data_5967 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the mature HIV-1 protease monomer ; _BMRB_accession_number 5967 _BMRB_flat_file_name bmr5967.str _Entry_type original _Submission_date 2003-10-13 _Accession_date 2003-10-13 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ishima R. . . 2 Torchia D. A. . 3 Lynch S. M. . 4 Gronenborn A. M. . 5 Louis J. M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 89 "13C chemical shifts" 175 "15N chemical shifts" 89 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-05-15 original author . stop_ _Original_release_date 2004-05-15 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _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 _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 12933791 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ishima R. . . 2 Torchia D. A. . 3 Lynch S. M. . 4 Gronenborn A. M. . 5 Louis J. M. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 278 _Journal_issue 44 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 43311 _Page_last 43319 _Year 2003 _Details . loop_ _Keyword 'HIV-1 protease' stop_ save_ ################################## # Molecular system description # ################################## save_system_HIV-1_protease _Saveframe_category molecular_system _Mol_system_name 'HIV-1 protease (E.C.3.4.23.16)' _Abbreviation_common 'HIV-1 protease (E.C.3.4.23.16)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HIV-1 protease' $HIV-1_protease stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HIV-1_protease _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'HIV-1 protease (E.C.3.4.23.16)' _Abbreviation_common 'HIV-1 protease (E.C.3.4.23.16)' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 95 _Mol_residue_sequence ; PQITLWKRPLVTIKIGGQLK EALLDTGADDTVIEEMSLPG RWKPKMIGGIGGFIKVRQYD QIIIEIAGHKAIGTVLVGPT PVNIIGRNLLTQIGA ; loop_ _Residue_seq_code _Residue_label 1 PRO 2 GLN 3 ILE 4 THR 5 LEU 6 TRP 7 LYS 8 ARG 9 PRO 10 LEU 11 VAL 12 THR 13 ILE 14 LYS 15 ILE 16 GLY 17 GLY 18 GLN 19 LEU 20 LYS 21 GLU 22 ALA 23 LEU 24 LEU 25 ASP 26 THR 27 GLY 28 ALA 29 ASP 30 ASP 31 THR 32 VAL 33 ILE 34 GLU 35 GLU 36 MET 37 SER 38 LEU 39 PRO 40 GLY 41 ARG 42 TRP 43 LYS 44 PRO 45 LYS 46 MET 47 ILE 48 GLY 49 GLY 50 ILE 51 GLY 52 GLY 53 PHE 54 ILE 55 LYS 56 VAL 57 ARG 58 GLN 59 TYR 60 ASP 61 GLN 62 ILE 63 ILE 64 ILE 65 GLU 66 ILE 67 ALA 68 GLY 69 HIS 70 LYS 71 ALA 72 ILE 73 GLY 74 THR 75 VAL 76 LEU 77 VAL 78 GLY 79 PRO 80 THR 81 PRO 82 VAL 83 ASN 84 ILE 85 ILE 86 GLY 87 ARG 88 ASN 89 LEU 90 LEU 91 THR 92 GLN 93 ILE 94 GLY 95 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 16416 HIV-PR 100.00 99 97.89 100.00 3.80e-58 PDB 1A30 "Hiv-1 Protease Complexed With A Tripeptide Inhibitor" 100.00 99 97.89 97.89 1.75e-57 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 PDB 1A94 "Structural Basis For Specificity Of Retroviral Proteases" 100.00 99 98.95 100.00 7.15e-58 PDB 1D4Y "Hiv-1 Protease Triple MutantTIPRANAVIR COMPLEX" 100.00 99 97.89 97.89 1.75e-57 PDB 1DAZ "Structural And Kinetic Analysis Of Drug Resistant Mutants Of Hiv-1 Protease" 