASP 36 36 2580 1 . PRO 37 37 2580 1 . ASP 38 38 2580 1 . ALA 39 39 2580 1 . LYS 40 40 2580 1 . LYS 41 41 2580 1 . PHE 42 42 2580 1 . TYR 43 43 2580 1 . ALA 44 44 2580 1 . ILE 45 45 2580 1 . THR 46 46 2580 1 . THR 47 47 2580 1 . LEU 48 48 2580 1 . VAL 49 49 2580 1 . PRO 50 50 2580 1 . ALA 51 51 2580 1 . ILE 52 52 2580 1 . ALA 53 53 2580 1 . PHE 54 54 2580 1 . THR 55 55 2580 1 . MET 56 56 2580 1 . TYR 57 57 2580 1 . LEU 58 58 2580 1 . SER 59 59 2580 1 . MET 60 60 2580 1 . LEU 61 61 2580 1 . LEU 62 62 2580 1 . GLY 63 63 2580 1 . TYR 64 64 2580 1 . GLY 65 65 2580 1 . LEU 66 66 2580 1 . THR 67 67 2580 1 . MET 68 68 2580 1 . VAL 69 69 2580 1 . PRO 70 70 2580 1 . PHE 71 71 2580 1 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 2580 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $bacteriorhodopsin . 2242 organism . 'Halobacterium halobium' . . . Bacteria . Halobacterium halobium R1M1 . . . . . . . . . . . . . . . . . . . . 2580 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 2580 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $bacteriorhodopsin . 'not available' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2580 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 2580 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 . save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 2580 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 . na 2580 1 temperature 303 . K 2580 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 2580 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 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 2580 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 2580 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 2580 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_condition_set_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 2580 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 2580 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H . TMS . . . . . ppm 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 2580 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_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 2580 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 2580 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA H H 1 8.43 0.01 . 1 . . . . . . . . 2580 1 2 . 1 1 2 2 ALA HA H 1 4.4 0.01 . 1 . . . . . . . . 2580 1 3 . 1 1 2 2 ALA HB1 H 1 1.57 0.01 . 1 . . . . . . . . 2580 1 4 . 1 1 2 2 ALA HB2 H 1 1.57 0.01 . 1 . . . . . . . . 2580 1 5 . 1 1 2 2 ALA HB3 H 1 1.57 0.01 . 1 . . . . . . . . 2580 1 6 . 1 1 3 3 GLN H H 1 9.19 0.01 . 1 . . . . . . . . 2580 1 7 . 1 1 3 3 GLN HA H 1 4.33 0.01 . 1 . . . . . . . . 2580 1 8 . 1 1 3 3 GLN HB2 H 1 2.23 0.01 . 1 . . . . . . . . 2580 1 9 . 1 1 3 3 GLN HB3 H 1 2.23 0.01 . 1 . . . . . . . . 2580 1 10 . 1 1 3 3 GLN HG2 H 1 2.58 0.01 . 1 . . . . . . . . 2580 1 11 . 1 1 3 3 GLN HG3 H 1 2.58 0.01 . 1 . . . . . . . . 2580 1 12 . 1 1 3 3 GLN HE21 H 1 7.57 0.01 . 2 . . . . . . . . 2580 1 13 . 1 1 3 3 GLN HE22 H 1 6.96 0.01 . 2 . . . . . . . . 2580 1 14 . 1 1 4 4 ILE H H 1 7.87 0.01 . 1 . . . . . . . . 2580 1 15 . 1 1 4 4 ILE HA H 1 4.34 0.01 . 1 . . . . . . . . 2580 1 16 . 1 1 4 4 ILE HB H 1 2.13 0.01 . 1 . . . . . . . . 2580 1 17 . 1 1 4 4 ILE HG12 H 1 1.67 0.01 . 2 . . . . . . . . 2580 1 18 . 1 1 4 4 ILE HG13 H 1 1.41 0.01 . 2 . . . . . . . . 2580 1 19 . 1 1 4 4 ILE HG21 H 1 1.08 0.01 . 1 . . . . . . . . 2580 1 20 . 1 1 4 4 ILE HG22 H 1 1.08 0.01 . 1 . . . . . . . . 2580 1 21 . 1 1 4 4 ILE HG23 H 1 1.08 0.01 . 1 . . . . . . . . 2580 1 22 . 1 1 4 4 ILE HD11 H 1 1.05 0.01 . 1 . . . . . . . . 2580 1 23 . 1 1 4 4 ILE HD12 H 1 1.05 0.01 . 1 . . . . . . . . 2580 1 24 . 1 1 4 4 ILE HD13 H 1 1.05 0.01 . 1 . . . . . . . . 2580 1 25 . 1 1 5 5 THR H H 1 7.78 0.01 . 1 . . . . . . . . 2580 1 26 . 1 1 5 5 THR HA H 1 4.22 0.01 . 1 . . . . . . . . 2580 1 27 . 1 1 5 5 THR HB H 1 4.36 0.01 . 1 . . . . . . . . 2580 1 28 . 1 1 5 5 THR HG21 H 1 1.24 0.01 . 1 . . . . . . . . 2580 1 29 . 1 1 5 5 THR HG22 H 1 1.24 0.01 . 