data_5967 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5967 _Entry.Title ; Solution structure of the mature HIV-1 protease monomer ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-10-13 _Entry.Accession_date 2003-10-13 _Entry.Last_release_date 2004-05-15 _Entry.Original_release_date 2004-05-15 _Entry.Origination author _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 R. Ishima . . . 5967 2 D. Torchia . A. . 5967 3 S. Lynch . M. . 5967 4 A. Gronenborn . M. . 5967 5 J. Louis . M. . 5967 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5967 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 89 5967 '13C chemical shifts' 175 5967 '15N chemical shifts' 89 5967 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 . . 2004-05-15 2003-10-13 original author . 5967 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5967 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12933791 _Citation.Full_citation . _Citation.Title ; Solution structure of the mature HIV-1 protease monomer: Insight into the tertiary fold and stability of a precursor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 278 _Citation.Journal_issue 44 _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 43311 _Citation.Page_last 43319 _Citation.Year 2003 _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 R. Ishima . . . 5967 1 2 D. Torchia . A. . 5967 1 3 S. Lynch . M. . 5967 1 4 A. Gronenborn . M. . 5967 1 5 J. Louis . M. . 5967 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'HIV-1 protease' 5967 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_HIV-1_protease _Assembly.Sf_category assembly _Assembly.Sf_framecode system_HIV-1_protease _Assembly.Entry_ID 5967 _Assembly.ID 1 _Assembly.Name 'HIV-1 protease (E.C.3.4.23.16)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5967 1 stop_ 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 'HIV-1 protease' 1 $HIV-1_protease . . . native . . . . . 5967 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1Q9P . . . . . . 5967 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'HIV-1 protease (E.C.3.4.23.16)' system 5967 1 'HIV-1 protease (E.C.3.4.23.16)' abbreviation 5967 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HIV-1_protease _Entity.Sf_category entity _Entity.Sf_framecode HIV-1_protease _Entity.Entry_ID 5967 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'HIV-1 protease (E.C.3.4.23.16)' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; PQITLWKRPLVTIKIGGQLK EALLDTGADDTVIEEMSLPG RWKPKMIGGIGGFIKVRQYD QIIIEIAGHKAIGTVLVGPT PVNIIGRNLLTQIGA ; _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 95 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 16416 . HIV-PR . . . . . 100.00 99 97.89 100.00 3.80e-58 . . . . 5967 1 2 no PDB 1A30 . "Hiv-1 Protease Complexed With A Tripeptide Inhibitor" . . . . . 100.00 99 97.89 97.89 1.75e-57 . . . . 5967 1 3 no PDB 1A8K . "Crystallographic Analysis Of Human Immunodeficiency Virus 1 Protease With An Analog Of The Conserved Ca-P2 Substrate: Interacti" . . . . . 100.00 99 97.89 97.89 1.75e-57 . . . . 5967 1 4 no PDB 1A94 . "Structural Basis For Specificity Of Retroviral Proteases" . . . . . 100.00 99 98.95 100.00 7.15e-58 . . . . 5967 1 5 no PDB 1D4Y . "Hiv-1 Protease Triple MutantTIPRANAVIR COMPLEX" . . . . . 100.00 99 97.89 97.89 1.75e-57 . . . . 5967 1 6 no PDB 1DAZ . "Structural And Kinetic Analysis Of Drug Resistant Mutants Of Hiv-1 Protease" . . . . . 100.00 99 98.95 98.95 2.82e-57 . . . . 5967 1 7 no PDB 1DW6 . "Structural And Kinetic Analysis Of Drug Resistant Mutants Of Hiv-1 Protease" . . . . . 100.00 99 98.95 100.00 3.06e-58 . . . . 5967 1 8 no PDB 1EBK . "Structural And Kinetic Analysis Of Drug Resistant Mutants Of Hiv-1 Protease" . . . . . 100.00 99 98.95 100.00 8.61e-58 . . . . 5967 1 9 no PDB 1FEJ . "Structural Implications Of Drug Resistant Mutants Of Hiv-1 Protease: High Resolution Crystal Structures Of The Mutant ProteaseS" . . . . . 100.00 99 98.95 100.00 3.06e-58 . . . . 5967 1 10 no PDB 1FF0 . "Structural Implications Of Drug Resistant Mutants Of Hiv-1 Protease: High Resolution Crystal Structures Of The Mutant ProteaseS" . . . . . 100.00 99 98.95 98.95 2.82e-57 . . . . 5967 1 11 no PDB 1FFF . "Structural Implications Of Drug Resistant Mutants Of Hiv-1 Protease : High Resolution Crystal Structures Of The Mutant Protease" . . . . . 100.00 99 98.95 100.00 6.92e-58 . . . . 5967 1 12 no PDB 1FFI . "Structural Implications Of Drug Resistant Mutants Of Hiv-1 Protease: High Resolution Crystal Structures Of The Mutant ProteaseS" . . . . . 100.00 99 98.95 100.00 6.92e-58 . . . . 5967 1 13 no PDB 1FG6 . "Structural Implications Of Drug Resistant Mutants Of Hiv-1 Protease: High Resolution Crystal Structures Of The Mutant ProteaseS" . . . . . 100.00 99 98.95 100.00 1.23e-57 . . . . 5967 1 14 no PDB 1FG8 . "Structural Implications Of Drug Resistant Mutants Of Hiv-1 Protease: High Resolution Crystal Structures Of The Mutant ProteaseS" . . . . . 100.00 99 98.95 100.00 1.23e-57 . . . . 5967 1 15 no PDB 1FGC . "Structural Implications Of Drug Resistant Mutants Of Hiv-1 Protease: High Resolution Crystal Structures Of The Mutant ProteaseS" . . . . . 100.00 99 100.00 100.00 2.11e-58 . . . . 5967 1 16 no PDB 1HPO . "Hiv-1 Protease Triple MutantU103265 COMPLEX" . . . . . 100.00 99 97.89 97.89 1.75e-57 . . . . 5967 1 17 no PDB 1K1T . "Combining Mutations In Hiv-1 Protease To Understand Mechanisms Of Resistance" . . . . . 100.00 99 97.89 97.89 1.56e-56 . . . . 5967 1 18 no PDB 1K1U . "Combining Mutations In Hiv-1 Protease To Understand Mechanisms Of Resistance" . . . . . 100.00 99 97.89 98.95 5.14e-57 . . . . 5967 1 19 no PDB 1K2B . "Combining Mutations In Hiv-1 Protease To Understand Mechanisms Of Resistance" . . . . . 100.00 99 97.89 100.00 1.77e-57 . . . . 5967 1 20 no PDB 1K2C . "Combining Mutations In Hiv-1 Protease To Understand Mechanisms Of Resistance" . . . . . 100.00 99 97.89 98.95 3.36e-57 . . . . 5967 1 21 no PDB 1MRW . "Structure Of Hiv Protease (Mutant Q7k L33i L63i) Complexed With Kni- 577" . . . . . 100.00 99 97.89 97.89 1.75e-57 . . . . 5967 1 22 no PDB 1MSM . "The Hiv Protease (Mutant Q7k L33i L63i) Complexed With Kni-764 (An Inhibitor)" . . . . . 100.00 99 97.89 97.89 1.75e-57 . . . . 5967 1 23 no PDB 1Q9P . "Solution Structure Of The Mature Hiv-1 Protease Monomer" . . . . . 100.00 95 100.00 100.00 2.38e-58 . . . . 5967 1 24 no PDB 1SDT . "Crystal Structures Of Hiv Protease V82a And L90m Mutants Reveal Changes In Indinavir Binding Site." . . . . . 100.00 99 100.00 100.00 2.11e-58 . . . . 5967 1 25 no PDB 1SDU . "Crystal Structures Of Hiv Protease V82a And L90m Mutants Reveal Changes In Indinavir Binding Site." . . . . . 