100.00 99 98.95 98.95 2.82e-57 PDB 1DW6 "Structural And Kinetic Analysis Of Drug Resistant Mutants Of Hiv-1 Protease" 100.00 99 98.95 100.00 3.06e-58 PDB 1EBK "Structural And Kinetic Analysis Of Drug Resistant Mutants Of Hiv-1 Protease" 100.00 99 98.95 100.00 8.61e-58 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 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 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 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 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 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 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 PDB 1HPO "Hiv-1 Protease Triple MutantU103265 COMPLEX" 100.00 99 97.89 97.89 1.75e-57 PDB 1K1T "Combining Mutations In Hiv-1 Protease To Understand Mechanisms Of Resistance" 100.00 99 97.89 97.89 1.56e-56 PDB 1K1U "Combining Mutations In Hiv-1 Protease To Understand Mechanisms Of Resistance" 100.00 99 97.89 98.95 5.14e-57 PDB 1K2B "Combining Mutations In Hiv-1 Protease To Understand Mechanisms Of Resistance" 100.00 99 97.89 100.00 1.77e-57 PDB 1K2C "Combining Mutations In Hiv-1 Protease To Understand Mechanisms Of Resistance" 100.00 99 97.89 98.95 3.36e-57 PDB 1MRW "Structure Of Hiv Protease (Mutant Q7k L33i L63i) Complexed With Kni- 577" 100.00 99 97.89 97.89 1.75e-57 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 PDB 1Q9P "Solution Structure Of The Mature Hiv-1 Protease Monomer" 100.00 95 100.00 100.00 2.38e-58 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 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 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 PDB 1ZTZ "Crystal Structure Of Hiv Protease- Metallacarborane Complex" 100.00 99 97.89 97.89 1.75e-57 PDB 2A1E "High Resolution Structure Of Hiv-1 Pr With Ts-126" 100.00 99 100.00 100.00 2.11e-58 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 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 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 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 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 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 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 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 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 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 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 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 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 PDB 2F80 "Hiv-1 Protease Mutant D30n Complexed With Inhibitor Tmc114" 100.00 99 98.95 100.00 6.92e-58 PDB 2F81 "Hiv-1 Protease Mutant L90m Complexed With Inhibitor Tmc114" 100.00 99 98.95 100.00 3.06e-58 PDB 2F8G "Hiv-1 Protease Mutant I50v Complexed With Inhibitor Tmc114" 100.00 99 98.95 100.00 2.68e-58 PDB 2G69 "Structure Of Unliganded Hiv-1 Protease F53l Mutant" 100.00 99 98.95 98.95 1.87e-57 PDB 2HB3 "Wild-Type Hiv-1 Protease In Complex With Potent Inhibitor Grl06579" 100.00 99 100.00 100.00 2.11e-58 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 