data_4093 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4093 _Entry.Title ; Secondary Structure of the Ribonuclease H Domain of the Human Immunodeficiency Virus Reverse Transcriptase in Solution Using Three-Dimensional Double and Triple Resonance Heteronuclear Magnetic Resonance Spectroscopy ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-01-08 _Entry.Accession_date 1998-01-08 _Entry.Last_release_date 1998-03-02 _Entry.Original_release_date 1998-03-02 _Entry.Origination BMRB _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Robert Powers . . . 4093 2 G. Clore . Marius. . 4093 3 Ad Bax . . . 4093 4 Daniel Garrett . S. . 4093 5 Stephen Stahl . J. . 4093 6 Paul Wingfield . T. . 4093 7 Angela Gronenborn . M. . 4093 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4093 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 239 4093 '15N chemical shifts' 117 4093 '1H chemical shifts' 243 4093 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 . . 1998-03-02 1998-01-06 original author . 4093 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4093 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 92046051 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Powers, R., Clore, M. G., Bax, A., Garrett, D. S., Stahl, S. J., Wingfield, P. T., and Gronenborn A. M., "Secondary Structure of the Ribonuclease H Domain of the Human Immunodeficiency Virus Reverse Transcriptase in Solution Using Three-Dimensional Double and Triple Resonance Heteronuclear Magnetic Resonance Spectroscopy," J. Biomol. NMR, 221, 1081-1090 (1991). ; _Citation.Title ; Secondary Structure of the Ribonuclease H Domain of the Human Immunodeficiency Virus Reverse Transcriptase in Solution Using Three-Dimensional Double and Triple Resonance Heteronuclear Magnetic Resonance Spectroscopy ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 221 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1081 _Citation.Page_last 1090 _Citation.Year 1991 _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 Robert Powers . . . 4093 1 2 G. Clore . Marius. . 4093 1 3 Ad Bax . . . 4093 1 4 Daniel Garrett . S. . 4093 1 5 Stephen Stahl . J. . 4093 1 6 Paul Wingfield . T. . 4093 1 7 Angela Gronenborn . M. . 4093 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '3D heteronuclear NMR' 4093 1 'Double and triple resonance NMR' 4093 1 HIV-1 4093 1 'Reverse Transcriptase' 4093 1 'RNase H domain (RNase H)' 4093 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_RNase_H-HIV-1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_RNase_H-HIV-1 _Assembly.Entry_ID 4093 _Assembly.ID 1 _Assembly.Name 'RNase H domain of human HIV-1 Reverse Transcriptase' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 . _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 4093 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 RNase_H-HIV-1 1 $RNase_H-HIV-1 . . . native . . . . . 