100.00 99 98.95 100.00 3.06e-58 . . . . 5967 1 26 no PDB 1SDV . "Crystal Structures Of Hiv Protease V82a And L90m Mutants Reveal Changes In Indinavir Binding Site." . . . . . 100.00 99 98.95 98.95 5.81e-58 . . . . 5967 1 27 no PDB 1ZTZ . "Crystal Structure Of Hiv Protease- Metallacarborane Complex" . . . . . 100.00 99 97.89 97.89 1.75e-57 . . . . 5967 1 28 no PDB 2A1E . "High Resolution Structure Of Hiv-1 Pr With Ts-126" . . . . . 100.00 99 100.00 100.00 2.11e-58 . . . . 5967 1 29 no PDB 2AOC . "Crystal Structure Analysis Of Hiv-1 Protease Mutant I84v With A Substrate Analog P2-Nc" . . . . . 100.00 99 98.95 100.00 2.68e-58 . . . . 5967 1 30 no PDB 2AOD . "Crystal Structure Analysis Of Hiv-1 Protease With A Substrate Analog P2-Nc" . . . . . 100.00 99 100.00 100.00 2.11e-58 . . . . 5967 1 31 no PDB 2AOE . "Crystal Structure Analysis Of Hiv-1 Protease Mutant V82a With A Substrate Analog Ca-P2" . . . . . 100.00 99 98.95 98.95 5.81e-58 . . . . 5967 1 32 no PDB 2AOF . "Crystal Structure Analysis Of Hiv-1 Protease Mutant V82a With A Substrate Analog P1-P6" . . . . . 100.00 99 98.95 98.95 5.81e-58 . . . . 5967 1 33 no PDB 2AOG . "Crystal Structure Analysis Of Hiv-1 Protease Mutant V82a With A Substrate Analog P2-Nc" . . . . . 100.00 99 98.95 98.95 5.81e-58 . . . . 5967 1 34 no PDB 2AOH . "Crystal Structure Analysis Of Hiv-1 Protease Mutant V82a With A Substrate Analog P6-Pr" . . . . . 100.00 99 98.95 98.95 5.81e-58 . . . . 5967 1 35 no PDB 2AOI . "Crystal Structure Analysis Of Hiv-1 Protease With A Substrate Analog P1-P6" . . . . . 100.00 99 100.00 100.00 2.11e-58 . . . . 5967 1 36 no PDB 2AOJ . "Crystal Structure Analysis Of Hiv-1 Protease With A Substrate Analog P6-Pr" . . . . . 100.00 99 100.00 100.00 2.11e-58 . . . . 5967 1 37 no PDB 2AVM . "Kinetics, Stability, And Structural Changes In High Resolution Crystal Structures Of Hiv-1 Protease With Drug Resistant Mutatio" . . . . . 100.00 99 98.95 100.00 5.33e-58 . . . . 5967 1 38 no PDB 2AVO . "Kinetics, Stability, And Structural Changes In High Resolution Crystal Structures Of Hiv-1 Protease With Drug Resistant Mutatio" . . . . . 100.00 99 98.95 100.00 5.33e-58 . . . . 5967 1 39 no PDB 2AVQ . "Kinetics, Stability, And Structural Changes In High Resolution Crystal Structures Of Hiv-1 Protease With Drug Resistant Mutatio" . . . . . 100.00 99 98.95 100.00 2.68e-58 . . . . 5967 1 40 no PDB 2AVS . "Kinetics, Stability, And Structural Changes In High Resolution Crystal Structures Of Hiv-1 Protease With Drug Resistant Mutatio" . . . . . 100.00 99 98.95 100.00 2.68e-58 . . . . 5967 1 41 no PDB 2AVV . "Kinetics, Stability, And Structural Changes In High Resolution Crystal Structures Of Hiv-1 Protease With Drug Resistant Mutatio" . . . . . 100.00 99 98.95 98.95 7.15e-58 . . . . 5967 1 42 no PDB 2F80 . "Hiv-1 Protease Mutant D30n Complexed With Inhibitor Tmc114" . . . . . 100.00 99 98.95 100.00 6.92e-58 . . . . 5967 1 43 no PDB 2F81 . "Hiv-1 Protease Mutant L90m Complexed With Inhibitor Tmc114" . . . . . 100.00 99 98.95 100.00 3.06e-58 . . . . 5967 1 44 no PDB 2F8G . "Hiv-1 Protease Mutant I50v Complexed With Inhibitor Tmc114" . . . . . 100.00 99 98.95 100.00 2.68e-58 . . . . 5967 1 45 no PDB 2G69 . "Structure Of Unliganded Hiv-1 Protease F53l Mutant" . . . . . 100.00 99 98.95 98.95 1.87e-57 . . . . 5967 1 46 no PDB 2HB3 . "Wild-Type Hiv-1 Protease In Complex With Potent Inhibitor Grl06579" . . . . . 100.00 99 100.00 100.00 2.11e-58 . . . . 5967 1 47 no PDB 2HS1 . "Ultra-High Resolution X-Ray Crystal Structure Of Hiv-1 Protease V32i Mutant With Tmc114 (Darunavir) Inhibitor" . . . . . 100.00 99 98.95 100.00 3.97e-58 . . . . 5967 1 48 no PDB 2HS2 . "Crystal Structure Of M46l Mutant Of Hiv-1 Protease Complexed With Tmc114 (Darunavir)" . . . . . 100.00 99 98.95 100.00 7.39e-58 . . . . 5967 1 49 no PDB 2IDW . "Crystal Structure Analysis Of Hiv-1 Protease Mutant V82a With A Potent Non-Peptide Inhibitor (Uic-94017)" . . . . . 100.00 99 98.95 98.95 5.81e-58 . . . . 5967 1 50 no PDB 2IEN . "Crystal Structure Analysis Of Hiv-1 Protease With A Potent Non-Peptide Inhibitor (Uic-94017)" . . . . . 100.00 99 100.00 100.00 2.11e-58 . . . . 5967 1 51 no PDB 2IEO . "Crystal Structure Analysis Of Hiv-1 Protease Mutant I84v With A Potent Non-peptide Inhibitor (uic-94017)" . . . . . 100.00 99 98.95 100.00 2.68e-58 . . . . 5967 1 52 no PDB 2NMY . "Crystal Structure Analysis Of Hiv-1 Protease Mutant V82a With A Inhibitor Saquinavir" . . . . . 100.00 99 98.95 98.95 5.81e-58 . . . . 5967 1 53 no PDB 2NMZ . "Crystal Structure Analysis Of Hiv-1 Protease Mutant V82a With A Inhibitor Saquinavir" . . . . . 100.00 99 98.95 98.95 5.81e-58 . . . . 5967 1 54 no PDB 2NNK . "Crystal Structure Analysis Of Hiv-1 Protease Mutant I84v With A Inhibitor Saquinavir" . . . . . 100.00 99 98.95 100.00 2.68e-58 . . . . 5967 1 55 no PDB 2NNP . "Crystal Structure Analysis Of Hiv-1 Protease Mutant I84v With A Inhibitor Saquinavir" . . . . . 100.00 99 98.95 100.00 2.68e-58 . . . . 5967 1 56 no PDB 2PK5 . "Crystal Structure Of Hiv-1 Protease (q7k, L33i, L63i ) In Complex With Kni-10075" . . . . . 100.00 99 97.89 97.89 1.75e-57 . . . . 5967 1 57 no PDB 2PK6 . "Crystal Structure Of Hiv-1 Protease (Q7k, L33i, L63i) In Complex With Kni-10033" . . . . . 100.00 99 97.89 97.89 1.75e-57 . . . . 5967 1 58 no PDB 2QCI . "Hiv-1 Protease Mutant D30n With Potent Antiviral Inhibitor Grl-98065" . . . . . 100.00 99 98.95 100.00 6.92e-58 . . . . 5967 1 59 no PDB 2QD6 . "Hiv-1 Protease Mutant I50v With Potent Antiviral Inhibitor Grl-98065" . . . . . 100.00 99 98.95 100.00 2.68e-58 . . . . 5967 1 60 no PDB 2QD7 . "Hiv-1 Protease Mutant V82a With Potent Antiviral Inhibitor Grl-98065" . . . . . 100.00 99 98.95 98.95 5.81e-58 . . . . 5967 1 61 no PDB 2QD8 . "Hiv-1 Protease Mutant I84v With Potent Antiviral Inhibitor Grl-98065" . . . . . 100.00 99 98.95 100.00 2.68e-58 . . . . 5967 1 62 no PDB 2Z4O . "Wild Type Hiv-1 Protease With Potent Antiviral Inhibitor Grl-98065" . . . . . 100.00 99 100.00 100.00 2.11e-58 . . . . 5967 1 63 no PDB 2ZYE . "Structure Of Hiv-1 Protease In Complex With Potent Inhibitor Kni-272 Determined By Neutron Crystallography" . . . . . 98.95 99 100.00 100.00 1.55e-57 . . . . 5967 1 64 no PDB 3A2O . "Crystal Structure Of Hiv-1 Protease Complexed With Kni-1689" . . . . . 100.00 99 100.00 100.00 2.11e-58 . . . . 5967 1 65 no PDB 3B7V . "Hiv-1 Protease Complexed With Gem-Diol-Amine Tetrahedral Intermediate Nlltqi" . . . . . 100.00 99 100.00 100.00 2.11e-58 . . . . 5967 1 66 no PDB 3B80 . "Hiv-1 Protease Mutant I54v Complexed With Gem-Diol-Amine Intermediate Nlltqi" . . . . . 100.00 99 98.95 100.00 2.68e-58 . . . . 