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 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 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 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 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 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 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 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 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 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 PDB 2QCI "Hiv-1 Protease Mutant D30n With Potent Antiviral Inhibitor Grl-98065" 100.00 99 98.95 100.00 6.92e-58 PDB 2QD6 "Hiv-1 Protease Mutant I50v With Potent Antiviral Inhibitor Grl-98065" 100.00 99 98.95 100.00 2.68e-58 PDB 2QD7 "Hiv-1 Protease Mutant V82a With Potent Antiviral Inhibitor Grl-98065" 100.00 99 98.95 98.95 5.81e-58 PDB 2QD8 "Hiv-1 Protease Mutant I84v With Potent Antiviral Inhibitor Grl-98065" 100.00 99 98.95 100.00 2.68e-58 PDB 2Z4O "Wild Type Hiv-1 Protease With Potent Antiviral Inhibitor Grl-98065" 100.00 99 100.00 100.00 2.11e-58 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 PDB 3A2O "Crystal Structure Of Hiv-1 Protease Complexed With Kni-1689" 100.00 99 100.00 100.00 2.11e-58 PDB 3B7V "Hiv-1 Protease Complexed With Gem-Diol-Amine Tetrahedral Intermediate Nlltqi" 100.00 99 100.00 100.00 2.11e-58 PDB 3B80 "Hiv-1 Protease Mutant I54v Complexed With Gem-Diol-Amine Intermediate Nlltqi" 100.00 99 98.95 100.00 2.68e-58 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 PDB 3BVB "Cystal Structure Of Hiv-1 Active Site Mutant D25n And Inhibitor Darunavir" 100.00 99 98.95 100.00 6.92e-58 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 PDB 3CYX "Crystal Structure Of Hiv-1 Mutant I50v And Inhibitor Saquinavira" 100.00 99 98.95 100.00 2.68e-58 PDB 3D1X "Crystal Structure Of Hiv-1 Mutant I54m And Inhibitor Saquinavir" 100.00 99 98.95 100.00 3.76e-58 PDB 3D1Y "Crystal Structure Of Hiv-1 Mutant I54v And Inhibitor Saquina" 100.00 99 98.95 100.00 2.68e-58 PDB 3D1Z "Crystal Structure Of Hiv-1 Mutant I54m And Inhibitor Darunavir" 100.00 99 98.95 100.00 3.76e-58 PDB 3D20 "Crystal Structure Of Hiv-1 Mutant I54v And Inhibitor Darunavia" 100.00 99 98.95 100.00 2.68e-58 PDB 3DJK "Wild Type Hiv-1 Protease With Potent Antiviral Inhibitor Grl-0255a" 100.00 99 100.00 100.00 2.11e-58 PDB 3DK1 "Wild Type Hiv-1 Protease With Potent Antiviral Inhibitor Grl-0105a" 100.00 99 100.00 100.00 2.11e-58 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 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 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 PDB 3I8W "Crystal Structure Of A Metallacarborane Inhibitor Bound To Hiv Protease" 100.00 99 97.89 97.89 1.75e-57 PDB 3JVW "Hiv-1 Protease Mutant G86a With Symmetric Inhibitor Dmp323" 100.00 99 98.95 98.95 7.00e-58 PDB 3JVY "Hiv-1 Protease Mutant G86a With Darunavir" 100.00 99 98.95 98.95 7.00e-58 PDB 3JW2 "Hiv-1 Protease Mutant G86s With Darunavir" 100.00 99 98.95 98.95 7.15e-58 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 