4093 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'RNase H domain of human HIV-1 Reverse Transcriptase' system 4093 1 RNase_H-HIV-1 abbreviation 4093 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID ; Rnase H domain of HIV-1 reverse transcriptase plays an important role in viral replication ; 4093 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNase_H-HIV-1 _Entity.Sf_category entity _Entity.Sf_framecode RNase_H-HIV-1 _Entity.Entry_ID 4093 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Reverse Transcriptase of HIV-1' _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 ; MNELYQLEKEPIVGAETFYV DGAANRETKLGKAGYVTNRG RQKVVTLTDTTNQKTELQAI YLALQDSGLEVNIVTDSQYA LGIIQAQPDQSESELVNQII EQLIKKEKVYLAAVPAHKGI GGNEQVDKLVSAGIRKVL ; _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 138 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1C0T . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Bm+21.1326" . . . . . 97.83 560 98.52 98.52 1.48e-83 . . . . 4093 1 2 no PDB 1C0U . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Bm+50.0934" . . . . . 97.83 560 98.52 98.52 1.48e-83 . . . . 4093 1 3 no PDB 1C1B . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Gca- 186" . . . . . 97.83 560 98.52 98.52 1.48e-83 . . . . 4093 1 4 no PDB 1C1C . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Tnk- 6123" . . . . . 97.83 560 98.52 98.52 1.48e-83 . . . . 4093 1 5 no PDB 1DTQ . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Pett- 1 (pett131a94)" . . . . . 97.83 560 98.52 98.52 1.48e-83 . . . . 4093 1 6 no PDB 1DTT . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Pett- 2 (pett130a94)" . . . . . 97.83 560 98.52 98.52 1.48e-83 . . . . 4093 1 7 no PDB 1EP4 . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With S- 1153" . . . . . 97.83 560 98.52 98.52 1.48e-83 . . . . 4093 1 8 no PDB 1FK9 . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Dmp- 266(Efavirenz)" . . . . . 85.51 543 98.31 98.31 3.43e-71 . . . . 4093 1 9 no PDB 1FKO . "Crystal Structure Of Nnrti Resistant K103n Mutant Hiv-1 Reverse Transcriptase In Complex With Dmp-266(Efavirenz)" . . . . . 85.51 543 98.31 98.31 3.61e-71 . . . . 4093 1 10 no PDB 1FKP . "Crystal Structure Of Nnrti Resistant K103n Mutant Hiv-1 Reverse Transcriptase In Complex With Nevirapine" . . . . . 85.51 543 98.31 98.31 3.61e-71 . . . . 4093 1 11 no PDB 1JKH . "Crystal Structure Of Y181c Mutant Hiv-1 Reverse Transcriptase In Complex With Dmp-266(Efavirenz)" . . . . . 97.83 560 98.52 98.52 1.50e-83 . . . . 4093 1 12 no PDB 1JLA . "Crystal Structure Of Y181c Mutant Hiv-1 Reverse Transcriptase In Complex With Tnk-651" . . . . . 97.83 560 98.52 98.52 1.50e-83 . . . . 4093 1 13 no PDB 1JLB . "Crystal Structure Of Y181c Mutant Hiv-1 Reverse Transcriptase In Complex With Nevirapine" . . . . . 97.83 560 98.52 98.52 1.50e-83 . . . . 4093 1 14 no PDB 1JLC . "Crystal Structure Of Y181c Mutant Hiv-1 Reverse Transcriptase In Complex With Pett-2" . . . . . 97.83 560 98.52 98.52 1.50e-83 . . . . 4093 1 15 no PDB 1JLE . "Crystal Structure Of Y188c Mutant Hiv-1 Reverse Transcriptase" . . . . . 97.83 560 98.52 98.52 1.68e-83 . . . . 4093 1 16 no PDB 1JLF . "Crystal Structure Of Y188c Mutant Hiv-1 Reverse Transcriptase In Complex With Nevirapine" . . . . . 97.83 560 98.52 98.52 1.50e-83 . . . . 4093 1 17 no PDB 1JLG . "Crystal Structure Of Y188c Mutant Hiv-1 Reverse Transcriptase In Complex With Uc-781" . . . . . 97.83 560 98.52 98.52 1.68e-83 . . . . 4093 1 18 no PDB 1JLQ . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With 739w94" . . . . . 97.83 560 98.52 98.52 1.48e-83 . . . . 