1 . . . . . . . . 2580 1 30 . 1 1 5 5 THR HG23 H 1 1.24 0.01 . 1 . . . . . . . . 2580 1 31 . 1 1 6 6 GLY H H 1 8.07 0.01 . 1 . . . . . . . . 2580 1 32 . 1 1 6 6 GLY HA2 H 1 4.23 0.01 . 2 . . . . . . . . 2580 1 33 . 1 1 6 6 GLY HA3 H 1 3.97 0.01 . 2 . . . . . . . . 2580 1 34 . 1 1 7 7 ARG H H 1 7.4 0.01 . 1 . . . . . . . . 2580 1 35 . 1 1 7 7 ARG HA H 1 4.69 0.01 . 1 . . . . . . . . 2580 1 36 . 1 1 7 7 ARG HB2 H 1 2.28 0.01 . 1 . . . . . . . . 2580 1 37 . 1 1 7 7 ARG HB3 H 1 2.28 0.01 . 1 . . . . . . . . 2580 1 38 . 1 1 7 7 ARG HG2 H 1 1.77 0.01 . 2 . . . . . . . . 2580 1 39 . 1 1 7 7 ARG HG3 H 1 1.73 0.01 . 2 . . . . . . . . 2580 1 40 . 1 1 7 7 ARG HD2 H 1 3.36 0.01 . 2 . . . . . . . . 2580 1 41 . 1 1 7 7 ARG HD3 H 1 3.29 0.01 . 2 . . . . . . . . 2580 1 42 . 1 1 7 7 ARG HE H 1 8.36 0.01 . 1 . . . . . . . . 2580 1 43 . 1 1 8 8 PRO HA H 1 4.38 0.01 . 1 . . . . . . . . 2580 1 44 . 1 1 8 8 PRO HB2 H 1 2.37 0.01 . 2 . . . . . . . . 2580 1 45 . 1 1 8 8 PRO HB3 H 1 1.93 0.01 . 2 . . . . . . . . 2580 1 46 . 1 1 8 8 PRO HG2 H 1 2.14 0.01 . 1 . . . . . . . . 2580 1 47 . 1 1 8 8 PRO HG3 H 1 2.14 0.01 . 1 . . . . . . . . 2580 1 48 . 1 1 8 8 PRO HD2 H 1 3.97 0.01 . 1 . . . . . . . . 2580 1 49 . 1 1 8 8 PRO HD3 H 1 3.97 0.01 . 1 . . . . . . . . 2580 1 50 . 1 1 9 9 GLU H H 1 10.05 0.01 . 1 . . . . . . . . 2580 1 51 . 1 1 9 9 GLU HA H 1 4.08 0.01 . 1 . . . . . . . . 2580 1 52 . 1 1 9 9 GLU HB2 H 1 2.15 0.01 . 2 . . . . . . . . 2580 1 53 . 1 1 9 9 GLU HB3 H 1 2.05 0.01 . 2 . . . . . . . . 2580 1 54 . 1 1 9 9 GLU HG2 H 1 2.59 0.01 . 2 . . . . . . . . 2580 1 55 . 1 1 9 9 GLU HG3 H 1 2.42 0.01 . 2 . . . . . . . . 2580 1 56 . 1 1 10 10 TRP H H 1 7.63 0.01 . 1 . . . . . . . . 2580 1 57 . 1 1 10 10 TRP HA H 1 4.63 0.01 . 1 . . . . . . . . 2580 1 58 . 1 1 10 10 TRP HB2 H 1 3.58 0.01 . 2 . . . . . . . . 2580 1 59 . 1 1 10 10 TRP HB3 H 1 3.51 0.01 . 2 . . . . . . . . 2580 1 60 . 1 1 10 10 TRP HD1 H 1 7.47 0.01 . 1 . . . . . . . . 2580 1 61 . 1 1 10 10 TRP HE1 H 1 10.2 0.01 . 1 . . . . . . . . 2580 1 62 . 1 1 10 10 TRP HE3 H 1 7.72 0.01 . 1 . . . . . . . . 2580 1 63 . 1 1 10 10 TRP HZ2 H 1 7.52 0.01 . 1 . . . . . . . . 2580 1 64 . 1 1 10 10 TRP HZ3 H 1 7.18 0.01 . 1 . . . . . . . . 2580 1 65 . 1 1 10 10 TRP HH2 H 1 7.28 0.01 . 1 . . . . . . . . 2580 1 66 . 1 1 11 11 ILE H H 1 7.7 0.01 . 1 . . . . . . . . 2580 1 67 . 1 1 11 11 ILE HA H 1 3.83 0.01 . 1 . . . . . . . . 2580 1 68 . 1 1 11 11 ILE HB H 1 2.05 0.01 . 1 . . . . . . . . 2580 1 69 . 1 1 11 11 ILE HG12 H 1 1.69 0.01 . 2 . . . . . . . . 2580 1 70 . 1 1 11 11 ILE HG13 H 1 1.27 0.01 . 2 . . . . . . . . 2580 1 71 . 1 1 11 11 ILE HG21 H 1 .93 0.01 . 1 . . . . . . . . 2580 1 72 . 1 1 11 11 ILE HG22 H 1 .93 0.01 . 1 . . . . . . . . 2580 1 73 . 1 1 11 11 ILE HG23 H 1 .93 0.01 . 1 . . . . . . . . 2580 1 74 . 1 1 11 11 ILE HD11 H 1 1 0.01 . 1 . . . . . . . . 2580 1 75 . 1 1 11 11 ILE HD12 H 1 1 0.01 . 1 . . . . . . . . 2580 1 76 . 1 1 11 11 ILE HD13 H 1 1 0.01 . 1 . . . . . . . . 2580 1 77 . 1 1 12 12 TRP H H 1 7.86 0.01 . 1 . . . . . . . . 2580 1 78 . 1 1 12 12 TRP HA H 1 4.57 0.01 . 1 . . . . . . . . 2580 1 79 . 1 1 12 12 TRP HB2 H 1 3.54 0.01 . 2 . . . . . . . . 2580 1 80 . 1 1 12 12 TRP HB3 H 1 3.48 0.01 . 2 . . . . . . . . 2580 1 81 . 1 1 12 12 TRP HD1 H 1 7.25 0.01 . 1 . . . . . . . . 2580 1 82 . 1 1 12 12 TRP HE1 H 1 10.18 0.01 . 1 . . . . . . . . 2580 1 83 . 1 1 12 12 TRP HE3 H 1 7.72 0.01 . 1 . . . . . . . . 2580 1 84 . 1 1 12 12 TRP HZ2 H 1 7.52 0.01 . 1 . . . . . . . . 2580 1 85 . 1 1 12 12 TRP HZ3 H 1 7.18 0.01 . 1 . . . . . . . . 2580 1 86 . 1 1 12 12 TRP HH2 H 1 7.28 0.01 . 1 . . . . . . . . 2580 1 87 . 1 1 13 13 LEU H H 1 8.19 0.01 . 1 . . . . . . . . 2580 1 88 . 1 1 13 13 LEU HA H 1 4.29 0.01 . 1 . . . . . . . . 2580 1 89 . 1 1 13 13 LEU HB2 H 1 2.04 0.01 . 2 . . . . . . . . 2580 1 90 . 1 1 13 13 LEU HB3 H 1 1.92 0.01 . 2 . . . . . . . . 2580 1 91 . 1 1 13 13 LEU HD11 H 1 1.1 0.01 . 1 . . . . . . . . 2580 1 92 . 1 1 13 13 LEU HD12 H 1 1.1 0.01 . 1 . . . . . . . . 2580 1 93 . 