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 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 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 PDB 3NDT "Hiv-1 Protease Saquinavir:ritonavir 1:1 Complex Structure" 100.00 100 100.00 100.00 2.17e-58 PDB 3NDU "Hiv-1 Protease Saquinavir:ritonavir 1:5 Complex Structure" 100.00 100 100.00 100.00 2.17e-58 PDB 3NDW "Hiv-1 Protease Saquinavir:ritonavir 1:15 Complex Structure" 100.00 99 100.00 100.00 2.11e-58 PDB 3NDX "Hiv-1 Protease Saquinavir:ritonavir 1:50 Complex Structure" 100.00 99 100.00 100.00 2.11e-58 PDB 3NLS "Crystal Structure Of Hiv-1 Protease In Complex With Kni-10772" 100.00 99 97.89 97.89 1.75e-57 PDB 3NU3 "Wild Type Hiv-1 Protease With Antiviral Drug Amprenavir" 100.00 99 100.00 100.00 2.11e-58 PDB 3NU4 "Crystal Structure Of Hiv-1 Protease Mutant V32i With Antiviral Drug Amprenavir" 100.00 99 98.95 100.00 3.97e-58 PDB 3NU5 "Crystal Structure Of Hiv-1 Protease Mutant I50v With Antiviral Drug Amprenavir" 100.00 99 98.95 100.00 2.68e-58 PDB 3NU6 "Crystal Structure Of Hiv-1 Protease Mutant I54m With Antiviral Drug Amprenavir" 100.00 99 98.95 100.00 3.76e-58 PDB 3NU9 "Crystal Structure Of Hiv-1 Protease Mutant I84v With Antiviral Drug Amprenavir" 100.00 99 98.95 100.00 2.68e-58 PDB 3NUJ "Crystal Structure Of Hiv-1 Protease Mutant I54v With Antiviral Drug Amprenavir" 100.00 99 98.95 100.00 2.68e-58 PDB 3NUO "Crystal Structure Of Hiv-1 Protease Mutant L90m With Antiviral Drug Amprenavir" 100.00 99 98.95 100.00 3.06e-58 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 PDB 3OXC "Wild Type Hiv-1 Protease With Antiviral Drug Saquinavir" 100.00 99 100.00 100.00 2.11e-58 PDB 3PWM "Hiv-1 Protease Mutant L76v With Darunavir" 100.00 99 98.95 100.00 6.70e-58 PDB 3PWR "Hiv-1 Protease Mutant L76v Complexed With Saquinavir" 100.00 99 98.95 100.00 6.70e-58 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 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 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 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 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 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 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 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 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 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 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 PDB 3TKG "Crystal Structure Of Hiv Model Protease PrecursorSAQUINAVIR COMPLEX" 100.00 103 100.00 100.00 1.13e-58 PDB 3TKW "Crystal Structure Of Hiv Protease Model PrecursorDARUNAVIR COMPLEX" 100.00 103 100.00 100.00 1.13e-58 PDB 3TL9 "Crystal Structure Of Hiv Protease Model PrecursorSAQUINAVIR COMPLEX" 100.00 103 100.00 100.00 1.13e-58 PDB 3TOF "Hiv-1 Protease - Epoxydic Inhibitor Complex (Ph 6 - Orthorombic Crystal Form P212121)" 100.00 99 100.00 100.00 2.11e-58 PDB 3TOG "Hiv-1 Protease - Epoxydic Inhibitor Complex (ph 9 - Monoclinic Crystal Form P21)" 100.00 99 100.00 100.00 2.11e-58 PDB 3TOH "Hiv-1 Protease - Epoxydic