4093 1 19 no PDB 1KLM . "Hiv-1 Reverse Transcriptase Complexed With Bhap U-90152" . . . . . 97.83 560 98.52 98.52 1.48e-83 . . . . 4093 1 20 no PDB 1LW0 . "Crystal Structure Of T215y Mutant Hiv-1 Reverse Transcriptase In Complex With Nevirapine" . . . . . 97.83 560 98.52 98.52 2.08e-83 . . . . 4093 1 21 no PDB 1LW2 . "Crystal Structure Of T215y Mutant Hiv-1 Reverse Transcriptase In Complex With 1051u91" . . . . . 97.83 560 98.52 98.52 2.08e-83 . . . . 4093 1 22 no PDB 1LWC . "Crystal Structure Of M184v Mutant Hiv-1 Reverse Transcriptase In Complex With Nevirapine" . . . . . 97.83 560 98.52 98.52 1.58e-83 . . . . 4093 1 23 no PDB 1LWE . "Crystal Structure Of M41lT215Y MUTANT HIV-1 Reverse Transcriptase (Rtmn) In Complex With Nevirapine" . . . . . 97.83 560 98.52 98.52 2.42e-83 . . . . 4093 1 24 no PDB 1LWF . "Crystal Structure Of A Mutant Hiv-1 Reverse Transcriptase (rtmq+m184v: M41l/d67n/k70r/m184v/t215y) In Complex With Nevirapine" . . . . . 97.83 560 98.52 98.52 2.45e-83 . . . . 4093 1 25 no PDB 1O1W . "Solution Structure Of The Rnase H Domain Of The Hiv-1 Reverse Transcriptase In The Presence Of Magnesium" . . . . . 100.00 138 99.28 99.28 4.23e-91 . . . . 4093 1 26 no PDB 1REV . "Hiv-1 Reverse Transcriptase" . . . . . 97.83 560 98.52 98.52 1.48e-83 . . . . 4093 1 27 no PDB 1RT1 . "Crystal Structure Of Hiv-1 Reverse Transcriptase Complexed With Mkc-442" . . . . . 97.83 560 98.52 98.52 1.48e-83 . . . . 4093 1 28 no PDB 1RT2 . "Crystal Structure Of Hiv-1 Reverse Transcriptase Complexed With Tnk-651" . . . . . 97.83 560 98.52 98.52 1.48e-83 . . . . 4093 1 29 no PDB 1RT3 . "Azt Drug Resistant Hiv-1 Reverse Transcriptase Complexed With 1051u91" . . . . . 97.83 560 98.52 98.52 1.89e-83 . . . . 4093 1 30 no PDB 1RT4 . "Hiv-1 Reverse Transcriptase Complexed With Uc781" . . . . . 97.83 560 98.52 98.52 1.48e-83 . . . . 4093 1 31 no PDB 1RT5 . "Hiv-1 Reverse Transcriptase Complexed With Uc10" . . . . . 97.83 560 98.52 98.52 1.48e-83 . . . . 4093 1 32 no PDB 1RT6 . "Hiv-1 Reverse Transcriptase Complexed With Uc38" . . . . . 97.83 560 98.52 98.52 1.48e-83 . . . . 4093 1 33 no PDB 1RT7 . "Hiv-1 Reverse Transcriptase Complexed With Uc84" . . . . . 97.83 560 98.52 98.52 1.48e-83 . . . . 4093 1 34 no PDB 1RTH . "High Resolution Structures Of Hiv-1 Rt From Four Rt- Inhibitor Complexes" . . . . . 97.83 560 98.52 98.52 1.48e-83 . . . . 4093 1 35 no PDB 1RTI . "High Resolution Structures Of Hiv-1 Rt From Four Rt- Inhibitor Complexes" . . . . . 97.83 560 98.52 98.52 1.48e-83 . . . . 4093 1 36 no PDB 1RTJ . "Mechanism Of Inhibition Of Hiv-1 Reverse Transcriptase By Non-Nucleoside Inhibitors" . . . . . 97.83 560 98.52 98.52 1.48e-83 . . . . 4093 1 37 no PDB 1S1T . "Crystal Structure Of L100i Mutant Hiv-1 Reverse Transcriptase In Complex With Uc-781" . . . . . 97.83 560 98.52 98.52 1.65e-83 . . . . 4093 1 38 no PDB 1S1U . "Crystal Structure Of L100i Mutant Hiv-1 Reverse Transcriptase In Complex With Nevirapine" . . . . . 97.83 560 98.52 98.52 1.65e-83 . . . . 4093 1 39 no PDB 1S1V . "Crystal Structure Of L100i Mutant Hiv-1 Reverse Transcriptase In Complex With Tnk-651" . . . . . 97.83 560 98.52 98.52 1.65e-83 . . . . 4093 1 40 no PDB 1S1W . "Crystal Structure Of V106a Mutant Hiv-1 Reverse Transcriptase In Complex With Uc-781" . . . . . 