1 1 13 13 LEU HD13 H 1 1.1 0.01 . 1 . . . . . . . . 2580 1 94 . 1 1 13 13 LEU HD21 H 1 1.1 0.01 . 1 . . . . . . . . 2580 1 95 . 1 1 13 13 LEU HD22 H 1 1.1 0.01 . 1 . . . . . . . . 2580 1 96 . 1 1 13 13 LEU HD23 H 1 1.1 0.01 . 1 . . . . . . . . 2580 1 97 . 1 1 14 14 ALA H H 1 8.52 0.01 . 1 . . . . . . . . 2580 1 98 . 1 1 14 14 ALA HA H 1 4.21 0.01 . 1 . . . . . . . . 2580 1 99 . 1 1 14 14 ALA HB1 H 1 1.66 0.01 . 1 . . . . . . . . 2580 1 100 . 1 1 14 14 ALA HB2 H 1 1.66 0.01 . 1 . . . . . . . . 2580 1 101 . 1 1 14 14 ALA HB3 H 1 1.66 0.01 . 1 . . . . . . . . 2580 1 102 . 1 1 15 15 LEU H H 1 8.63 0.01 . 1 . . . . . . . . 2580 1 103 . 1 1 15 15 LEU HA H 1 4.24 0.01 . 1 . . . . . . . . 2580 1 104 . 1 1 15 15 LEU HB2 H 1 2 0.01 . 2 . . . . . . . . 2580 1 105 . 1 1 15 15 LEU HB3 H 1 1.86 0.01 . 2 . . . . . . . . 2580 1 106 . 1 1 16 16 GLY H H 1 8.79 0.01 . 1 . . . . . . . . 2580 1 107 . 1 1 16 16 GLY HA2 H 1 3.96 0.01 . 2 . . . . . . . . 2580 1 108 . 1 1 16 16 GLY HA3 H 1 3.92 0.01 . 2 . . . . . . . . 2580 1 109 . 1 1 17 17 THR H H 1 8.3 0.01 . 1 . . . . . . . . 2580 1 110 . 1 1 17 17 THR HA H 1 4.06 0.01 . 1 . . . . . . . . 2580 1 111 . 1 1 17 17 THR HB H 1 4.49 0.01 . 1 . . . . . . . . 2580 1 112 . 1 1 17 17 THR HG1 H 1 5.09 0.01 . 1 . . . . . . . . 2580 1 113 . 1 1 17 17 THR HG21 H 1 1.32 0.01 . 1 . . . . . . . . 2580 1 114 . 1 1 17 17 THR HG22 H 1 1.32 0.01 . 1 . . . . . . . . 2580 1 115 . 1 1 17 17 THR HG23 H 1 1.32 0.01 . 1 . . . . . . . . 2580 1 116 . 1 1 18 18 ALA H H 1 8.26 0.01 . 1 . . . . . . . . 2580 1 117 . 1 1 18 18 ALA HA H 1 4.29 0.01 . 1 . . . . . . . . 2580 1 118 . 1 1 18 18 ALA HB1 H 1 1.75 0.01 . 1 . . . . . . . . 2580 1 119 . 1 1 18 18 ALA HB2 H 1 1.75 0.01 . 1 . . . . . . . . 2580 1 120 . 1 1 18 18 ALA HB3 H 1 1.75 0.01 . 1 . . . . . . . . 2580 1 121 . 1 1 19 19 LEU H H 1 8.56 0.01 . 1 . . . . . . . . 2580 1 122 . 1 1 19 19 LEU HA H 1 4.22 0.01 . 1 . . . . . . . . 2580 1 123 . 1 1 19 19 LEU HB2 H 1 2.12 0.01 . 2 . . . . . . . . 2580 1 124 . 1 1 19 19 LEU HB3 H 1 1.8 0.01 . 2 . . . . . . . . 2580 1 125 . 1 1 19 19 LEU HD11 H 1 1.1 0.01 . 1 . . . . . . . . 2580 1 126 . 1 1 19 19 LEU HD12 H 1 1.1 0.01 . 1 . . . . . . . . 2580 1 127 . 1 1 19 19 LEU HD13 H 1 1.1 0.01 . 1 . . . . . . . . 2580 1 128 . 1 1 19 19 LEU HD21 H 1 1.1 0.01 . 1 . . . . . . . . 2580 1 129 . 1 1 19 19 LEU HD22 H 1 1.1 0.01 . 1 . . . . . . . . 2580 1 130 . 1 1 19 19 LEU HD23 H 1 1.1 0.01 . 1 . . . . . . . . 2580 1 131 . 1 1 20 20 MET H H 1 8.46 0.01 . 1 . . . . . . . . 2580 1 132 . 1 1 20 20 MET HA H 1 4.44 0.01 . 1 . . . . . . . . 2580 1 133 . 1 1 20 20 MET HB2 H 1 2.46 0.01 . 2 . . . . . . . . 2580 1 134 . 1 1 20 20 MET HB3 H 1 2.32 0.01 . 2 . . . . . . . . 2580 1 135 . 1 1 20 20 MET HG2 H 1 2.87 0.01 . 2 . . . . . . . . 2580 1 136 . 1 1 20 20 MET HG3 H 1 2.76 0.01 . 2 . . . . . . . . 2580 1 137 . 1 1 21 21 GLY H H 1 8.85 0.01 . 1 . . . . . . . . 2580 1 138 . 1 1 21 21 GLY HA2 H 1 4.06 0.01 . 1 . . . . . . . . 2580 1 139 . 1 1 21 21 GLY HA3 H 1 4.06 0.01 . 1 . . . . . . . . 2580 1 140 . 1 1 22 22 LEU H H 1 8.69 0.01 . 1 . . . . . . . . 2580 1 141 . 1 1 22 22 LEU HA H 1 4.29 0.01 . 1 . . . . . . . . 2580 1 142 . 1 1 22 22 LEU HB2 H 1 2.06 0.01 . 2 . . . . . . . . 2580 1 143 . 1 1 22 22 LEU HB3 H 1 1.88 0.01 . 2 . . . . . . . . 2580 1 144 . 1 1 22 22 LEU HD11 H 1 1.1 0.01 . 1 . . . . . . . . 2580 1 145 . 1 1 22 22 LEU HD12 H 1 1.1 0.01 . 1 . . . . . . . . 2580 1 146 . 1 1 22 22 LEU HD13 H 1 1.1 0.01 . 1 . . . . . . . . 2580 1 147 . 1 1 22 22 LEU HD21 H 1 1.1 0.01 . 1 . . . . . . . . 2580 1 148 . 1 1 22 22 LEU HD22 H 1 1.1 0.01 . 1 . . . . . . . . 2580 1 149 . 1 1 22 22 LEU HD23 H 1 1.1 0.01 . 1 . . . . . . . . 2580 1 150 . 1 1 23 23 GLY H H 1 8.8 0.01 . 1 . . . . . . . . 2580 1 151 . 1 1 23 23 GLY HA2 H 1 4.03 0.01 . 1 . . . . . . . . 2580 1 152 . 1 1 23 23 GLY HA3 H 1 4.03 0.01 . 1 . . . . . . . . 2580 1 153 . 1 1 24 24 THR H H 1 8.23 0.01 . 1 . . . . . . . . 2580 1 154 . 1 1 24 24 THR HA H 1 4.21 0.01 . 1 . . . . . . . . 2580 1 155 . 1 1 24 24 THR HB H 1 4.6 0.01 . 