5967 1 67 no PDB 3BVA . "Cystal Structure Of Hiv-1 Active Site Mutant D25n And P2-Nc Analog Inhibitor" . . . . . 100.00 99 98.95 100.00 6.92e-58 . . . . 5967 1 68 no PDB 3BVB . "Cystal Structure Of Hiv-1 Active Site Mutant D25n And Inhibitor Darunavir" . . . . . 100.00 99 98.95 100.00 6.92e-58 . . . . 5967 1 69 no PDB 3CYW . "Effect Of Flap Mutations On Structure Of Hiv-1 Protease And Inhibition By Saquinavir And Darunavir" . . . . . 100.00 99 98.95 98.95 2.56e-57 . . . . 5967 1 70 no PDB 3CYX . "Crystal Structure Of Hiv-1 Mutant I50v And Inhibitor Saquinavira" . . . . . 100.00 99 98.95 100.00 2.68e-58 . . . . 5967 1 71 no PDB 3D1X . "Crystal Structure Of Hiv-1 Mutant I54m And Inhibitor Saquinavir" . . . . . 100.00 99 98.95 100.00 3.76e-58 . . . . 5967 1 72 no PDB 3D1Y . "Crystal Structure Of Hiv-1 Mutant I54v And Inhibitor Saquina" . . . . . 100.00 99 98.95 100.00 2.68e-58 . . . . 5967 1 73 no PDB 3D1Z . "Crystal Structure Of Hiv-1 Mutant I54m And Inhibitor Darunavir" . . . . . 100.00 99 98.95 100.00 3.76e-58 . . . . 5967 1 74 no PDB 3D20 . "Crystal Structure Of Hiv-1 Mutant I54v And Inhibitor Darunavia" . . . . . 100.00 99 98.95 100.00 2.68e-58 . . . . 5967 1 75 no PDB 3DJK . "Wild Type Hiv-1 Protease With Potent Antiviral Inhibitor Grl-0255a" . . . . . 100.00 99 100.00 100.00 2.11e-58 . . . . 5967 1 76 no PDB 3DK1 . "Wild Type Hiv-1 Protease With Potent Antiviral Inhibitor Grl-0105a" . . . . . 100.00 99 100.00 100.00 2.11e-58 . . . . 5967 1 77 no PDB 3FX5 . "Structure Of Hiv-1 Protease In Complex With Potent Inhibitor Kni-272 Determined By High Resolution X-ray Crystallography" . . . . . 100.00 99 100.00 100.00 2.11e-58 . . . . 5967 1 78 no PDB 3H5B . "Crystal Structure Of Wild Type Hiv-1 Protease With Novel P1'-Ligand Grl-02031" . . . . . 100.00 99 100.00 100.00 2.11e-58 . . . . 5967 1 79 no PDB 3I6O . "Crystal Structure Of Wild Type Hiv-1 Protease With Macrocyclic Inhibitor Grl-0216a" . . . . . 100.00 99 100.00 100.00 2.11e-58 . . . . 5967 1 80 no PDB 3I8W . "Crystal Structure Of A Metallacarborane Inhibitor Bound To Hiv Protease" . . . . . 100.00 99 97.89 97.89 1.75e-57 . . . . 5967 1 81 no PDB 3JVW . "Hiv-1 Protease Mutant G86a With Symmetric Inhibitor Dmp323" . . . . . 100.00 99 98.95 98.95 7.00e-58 . . . . 5967 1 82 no PDB 3JVY . "Hiv-1 Protease Mutant G86a With Darunavir" . . . . . 100.00 99 98.95 98.95 7.00e-58 . . . . 5967 1 83 no PDB 3JW2 . "Hiv-1 Protease Mutant G86s With Darunavir" . . . . . 100.00 99 98.95 98.95 7.15e-58 . . . . 5967 1 84 no PDB 3K4V . "New Crystal Form Of Hiv-1 Protease/saquinavir Structure Reveals Carbamylation Of N-terminal Proline" . . . . . 100.00 99 100.00 100.00 2.11e-58 . . . . 5967 1 85 no PDB 3KDB . "Crystal Structure Of Hiv-1 Protease (Q7k, L33i, L63i) In Complex With Kni-10006" . . . . . 100.00 99 97.89 97.89 1.75e-57 . . . . 5967 1 86 no PDB 3KDC . "Crystal Structure Of Hiv-1 Protease (Q7k, L33i, L63i) In Complex With Kni-10074" . . . . . 100.00 99 97.89 97.89 1.75e-57 . . . . 5967 1 87 no PDB 3KDD . "Crystal Structure Of Hiv-1 Protease (Q7k, L33i, L63i) In Complex With Kni-10265" . . . . . 100.00 99 97.89 97.89 1.75e-57 . . . . 5967 1 88 no PDB 3NDT . "Hiv-1 Protease Saquinavir:ritonavir 1:1 Complex Structure" . . . . . 100.00 100 100.00 100.00 2.17e-58 . . . . 5967 1 89 no PDB 3NDU . "Hiv-1 Protease Saquinavir:ritonavir 1:5 Complex Structure" . . . . . 100.00 100 100.00 100.00 2.17e-58 . . . . 5967 1 90 no PDB 3NDW . "Hiv-1 Protease Saquinavir:ritonavir 1:15 Complex Structure" . . . . . 100.00 99 100.00 100.00 2.11e-58 . . . . 5967 1 91 no PDB 3NDX . "Hiv-1 Protease Saquinavir:ritonavir 1:50 Complex Structure" . . . . . 100.00 99 100.00 100.00 2.11e-58 . . . . 5967 1 92 no PDB 3NLS . "Crystal Structure Of Hiv-1 Protease In Complex With Kni-10772" . . . . . 100.00 99 97.89 97.89 1.75e-57 . . . . 5967 1 93 no PDB 3NU3 . "Wild Type Hiv-1 Protease With Antiviral Drug Amprenavir" . . . . . 100.00 99 100.00 100.00 2.11e-58 . . . . 5967 1 94 no PDB 3NU4 . "Crystal Structure Of Hiv-1 Protease Mutant V32i With Antiviral Drug Amprenavir" . . . . . 100.00 99 98.95 100.00 3.97e-58 . . . . 5967 1 95 no PDB 3NU5 . "Crystal Structure Of Hiv-1 Protease Mutant I50v With Antiviral Drug Amprenavir" . . . . . 100.00 99 98.95 100.00 2.68e-58 . . . . 5967 1 96 no PDB 3NU6 . "Crystal Structure Of Hiv-1 Protease Mutant I54m With Antiviral Drug Amprenavir" . . . . . 100.00 99 98.95 100.00 3.76e-58 . . . . 5967 1 97 no PDB 3NU9 . "Crystal Structure Of Hiv-1 Protease Mutant I84v With Antiviral Drug Amprenavir" . . . . . 100.00 99 98.95 100.00 2.68e-58 . . . . 5967 1 98 no PDB 3NUJ . "Crystal Structure Of Hiv-1 Protease Mutant I54v With Antiviral Drug Amprenavir" . . . . . 100.00 99 98.95 100.00 2.68e-58 . . . . 5967 1 99 no PDB 3NUO . "Crystal Structure Of Hiv-1 Protease Mutant L90m With Antiviral Drug Amprenavir" . . . . . 100.00 99 98.95 100.00 3.06e-58 . . . . 5967 1 100 no PDB 3OK9 . "Crystal Structure Of Wild-Type Hiv-1 Protease With New Oxatricyclic Designed Inhibitor Grl-0519a" . . . . . 100.00 99 100.00 100.00 2.11e-58 . . . . 5967 1 101 no PDB 3OXC . "Wild Type Hiv-1 Protease With Antiviral Drug Saquinavir" . . . . . 100.00 99 100.00 100.00 2.11e-58 . . . . 5967 1 102 no PDB 3PWM . "Hiv-1 Protease Mutant L76v With Darunavir" . . . . . 100.00 99 98.95 100.00 6.70e-58 . . . . 5967 1 103 no PDB 3PWR . "Hiv-1 Protease Mutant L76v Complexed With Saquinavir" . . . . . 100.00 99 98.95 100.00 6.70e-58 . . . . 5967 1 104 no PDB 3QAA . "Hiv-1 Wild Type Protease With A Substituted Bis-Tetrahydrofuran Inhibitor, Grl-044-10a" . . . . . 100.00 99 100.00 100.00 2.11e-58 . . . . 5967 1 105 no PDB 3QBF . "Hiv-1 Protease (Mutant Q7k L33i L63i) In Complex With A Three-Armed Pyrrolidine-Based Inhibitor" . . . . . 100.00 99 97.89 97.89 1.75e-57 . . . . 5967 1 106 no PDB 3QIH . "Hiv-1 Protease (Mutant Q7k L33i L63i) In Complex With A Novel Inhibitor" . . . . . 100.00 99 97.89 97.89 1.75e-57 . . . . 5967 1 107 no PDB 3QN8 . "Hiv-1 Protease (Mutant Q7k L33i L63i) In Complex With A Novel Inhibitor" . . . . . 100.00 99 97.89 97.89 1.75e-57 . . . . 5967 1 108 no PDB 3QP0 . "Hiv-1 Protease (Mutant Q7k L33i L63i) In Complex With A Novel Inhibitor" . . . . . 100.00 99 97.89 97.89 1.75e-57 . . . . 5967 1 109 no PDB 3QPJ . "Hiv-1 Protease (Mutant Q7k L33i L63i) In Complex With A Three-Armed Pyrrolidine-Based Inhibitor" . . . . . 100.00 99 97.89 97.89 1.75e-57 . . . . 5967 1 110 no PDB 3QRM . "Hiv-1 Protease (Mutant Q7k L33i L63i) In Complex With A Three-Armed Pyrrolidine-Based Inhibitor" . . . . . 100.00 99 97.89 97.89 1.75e-57 . . . . 5967 1 111 no PDB 3QRO . "Hiv-1 Protease (Mutant Q7k L33i L63i) In Complex With A Three-Armed Pyrrolidine-Based Inhibitor" . . . . . 