97.83 560 98.52 98.52 1.45e-83 . . . . 4093 1 41 no PDB 1S1X . "Crystal Structure Of V108i Mutant Hiv-1 Reverse Transcriptase In Complex With Nevirapine" . . . . . 97.83 560 98.52 98.52 1.76e-83 . . . . 4093 1 42 no PDB 1TKT . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Gw426318" . . . . . 97.83 560 98.52 98.52 1.48e-83 . . . . 4093 1 43 no PDB 1TKX . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Gw490745" . . . . . 97.83 560 98.52 98.52 1.48e-83 . . . . 4093 1 44 no PDB 1TKZ . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Gw429576" . . . . . 97.83 560 98.52 98.52 1.48e-83 . . . . 4093 1 45 no PDB 1TL1 . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Gw451211" . . . . . 97.83 560 98.52 98.52 1.48e-83 . . . . 4093 1 46 no PDB 1TL3 . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Gw450557" . . . . . 97.83 560 98.52 98.52 1.48e-83 . . . . 4093 1 47 no PDB 1VRT . "High Resolution Structures Of Hiv-1 Rt From Four Rt- Inhibitor Complexes" . . . . . 97.83 560 98.52 98.52 1.48e-83 . . . . 4093 1 48 no PDB 1VRU . "High Resolution Structures Of Hiv-1 Rt From Four Rt- Inhibitor Complexes" . . . . . 97.83 560 98.52 98.52 1.48e-83 . . . . 4093 1 49 no PDB 2HND . "Crystal Structure Of K101e Mutant Hiv-1 Reverse Transcriptase In Complex With Nevirapine" . . . . . 81.16 534 98.21 98.21 5.22e-66 . . . . 4093 1 50 no PDB 2HNY . "Crystal Structure Of E138k Mutant Hiv-1 Reverse Transcriptase In Complex With Nevirapine" . . . . . 81.16 534 98.21 98.21 5.00e-66 . . . . 4093 1 51 no PDB 2HNZ . "Crystal Structure Of E138k Mutant Hiv-1 Reverse Transcriptase In Complex With Pett-2" . . . . . 81.16 534 98.21 98.21 5.00e-66 . . . . 4093 1 52 no PDB 2JLE . "Novel Indazole Nnrtis Created Using Molecular Template Hybridization Based On Crystallographic Overlays" . . . . . 97.83 566 98.52 98.52 2.45e-83 . . . . 4093 1 53 no PDB 2OPP . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Gw420867x" . . . . . 86.96 542 98.33 98.33 6.12e-73 . . . . 4093 1 54 no PDB 2OPQ . "Crystal Structure Of L100i Mutant Hiv-1 Reverse Transcriptase In Complex With Gw420867x" . . . . . 81.16 534 98.21 98.21 5.11e-66 . . . . 4093 1 55 no PDB 2OPR . "Crystal Structure Of K101e Mutant Hiv-1 Reverse Transcriptase In Complex With Gw420867x" . . . . . 89.13 547 98.37 98.37 6.08e-75 . . . . 4093 1 56 no PDB 2OPS . "Crystal Structure Of Y188c Mutant Hiv-1 Reverse Transcriptase In Complex With Gw420867x" . . . . . 85.51 542 98.31 98.31 2.95e-71 . . . . 4093 1 57 no PDB 2RF2 . "Hiv Reverse Transcriptase In Complex With Inhibitor 7e (Nnrti)" . . . . . 97.83 563 98.52 98.52 1.59e-83 . . . . 4093 1 58 no PDB 2RKI . "Crystal Structure Of Hiv-1 Reverse Transcriptase (Rt) In Complex With A Triazole Derived Nnrti" . . . . . 97.83 560 98.52 98.52 1.32e-83 . . . . 4093 1 59 no PDB 2WOM . "Crystal Structure Of Uk-453061 Bound To Hiv-1 Reverse Transcriptase (k103n)" . . . . . 97.83 560 98.52 98.52 1.70e-83 . . . . 4093 1 60 no PDB 2WON . "Crystal Structure Of Uk-453061 Bound To Hiv-1 Reverse Transcriptase (Wild-Type)." . . . . . 97.83 560 98.52 98.52 1.32e-83 . . . . 4093 1 61 no PDB 2YNF . "Hiv-1 Reverse Transcriptase Y188l Mutant In Complex With Inhibitor Gsk560" . . . . . 97.83 563 98.52 98.52 1.73e-83 . . . . 