1 . . . . . . . . 2580 1 156 . 1 1 24 24 THR HG21 H 1 1.48 0.01 . 1 . . . . . . . . 2580 1 157 . 1 1 24 24 THR HG22 H 1 1.48 0.01 . 1 . . . . . . . . 2580 1 158 . 1 1 24 24 THR HG23 H 1 1.48 0.01 . 1 . . . . . . . . 2580 1 159 . 1 1 25 25 LEU H H 1 8.19 0.01 . 1 . . . . . . . . 2580 1 160 . 1 1 25 25 LEU HA H 1 4.28 0.01 . 1 . . . . . . . . 2580 1 161 . 1 1 25 25 LEU HB2 H 1 1.67 0.01 . 2 . . . . . . . . 2580 1 162 . 1 1 25 25 LEU HB3 H 1 2.04 0.01 . 2 . . . . . . . . 2580 1 163 . 1 1 26 26 TYR H H 1 8.52 0.01 . 1 . . . . . . . . 2580 1 164 . 1 1 26 26 TYR HA H 1 4.21 0.01 . 1 . . . . . . . . 2580 1 165 . 1 1 26 26 TYR HB2 H 1 3.3 0.01 . 1 . . . . . . . . 2580 1 166 . 1 1 26 26 TYR HB3 H 1 3.3 0.01 . 1 . . . . . . . . 2580 1 167 . 1 1 26 26 TYR HD1 H 1 6.98 0.01 . 1 . . . . . . . . 2580 1 168 . 1 1 26 26 TYR HD2 H 1 6.98 0.01 . 1 . . . . . . . . 2580 1 169 . 1 1 26 26 TYR HE1 H 1 6.78 0.01 . 1 . . . . . . . . 2580 1 170 . 1 1 26 26 TYR HE2 H 1 6.78 0.01 . 1 . . . . . . . . 2580 1 171 . 1 1 27 27 PHE H H 1 8.31 0.01 . 1 . . . . . . . . 2580 1 172 . 1 1 27 27 PHE HA H 1 4.22 0.01 . 1 . . . . . . . . 2580 1 173 . 1 1 27 27 PHE HB2 H 1 3.46 0.01 . 2 . . . . . . . . 2580 1 174 . 1 1 27 27 PHE HB3 H 1 3.41 0.01 . 2 . . . . . . . . 2580 1 175 . 1 1 27 27 PHE HD1 H 1 7.5 0.01 . 1 . . . . . . . . 2580 1 176 . 1 1 27 27 PHE HD2 H 1 7.5 0.01 . 1 . . . . . . . . 2580 1 177 . 1 1 27 27 PHE HE1 H 1 7.41 0.01 . 1 . . . . . . . . 2580 1 178 . 1 1 27 27 PHE HE2 H 1 7.41 0.01 . 1 . . . . . . . . 2580 1 179 . 1 1 28 28 LEU H H 1 8.52 0.01 . 1 . . . . . . . . 2580 1 180 . 1 1 28 28 LEU HA H 1 4.21 0.01 . 1 . . . . . . . . 2580 1 181 . 1 1 28 28 LEU HB2 H 1 1.82 0.01 . 2 . . . . . . . . 2580 1 182 . 1 1 28 28 LEU HB3 H 1 2.08 0.01 . 2 . . . . . . . . 2580 1 183 . 1 1 29 29 VAL H H 1 8.59 0.01 . 1 . . . . . . . . 2580 1 184 . 1 1 29 29 VAL HA H 1 3.83 0.01 . 1 . . . . . . . . 2580 1 185 . 1 1 29 29 VAL HB H 1 2.27 0.01 . 1 . . . . . . . . 2580 1 186 . 1 1 29 29 VAL HG11 H 1 1.22 0.01 . 2 . . . . . . . . 2580 1 187 . 1 1 29 29 VAL HG12 H 1 1.22 0.01 . 2 . . . . . . . . 2580 1 188 . 1 1 29 29 VAL HG13 H 1 1.22 0.01 . 2 . . . . . . . . 2580 1 189 . 1 1 29 29 VAL HG21 H 1 1.09 0.01 . 2 . . . . . . . . 2580 1 190 . 1 1 29 29 VAL HG22 H 1 1.09 0.01 . 2 . . . . . . . . 2580 1 191 . 1 1 29 29 VAL HG23 H 1 1.09 0.01 . 2 . . . . . . . . 2580 1 192 . 1 1 30 30 LYS H H 1 8.34 0.01 . 1 . . . . . . . . 2580 1 193 . 1 1 30 30 LYS HA H 1 4.12 0.01 . 1 . . . . . . . . 2580 1 194 . 1 1 30 30 LYS HB2 H 1 1.78 0.01 . 1 . . . . . . . . 2580 1 195 . 1 1 30 30 LYS HB3 H 1 1.78 0.01 . 1 . . . . . . . . 2580 1 196 . 1 1 30 30 LYS HG2 H 1 1.39 0.01 . 1 . . . . . . . . 2580 1 197 . 1 1 30 30 LYS HG3 H 1 1.39 0.01 . 1 . . . . . . . . 2580 1 198 . 1 1 30 30 LYS HD2 H 1 1.65 0.01 . 1 . . . . . . . . 2580 1 199 . 1 1 30 30 LYS HD3 H 1 1.65 0.01 . 1 . . . . . . . . 2580 1 200 . 1 1 30 30 LYS HE2 H 1 2.99 0.01 . 2 . . . . . . . . 2580 1 201 . 1 1 30 30 LYS HE3 H 1 2.93 0.01 . 2 . . . . . . . . 2580 1 202 . 1 1 31 31 GLY H H 1 8.4 0.01 . 1 . . . . . . . . 2580 1 203 . 1 1 31 31 GLY HA2 H 1 3.96 0.01 . 2 . . . . . . . . 2580 1 204 . 1 1 31 31 GLY HA3 H 1 3.9 0.01 . 2 . . . . . . . . 2580 1 205 . 1 1 32 32 MET H H 1 8.27 0.01 . 1 . . . . . . . . 2580 1 206 . 1 1 32 32 MET HA H 1 4.42 0.01 . 1 . . . . . . . . 2580 1 207 . 1 1 32 32 MET HB2 H 1 2.4 0.01 . 2 . . . . . . . . 2580 1 208 . 1 1 32 32 MET HB3 H 1 2.29 0.01 . 2 . . . . . . . . 2580 1 209 . 1 1 32 32 MET HG2 H 1 2.9 0.01 . 2 . . . . . . . . 2580 1 210 . 1 1 32 32 MET HG3 H 1 2.71 0.01 . 2 . . . . . . . . 2580 1 211 . 1 1 33 33 GLY H H 1 8.26 0.01 . 1 . . . . . . . . 2580 1 212 . 1 1 33 33 GLY HA2 H 1 4.04 0.01 . 1 . . . . . . . . 2580 1 213 . 1 1 33 33 GLY HA3 H 1 4.04 0.01 . 1 . . . . . . . . 2580 1 214 . 1 1 34 34 VAL H H 1 7.89 0.01 . 1 . . . . . . . . 2580 1 215 . 1 1 34 34 VAL HA H 1 4.21 0.01 . 1 . . . . . . . . 2580 1 216 . 1 1 34 34 VAL HB H 1 2.37 0.01 . 1 . . . . . . . . 2580 1 217 . 1 1 34 34 VAL HG11 H 1 1.16 0.01 . 