100.00 99 97.89 97.89 1.75e-57 . . . . 5967 1 112 no PDB 3QRS . "Hiv-1 Protease (Mutant Q7k L33i L63i) In Complex With A Three-Armed Pyrrolidine-Based Inhibitor" . . . . . 100.00 99 97.89 97.89 1.75e-57 . . . . 5967 1 113 no PDB 3ST5 . "Crystal Structure Of Wild-Type Hiv-1 Protease With C3-Substituted Hexahydrocyclopentafuranyl Urethane As P2-Ligand, Grl-0489a" . . . . . 100.00 99 100.00 100.00 2.11e-58 . . . . 5967 1 114 no PDB 3TH9 . "Crystal Structure Of Hiv-1 Protease Mutant Q7k V32i L63i With A Cyclic Sulfonamide Inhibitor" . . . . . 100.00 99 97.89 97.89 1.75e-57 . . . . 5967 1 115 no PDB 3TKG . "Crystal Structure Of Hiv Model Protease PrecursorSAQUINAVIR COMPLEX" . . . . . 100.00 103 100.00 100.00 1.13e-58 . . . . 5967 1 116 no PDB 3TKW . "Crystal Structure Of Hiv Protease Model PrecursorDARUNAVIR COMPLEX" . . . . . 100.00 103 100.00 100.00 1.13e-58 . . . . 5967 1 117 no PDB 3TL9 . "Crystal Structure Of Hiv Protease Model PrecursorSAQUINAVIR COMPLEX" . . . . . 100.00 103 100.00 100.00 1.13e-58 . . . . 5967 1 118 no PDB 3TOF . "Hiv-1 Protease - Epoxydic Inhibitor Complex (Ph 6 - Orthorombic Crystal Form P212121)" . . . . . 100.00 99 100.00 100.00 2.11e-58 . . . . 5967 1 119 no PDB 3TOG . "Hiv-1 Protease - Epoxydic Inhibitor Complex (ph 9 - Monoclinic Crystal Form P21)" . . . . . 100.00 99 100.00 100.00 2.11e-58 . . . . 5967 1 120 no PDB 3TOH . "Hiv-1 Protease - Epoxydic Inhibitor Complex (ph 9 - Orthorombic Crystal Form P212121)" . . . . . 100.00 99 100.00 100.00 2.11e-58 . . . . 5967 1 121 no PDB 3VF5 . "Crystal Structure Of Hiv-1 Protease Mutant I47v With Novel P1'-Ligands Grl-02031" . . . . . 100.00 99 98.95 100.00 2.68e-58 . . . . 5967 1 122 no PDB 3VF7 . "Crystal Structure Of Hiv-1 Protease Mutant L76v With Novel P1'-Ligands Grl-02031" . . . . . 100.00 99 98.95 100.00 6.70e-58 . . . . 5967 1 123 no PDB 3VFA . "Crystal Structure Of Hiv-1 Protease Mutant V82a With Novel P1'-Ligands Grl-02031" . . . . . 100.00 99 98.95 98.95 5.81e-58 . . . . 5967 1 124 no PDB 3VFB . "Crystal Structure Of Hiv-1 Protease Mutant N88d With Novel P1'-Ligands Grl-02031" . . . . . 100.00 99 98.95 100.00 1.23e-57 . . . . 5967 1 125 no PDB 4DFG . "Crystal Structure Of Wild-Type Hiv-1 Protease With Cyclopentyltetrahydro- Furanyl Urethanes As P2-Ligand, Grl-0249a" . . . . . 100.00 99 100.00 100.00 2.11e-58 . . . . 5967 1 126 no PDB 4EJ8 . "Apo Hiv Protease (pr) Dimer In Closed Form With Fragment 1f1 In The Outside/top Of Flap" . . . . . 100.00 99 98.95 100.00 7.00e-58 . . . . 5967 1 127 no PDB 4EJL . "Apo Hiv Protease (pr) Dimer In Closed Form With Fragment 1f1-n In The Outside/top Of Flap" . . . . . 100.00 99 98.95 100.00 7.00e-58 . . . . 5967 1 128 no PDB 4FL8 . "Hiv-1 Protease Complexed With Gem-Diol-Amine Tetrahedral Intermediate" . . . . . 100.00 99 100.00 100.00 2.11e-58 . . . . 5967 1 129 no PDB 4FLG . "Hiv-1 Protease Mutant I47v Complexed With Reaction Intermediate" . . . . . 100.00 99 98.95 100.00 2.68e-58 . . . . 5967 1 130 no PDB 4FM6 . "Hiv-1 Protease Mutant V32i Complexed With Reaction Intermediate" . . . . . 100.00 99 98.95 100.00 3.97e-58 . . . . 5967 1 131 no PDB 4GB2 . "Hiv-1 Protease (mutant Q7k L33i L63i) In Complex With A Bicyclic Pyrrolidine Inhibitor" . . . . . 100.00 99 97.89 97.89 1.75e-57 . . . . 5967 1 132 no PDB 4HDB . "Crystal Structure Of Hiv-1 Protease Mutants D30n Complexed With Inhibitor Grl-0519" . . . . . 100.00 99 98.95 100.00 6.92e-58 . . . . 5967 1 133 no PDB 4HDF . "Crystal Structure Of Hiv-1 Protease Mutants V82a Complexed With Inhibitor Grl-0519" . . . . . 100.00 99 98.95 98.95 5.81e-58 . . . . 5967 1 134 no PDB 4HDP . "Crystal Structure Of Hiv-1 Protease Mutants I50v Complexed With Inhibitor Grl-0519" . . . . . 100.00 99 98.95 100.00 2.68e-58 . . . . 5967 1 135 no PDB 4HE9 . "Crystal Structure Of Hiv-1 Protease Mutants I54m Complexed With Inhibitor Grl-0519" . . . . . 100.00 99 98.95 100.00 3.76e-58 . . . . 5967 1 136 no PDB 4HEG . "Crystal Structure Of Hiv-1 Protease Mutants R8q Complexed With Inhibitor Grl-0519" . . . . . 100.00 99 98.95 100.00 8.61e-58 . . . . 5967 1 137 no PDB 4KB9 . "Crystal Structure Of Wild-type Hiv-1 Protease With Novel Tricyclic P2- Ligands Grl-0739a" . . . . . 100.00 99 100.00 100.00 2.11e-58 . . . . 5967 1 138 no PDB 4MC1 . "Hiv Protease In Complex With Sa526p" . . . . . 100.00 99 97.89 97.89 1.75e-57 . . . . 5967 1 139 no PDB 4MC2 . "Hiv Protease In Complex With Sa525p" . . . . . 100.00 99 97.89 97.89 1.75e-57 . . . . 5967 1 140 no PDB 4MC6 . "Hiv Protease In Complex With Sa499" . . . . . 100.00 99 97.89 97.89 1.75e-57 . . . . 5967 1 141 no PDB 4MC9 . "Hiv Protease In Complex With Aa74" . . . . . 100.00 99 97.89 97.89 1.75e-57 . . . . 5967 1 142 no PDB 4U8W . "Hiv-1 Wild Type Protease With Grl-050-10a (a Gem-difluoro-bis- Tetrahydrofuran As P2-ligand)" . . . . . 100.00 99 100.00 100.00 2.11e-58 . . . . 5967 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'HIV-1 protease (E.C.3.4.23.16)' common 5967 1 'HIV-1 protease (E.C.3.4.23.16)' abbreviation 5967 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 . PRO . 5967 1 2 . GLN . 5967 1 3 . ILE . 5967 1 4 . THR . 5967 1 5 . LEU . 5967 1 6 . TRP . 5967 1 7 . LYS . 5967 1 8 . ARG . 5967 1 9 . PRO . 5967 1 10 . LEU . 5967 1 11 . VAL . 5967 1 12 . THR . 5967 1 13 . ILE . 5967 1 14 . LYS . 5967 1 15 . ILE . 5967 1 16 . GLY . 5967 1 17 . GLY . 5967 1 18 . GLN . 5967 1 19 . LEU . 5967 1 20 . LYS . 5967 1 21 . GLU . 5967 1 22 . ALA . 5967 1 23 . LEU . 5967 1 24 . LEU . 5967 1 25 . ASP . 5967 1 26 . THR . 5967 1 27 . GLY . 5967 1 28 . ALA . 5967 1 29 . ASP . 5967 1 30 . ASP . 5967 1 31 . THR . 5967 1 32 . VAL . 5967 1 33 . ILE . 5967 1 34 . GLU . 5967 1 35 . GLU . 5967 1 36 . MET . 5967 1 37 . SER . 5967 1 38 . LEU . 5967 1 39 . PRO . 5967 1 40 . GLY . 5967 1 41 . ARG . 5967 1 42 . TRP . 5967 1 43 . LYS . 5967 1 44 . PRO . 5967 1 45 . LYS . 5967 1 46 . MET . 5967 1 47 . ILE . 5967 1 48 . GLY . 5967 1 49 . GLY . 5967 1 50 . ILE . 5967 1 51 . GLY . 5967 1 52 . GLY . 5967 1 53 . PHE . 5967 1 54 . ILE . 5967 1 55 . LYS . 5967 1 56 . VAL . 5967 1 57 . ARG . 5967 1 58 . GLN . 5967 1 59 . TYR . 5967 1 60 . ASP . 5967 1 61 . GLN . 5967 1 62 . ILE . 5967 1 63 . ILE . 5967 1 64 . ILE . 5967 1 65 . GLU . 5967 1 66 . ILE . 5967 1 67 . ALA . 5967 1 68 . GLY . 5967 1 69 . HIS . 5967 1 70 . LYS . 5967 1 71 . ALA . 5967 1 72 . ILE . 5967 1 73 . GLY . 5967 1 74 . THR . 5967 1 75 . VAL . 5967 1 76 . LEU . 5967 1 77 . VAL . 5967 1 78 . GLY . 5967 1 79 . PRO . 5967 1 80 . THR . 5967 1 81 . PRO . 5967 1 82 . VAL . 5967 1 83 . ASN . 5967 1 84 . ILE . 5967 1 85 . ILE . 5967 1 86 . GLY . 5967 1 87 . ARG . 5967 1 88 . ASN . 