4093 1 62 no PDB 2YNG . "Hiv-1 Reverse Transcriptase In Complex With Inhibitor Gsk560" . . . . . 97.83 563 98.52 98.52 1.59e-83 . . . . 4093 1 63 no PDB 2YNH . "Hiv-1 Reverse Transcriptase In Complex With Inhibitor Gsk500" . . . . . 97.83 563 98.52 98.52 1.59e-83 . . . . 4093 1 64 no PDB 2YNI . "Hiv-1 Reverse Transcriptase In Complex With Inhibitor Gsk952" . . . . . 97.83 563 98.52 98.52 1.59e-83 . . . . 4093 1 65 no PDB 3C6T . "Crystal Structure Of Hiv Reverse Transcriptase In Complex With Inhibitor 14" . . . . . 97.83 563 98.52 98.52 1.59e-83 . . . . 4093 1 66 no PDB 3C6U . "Crystal Structure Of Hiv Reverse Transcriptase In Complex With Inhibitor 22" . . . . . 97.83 563 98.52 98.52 1.59e-83 . . . . 4093 1 67 no PDB 3DI6 . "Hiv-1 Rt With Pyridazinone Non-Nucleoside Inhibitor" . . . . . 97.83 561 98.52 98.52 1.67e-83 . . . . 4093 1 68 no PDB 3DLE . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Gf128590." . . . . . 97.83 560 98.52 98.52 1.48e-83 . . . . 4093 1 69 no PDB 3DLG . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Gw564511." . . . . . 97.83 560 98.52 98.52 1.48e-83 . . . . 4093 1 70 no PDB 3DM2 . "Crystal Structure Of Hiv-1 K103n Mutant Reverse Transcriptase In Complex With Gw564511." . . . . . 97.83 560 98.52 98.52 1.51e-83 . . . . 4093 1 71 no PDB 3DMJ . "Crystal Structure Of Hiv-1 V106a And Y181c Mutant Reverse Transcriptase In Complex With Gw564511" . . . . . 97.83 560 98.52 98.52 1.46e-83 . . . . 4093 1 72 no PDB 3DOK . "Crystal Structure Of K103n Mutant Hiv-1 Reverse Transcriptase In Complex With Gw678248" . . . . . 97.83 560 98.52 98.52 1.51e-83 . . . . 4093 1 73 no PDB 3DOL . "Crystal Structure Of L100i Mutant Hiv-1 Reverse Transcriptase In Complex With Gw695634" . . . . . 97.83 560 98.52 98.52 1.65e-83 . . . . 4093 1 74 no PDB 3DRP . "Hiv Reverse Transcriptase In Complex With Inhibitor R8e" . . . . . 97.83 563 98.52 98.52 1.59e-83 . . . . 4093 1 75 no PDB 3DRR . "Hiv Reverse Transcriptase Y181c Mutant In Complex With Inhibitor R8e" . . . . . 97.83 563 98.52 98.52 1.69e-83 . . . . 4093 1 76 no PDB 3DRS . "Hiv Reverse Transcriptase K103n Mutant In Complex With Inhibitor R8d" . . . . . 97.83 563 98.52 98.52 1.69e-83 . . . . 4093 1 77 no PDB 3DYA . "Hiv-1 Rt With Non-Nucleoside Inhibitor Annulated Pyrazole 1" . . . . . 97.83 561 98.52 98.52 1.67e-83 . . . . 4093 1 78 no PDB 3E01 . "Hiv-Rt With Non-Nucleoside Inhibitor Annulated Pyrazole 2" . . . . . 97.83 561 98.52 98.52 1.67e-83 . . . . 4093 1 79 no PDB 3FFI . "Hiv-1 Rt With Pyridone Non-Nucleoside Inhibitor" . . . . . 97.83 561 98.52 98.52 1.56e-83 . . . . 4093 1 80 no PDB 3I0R . "Crystal Structure Of Hiv Reverse Transcriptase In Complex With Inhibitor 3" . . . . . 97.83 563 98.52 98.52 1.59e-83 . . . . 4093 1 81 no PDB 3I0S . "Crystal Structure Of Hiv Reverse Transcriptase In Complex With Inhibitor 7" . . . . . 97.83 563 98.52 98.52 1.59e-83 . . . . 4093 1 82 no PDB 3KJV . "Hiv-1 Reverse Transcriptase In Complex With Dna" . . . . . 97.83 560 98.52 98.52 1.56e-83 . . . . 4093 1 83 no PDB 3KK1 . "Hiv-1 Reverse Transcriptase-Dna Complex With Nuceotide Inhibitor Gs- 9148-Diphosphate Bound In Nucleotide Site" . . . . . 97.83 560 98.52 98.52 1.56e-83 . . . . 4093 1 84 no PDB 3KK2 . "Hiv-1 Reverse Transcriptase-Dna Complex With Datp Bound In The Nucleotide Binding Site" . . . . . 