2 . . . . . . . . 2580 1 218 . 1 1 34 34 VAL HG12 H 1 1.16 0.01 . 2 . . . . . . . . 2580 1 219 . 1 1 34 34 VAL HG13 H 1 1.16 0.01 . 2 . . . . . . . . 2580 1 220 . 1 1 34 34 VAL HG21 H 1 1.13 0.01 . 2 . . . . . . . . 2580 1 221 . 1 1 34 34 VAL HG22 H 1 1.13 0.01 . 2 . . . . . . . . 2580 1 222 . 1 1 34 34 VAL HG23 H 1 1.13 0.01 . 2 . . . . . . . . 2580 1 223 . 1 1 35 35 SER H H 1 7.89 0.01 . 1 . . . . . . . . 2580 1 224 . 1 1 35 35 SER HA H 1 4.55 0.01 . 1 . . . . . . . . 2580 1 225 . 1 1 35 35 SER HB2 H 1 4.12 0.01 . 2 . . . . . . . . 2580 1 226 . 1 1 35 35 SER HB3 H 1 3.95 0.01 . 2 . . . . . . . . 2580 1 227 . 1 1 36 36 ASP H H 1 8.02 0.01 . 1 . . . . . . . . 2580 1 228 . 1 1 36 36 ASP HA H 1 5.04 0.01 . 1 . . . . . . . . 2580 1 229 . 1 1 36 36 ASP HB2 H 1 3.11 0.01 . 2 . . . . . . . . 2580 1 230 . 1 1 36 36 ASP HB3 H 1 2.94 0.01 . 2 . . . . . . . . 2580 1 231 . 1 1 37 37 PRO HA H 1 4.49 0.01 . 1 . . . . . . . . 2580 1 232 . 1 1 37 37 PRO HB2 H 1 2.53 0.01 . 2 . . . . . . . . 2580 1 233 . 1 1 37 37 PRO HB3 H 1 2.15 0.01 . 2 . . . . . . . . 2580 1 234 . 1 1 37 37 PRO HG2 H 1 2.15 0.01 . 1 . . . . . . . . 2580 1 235 . 1 1 37 37 PRO HG3 H 1 2.15 0.01 . 1 . . . . . . . . 2580 1 236 . 1 1 37 37 PRO HD2 H 1 4.18 0.01 . 2 . . . . . . . . 2580 1 237 . 1 1 37 37 PRO HD3 H 1 4.09 0.01 . 2 . . . . . . . . 2580 1 238 . 1 1 38 38 ASP H H 1 8.13 0.01 . 1 . . . . . . . . 2580 1 239 . 1 1 38 38 ASP HA H 1 4.65 0.01 . 1 . . . . . . . . 2580 1 240 . 1 1 38 38 ASP HB2 H 1 2.98 0.01 . 2 . . . . . . . . 2580 1 241 . 1 1 38 38 ASP HB3 H 1 2.8 0.01 . 2 . . . . . . . . 2580 1 242 . 1 1 39 39 ALA H H 1 8.19 0.01 . 1 . . . . . . . . 2580 1 243 . 1 1 39 39 ALA HA H 1 4.29 0.01 . 1 . . . . . . . . 2580 1 244 . 1 1 39 39 ALA HB1 H 1 1.74 0.01 . 1 . . . . . . . . 2580 1 245 . 1 1 39 39 ALA HB2 H 1 1.74 0.01 . 1 . . . . . . . . 2580 1 246 . 1 1 39 39 ALA HB3 H 1 1.74 0.01 . 1 . . . . . . . . 2580 1 247 . 1 1 40 40 LYS H H 1 8.12 0.01 . 1 . . . . . . . . 2580 1 248 . 1 1 40 40 LYS HA H 1 4.21 0.01 . 1 . . . . . . . . 2580 1 249 . 1 1 40 40 LYS HB2 H 1 2.21 0.01 . 2 . . . . . . . . 2580 1 250 . 1 1 40 40 LYS HB3 H 1 2.06 0.01 . 2 . . . . . . . . 2580 1 251 . 1 1 40 40 LYS HG2 H 1 1.67 0.01 . 1 . . . . . . . . 2580 1 252 . 1 1 40 40 LYS HG3 H 1 1.67 0.01 . 1 . . . . . . . . 2580 1 253 . 1 1 40 40 LYS HD2 H 1 1.89 0.01 . 1 . . . . . . . . 2580 1 254 . 1 1 40 40 LYS HD3 H 1 1.89 0.01 . 1 . . . . . . . . 2580 1 255 . 1 1 40 40 LYS HE2 H 1 3.15 0.01 . 1 . . . . . . . . 2580 1 256 . 1 1 40 40 LYS HE3 H 1 3.15 0.01 . 1 . . . . . . . . 2580 1 257 . 1 1 41 41 LYS H H 1 8.15 0.01 . 1 . . . . . . . . 2580 1 258 . 1 1 41 41 LYS HA H 1 4.17 0.01 . 1 . . . . . . . . 2580 1 259 . 1 1 41 41 LYS HB2 H 1 2.17 0.01 . 2 . . . . . . . . 2580 1 260 . 1 1 41 41 LYS HB3 H 1 2.05 0.01 . 2 . . . . . . . . 2580 1 261 . 1 1 41 41 LYS HG2 H 1 1.61 0.01 . 1 . . . . . . . . 2580 1 262 . 1 1 41 41 LYS HG3 H 1 1.61 0.01 . 1 . . . . . . . . 2580 1 263 . 1 1 41 41 LYS HD2 H 1 1.92 0.01 . 2 . . . . . . . . 2580 1 264 . 1 1 41 41 LYS HD3 H 1 1.87 0.01 . 2 . . . . . . . . 2580 1 265 . 1 1 41 41 LYS HE2 H 1 3.09 0.01 . 2 . . . . . . . . 2580 1 266 . 1 1 41 41 LYS HE3 H 1 3.06 0.01 . 2 . . . . . . . . 2580 1 267 . 1 1 42 42 PHE H H 1 8.24 0.01 . 1 . . . . . . . . 2580 1 268 . 1 1 42 42 PHE HA H 1 4.35 0.01 . 1 . . . . . . . . 2580 1 269 . 1 1 42 42 PHE HB2 H 1 3.36 0.01 . 1 . . . . . . . . 2580 1 270 . 1 1 42 42 PHE HB3 H 1 3.36 0.01 . 1 . . . . . . . . 2580 1 271 . 1 1 42 42 PHE HD1 H 1 7.25 0.01 . 1 . . . . . . . . 2580 1 272 . 1 1 42 42 PHE HD2 H 1 7.25 0.01 . 1 . . . . . . . . 2580 1 273 . 1 1 43 43 TYR H H 1 8.65 0.01 . 1 . . . . . . . . 2580 1 274 . 1 1 43 43 TYR HA H 1 4.26 0.01 . 1 . . . . . . . . 2580 1 275 . 1 1 43 43 TYR HB2 H 1 3.33 0.01 . 1 . . . . . . . . 2580 1 276 . 1 1 43 43 TYR HB3 H 1 3.33 0.01 . 1 . . . . . . . . 2580 1 277 . 1 1 43 43 TYR HD1 H 1 7.26 0.01 . 1 . . . . . . . . 2580 1 278 . 1 1 43 43 TYR HD2 H 1 7.26 0.01 . 1 . . . . . . . . 2580 1 279 . 1 1 43 43 TYR HE1 H 1 6.91 0.01 . 