5967 1 89 . LEU . 5967 1 90 . LEU . 5967 1 91 . THR . 5967 1 92 . GLN . 5967 1 93 . ILE . 5967 1 94 . GLY . 5967 1 95 . ALA . 5967 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 . PRO 1 1 5967 1 . GLN 2 2 5967 1 . ILE 3 3 5967 1 . THR 4 4 5967 1 . LEU 5 5 5967 1 . TRP 6 6 5967 1 . LYS 7 7 5967 1 . ARG 8 8 5967 1 . PRO 9 9 5967 1 . LEU 10 10 5967 1 . VAL 11 11 5967 1 . THR 12 12 5967 1 . ILE 13 13 5967 1 . LYS 14 14 5967 1 . ILE 15 15 5967 1 . GLY 16 16 5967 1 . GLY 17 17 5967 1 . GLN 18 18 5967 1 . LEU 19 19 5967 1 . LYS 20 20 5967 1 . GLU 21 21 5967 1 . ALA 22 22 5967 1 . LEU 23 23 5967 1 . LEU 24 24 5967 1 . ASP 25 25 5967 1 . THR 26 26 5967 1 . GLY 27 27 5967 1 . ALA 28 28 5967 1 . ASP 29 29 5967 1 . ASP 30 30 5967 1 . THR 31 31 5967 1 . VAL 32 32 5967 1 . ILE 33 33 5967 1 . GLU 34 34 5967 1 . GLU 35 35 5967 1 . MET 36 36 5967 1 . SER 37 37 5967 1 . LEU 38 38 5967 1 . PRO 39 39 5967 1 . GLY 40 40 5967 1 . ARG 41 41 5967 1 . TRP 42 42 5967 1 . LYS 43 43 5967 1 . PRO 44 44 5967 1 . LYS 45 45 5967 1 . MET 46 46 5967 1 . ILE 47 47 5967 1 . GLY 48 48 5967 1 . GLY 49 49 5967 1 . ILE 50 50 5967 1 . GLY 51 51 5967 1 . GLY 52 52 5967 1 . PHE 53 53 5967 1 . ILE 54 54 5967 1 . LYS 55 55 5967 1 . VAL 56 56 5967 1 . ARG 57 57 5967 1 . GLN 58 58 5967 1 . TYR 59 59 5967 1 . ASP 60 60 5967 1 . GLN 61 61 5967 1 . ILE 62 62 5967 1 . ILE 63 63 5967 1 . ILE 64 64 5967 1 . GLU 65 65 5967 1 . ILE 66 66 5967 1 . ALA 67 67 5967 1 . GLY 68 68 5967 1 . HIS 69 69 5967 1 . LYS 70 70 5967 1 . ALA 71 71 5967 1 . ILE 72 72 5967 1 . GLY 73 73 5967 1 . THR 74 74 5967 1 . VAL 75 75 5967 1 . LEU 76 76 5967 1 . VAL 77 77 5967 1 . GLY 78 78 5967 1 . PRO 79 79 5967 1 . THR 80 80 5967 1 . PRO 81 81 5967 1 . VAL 82 82 5967 1 . ASN 83 83 5967 1 . ILE 84 84 5967 1 . ILE 85 85 5967 1 . GLY 86 86 5967 1 . ARG 87 87 5967 1 . ASN 88 88 5967 1 . LEU 89 89 5967 1 . LEU 90 90 5967 1 . THR 91 91 5967 1 . GLN 92 92 5967 1 . ILE 93 93 5967 1 . GLY 94 94 5967 1 . ALA 95 95 5967 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 5967 _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 $HIV-1_protease . 11676 . . 'Lentivirus HIV-1' HIV-1 . . Viruses . Lentivirus HIV-1 . . . . . . . . . . . . . . . . . . . . . 5967 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 5967 _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 $HIV-1_protease . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5967 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5967 _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 . 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 'HIV-1 protease (E.C.3.4.23.16)' '[U-13C; U-15N]' . . 1 $HIV-1_protease . . 0.5 . . mM . . . . 5967 1 2 'phosphate buffer' . . . . . . . 20 . . mM . . . . 5967 1 3 D2O . . . . . . . 5 . . % . . . . 5967 1 4 H2O . . . . . . . 95 . . % . . . . 5967 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5967 _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 5.8 . na 5967 1 temperature 293 . K 5967 1 'ionic strength' 20 . mM 5967 1 pressure 1 . atm 5967 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 5967 _Software.ID 1 _Software.Name XWINNMR _Software.Version 2.6 _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 5967 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5967 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details D.Garrett loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5967 2 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 5967 _Software.ID 3 _Software.Name X-PLOR _Software.Version 1.0.6 _Software.Details 'C.D.Schwieters, J.J.Kuszewski, N.Tjandra, and G.M.Clore.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 5967 3 refinement 5967 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5967 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5967 _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 NMR_spectrometer Bruker DMX . 500 . . . 5967 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 5967 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5967 1 2 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5967 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5967 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5967 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5967 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 . . . . . . ppm . . . . . . . . . . . . . 5967 1 N 15 . . . . . . ppm . . . . . . . . . . . . . 5967 1 C 13 . . . . . . ppm . . . . . . . . . . . . . 5967 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_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5967 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 . 5967 1 2 '3D 15N-separated NOESY' 1 $sample_1 . 5967 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 PRO CA C 13 62.22 . . . . . . . . . . . 5967 1 2 . 1 1 1 1 PRO CB C 13 32.47 . . . . . . . . . . . 5967 1 3 . 1 1 2 2 GLN H H 1 8.797 . . . . . . . . . . . 5967 1 4 . 1 1 2 2 GLN N N 15 120.03 . . . . . . . . . . . 5967 1 5 . 1 1 2 2 GLN CA C 13 55.95 . . . . . . . . . . . 5967 1 6 . 1 1 2 2 GLN CB C 13 29.46 . . . . . . . . . . . 5967 1 7 . 1 1 3 3 ILE H H 1 8.431 . . . . . . . . . . . 5967 1 8 . 1 1 3 3 ILE N N 15 123.17 . . . . . . . . . . . 5967 1 9 . 1 1 3 3 ILE CA C 13 61.03 . . . . . . . . . . . 5967 1 10 . 1 1 3 3 ILE CB C 13 38.76 . . . . . . . . . . . 5967 1 11 . 1 1 4 4 THR H H 1 8.268 . . . . . . . . . . . 5967 1 12 . 1 1 4 4 THR N N 15 119.28 . . . . . . . . . . . 5967 1 13 . 1 1 4 4 THR CA C 13 61.56 . . . . . . . . . . . 5967 1 14 . 1 1 4 4 THR CB C 13 69.66 . . . . . . . . . . . 5967 1 15 . 1 1 5 5 LEU H H 1 8.231 . . . . . . . . . . . 5967 1 16 . 1 1 5 5 LEU N N 15 124.86 . . . . . . . . . . . 5967 1 17 . 1 1 5 5 LEU CA C 13 55.24 . . . . . . . . . . . 5967 1 18 . 1 1 5 5 LEU CB C 13 42.16 . . . . . . . . . . . 5967 1 19 . 1 1 6 6 TRP H H 1 7.945 . . . . . . . . . . . 5967 1 20 . 1 1 6 6 TRP N N 15 120.75 . . . . . . . . . . . 5967 1 21 . 1 1 6 6 TRP CA C 13 56.89 . . . . . . . . . . . 5967 1 22 . 1 1 6 6 TRP CB C 13 29.55 . . . . . . . . . . . 5967 1 23 . 1 1 7 7 LYS H H 1 8.127 . . . . . . . . . . . 5967 1 24 . 1 1 7 7 LYS N N 15 121.72 . . . . . . . . . . . 5967 1 25 . 1 1 7 7 LYS CA C 13 56.15 . . . . . . . . . . . 5967 1 26 . 1 1 7 7 LYS CB C 13 32.63 . . . . . . . . . . . 5967 1 27 . 1 1 8 8 ARG H H 1 7.969 . . . . . . . . . . . 5967 1 28 . 1 1 8 8 ARG N N 15 121.94 . . . . . . . . . . . 5967 1 29 . 1 1 8 8 ARG CA C 13 56.21 . . . . . . . . . . . 5967 1 30 . 1 1 8 8 ARG CB C 13 31.74 . . . . . . . . . . . 5967 1 31 . 1 1 9 9 PRO CA C 13 62.78 . . . . . . . . . . . 5967 1 32 . 1 1 9 9 PRO CB C 13 32.33 . . . . . . . . . . . 5967 1 33 . 1 1 10 10 LEU H H 1 7.951 . . . . . . . . . . . 