97.83 560 98.52 98.52 1.56e-83 . . . . 4093 1 85 no PDB 3KK3 . "Hiv-1 Reverse Transcriptase-Dna Complex With Gs-9148 Terminated Primer" . . . . . 97.83 560 98.52 98.52 1.56e-83 . . . . 4093 1 86 no PDB 3LAK . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With N1-Heterocycle Pyrimidinedione Non-Nucleoside Inhibitor" . . . . . 97.83 560 98.52 98.52 1.32e-83 . . . . 4093 1 87 no PDB 3LAL . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With N1-Ethyl Pyrimidinedione Non-Nucleoside Inhibitor" . . . . . 97.83 560 98.52 98.52 1.32e-83 . . . . 4093 1 88 no PDB 3LAM . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With N1-Propyl Pyrimidinedione Non-Nucleoside Inhibitor" . . . . . 97.83 560 98.52 98.52 1.32e-83 . . . . 4093 1 89 no PDB 3LAN . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With N1-Butyl Pyrimidinedione Non-Nucleoside Inhibitor" . . . . . 97.83 560 98.52 98.52 1.32e-83 . . . . 4093 1 90 no PDB 3LP0 . "Hiv-1 Reverse Transcriptase With Inhibitor" . . . . . 97.83 563 98.52 98.52 1.69e-83 . . . . 4093 1 91 no PDB 3LP1 . "Hiv-1 Reverse Transcriptase With Inhibitor" . . . . . 97.83 563 98.52 98.52 1.69e-83 . . . . 4093 1 92 no PDB 3LP2 . "Hiv-1 Reverse Transcriptase With Inhibitor" . . . . . 97.83 563 98.52 98.52 1.69e-83 . . . . 4093 1 93 no PDB 3M8P . "Hiv-1 Rt With Nnrti Tmc-125" . . . . . 97.83 561 98.52 98.52 1.67e-83 . . . . 4093 1 94 no PDB 3M8Q . "Hiv-1 Rt With Aminopyrimidine Nnrti" . . . . . 97.83 561 98.52 98.52 1.67e-83 . . . . 4093 1 95 no PDB 3MEC . "Hiv-1 Reverse Transcriptase In Complex With Tmc125" . . . . . 97.83 560 98.52 98.52 1.32e-83 . . . . 4093 1 96 no PDB 3MED . "Hiv-1 K103n Reverse Transcriptase In Complex With Tmc125" . . . . . 97.83 560 98.52 98.52 1.70e-83 . . . . 4093 1 97 no PDB 3MEE . "Hiv-1 Reverse Transcriptase In Complex With Tmc278" . . . . . 97.83 560 98.52 98.52 1.32e-83 . . . . 4093 1 98 no PDB 3MEG . "Hiv-1 K103n Reverse Transcriptase In Complex With Tmc278" . . . . . 97.83 560 98.52 98.52 1.70e-83 . . . . 4093 1 99 no PDB 3NBP . "Hiv-1 Reverse Transcriptase With Aminopyrimidine Inhibitor 2" . . . . . 97.83 561 98.52 98.52 1.67e-83 . . . . 4093 1 100 no PDB 3QIP . "Structure Of Hiv-1 Reverse Transcriptase In Complex With An Rnase H Inhibitor And Nevirapine" . . . . . 97.83 560 98.52 98.52 1.32e-83 . . . . 4093 1 101 no PDB 3T19 . "Crystal Structure Of Hiv-1 Reverse Transcriptase (Wild Type) In Complex With Inhibitor M05" . . . . . 97.83 563 98.52 98.52 1.59e-83 . . . . 4093 1 102 no PDB 3T1A . "Crystal Structure Of Hiv-1 Reverse Transcriptase (K103n Mutant) In Complex With Inhibitor M05" . . . . . 97.83 563 98.52 98.52 1.69e-83 . . . . 4093 1 103 no PDB 3TAM . "Crystal Structure Of Hiv-1 Reverse Transcriptase (K103n Mutant) In Complex With Inhibitor M06" . . . . . 97.83 563 98.52 98.52 1.69e-83 . . . . 4093 1 104 no PDB 4I7F . "Hiv-1 Reverse Transcriptase In Complex With A Phosphonate Analog Of Nevirapine" . . . . . 97.83 560 98.52 98.52 1.32e-83 . . . . 4093 1 105 no PDB 4KV8 . "Crystal Structure Of Hiv Rt In Complex With Bilr0355bs" . . . . . 97.83 564 98.52 98.52 1.57e-83 . . . . 4093 1 106 no PDB 4NCG . "Discovery Of Doravirine, An Orally Bioavailable Non-nucleoside Reverse Transcriptase Inhibitor Potent Against A Wide Range Of R" . . . . . 