1 . . . . . . . . 2580 1 280 . 1 1 43 43 TYR HE2 H 1 6.91 0.01 . 1 . . . . . . . . 2580 1 281 . 1 1 44 44 ALA H H 1 8.59 0.01 . 1 . . . . . . . . 2580 1 282 . 1 1 44 44 ALA HA H 1 4.19 0.01 . 1 . . . . . . . . 2580 1 283 . 1 1 44 44 ALA HB1 H 1 1.67 0.01 . 1 . . . . . . . . 2580 1 284 . 1 1 44 44 ALA HB2 H 1 1.67 0.01 . 1 . . . . . . . . 2580 1 285 . 1 1 44 44 ALA HB3 H 1 1.67 0.01 . 1 . . . . . . . . 2580 1 286 . 1 1 45 45 ILE H H 1 8.37 0.01 . 1 . . . . . . . . 2580 1 287 . 1 1 45 45 ILE HA H 1 3.93 0.01 . 1 . . . . . . . . 2580 1 288 . 1 1 45 45 ILE HB H 1 2.05 0.01 . 1 . . . . . . . . 2580 1 289 . 1 1 45 45 ILE HG12 H 1 1.89 0.01 . 2 . . . . . . . . 2580 1 290 . 1 1 45 45 ILE HG13 H 1 1.43 0.01 . 2 . . . . . . . . 2580 1 291 . 1 1 45 45 ILE HG21 H 1 1.09 0.01 . 1 . . . . . . . . 2580 1 292 . 1 1 45 45 ILE HG22 H 1 1.09 0.01 . 1 . . . . . . . . 2580 1 293 . 1 1 45 45 ILE HG23 H 1 1.09 0.01 . 1 . . . . . . . . 2580 1 294 . 1 1 45 45 ILE HD11 H 1 1.02 0.01 . 1 . . . . . . . . 2580 1 295 . 1 1 45 45 ILE HD12 H 1 1.02 0.01 . 1 . . . . . . . . 2580 1 296 . 1 1 45 45 ILE HD13 H 1 1.02 0.01 . 1 . . . . . . . . 2580 1 297 . 1 1 46 46 THR H H 1 7.84 0.01 . 1 . . . . . . . . 2580 1 298 . 1 1 46 46 THR HA H 1 4.08 0.01 . 1 . . . . . . . . 2580 1 299 . 1 1 46 46 THR HB H 1 4.2 0.01 . 1 . . . . . . . . 2580 1 300 . 1 1 46 46 THR HG21 H 1 1.12 0.01 . 1 . . . . . . . . 2580 1 301 . 1 1 46 46 THR HG22 H 1 1.12 0.01 . 1 . . . . . . . . 2580 1 302 . 1 1 46 46 THR HG23 H 1 1.12 0.01 . 1 . . . . . . . . 2580 1 303 . 1 1 47 47 THR H H 1 7.61 0.01 . 1 . . . . . . . . 2580 1 304 . 1 1 47 47 THR HA H 1 4.39 0.01 . 1 . . . . . . . . 2580 1 305 . 1 1 47 47 THR HB H 1 4.15 0.01 . 1 . . . . . . . . 2580 1 306 . 1 1 47 47 THR HG1 H 1 4.62 0.01 . 1 . . . . . . . . 2580 1 307 . 1 1 47 47 THR HG21 H 1 1.27 0.01 . 1 . . . . . . . . 2580 1 308 . 1 1 47 47 THR HG22 H 1 1.27 0.01 . 1 . . . . . . . . 2580 1 309 . 1 1 47 47 THR HG23 H 1 1.27 0.01 . 1 . . . . . . . . 2580 1 310 . 1 1 48 48 LEU H H 1 7.89 0.01 . 1 . . . . . . . . 2580 1 311 . 1 1 48 48 LEU HA H 1 4.38 0.01 . 1 . . . . . . . . 2580 1 312 . 1 1 48 48 LEU HB2 H 1 1.84 0.01 . 2 . . . . . . . . 2580 1 313 . 1 1 48 48 LEU HB3 H 1 2.03 0.01 . 2 . . . . . . . . 2580 1 314 . 1 1 48 48 LEU HD11 H 1 1.14 0.01 . 1 . . . . . . . . 2580 1 315 . 1 1 48 48 LEU HD12 H 1 1.14 0.01 . 1 . . . . . . . . 2580 1 316 . 1 1 48 48 LEU HD13 H 1 1.14 0.01 . 1 . . . . . . . . 2580 1 317 . 1 1 48 48 LEU HD21 H 1 1.14 0.01 . 1 . . . . . . . . 2580 1 318 . 1 1 48 48 LEU HD22 H 1 1.14 0.01 . 1 . . . . . . . . 2580 1 319 . 1 1 48 48 LEU HD23 H 1 1.14 0.01 . 1 . . . . . . . . 2580 1 320 . 1 1 49 49 VAL H H 1 8.17 0.01 . 1 . . . . . . . . 2580 1 321 . 1 1 49 49 VAL HA H 1 3.94 0.01 . 1 . . . . . . . . 2580 1 322 . 1 1 49 49 VAL HB H 1 2.55 0.01 . 1 . . . . . . . . 2580 1 323 . 1 1 49 49 VAL HG11 H 1 1.28 0.01 . 2 . . . . . . . . 2580 1 324 . 1 1 49 49 VAL HG12 H 1 1.28 0.01 . 2 . . . . . . . . 2580 1 325 . 1 1 49 49 VAL HG13 H 1 1.28 0.01 . 2 . . . . . . . . 2580 1 326 . 1 1 49 49 VAL HG21 H 1 1.12 0.01 . 2 . . . . . . . . 2580 1 327 . 1 1 49 49 VAL HG22 H 1 1.12 0.01 . 2 . . . . . . . . 2580 1 328 . 1 1 49 49 VAL HG23 H 1 1.12 0.01 . 2 . . . . . . . . 2580 1 329 . 1 1 50 50 PRO HA H 1 4.38 0.01 . 1 . . . . . . . . 2580 1 330 . 1 1 50 50 PRO HB2 H 1 2.02 0.01 . 1 . . . . . . . . 2580 1 331 . 1 1 50 50 PRO HB3 H 1 2.02 0.01 . 1 . . . . . . . . 2580 1 332 . 1 1 50 50 PRO HG2 H 1 2.38 0.01 . 1 . . . . . . . . 2580 1 333 . 1 1 50 50 PRO HG3 H 1 2.38 0.01 . 1 . . . . . . . . 2580 1 334 . 1 1 50 50 PRO HD2 H 1 3.76 0.01 . 2 . . . . . . . . 2580 1 335 . 1 1 50 50 PRO HD3 H 1 3.71 0.01 . 2 . . . . . . . . 2580 1 336 . 1 1 51 51 ALA H H 1 7.47 0.01 . 1 . . . . . . . . 2580 1 337 . 1 1 51 51 ALA HA H 1 4.37 0.01 . 1 . . . . . . . . 2580 1 338 . 1 1 51 51 ALA HB1 H 1 1.76 0.01 . 1 . . . . . . . . 2580 1 339 . 1 1 51 51 ALA HB2 H 1 1.76 0.01 . 1 . . . . . . . . 2580 1 340 . 1 1 51 51 ALA HB3 H 1 1.76 0.01 . 1 . . . . . . . . 2580 1 341 . 