5967 1 34 . 1 1 10 10 LEU N N 15 121.95 . . . . . . . . . . . 5967 1 35 . 1 1 10 10 LEU CA C 13 54.00 . . . . . . . . . . . 5967 1 36 . 1 1 10 10 LEU CB C 13 43.63 . . . . . . . . . . . 5967 1 37 . 1 1 11 11 VAL H H 1 9.221 . . . . . . . . . . . 5967 1 38 . 1 1 11 11 VAL N N 15 119.37 . . . . . . . . . . . 5967 1 39 . 1 1 11 11 VAL CA C 13 59.40 . . . . . . . . . . . 5967 1 40 . 1 1 11 11 VAL CB C 13 35.42 . . . . . . . . . . . 5967 1 41 . 1 1 12 12 THR H H 1 8.384 . . . . . . . . . . . 5967 1 42 . 1 1 12 12 THR N N 15 117.55 . . . . . . . . . . . 5967 1 43 . 1 1 12 12 THR CA C 13 62.78 . . . . . . . . . . . 5967 1 44 . 1 1 12 12 THR CB C 13 69.47 . . . . . . . . . . . 5967 1 45 . 1 1 13 13 ILE H H 1 9.262 . . . . . . . . . . . 5967 1 46 . 1 1 13 13 ILE N N 15 120.70 . . . . . . . . . . . 5967 1 47 . 1 1 13 13 ILE CA C 13 58.25 . . . . . . . . . . . 5967 1 48 . 1 1 13 13 ILE CB C 13 41.21 . . . . . . . . . . . 5967 1 49 . 1 1 14 14 LYS H H 1 8.555 . . . . . . . . . . . 5967 1 50 . 1 1 14 14 LYS N N 15 120.28 . . . . . . . . . . . 5967 1 51 . 1 1 14 14 LYS CA C 13 54.80 . . . . . . . . . . . 5967 1 52 . 1 1 14 14 LYS CB C 13 35.30 . . . . . . . . . . . 5967 1 53 . 1 1 15 15 ILE H H 1 8.973 . . . . . . . . . . . 5967 1 54 . 1 1 15 15 ILE N N 15 124.52 . . . . . . . . . . . 5967 1 55 . 1 1 15 15 ILE CA C 13 59.18 . . . . . . . . . . . 5967 1 56 . 1 1 15 15 ILE CB C 13 40.52 . . . . . . . . . . . 5967 1 57 . 1 1 16 16 GLY H H 1 9.611 . . . . . . . . . . . 5967 1 58 . 1 1 16 16 GLY N N 15 117.64 . . . . . . . . . . . 5967 1 59 . 1 1 16 16 GLY CA C 13 47.11 . . . . . . . . . . . 5967 1 60 . 1 1 17 17 GLY H H 1 8.864 . . . . . . . . . . . 5967 1 61 . 1 1 17 17 GLY N N 15 105.15 . . . . . . . . . . . 5967 1 62 . 1 1 17 17 GLY CA C 13 45.01 . . . . . . . . . . . 5967 1 63 . 1 1 18 18 GLN H H 1 8.020 . . . . . . . . . . . 5967 1 64 . 1 1 18 18 GLN N N 15 119.54 . . . . . . . . . . . 5967 1 65 . 1 1 18 18 GLN CA C 13 54.31 . . . . . . . . . . . 5967 1 66 . 1 1 18 18 GLN CB C 13 31.28 . . . . . . . . . . . 5967 1 67 . 1 1 19 19 LEU H H 1 8.488 . . . . . . . . . . . 5967 1 68 . 1 1 19 19 LEU N N 15 122.98 . . . . . . . . . . . 5967 1 69 . 1 1 19 19 LEU CA C 13 54.21 . . . . . . . . . . . 5967 1 70 . 1 1 19 19 LEU CB C 13 42.56 . . . . . . . . . . . 5967 1 71 . 1 1 20 20 LYS H H 1 9.030 . . . . . . . . . . . 5967 1 72 . 1 1 20 20 LYS N N 15 123.06 . . . . . . . . . . . 5967 1 73 . 1 1 20 20 LYS CA C 13 53.84 . . . . . . . . . . . 5967 1 74 . 1 1 20 20 LYS CB C 13 37.59 . . . . . . . . . . . 5967 1 75 . 1 1 21 21 GLU H H 1 8.617 . . . . . . . . . . . 5967 1 76 . 1 1 21 21 GLU N N 15 119.02 . . . . . . . . . . . 5967 1 77 . 1 1 21 21 GLU CA C 13 54.89 . . . . . . . . . . . 5967 1 78 . 1 1 21 21 GLU CB C 13 31.78 . . . . . . . . . . . 5967 1 79 . 1 1 22 22 ALA H H 1 9.441 . . . . . . . . . . . 5967 1 80 . 1 1 22 22 ALA N N 15 124.86 . . . . . . . . . . . 5967 1 81 . 1 1 22 22 ALA CA C 13 50.89 . . . . . . . . . . . 5967 1 82 . 1 1 22 22 ALA CB C 13 24.61 . . . . . . . . . . . 5967 1 83 . 1 1 23 23 LEU H H 1 8.700 . . . . . . . . . . . 5967 1 84 . 1 1 23 23 LEU N N 15 119.81 . . . . . . . . . . . 5967 1 85 . 1 1 23 23 LEU CA C 13 53.25 . . . . . . . . . . . 5967 1 86 . 1 1 23 23 LEU CB C 13 44.27 . . . . . . . . . . . 5967 1 87 . 1 1 24 24 LEU H H 1 8.475 . . . . . . . . . . . 5967 1 88 . 1 1 24 24 LEU N N 15 121.40 . . . . . . . . . . . 5967 1 89 . 1 1 24 24 LEU CA C 13 54.06 . . . . . . . . . . . 5967 1 90 . 1 1 24 24 LEU CB C 13 40.39 . . . . . . . . . . . 5967 1 91 . 1 1 25 25 ASP H H 1 8.956 . . . . . . . . . . . 5967 1 92 . 1 1 25 25 ASP N N 15 124.35 . . . . . . . . . . . 5967 1 93 . 1 1 25 25 ASP CA C 13 52.49 . . . . . . . . . . . 5967 1 94 . 1 1 25 25 ASP CB C 13 42.96 . . . . . . . . . . . 5967 1 95 . 1 1 26 26 THR H H 1 8.204 . . . . . . . . . . . 5967 1 96 . 1 1 26 26 THR N N 15 113.65 . . . . . . . . . . . 5967 1 97 . 1 1 26 26 THR CA C 13 63.55 . . . . . . . . . . . 5967 1 98 . 1 1 26 26 THR CB C 13 68.63 . . . . . . . . . . . 5967 1 99 . 1 1 27 27 GLY H H 1 8.794 . . . . . . . . . . . 5967 1 100 . 1 1 27 27 GLY N N 15 108.50 . . . . . . . . . . . 5967 1 101 . 1 1 27 27 GLY CA C 13 45.00 . . . . . . . . . . . 5967 1 102 . 1 1 28 28 ALA H H 1 7.377 . . . . . . . . . . . 5967 1 103 . 1 1 28 28 ALA N N 15 124.37 . . . . . . . . . . . 5967 1 104 . 1 1 28 28 ALA CA C 13 50.68 . . . . . . . . . . . 5967 1 105 . 1 1 28 28 ALA CB C 13 20.19 . . . . . . . . . . . 5967 1 106 . 1 1 29 29 ASP H H 1 8.716 . . . . . . . . . . . 5967 1 107 . 1 1 29 29 ASP N N 15 121.24 . . . . . . . . . . . 5967 1 108 . 1 1 29 29 ASP CA C 13 57.07 . . . . . . . . . . . 5967 1 109 . 1 1 29 29 ASP CB C 13 41.66 . . . . . . . . . . . 5967 1 110 . 1 1 30 30 ASP H H 1 7.616 . . . . . . . . . . . 5967 1 111 . 1 1 30 30 ASP N N 15 115.24 . . . . . . . . . . . 5967 1 112 . 1 1 30 30 ASP CA C 13 53.23 . . . . . . . . . . . 5967 1 113 . 1 1 30 30 ASP CB C 13 43.86 . . . . . . . . . . . 5967 1 114 . 1 1 31 31 THR H H 1 8.727 . . . . . . . . . . . 5967 1 115 . 1 1 31 31 THR N N 15 119.24 . . . . . . . . . . . 5967 1 116 . 1 1 31 31 THR CA C 13 62.98 . . . . . . . . . . . 5967 1 117 . 1 1 31 31 THR CB C 13 70.67 . . . . . . . . . . . 5967 1 118 . 1 1 32 32 VAL H H 1 8.835 . . . . . . . . . . . 5967 1 119 . 1 1 32 32 VAL N N 15 127.45 . . . . . . . . . . . 5967 1 120 . 1 1 32 32 VAL CA C 13 59.80 . . . . . . . . . . . 5967 1 121 . 1 1 32 32 VAL CB C 13 34.26 . . . . . . . . . . . 5967 1 122 . 1 1 33 33 ILE H H 1 9.104 . . . . . . . . . . . 5967 1 123 . 1 1 33 33 ILE N N 15 125.39 . . . . . . . . . . . 5967 1 124 . 1 1 33 33 ILE CA C 13 56.93 . . . . . . . . . . . 5967 1 125 . 1 1 33 33 ILE CB C 13 40.44 . . . . . . . . . . . 5967 1 126 . 1 1 34 34 GLU H H 1 8.149 . . . . . . . . . . . 5967 1 127 . 1 1 34 34 GLU N N 15 120.20 . . . . . . . . . . . 5967 1 128 . 1 1 34 34 GLU CA C 13 55.22 . . . . . . . . . . . 5967 1 129 . 1 1 34 34 GLU CB C 13 30.30 . . . . . . . . . . . 5967 1 130 . 1 1 35 35 GLU H H 1 7.209 . . . . . . . . . . . 5967 1 131 . 1 1 35 35 GLU N N 15 115.24 . . . . . . . . . . . 5967 1 132 . 1 1 35 35 GLU CA C 13 58.15 . . . . . . . . . . . 5967 1 133 . 1 1 35 35 GLU CB C 13 30.13 . . . . . . . . . . . 5967 1 134 . 1 1 36 36 MET H H 1 7.037 . . . . . . . . . . . 5967 1 135 . 1 1 36 36 MET N N 15 120.08 . . . . . . . . . . . 5967 1 136 . 1 1 36 36 MET CA C 13 54.65 . . . . . . . . . . . 5967 1 137 . 1 1 36 36 MET CB C 13 34.02 . . . . . . . . . . . 5967 1 138 . 1 1 37 37 SER H H 1 8.563 . . . . . . . . . . . 5967 1 139 . 1 1 37 37 SER N N 15 115.37 . . . . . . . . . . . 5967 1 140 . 1 1 37 37 SER CA C 13 57.46 . . . . . . . . . . . 5967 1 141 . 