97.83 563 98.52 98.52 1.59e-83 . . . . 4093 1 107 no GB AAA93161 . "reverse transcriptase/RNaseH, partial [Human immunodeficiency virus 1]" . . . . . 97.83 566 98.52 98.52 2.40e-83 . . . . 4093 1 108 no GB AAB50259 . "pol polyprotein (NH2-terminus uncertain) [Human immunodeficiency virus 1]" . . . . . 97.83 912 98.52 98.52 2.46e-80 . . . . 4093 1 109 no GB AAC55949 . "reverse transcriptase, partial [Human immunodeficiency virus 1]" . . . . . 97.83 670 97.78 97.78 1.34e-81 . . . . 4093 1 110 no GB AAC55950 . "reverse transcriptase, partial [Human immunodeficiency virus 1]" . . . . . 97.83 560 97.78 97.78 1.42e-82 . . . . 4093 1 111 no GB AAC82598 . "Pol [Human immunodeficiency virus 1]" . . . . . 97.83 1003 98.52 98.52 4.31e-80 . . . . 4093 1 112 no REF NP_057849 . "Gag-Pol [Human immunodeficiency virus 1]" . . . . . 97.83 1435 98.52 98.52 2.03e-79 . . . . 4093 1 113 no REF NP_705927 . "reverse transcriptase [Human immunodeficiency virus 1]" . . . . . 97.83 560 98.52 98.52 1.32e-83 . . . . 4093 1 114 no REF NP_789740 . "Pol [Human immunodeficiency virus 1]" . . . . . 97.83 995 98.52 98.52 4.00e-80 . . . . 4093 1 115 no REF YP_001856242 . "reverse transcriptase [Human immunodeficiency virus 1]" . . . . . 97.83 560 98.52 98.52 1.32e-83 . . . . 4093 1 116 no SP P04585 . "RecName: Full=Gag-Pol polyprotein; AltName: Full=Pr160Gag-Pol; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: " . . . . . 97.83 1435 98.52 98.52 2.03e-79 . . . . 4093 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Reverse Transcriptase of HIV-1' common 4093 1 'RNase H domain of HIV-1 Reverse Transcriptase' variant 4093 1 RNase_H-HIV-1 abbreviation 4093 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 . MET . 4093 1 2 . ASN . 4093 1 3 . GLU . 4093 1 4 . LEU . 4093 1 5 . TYR . 4093 1 6 . GLN . 4093 1 7 . LEU . 4093 1 8 . GLU . 4093 1 9 . LYS . 4093 1 10 . GLU . 4093 1 11 . PRO . 4093 1 12 . ILE . 4093 1 13 . VAL . 4093 1 14 . GLY . 4093 1 15 . ALA . 4093 1 16 . GLU . 4093 1 17 . THR . 4093 1 18 . PHE . 4093 1 19 . TYR . 4093 1 20 . VAL . 4093 1 21 . ASP . 4093 1 22 . GLY . 4093 1 23 . ALA . 4093 1 24 . ALA . 4093 1 25 . ASN . 4093 1 26 . ARG . 4093 1 27 . GLU . 4093 1 28 . THR . 4093 1 29 . LYS . 4093 1 30 . LEU . 4093 1 31 . GLY . 4093 1 32 . LYS . 4093 1 33 . ALA . 4093 1 34 . GLY . 4093 1 35 . TYR . 4093 1 36 . VAL . 4093 1 37 . THR . 4093 1 38 . ASN . 4093 1 39 . ARG . 4093 1 40 . GLY . 4093 1 41 . ARG . 4093 1 42 . GLN . 4093 1 43 . LYS . 4093 1 44 . VAL . 4093 1 45 . VAL . 4093 1 46 . THR . 4093 1 47 . LEU . 4093 1 48 . THR . 4093 1 49 . ASP . 4093 1 50 . THR . 4093 1 51 . THR . 4093 1 52 . ASN . 4093 1 53 . GLN . 4093 1 54 . LYS . 4093 1 55 . THR . 4093 1 56 . GLU . 4093 1 57 . LEU . 4093 1 58 . GLN . 4093 1 59 . ALA . 4093 1 60 . ILE . 4093 1 61 . TYR . 4093 1 62 . LEU . 4093 1 63 . ALA . 4093 1 64 . LEU . 4093 1 65 . GLN . 4093 1 66 . ASP . 4093 1 67 . SER . 4093 1 68 . GLY . 4093 1 69 . LEU . 4093 1 70 . GLU . 4093 1 71 . VAL . 4093 1 72 . ASN . 4093 1 73 . ILE . 4093 1 74 . VAL . 4093 1 75 . THR . 4093 1 76 . ASP . 4093 1 77 . SER . 4093 1 78 . GLN . 4093 1 79 . TYR . 4093 1 80 . ALA . 4093 1 81 . LEU . 4093 1 82 . GLY . 4093 1 83 . ILE . 4093 1 84 . ILE . 4093 1 85 . GLN . 