Inhibitor Complex (ph 9 - Orthorombic Crystal Form P212121)" 100.00 99 100.00 100.00 2.11e-58 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 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 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 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 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 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 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 PDB 4FL8 "Hiv-1 Protease Complexed With Gem-Diol-Amine Tetrahedral Intermediate" 100.00 99 100.00 100.00 2.11e-58 PDB 4FLG "Hiv-1 Protease Mutant I47v Complexed With Reaction Intermediate" 100.00 99 98.95 100.00 2.68e-58 PDB 4FM6 "Hiv-1 Protease Mutant V32i Complexed With Reaction Intermediate" 100.00 99 98.95 100.00 3.97e-58 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 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 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 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 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 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 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 PDB 4MC1 "Hiv Protease In Complex With Sa526p" 100.00 99 97.89 97.89 1.75e-57 PDB 4MC2 "Hiv Protease In Complex With Sa525p" 100.00 99 97.89 97.89 1.75e-57 PDB 4MC6 "Hiv Protease In Complex With Sa499" 100.00 99 97.89 97.89 1.75e-57 PDB 4MC9 "Hiv Protease In Complex With Aa74" 100.00 99 97.89 97.89 1.75e-57 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 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HIV-1_protease HIV-1 11676 Viruses . Lentivirus HIV-1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $HIV-1_protease 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HIV-1_protease 0.5 mM '[U-13C; U-15N]' 'phosphate buffer' 20 mM . D2O 5 % . H2O 95 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 2.6 loop_ _Task collection stop_ _Details Bruker save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Task 'data analysis' stop_ _Details D.Garrett save_ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version 1.0.6 loop_ _Task 'structure solution' refinement stop_ _Details 'C.D.Schwieters, J.J.Kuszewski, N.Tjandra, and G.M.Clore.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label . save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.8 . na temperature 293 . K 'ionic strength' 20 . mM pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis . H 1 . ppm . . . . . . . N 15 . ppm . . . . . . . C 13 . ppm . . . . . . 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'HIV-1 protease' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 PRO CA C 62.22 . . 2 . 1 PRO CB C 32.47 . . 3 . 2 GLN H H 8.797 . . 4 . 2 GLN N N 120.03 . . 5 . 2 GLN CA C 55.95 . . 6 . 2 GLN CB C 29.46 . . 7 . 3 ILE H H 8.431 . . 8 . 3 ILE N N 123.17 . . 9 . 3 ILE CA C 61.03 . . 10 . 3 ILE CB C 38.76 . . 11 . 4 THR H H 8.268 . . 12 . 4 THR N N 119.28 . . 13 . 4 THR CA C 61.56 . . 14 . 4 THR CB C 69.66 . . 15 . 5 LEU H H 8.231 . . 16 . 5 LEU N N 124.86 . . 17 . 