1 1 52 52 ILE H H 1 8.66 0.01 . 1 . . . . . . . . 2580 1 342 . 1 1 52 52 ILE HA H 1 3.97 0.01 . 1 . . . . . . . . 2580 1 343 . 1 1 52 52 ILE HB H 1 2.22 0.01 . 1 . . . . . . . . 2580 1 344 . 1 1 52 52 ILE HG21 H 1 1.13 0.01 . 1 . . . . . . . . 2580 1 345 . 1 1 52 52 ILE HG22 H 1 1.13 0.01 . 1 . . . . . . . . 2580 1 346 . 1 1 52 52 ILE HG23 H 1 1.13 0.01 . 1 . . . . . . . . 2580 1 347 . 1 1 53 53 ALA H H 1 8.71 0.01 . 1 . . . . . . . . 2580 1 348 . 1 1 53 53 ALA HA H 1 4.21 0.01 . 1 . . . . . . . . 2580 1 349 . 1 1 53 53 ALA HB1 H 1 1.66 0.01 . 1 . . . . . . . . 2580 1 350 . 1 1 53 53 ALA HB2 H 1 1.66 0.01 . 1 . . . . . . . . 2580 1 351 . 1 1 53 53 ALA HB3 H 1 1.66 0.01 . 1 . . . . . . . . 2580 1 352 . 1 1 54 54 PHE H H 1 8.89 0.01 . 1 . . . . . . . . 2580 1 353 . 1 1 54 54 PHE HA H 1 4.53 0.01 . 1 . . . . . . . . 2580 1 354 . 1 1 54 54 PHE HB2 H 1 3.51 0.01 . 2 . . . . . . . . 2580 1 355 . 1 1 54 54 PHE HB3 H 1 3.37 0.01 . 2 . . . . . . . . 2580 1 356 . 1 1 54 54 PHE HD1 H 1 7.43 0.01 . 1 . . . . . . . . 2580 1 357 . 1 1 54 54 PHE HD2 H 1 7.43 0.01 . 1 . . . . . . . . 2580 1 358 . 1 1 55 55 THR H H 1 8.27 0.01 . 1 . . . . . . . . 2580 1 359 . 1 1 55 55 THR HA H 1 3.97 0.01 . 1 . . . . . . . . 2580 1 360 . 1 1 55 55 THR HB H 1 4.57 0.01 . 1 . . . . . . . . 2580 1 361 . 1 1 55 55 THR HG1 H 1 5.31 0.01 . 1 . . . . . . . . 2580 1 362 . 1 1 55 55 THR HG21 H 1 1.47 0.01 . 1 . . . . . . . . 2580 1 363 . 1 1 55 55 THR HG22 H 1 1.47 0.01 . 1 . . . . . . . . 2580 1 364 . 1 1 55 55 THR HG23 H 1 1.47 0.01 . 1 . . . . . . . . 2580 1 365 . 1 1 56 56 MET H H 1 8.79 0.01 . 1 . . . . . . . . 2580 1 366 . 1 1 56 56 MET HA H 1 4.27 0.01 . 1 . . . . . . . . 2580 1 367 . 1 1 56 56 MET HB2 H 1 2.47 0.01 . 2 . . . . . . . . 2580 1 368 . 1 1 56 56 MET HB3 H 1 2.31 0.01 . 2 . . . . . . . . 2580 1 369 . 1 1 56 56 MET HG2 H 1 2.9 0.01 . 2 . . . . . . . . 2580 1 370 . 1 1 56 56 MET HG3 H 1 2.7 0.01 . 2 . . . . . . . . 2580 1 371 . 1 1 57 57 TYR H H 1 8.53 0.01 . 1 . . . . . . . . 2580 1 372 . 1 1 57 57 TYR HA H 1 4.38 0.01 . 1 . . . . . . . . 2580 1 373 . 1 1 57 57 TYR HB2 H 1 2.32 0.01 . 1 . . . . . . . . 2580 1 374 . 1 1 57 57 TYR HB3 H 1 2.32 0.01 . 1 . . . . . . . . 2580 1 375 . 1 1 57 57 TYR HD1 H 1 7.12 0.01 . 1 . . . . . . . . 2580 1 376 . 1 1 57 57 TYR HD2 H 1 7.12 0.01 . 1 . . . . . . . . 2580 1 377 . 1 1 57 57 TYR HE1 H 1 6.84 0.01 . 1 . . . . . . . . 2580 1 378 . 1 1 57 57 TYR HE2 H 1 6.84 0.01 . 1 . . . . . . . . 2580 1 379 . 1 1 58 58 LEU H H 1 8.62 0.01 . 1 . . . . . . . . 2580 1 380 . 1 1 58 58 LEU HA H 1 3.94 0.01 . 1 . . . . . . . . 2580 1 381 . 1 1 58 58 LEU HB2 H 1 1.64 0.01 . 2 . . . . . . . . 2580 1 382 . 1 1 58 58 LEU HB3 H 1 1.76 0.01 . 2 . . . . . . . . 2580 1 383 . 1 1 58 58 LEU HD11 H 1 1 0.01 . 1 . . . . . . . . 2580 1 384 . 1 1 58 58 LEU HD12 H 1 1 0.01 . 1 . . . . . . . . 2580 1 385 . 1 1 58 58 LEU HD13 H 1 1 0.01 . 1 . . . . . . . . 2580 1 386 . 1 1 58 58 LEU HD21 H 1 1 0.01 . 1 . . . . . . . . 2580 1 387 . 1 1 58 58 LEU HD22 H 1 1 0.01 . 1 . . . . . . . . 2580 1 388 . 1 1 58 58 LEU HD23 H 1 1 0.01 . 1 . . . . . . . . 2580 1 389 . 1 1 59 59 SER H H 1 8.26 0.01 . 1 . . . . . . . . 2580 1 390 . 1 1 59 59 SER HA H 1 4.08 0.01 . 1 . . . . . . . . 2580 1 391 . 1 1 59 59 SER HB2 H 1 4.26 0.01 . 1 . . . . . . . . 2580 1 392 . 1 1 59 59 SER HB3 H 1 4.26 0.01 . 1 . . . . . . . . 2580 1 393 . 1 1 59 59 SER HG H 1 4.9 0.01 . 1 . . . . . . . . 2580 1 394 . 1 1 60 60 MET H H 1 8.18 0.01 . 1 . . . . . . . . 2580 1 395 . 1 1 60 60 MET HA H 1 4.27 0.01 . 1 . . . . . . . . 2580 1 396 . 1 1 60 60 MET HB2 H 1 2.41 0.01 . 2 . . . . . . . . 2580 1 397 . 1 1 60 60 MET HB3 H 1 2.28 0.01 . 2 . . . . . . . . 2580 1 398 . 1 1 60 60 MET HG2 H 1 2.9 0.01 . 2 . . . . . . . . 2580 1 399 . 1 1 60 60 MET HG3 H 1 2.64 0.01 . 2 . . . . . . . . 2580 1 400 . 1 1 61 61 LEU H H 1 8.22 0.01 . 1 . . . . . . . . 2580 1 401 . 1 1 61 61 LEU HA H 1 4.13 0.01 . 1 . . . . . . . . 2580 1 402 . 1 1 61 61 LEU HB2 H 1 1.71 0.01 . 2 . . . . . . . . 2580 1 403 . 