1 1 37 37 SER CB C 13 62.73 . . . . . . . . . . . 5967 1 142 . 1 1 38 38 LEU H H 1 7.638 . . . . . . . . . . . 5967 1 143 . 1 1 38 38 LEU N N 15 126.36 . . . . . . . . . . . 5967 1 144 . 1 1 38 38 LEU CA C 13 51.75 . . . . . . . . . . . 5967 1 145 . 1 1 39 39 PRO CA C 13 62.64 . . . . . . . . . . . 5967 1 146 . 1 1 39 39 PRO CB C 13 32.29 . . . . . . . . . . . 5967 1 147 . 1 1 40 40 GLY H H 1 8.419 . . . . . . . . . . . 5967 1 148 . 1 1 40 40 GLY N N 15 105.84 . . . . . . . . . . . 5967 1 149 . 1 1 40 40 GLY CA C 13 44.34 . . . . . . . . . . . 5967 1 150 . 1 1 41 41 ARG H H 1 8.456 . . . . . . . . . . . 5967 1 151 . 1 1 41 41 ARG N N 15 118.72 . . . . . . . . . . . 5967 1 152 . 1 1 41 41 ARG CA C 13 56.06 . . . . . . . . . . . 5967 1 153 . 1 1 41 41 ARG CB C 13 31.13 . . . . . . . . . . . 5967 1 154 . 1 1 42 42 TRP H H 1 7.466 . . . . . . . . . . . 5967 1 155 . 1 1 42 42 TRP N N 15 117.81 . . . . . . . . . . . 5967 1 156 . 1 1 42 42 TRP CA C 13 53.98 . . . . . . . . . . . 5967 1 157 . 1 1 42 42 TRP CB C 13 31.10 . . . . . . . . . . . 5967 1 158 . 1 1 43 43 LYS H H 1 8.435 . . . . . . . . . . . 5967 1 159 . 1 1 43 43 LYS N N 15 117.90 . . . . . . . . . . . 5967 1 160 . 1 1 43 43 LYS CA C 13 53.76 . . . . . . . . . . . 5967 1 161 . 1 1 44 44 PRO CA C 13 62.98 . . . . . . . . . . . 5967 1 162 . 1 1 44 44 PRO CB C 13 32.40 . . . . . . . . . . . 5967 1 163 . 1 1 45 45 LYS H H 1 8.587 . . . . . . . . . . . 5967 1 164 . 1 1 45 45 LYS N N 15 121.73 . . . . . . . . . . . 5967 1 165 . 1 1 45 45 LYS CA C 13 55.49 . . . . . . . . . . . 5967 1 166 . 1 1 45 45 LYS CB C 13 36.69 . . . . . . . . . . . 5967 1 167 . 1 1 46 46 MET H H 1 8.409 . . . . . . . . . . . 5967 1 168 . 1 1 46 46 MET N N 15 121.99 . . . . . . . . . . . 5967 1 169 . 1 1 46 46 MET CA C 13 53.85 . . . . . . . . . . . 5967 1 170 . 1 1 46 46 MET CB C 13 33.91 . . . . . . . . . . . 5967 1 171 . 1 1 47 47 ILE H H 1 8.932 . . . . . . . . . . . 5967 1 172 . 1 1 47 47 ILE N N 15 118.37 . . . . . . . . . . . 5967 1 173 . 1 1 47 47 ILE CA C 13 59.39 . . . . . . . . . . . 5967 1 174 . 1 1 47 47 ILE CB C 13 41.96 . . . . . . . . . . . 5967 1 175 . 1 1 48 48 GLY H H 1 8.641 . . . . . . . . . . . 5967 1 176 . 1 1 48 48 GLY N N 15 109.65 . . . . . . . . . . . 5967 1 177 . 1 1 48 48 GLY CA C 13 45.34 . . . . . . . . . . . 5967 1 178 . 1 1 49 49 GLY H H 1 7.621 . . . . . . . . . . . 5967 1 179 . 1 1 49 49 GLY N N 15 110.24 . . . . . . . . . . . 5967 1 180 . 1 1 49 49 GLY CA C 13 44.51 . . . . . . . . . . . 5967 1 181 . 1 1 50 50 ILE H H 1 8.567 . . . . . . . . . . . 5967 1 182 . 1 1 50 50 ILE N N 15 121.86 . . . . . . . . . . . 5967 1 183 . 1 1 50 50 ILE CA C 13 62.94 . . . . . . . . . . . 5967 1 184 . 1 1 50 50 ILE CB C 13 37.36 . . . . . . . . . . . 5967 1 185 . 1 1 51 51 GLY H H 1 8.720 . . . . . . . . . . . 5967 1 186 . 1 1 51 51 GLY N N 15 112.54 . . . . . . . . . . . 5967 1 187 . 1 1 51 51 GLY CA C 13 45.01 . . . . . . . . . . . 5967 1 188 . 1 1 52 52 GLY H H 1 7.545 . . . . . . . . . . . 5967 1 189 . 1 1 52 52 GLY N N 15 108.06 . . . . . . . . . . . 5967 1 190 . 1 1 52 52 GLY CA C 13 44.50 . . . . . . . . . . . 5967 1 191 . 1 1 53 53 PHE H H 1 8.455 . . . . . . . . . . . 5967 1 192 . 1 1 53 53 PHE N N 15 119.57 . . . . . . . . . . . 5967 1 193 . 1 1 53 53 PHE CA C 13 57.90 . . . . . . . . . . . 5967 1 194 . 1 1 53 53 PHE CB C 13 40.84 . . . . . . . . . . . 5967 1 195 . 1 1 54 54 ILE H H 1 9.251 . . . . . . . . . . . 5967 1 196 . 1 1 54 54 ILE N N 15 119.27 . . . . . . . . . . . 5967 1 197 . 1 1 54 54 ILE CA C 13 59.83 . . . . . . . . . . . 5967 1 198 . 1 1 54 54 ILE CB C 13 41.64 . . . . . . . . . . . 5967 1 199 . 1 1 55 55 LYS H H 1 8.434 . . . . . . . . . . . 5967 1 200 . 1 1 55 55 LYS N N 15 124.67 . . . . . . . . . . . 5967 1 201 . 1 1 55 55 LYS CA C 13 56.35 . . . . . . . . . . . 5967 1 202 . 1 1 55 55 LYS CB C 13 32.83 . . . . . . . . . . . 5967 1 203 . 1 1 56 56 VAL H H 1 8.980 . . . . . . . . . . . 5967 1 204 . 1 1 56 56 VAL N N 15 116.65 . . . . . . . . . . . 5967 1 205 . 1 1 56 56 VAL CA C 13 58.27 . . . . . . . . . . . 5967 1 206 . 1 1 56 56 VAL CB C 13 35.44 . . . . . . . . . . . 5967 1 207 . 1 1 57 57 ARG H H 1 8.916 . . . . . . . . . . . 5967 1 208 . 1 1 57 57 ARG N N 15 118.76 . . . . . . . . . . . 5967 1 209 . 1 1 57 57 ARG CA C 13 55.46 . . . . . . . . . . . 5967 1 210 . 1 1 57 57 ARG CB C 13 32.27 . . . . . . . . . . . 5967 1 211 . 1 1 58 58 GLN H H 1 9.685 . . . . . . . . . . . 5967 1 212 . 1 1 58 58 GLN N N 15 123.49 . . . . . . . . . . . 5967 1 213 . 1 1 58 58 GLN CA C 13 55.64 . . . . . . . . . . . 5967 1 214 . 1 1 58 58 GLN CB C 13 29.89 . . . . . . . . . . . 5967 1 215 . 1 1 59 59 TYR H H 1 9.300 . . . . . . . . . . . 5967 1 216 . 1 1 59 59 TYR N N 15 129.02 . . . . . . . . . . . 5967 1 217 . 1 1 59 59 TYR CA C 13 57.49 . . . . . . . . . . . 5967 1 218 . 1 1 59 59 TYR CB C 13 40.99 . . . . . . . . . . . 5967 1 219 . 1 1 60 60 ASP H H 1 8.868 . . . . . . . . . . . 5967 1 220 . 1 1 60 60 ASP N N 15 120.29 . . . . . . . . . . . 5967 1 221 . 1 1 60 60 ASP CA C 13 53.78 . . . . . . . . . . . 5967 1 222 . 1 1 60 60 ASP CB C 13 43.25 . . . . . . . . . . . 5967 1 223 . 1 1 61 61 GLN H H 1 8.906 . . . . . . . . . . . 5967 1 224 . 1 1 61 61 GLN N N 15 114.31 . . . . . . . . . . . 5967 1 225 . 1 1 61 61 GLN CA C 13 56.46 . . . . . . . . . . . 5967 1 226 . 1 1 61 61 GLN CB C 13 26.88 . . . . . . . . . . . 5967 1 227 . 1 1 62 62 ILE H H 1 8.681 . . . . . . . . . . . 5967 1 228 . 1 1 62 62 ILE N N 15 121.01 . . . . . . . . . . . 5967 1 229 . 1 1 62 62 ILE CA C 13 57.57 . . . . . . . . . . . 5967 1 230 . 1 1 62 62 ILE CB C 13 37.01 . . . . . . . . . . . 5967 1 231 . 1 1 63 63 ILE H H 1 8.076 . . . . . . . . . . . 5967 1 232 . 1 1 63 63 ILE N N 15 124.32 . . . . . . . . . . . 5967 1 233 . 1 1 63 63 ILE CA C 13 60.90 . . . . . . . . . . . 5967 1 234 . 1 1 63 63 ILE CB C 13 38.64 . . . . . . . . . . . 5967 1 235 . 1 1 64 64 ILE H H 1 9.065 . . . . . . . . . . . 5967 1 236 . 1 1 64 64 ILE N N 15 127.33 . . . . . . . . . . . 5967 1 237 . 1 1 64 64 ILE CA C 13 59.39 . . . . . . . . . . . 5967 1 238 . 1 1 64 64 ILE CB C 13 41.34 . . . . . . . . . . . 5967 1 239 . 1 1 65 65 GLU H H 1 8.501 . . . . . . . . . . . 5967 1 240 . 1 1 65 65 GLU N N 15 123.83 . . . . . . . . . . . 5967 1 241 . 1 1 65 65 GLU CA C 13 54.52 . . . . . . . . . . . 5967 1 242 . 1 1 65 65 GLU CB C 13 31.92 . . . . . . . . . . . 5967 1 243 . 1 1 66 66 ILE H H 1 9.094 . . . . . . . . . . . 5967 1 244 . 1 1 66 66 ILE N N 15 125.50 . . . . . . . . . . . 5967 1 245 . 1 1 66 66 ILE CA C 13 60.89 . . . . . . . . . . . 5967 1 246 . 1 1 66 66 ILE CB C 13 40.05 . . . . . . . . . . . 5967 1 247 . 1 1 67 67 ALA H H 1 9.221 . . . . . . . . . . . 