5 LEU CA C 55.24 . . 18 . 5 LEU CB C 42.16 . . 19 . 6 TRP H H 7.945 . . 20 . 6 TRP N N 120.75 . . 21 . 6 TRP CA C 56.89 . . 22 . 6 TRP CB C 29.55 . . 23 . 7 LYS H H 8.127 . . 24 . 7 LYS N N 121.72 . . 25 . 7 LYS CA C 56.15 . . 26 . 7 LYS CB C 32.63 . . 27 . 8 ARG H H 7.969 . . 28 . 8 ARG N N 121.94 . . 29 . 8 ARG CA C 56.21 . . 30 . 8 ARG CB C 31.74 . . 31 . 9 PRO CA C 62.78 . . 32 . 9 PRO CB C 32.33 . . 33 . 10 LEU H H 7.951 . . 34 . 10 LEU N N 121.95 . . 35 . 10 LEU CA C 54.00 . . 36 . 10 LEU CB C 43.63 . . 37 . 11 VAL H H 9.221 . . 38 . 11 VAL N N 119.37 . . 39 . 11 VAL CA C 59.40 . . 40 . 11 VAL CB C 35.42 . . 41 . 12 THR H H 8.384 . . 42 . 12 THR N N 117.55 . . 43 . 12 THR CA C 62.78 . . 44 . 12 THR CB C 69.47 . . 45 . 13 ILE H H 9.262 . . 46 . 13 ILE N N 120.70 . . 47 . 13 ILE CA C 58.25 . . 48 . 13 ILE CB C 41.21 . . 49 . 14 LYS H H 8.555 . . 50 . 14 LYS N N 120.28 . . 51 . 14 LYS CA C 54.80 . . 52 . 14 LYS CB C 35.30 . . 53 . 15 ILE H H 8.973 . . 54 . 15 ILE N N 124.52 . . 55 . 15 ILE CA C 59.18 . . 56 . 15 ILE CB C 40.52 . . 57 . 16 GLY H H 9.611 . . 58 . 16 GLY N N 117.64 . . 59 . 16 GLY CA C 47.11 . . 60 . 17 GLY H H 8.864 . . 61 . 17 GLY N N 105.15 . . 62 . 17 GLY CA C 45.01 . . 63 . 18 GLN H H 8.020 . . 64 . 18 GLN N N 119.54 . . 65 . 18 GLN CA C 54.31 . . 66 . 18 GLN CB C 31.28 . . 67 . 19 LEU H H 8.488 . . 68 . 19 LEU N N 122.98 . . 69 . 19 LEU CA C 54.21 . . 70 . 19 LEU CB C 42.56 . . 71 . 20 LYS H H 9.030 . . 72 . 20 LYS N N 123.06 . . 73 . 20 LYS CA C 53.84 . . 74 . 20 LYS CB C 37.59 . . 75 . 21 GLU H H 8.617 . . 76 . 21 GLU N N 119.02 . . 77 . 21 GLU CA C 54.89 . . 78 . 21 GLU CB C 31.78 . . 79 . 22 ALA H H 9.441 . . 80 . 22 ALA N N 124.86 . . 81 . 22 ALA CA C 50.89 . . 82 . 22 ALA CB C 24.61 . . 83 . 23 LEU H H 8.700 . . 84 . 23 LEU N N 119.81 . . 85 . 23 LEU CA C 53.25 . . 86 . 23 LEU CB C 44.27 . . 87 . 24 LEU H H 8.475 . . 88 . 24 LEU N N 121.40 . . 89 . 24 LEU CA C 54.06 . . 90 . 24 LEU CB C 40.39 . . 91 . 25 ASP H H 8.956 . . 92 . 25 ASP N N 124.35 . . 93 . 25 ASP CA C 52.49 . . 94 . 25 ASP CB C 42.96 . . 95 . 26 THR H H 8.204 . . 96 . 26 THR N N 113.65 . . 97 . 26 THR CA C 63.55 . . 98 . 26 THR CB C 68.63 . . 99 . 27 GLY H H 8.794 . . 100 . 27 GLY N N 108.50 . . 101 . 27 GLY CA C 45.00 . . 102 . 28 ALA H H 7.377 . . 103 . 28 ALA N N 124.37 . . 104 . 28 ALA CA C 50.68 . . 105 . 28 ALA CB C 20.19 . . 106 . 29 ASP H H 8.716 . . 107 . 29 ASP N N 121.24 . . 108 . 29 ASP CA C 57.07 . . 109 . 29 ASP CB C 41.66 . . 110 . 30 ASP H H 7.616 . . 111 . 30 ASP N N 115.24 . . 112 . 30 ASP CA C 53.23 . . 113 . 30 ASP CB C 43.86 . . 114 . 31 THR H H 8.727 . . 115 . 31 THR N N 119.24 . . 116 . 31 THR CA C 62.98 . . 117 . 31 THR CB C 70.67 . . 118 . 32 VAL H H 8.835 . . 119 . 32 VAL N N 127.45 . . 120 . 32 VAL CA C 59.80 . . 121 . 32 VAL CB C 34.26 . . 122 . 33 ILE H H 9.104 . . 123 . 33 ILE N N 125.39 . . 124 . 33 ILE CA C 56.93 . . 125 . 33 ILE CB C 40.44 . . 126 . 34 GLU H H 8.149 . . 127 . 34 GLU N N 120.20 . . 128 . 34 GLU CA C 55.22 . . 129 . 34 GLU CB C 30.30 . . 130 . 35 GLU H H 7.209 . . 131 . 35 GLU N N 115.24 . . 132 . 