1 1 61 61 LEU HB3 H 1 1.84 0.01 . 2 . . . . . . . . 2580 1 404 . 1 1 61 61 LEU HD11 H 1 .97 0.01 . 1 . . . . . . . . 2580 1 405 . 1 1 61 61 LEU HD12 H 1 .97 0.01 . 1 . . . . . . . . 2580 1 406 . 1 1 61 61 LEU HD13 H 1 .97 0.01 . 1 . . . . . . . . 2580 1 407 . 1 1 61 61 LEU HD21 H 1 .97 0.01 . 1 . . . . . . . . 2580 1 408 . 1 1 61 61 LEU HD22 H 1 .97 0.01 . 1 . . . . . . . . 2580 1 409 . 1 1 61 61 LEU HD23 H 1 .97 0.01 . 1 . . . . . . . . 2580 1 410 . 1 1 62 62 LEU H H 1 8.49 0.01 . 1 . . . . . . . . 2580 1 411 . 1 1 62 62 LEU HA H 1 4.24 0.01 . 1 . . . . . . . . 2580 1 412 . 1 1 62 62 LEU HB2 H 1 1.8 0.01 . 2 . . . . . . . . 2580 1 413 . 1 1 62 62 LEU HB3 H 1 1.96 0.01 . 2 . . . . . . . . 2580 1 414 . 1 1 63 63 GLY H H 1 8.44 0.01 . 1 . . . . . . . . 2580 1 415 . 1 1 63 63 GLY HA2 H 1 3.95 0.01 . 2 . . . . . . . . 2580 1 416 . 1 1 63 63 GLY HA3 H 1 3.9 0.01 . 2 . . . . . . . . 2580 1 417 . 1 1 64 64 TYR H H 1 8.65 0.01 . 1 . . . . . . . . 2580 1 418 . 1 1 64 64 TYR HA H 1 4.39 0.01 . 1 . . . . . . . . 2580 1 419 . 1 1 64 64 TYR HB2 H 1 3.29 0.01 . 1 . . . . . . . . 2580 1 420 . 1 1 64 64 TYR HB3 H 1 3.29 0.01 . 1 . . . . . . . . 2580 1 421 . 1 1 64 64 TYR HD1 H 1 7.2 0.01 . 1 . . . . . . . . 2580 1 422 . 1 1 64 64 TYR HD2 H 1 7.2 0.01 . 1 . . . . . . . . 2580 1 423 . 1 1 64 64 TYR HE1 H 1 6.86 0.01 . 1 . . . . . . . . 2580 1 424 . 1 1 64 64 TYR HE2 H 1 6.86 0.01 . 1 . . . . . . . . 2580 1 425 . 1 1 65 65 GLY H H 1 8.68 0.01 . 1 . . . . . . . . 2580 1 426 . 1 1 65 65 GLY HA2 H 1 4.02 0.01 . 2 . . . . . . . . 2580 1 427 . 1 1 65 65 GLY HA3 H 1 3.91 0.01 . 2 . . . . . . . . 2580 1 428 . 1 1 66 66 LEU H H 1 8.44 0.01 . 1 . . . . . . . . 2580 1 429 . 1 1 66 66 LEU HA H 1 4.33 0.01 . 1 . . . . . . . . 2580 1 430 . 1 1 66 66 LEU HB2 H 1 1.71 0.01 . 2 . . . . . . . . 2580 1 431 . 1 1 66 66 LEU HB3 H 1 2.09 0.01 . 2 . . . . . . . . 2580 1 432 . 1 1 67 67 THR H H 1 7.86 0.01 . 1 . . . . . . . . 2580 1 433 . 1 1 67 67 THR HA H 1 4.26 0.01 . 1 . . . . . . . . 2580 1 434 . 1 1 67 67 THR HB H 1 4.4 0.01 . 1 . . . . . . . . 2580 1 435 . 1 1 67 67 THR HG1 H 1 5.11 0.01 . 1 . . . . . . . . 2580 1 436 . 1 1 67 67 THR HG21 H 1 1.42 0.01 . 1 . . . . . . . . 2580 1 437 . 1 1 67 67 THR HG22 H 1 1.42 0.01 . 1 . . . . . . . . 2580 1 438 . 1 1 67 67 THR HG23 H 1 1.42 0.01 . 1 . . . . . . . . 2580 1 439 . 1 1 68 68 MET H H 1 7.84 0.01 . 1 . . . . . . . . 2580 1 440 . 1 1 68 68 MET HA H 1 4.61 0.01 . 1 . . . . . . . . 2580 1 441 . 1 1 68 68 MET HB2 H 1 2.15 0.01 . 1 . . . . . . . . 2580 1 442 . 1 1 68 68 MET HB3 H 1 2.15 0.01 . 1 . . . . . . . . 2580 1 443 . 1 1 68 68 MET HG2 H 1 2.62 0.01 . 2 . . . . . . . . 2580 1 444 . 1 1 68 68 MET HG3 H 1 2.55 0.01 . 2 . . . . . . . . 2580 1 445 . 1 1 69 69 VAL H H 1 7.45 0.01 . 1 . . . . . . . . 2580 1 446 . 1 1 69 69 VAL HA H 1 4.48 0.01 . 1 . . . . . . . . 2580 1 447 . 1 1 69 69 VAL HB H 1 2.25 0.01 . 1 . . . . . . . . 2580 1 448 . 1 1 69 69 VAL HG11 H 1 1.11 0.01 . 2 . . . . . . . . 2580 1 449 . 1 1 69 69 VAL HG12 H 1 1.11 0.01 . 2 . . . . . . . . 2580 1 450 . 1 1 69 69 VAL HG13 H 1 1.11 0.01 . 2 . . . . . . . . 2580 1 451 . 1 1 69 69 VAL HG21 H 1 1.04 0.01 . 2 . . . . . . . . 2580 1 452 . 1 1 69 69 VAL HG22 H 1 1.04 0.01 . 2 . . . . . . . . 2580 1 453 . 1 1 69 69 VAL HG23 H 1 1.04 0.01 . 2 . . . . . . . . 2580 1 454 . 1 1 70 70 PRO HA H 1 4.61 0.01 . 1 . . . . . . . . 2580 1 455 . 1 1 70 70 PRO HB2 H 1 2.17 0.01 . 2 . . . . . . . . 2580 1 456 . 1 1 70 70 PRO HB3 H 1 1.97 0.01 . 2 . . . . . . . . 2580 1 457 . 1 1 70 70 PRO HG2 H 1 2.07 0.01 . 1 . . . . . . . . 2580 1 458 . 1 1 70 70 PRO HG3 H 1 2.07 0.01 . 1 . . . . . . . . 2580 1 459 . 1 1 70 70 PRO HD2 H 1 3.98 0.01 . 2 . . . . . . . . 2580 1 460 . 1 1 70 70 PRO HD3 H 1 3.68 0.01 . 2 . . . . . . . . 2580 1 461 . 1 1 71 71 PHE H H 1 7.22 0.01 . 1 . . . . . . . . 2580 1 462 . 1 1 71 71 PHE HA H 1 4.64 0.01 . 1 . . . . . . . . 2580 1 463 . 1 1 71 71 PHE HB2 H 1 3.35 0.01 . 2 . . . . . . . . 2580 1 464 . 1 1 71 71 PHE HB3 H 1 3.22 0.01 . 2 . . . . . . . . 2580 1 stop_ save_