5967 1 248 . 1 1 67 67 ALA N N 15 131.63 . . . . . . . . . . . 5967 1 249 . 1 1 67 67 ALA CA C 13 53.13 . . . . . . . . . . . 5967 1 250 . 1 1 67 67 ALA CB C 13 17.15 . . . . . . . . . . . 5967 1 251 . 1 1 68 68 GLY H H 1 8.553 . . . . . . . . . . . 5967 1 252 . 1 1 68 68 GLY N N 15 102.32 . . . . . . . . . . . 5967 1 253 . 1 1 68 68 GLY CA C 13 45.27 . . . . . . . . . . . 5967 1 254 . 1 1 69 69 HIS H H 1 8.152 . . . . . . . . . . . 5967 1 255 . 1 1 69 69 HIS N N 15 118.75 . . . . . . . . . . . 5967 1 256 . 1 1 69 69 HIS CA C 13 54.14 . . . . . . . . . . . 5967 1 257 . 1 1 69 69 HIS CB C 13 30.05 . . . . . . . . . . . 5967 1 258 . 1 1 70 70 LYS H H 1 8.906 . . . . . . . . . . . 5967 1 259 . 1 1 70 70 LYS N N 15 124.41 . . . . . . . . . . . 5967 1 260 . 1 1 70 70 LYS CA C 13 57.14 . . . . . . . . . . . 5967 1 261 . 1 1 70 70 LYS CB C 13 33.68 . . . . . . . . . . . 5967 1 262 . 1 1 71 71 ALA H H 1 8.952 . . . . . . . . . . . 5967 1 263 . 1 1 71 71 ALA N N 15 127.33 . . . . . . . . . . . 5967 1 264 . 1 1 71 71 ALA CA C 13 50.65 . . . . . . . . . . . 5967 1 265 . 1 1 71 71 ALA CB C 13 23.21 . . . . . . . . . . . 5967 1 266 . 1 1 72 72 ILE H H 1 8.643 . . . . . . . . . . . 5967 1 267 . 1 1 72 72 ILE N N 15 118.00 . . . . . . . . . . . 5967 1 268 . 1 1 72 72 ILE CA C 13 58.75 . . . . . . . . . . . 5967 1 269 . 1 1 72 72 ILE CB C 13 41.28 . . . . . . . . . . . 5967 1 270 . 1 1 73 73 GLY H H 1 8.951 . . . . . . . . . . . 5967 1 271 . 1 1 73 73 GLY N N 15 113.76 . . . . . . . . . . . 5967 1 272 . 1 1 73 73 GLY CA C 13 46.14 . . . . . . . . . . . 5967 1 273 . 1 1 74 74 THR H H 1 8.602 . . . . . . . . . . . 5967 1 274 . 1 1 74 74 THR N N 15 118.19 . . . . . . . . . . . 5967 1 275 . 1 1 74 74 THR CA C 13 63.22 . . . . . . . . . . . 5967 1 276 . 1 1 74 74 THR CB C 13 70.20 . . . . . . . . . . . 5967 1 277 . 1 1 75 75 VAL H H 1 9.156 . . . . . . . . . . . 5967 1 278 . 1 1 75 75 VAL N N 15 124.73 . . . . . . . . . . . 5967 1 279 . 1 1 75 75 VAL CA C 13 60.70 . . . . . . . . . . . 5967 1 280 . 1 1 75 75 VAL CB C 13 35.94 . . . . . . . . . . . 5967 1 281 . 1 1 76 76 LEU H H 1 8.456 . . . . . . . . . . . 5967 1 282 . 1 1 76 76 LEU N N 15 124.59 . . . . . . . . . . . 5967 1 283 . 1 1 76 76 LEU CA C 13 52.74 . . . . . . . . . . . 5967 1 284 . 1 1 76 76 LEU CB C 13 41.48 . . . . . . . . . . . 5967 1 285 . 1 1 77 77 VAL H H 1 9.170 . . . . . . . . . . . 5967 1 286 . 1 1 77 77 VAL N N 15 122.19 . . . . . . . . . . . 5967 1 287 . 1 1 77 77 VAL CA C 13 60.13 . . . . . . . . . . . 5967 1 288 . 1 1 77 77 VAL CB C 13 34.74 . . . . . . . . . . . 5967 1 289 . 1 1 78 78 GLY H H 1 9.185 . . . . . . . . . . . 5967 1 290 . 1 1 78 78 GLY N N 15 115.02 . . . . . . . . . . . 5967 1 291 . 1 1 78 78 GLY CA C 13 45.74 . . . . . . . . . . . 5967 1 292 . 1 1 79 79 PRO CA C 13 63.25 . . . . . . . . . . . 5967 1 293 . 1 1 79 79 PRO CB C 13 29.09 . . . . . . . . . . . 5967 1 294 . 1 1 80 80 THR H H 1 8.278 . . . . . . . . . . . 5967 1 295 . 1 1 80 80 THR N N 15 119.30 . . . . . . . . . . . 5967 1 296 . 1 1 80 80 THR CA C 13 56.90 . . . . . . . . . . . 5967 1 297 . 1 1 80 80 THR CB C 13 70.34 . . . . . . . . . . . 5967 1 298 . 1 1 81 81 PRO CA C 13 63.91 . . . . . . . . . . . 5967 1 299 . 1 1 81 81 PRO CB C 13 32.09 . . . . . . . . . . . 5967 1 300 . 1 1 82 82 VAL H H 1 7.165 . . . . . . . . . . . 5967 1 301 . 1 1 82 82 VAL N N 15 113.70 . . . . . . . . . . . 5967 1 302 . 1 1 82 82 VAL CA C 13 59.54 . . . . . . . . . . . 5967 1 303 . 1 1 82 82 VAL CB C 13 35.34 . . . . . . . . . . . 5967 1 304 . 1 1 83 83 ASN H H 1 8.652 . . . . . . . . . . . 5967 1 305 . 1 1 83 83 ASN N N 15 124.90 . . . . . . . . . . . 5967 1 306 . 1 1 83 83 ASN CA C 13 53.44 . . . . . . . . . . . 5967 1 307 . 1 1 83 83 ASN CB C 13 38.34 . . . . . . . . . . . 5967 1 308 . 1 1 84 84 ILE H H 1 9.379 . . . . . . . . . . . 5967 1 309 . 1 1 84 84 ILE N N 15 124.52 . . . . . . . . . . . 5967 1 310 . 1 1 84 84 ILE CA C 13 59.97 . . . . . . . . . . . 5967 1 311 . 1 1 84 84 ILE CB C 13 42.11 . . . . . . . . . . . 5967 1 312 . 1 1 85 85 ILE H H 1 9.018 . . . . . . . . . . . 5967 1 313 . 1 1 85 85 ILE N N 15 125.35 . . . . . . . . . . . 5967 1 314 . 1 1 85 85 ILE CA C 13 58.26 . . . . . . . . . . . 5967 1 315 . 1 1 85 85 ILE CB C 13 35.30 . . . . . . . . . . . 5967 1 316 . 1 1 86 86 GLY H H 1 8.377 . . . . . . . . . . . 5967 1 317 . 1 1 86 86 GLY N N 15 113.98 . . . . . . . . . . . 5967 1 318 . 1 1 86 86 GLY CA C 13 43.25 . . . . . . . . . . . 5967 1 319 . 1 1 87 87 ARG H H 1 9.101 . . . . . . . . . . . 5967 1 320 . 1 1 87 87 ARG N N 15 116.39 . . . . . . . . . . . 5967 1 321 . 1 1 87 87 ARG CA C 13 59.69 . . . . . . . . . . . 5967 1 322 . 1 1 87 87 ARG CB C 13 31.16 . . . . . . . . . . . 5967 1 323 . 1 1 88 88 ASN H H 1 8.123 . . . . . . . . . . . 5967 1 324 . 1 1 88 88 ASN N N 15 115.23 . . . . . . . . . . . 5967 1 325 . 1 1 88 88 ASN CA C 13 56.61 . . . . . . . . . . . 5967 1 326 . 1 1 88 88 ASN CB C 13 36.45 . . . . . . . . . . . 5967 1 327 . 1 1 89 89 LEU H H 1 7.227 . . . . . . . . . . . 5967 1 328 . 1 1 89 89 LEU N N 15 117.30 . . . . . . . . . . . 5967 1 329 . 1 1 89 89 LEU CA C 13 55.84 . . . . . . . . . . . 5967 1 330 . 1 1 89 89 LEU CB C 13 42.08 . . . . . . . . . . . 5967 1 331 . 1 1 90 90 LEU H H 1 8.005 . . . . . . . . . . . 5967 1 332 . 1 1 90 90 LEU N N 15 117.93 . . . . . . . . . . . 5967 1 333 . 1 1 90 90 LEU CA C 13 57.78 . . . . . . . . . . . 5967 1 334 . 1 1 90 90 LEU CB C 13 41.41 . . . . . . . . . . . 5967 1 335 . 1 1 91 91 THR H H 1 8.096 . . . . . . . . . . . 5967 1 336 . 1 1 91 91 THR N N 15 110.18 . . . . . . . . . . . 5967 1 337 . 1 1 91 91 THR CA C 13 64.36 . . . . . . . . . . . 5967 1 338 . 1 1 91 91 THR CB C 13 68.99 . . . . . . . . . . . 5967 1 339 . 1 1 92 92 GLN H H 1 7.460 . . . . . . . . . . . 5967 1 340 . 1 1 92 92 GLN N N 15 117.87 . . . . . . . . . . . 5967 1 341 . 1 1 92 92 GLN CA C 13 56.99 . . . . . . . . . . . 5967 1 342 . 1 1 92 92 GLN CB C 13 29.81 . . . . . . . . . . . 5967 1 343 . 1 1 93 93 ILE H H 1 7.271 . . . . . . . . . . . 5967 1 344 . 1 1 93 93 ILE N N 15 113.40 . . . . . . . . . . . 5967 1 345 . 1 1 93 93 ILE CA C 13 61.00 . . . . . . . . . . . 5967 1 346 . 1 1 93 93 ILE CB C 13 38.20 . . . . . . . . . . . 5967 1 347 . 1 1 94 94 GLY H H 1 7.819 . . . . . . . . . . . 5967 1 348 . 1 1 94 94 GLY N N 15 110.43 . . . . . . . . . . . 5967 1 349 . 1 1 94 94 GLY CA C 13 45.49 . . . . . . . . . . . 5967 1 350 . 1 1 95 95 ALA H H 1 7.675 . . . . . . . . . . . 5967 1 351 . 1 1 95 95 ALA N N 15 128.52 . . . . . . . . . . . 5967 1 352 . 1 1 95 95 ALA CA C 13 53.32 . . . . . . . . . . . 5967 1 353 . 1 1 95 95 ALA CB C 13 20.35 . . . . . . . . . . . 5967 1 stop_ save_