35 GLU CA C 58.15 . . 133 . 35 GLU CB C 30.13 . . 134 . 36 MET H H 7.037 . . 135 . 36 MET N N 120.08 . . 136 . 36 MET CA C 54.65 . . 137 . 36 MET CB C 34.02 . . 138 . 37 SER H H 8.563 . . 139 . 37 SER N N 115.37 . . 140 . 37 SER CA C 57.46 . . 141 . 37 SER CB C 62.73 . . 142 . 38 LEU H H 7.638 . . 143 . 38 LEU N N 126.36 . . 144 . 38 LEU CA C 51.75 . . 145 . 39 PRO CA C 62.64 . . 146 . 39 PRO CB C 32.29 . . 147 . 40 GLY H H 8.419 . . 148 . 40 GLY N N 105.84 . . 149 . 40 GLY CA C 44.34 . . 150 . 41 ARG H H 8.456 . . 151 . 41 ARG N N 118.72 . . 152 . 41 ARG CA C 56.06 . . 153 . 41 ARG CB C 31.13 . . 154 . 42 TRP H H 7.466 . . 155 . 42 TRP N N 117.81 . . 156 . 42 TRP CA C 53.98 . . 157 . 42 TRP CB C 31.10 . . 158 . 43 LYS H H 8.435 . . 159 . 43 LYS N N 117.90 . . 160 . 43 LYS CA C 53.76 . . 161 . 44 PRO CA C 62.98 . . 162 . 44 PRO CB C 32.40 . . 163 . 45 LYS H H 8.587 . . 164 . 45 LYS N N 121.73 . . 165 . 45 LYS CA C 55.49 . . 166 . 45 LYS CB C 36.69 . . 167 . 46 MET H H 8.409 . . 168 . 46 MET N N 121.99 . . 169 . 46 MET CA C 53.85 . . 170 . 46 MET CB C 33.91 . . 171 . 47 ILE H H 8.932 . . 172 . 47 ILE N N 118.37 . . 173 . 47 ILE CA C 59.39 . . 174 . 47 ILE CB C 41.96 . . 175 . 48 GLY H H 8.641 . . 176 . 48 GLY N N 109.65 . . 177 . 48 GLY CA C 45.34 . . 178 . 49 GLY H H 7.621 . . 179 . 49 GLY N N 110.24 . . 180 . 49 GLY CA C 44.51 . . 181 . 50 ILE H H 8.567 . . 182 . 50 ILE N N 121.86 . . 183 . 50 ILE CA C 62.94 . . 184 . 50 ILE CB C 37.36 . . 185 . 51 GLY H H 8.720 . . 186 . 51 GLY N N 112.54 . . 187 . 51 GLY CA C 45.01 . . 188 . 52 GLY H H 7.545 . . 189 . 52 GLY N N 108.06 . . 190 . 52 GLY CA C 44.50 . . 191 . 53 PHE H H 8.455 . . 192 . 53 PHE N N 119.57 . . 193 . 53 PHE CA C 57.90 . . 194 . 53 PHE CB C 40.84 . . 195 . 54 ILE H H 9.251 . . 196 . 54 ILE N N 119.27 . . 197 . 54 ILE CA C 59.83 . . 198 . 54 ILE CB C 41.64 . . 199 . 55 LYS H H 8.434 . . 200 . 55 LYS N N 124.67 . . 201 . 55 LYS CA C 56.35 . . 202 . 55 LYS CB C 32.83 . . 203 . 56 VAL H H 8.980 . . 204 . 56 VAL N N 116.65 . . 205 . 56 VAL CA C 58.27 . . 206 . 56 VAL CB C 35.44 . . 207 . 57 ARG H H 8.916 . . 208 . 57 ARG N N 118.76 . . 209 . 57 ARG CA C 55.46 . . 210 . 57 ARG CB C 32.27 . . 211 . 58 GLN H H 9.685 . . 212 . 58 GLN N N 123.49 . . 213 . 58 GLN CA C 55.64 . . 214 . 58 GLN CB C 29.89 . . 215 . 59 TYR H H 9.300 . . 216 . 59 TYR N N 129.02 . . 217 . 59 TYR CA C 57.49 . . 218 . 59 TYR CB C 40.99 . . 219 . 60 ASP H H 8.868 . . 220 . 60 ASP N N 120.29 . . 221 . 60 ASP CA C 53.78 . . 222 . 60 ASP CB C 43.25 . . 223 . 61 GLN H H 8.906 . . 224 . 61 GLN N N 114.31 . . 225 . 61 GLN CA C 56.46 . . 226 . 61 GLN CB C 26.88 . . 227 . 62 ILE H H 8.681 . . 228 . 62 ILE N N 121.01 . . 229 . 62 ILE CA C 57.57 . . 230 . 62 ILE CB C 37.01 . . 231 . 63 ILE H H 8.076 . . 232 . 63 ILE N N 124.32 . . 233 . 63 ILE CA C 60.90 . . 234 . 63 ILE CB C 38.64 . . 235 . 64 ILE H H 9.065 . . 236 . 64 ILE N N 127.33 . . 237 . 64 ILE CA C 59.39 . . 238 . 64 ILE CB C 41.34 . . 239 . 65 GLU H H 8.501 . . 240 . 65 GLU N N 123.83 . . 241 . 65 GLU CA C 54.52 . . 242 . 65 GLU CB C 31.92 . . 243 . 66 ILE H H 9.094 . . 244 . 66 ILE N N 125.50 . . 245 . 66 ILE CA C 60.89 . . 246 . 66 ILE CB C 40.05 . . 247 . 67 ALA H H 9.221 . . 248 . 67 ALA N N 131.63 . . 249 . 67 ALA CA C 53.13 . . 250 . 67 ALA CB C 17.15 . . 251 . 68 GLY H H 8.553 . . 252 . 68 GLY N N 102.32 . . 253 . 68 GLY CA C 45.27 . . 254 . 69 HIS H H 8.152 . . 255 . 69 HIS N N 118.75 . . 256 . 69 HIS CA C 54.14 . . 257 . 69 HIS CB C 30.05 . . 258 . 70 LYS H H 8.906 . . 259 . 70 LYS N N 124.41 . . 260 . 70 LYS CA C 57.14 . . 261 . 70 LYS CB C 33.68 . . 262 . 71 ALA H H 8.952 . . 263 . 71 ALA N N 127.33 . . 264 . 71 ALA CA C 50.65 . . 265 . 71 ALA CB C 23.21 . . 266 . 72 ILE H H 8.643 . . 267 . 72 ILE N N 118.00 . . 268 . 72 ILE CA C 58.75 . . 269 . 72 ILE CB C 41.28 . . 270 . 73 GLY H H 8.951 . . 271 . 73 GLY N N 113.76 . . 272 . 73 GLY CA C 46.14 . . 273 . 74 THR H H 8.602 . . 274 . 74 THR N N 118.19 . . 275 . 74 THR CA C 63.22 . . 276 . 74 THR CB C 70.20 . . 277 . 75 VAL H H 9.156 . . 278 . 75 VAL N N 124.73 . . 279 . 75 VAL CA C 60.70 . . 280 . 75 VAL CB C 35.94 . . 281 . 76 LEU H H 8.456 . . 282 . 76 LEU N N 124.59 . . 283 . 76 LEU CA C 52.74 . . 284 . 76 LEU CB C 41.48 . . 285 . 77 VAL H H 9.170 . . 286 . 77 VAL N N 122.19 . . 287 . 77 VAL CA C 60.13 . . 288 . 77 VAL CB C 34.74 . . 289 . 78 GLY H H 9.185 . . 290 . 78 GLY N N 115.02 . . 291 . 78 GLY CA C 45.74 . . 292 . 79 PRO CA C 63.25 . . 293 . 79 PRO CB C 29.09 . . 294 . 80 THR H H 8.278 . . 295 . 80 THR N N 119.30 . . 296 . 80 THR CA C 56.90 . . 297 . 80 THR CB C 70.34 . . 298 . 81 PRO CA C 63.91 . . 299 . 81 PRO CB C 32.09 . . 300 . 82 VAL H H 7.165 . . 301 . 82 VAL N N 113.70 . . 302 . 82 VAL CA C 59.54 . . 303 . 82 VAL CB C 35.34 . . 304 . 83 ASN H H 8.652 . . 305 . 83 ASN N N 124.90 . . 306 . 83 ASN CA C 53.44 . . 307 . 83 ASN CB C 38.34 . . 308 . 84 ILE H H 9.379 . . 309 . 84 ILE N N 124.52 . . 310 . 84 ILE CA C 59.97 . . 311 . 84 ILE CB C 42.11 . . 312 . 85 ILE H H 9.018 . . 313 . 85 ILE N N 125.35 . . 314 . 85 ILE CA C 58.26 . . 315 . 85 ILE CB C 35.30 . . 316 . 86 GLY H H 8.377 . . 317 . 86 GLY N N 113.98 . . 318 . 86 GLY CA C 43.25 . . 319 . 87 ARG H H 9.101 . . 320 . 87 ARG N N 116.39 . . 321 . 87 ARG CA C 59.69 . . 322 . 87 ARG CB C 31.16 . . 323 . 88 ASN H H 8.123 . . 324 . 88 ASN N N 115.23 . . 325 . 88 ASN CA C 56.61 . . 326 . 88 ASN CB C 36.45 . . 327 . 89 LEU H H 7.227 . . 328 . 89 LEU N N 117.30 . . 329 . 89 LEU CA C 55.84 . . 330 . 89 LEU CB C 42.08 . . 331 . 90 LEU H H 8.005 . . 332 . 90 LEU N N 117.93 . . 333 . 90 LEU CA C 57.78 . . 334 . 90 LEU CB C 41.41 . . 335 . 91 THR H H 8.096 . . 336 . 91 THR N N 110.18 . . 337 . 91 THR CA C 64.36 . . 338 . 91 THR CB C 68.99 . . 339 . 92 GLN H H 7.460 . . 340 . 92 GLN N N 117.87 . . 341 . 92 GLN CA C 56.99 . . 342 . 92 GLN CB C 29.81 . . 343 . 93 ILE H H 7.271 . . 344 . 93 ILE N N 113.40 . . 345 . 93 ILE CA C 61.00 . . 346 . 93 ILE CB C 38.20 . . 347 . 94 GLY H H 7.819 . . 348 . 94 GLY N N 110.43 . . 349 . 94 GLY CA C 45.49 . . 350 . 95 ALA H H 7.675 . . 351 . 95 ALA N N 128.52 . . 352 . 95 ALA CA C 53.32 . . 353 . 95 ALA CB C 20.35 . . stop_ save_