4093 1 86 . ALA . 4093 1 87 . GLN . 4093 1 88 . PRO . 4093 1 89 . ASP . 4093 1 90 . GLN . 4093 1 91 . SER . 4093 1 92 . GLU . 4093 1 93 . SER . 4093 1 94 . GLU . 4093 1 95 . LEU . 4093 1 96 . VAL . 4093 1 97 . ASN . 4093 1 98 . GLN . 4093 1 99 . ILE . 4093 1 100 . ILE . 4093 1 101 . GLU . 4093 1 102 . GLN . 4093 1 103 . LEU . 4093 1 104 . ILE . 4093 1 105 . LYS . 4093 1 106 . LYS . 4093 1 107 . GLU . 4093 1 108 . LYS . 4093 1 109 . VAL . 4093 1 110 . TYR . 4093 1 111 . LEU . 4093 1 112 . ALA . 4093 1 113 . ALA . 4093 1 114 . VAL . 4093 1 115 . PRO . 4093 1 116 . ALA . 4093 1 117 . HIS . 4093 1 118 . LYS . 4093 1 119 . GLY . 4093 1 120 . ILE . 4093 1 121 . GLY . 4093 1 122 . GLY . 4093 1 123 . ASN . 4093 1 124 . GLU . 4093 1 125 . GLN . 4093 1 126 . VAL . 4093 1 127 . ASP . 4093 1 128 . LYS . 4093 1 129 . LEU . 4093 1 130 . VAL . 4093 1 131 . SER . 4093 1 132 . ALA . 4093 1 133 . GLY . 4093 1 134 . ILE . 4093 1 135 . ARG . 4093 1 136 . LYS . 4093 1 137 . VAL . 4093 1 138 . LEU . 4093 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 . MET 1 1 4093 1 . ASN 2 2 4093 1 . GLU 3 3 4093 1 . LEU 4 4 4093 1 . TYR 5 5 4093 1 . GLN 6 6 4093 1 . LEU 7 7 4093 1 . GLU 8 8 4093 1 . LYS 9 9 4093 1 . GLU 10 10 4093 1 . PRO 11 11 4093 1 . ILE 12 12 4093 1 . VAL 13 13 4093 1 . GLY 14 14 4093 1 . ALA 15 15 4093 1 . GLU 16 16 4093 1 . THR 17 17 4093 1 . PHE 18 18 4093 1 . TYR 19 19 4093 1 . VAL 20 20 4093 1 . ASP 21 21 4093 1 . GLY 22 22 4093 1 . ALA 23 23 4093 1 . ALA 24 24 4093 1 . ASN 25 25 4093 1 . ARG 26 26 4093 1 . GLU 27 27 4093 1 . THR 28 28 4093 1 . LYS 29 29 4093 1 . LEU 30 30 4093 1 . GLY 31 31 4093 1 . LYS 32 32 4093 1 . ALA 33 33 4093 1 . GLY 34 34 4093 1 . TYR 35 35 4093 1 . VAL 36 36 4093 1 . THR 37 37 4093 1 . ASN 38 38 4093 1 . ARG 39 39 4093 1 . GLY 40 40 4093 1 . ARG 41 41 4093 1 . GLN 42 42 4093 1 . LYS 43 43 4093 1 . VAL 44 44 4093 1 . VAL 45 45 4093 1 . THR 46 46 4093 1 . LEU 47 47 4093 1 . THR 48 48 4093 1 . ASP 49 49 4093 1 . THR 50 50 4093 1 . THR 51 51 4093 1 . ASN 52 52 4093 1 . GLN 53 53 4093 1 . LYS 54 54 4093 1 . THR 55 55 4093 1 . GLU 56 56 4093 1 . LEU 57 57 4093 1 . GLN 58 58 4093 1 . ALA 59 59 4093 1 . ILE 60 60 4093 1 . TYR 61 61 4093 1 . LEU 62 62 4093 1 . ALA 63 63 4093 1 . LEU 64 64 4093 1 . GLN 65 65 4093 1 . ASP 66 66 4093 1 . SER 67 67 4093 1 . GLY 68 68 4093 1 . LEU 69 69 4093 1 . GLU 70 70 4093 1 . VAL 71 71 4093 1 . ASN 72 72 4093 1 . ILE 73 73 4093 1 . VAL 74 74 4093 1 . THR 75 75 4093 1 . ASP 76 76 4093 1 . SER 77 77 4093 1 . GLN 78 78 4093 1 . TYR 79 79 4093 1 . ALA 80 80 4093 1 . LEU 81 81 4093 1 . GLY 82 82 4093 1 . ILE 83 83 4093 1 . ILE 84 84 4093 1 . GLN 85 85 4093 1 . ALA 86 86 4093 1 . GLN 87 87 4093 1 . PRO 88 88 4093 1 . ASP 89 89 4093 1 . GLN 90 90 4093 1 . SER 91 91 4093 1 . GLU 92 92 4093 1 . SER 93 93 4093 1 . GLU 94 94 4093 1 . LEU 95 95 4093 1 . VAL 96 96 4093 1 . ASN 97 97 4093 1 . GLN 98 98 4093 1 . ILE 99 99 4093 1 . ILE 100 100 4093 1 . GLU 101 101 4093 1 . GLN 102 102 4093 1 . LEU 103 103 4093 1 . ILE 104 104 4093 1 . LYS 105 105 4093 1 . LYS 106 106 4093 1 . GLU 107 107 4093 1 . LYS 108 108 4093 1 . VAL 109 109 4093 1 . TYR 110 110 4093 1 . LEU 111 111 4093 1 . ALA 112 112 4093 1 . ALA 113 113 4093 1 . VAL 114 114 4093 1 . PRO 115 115 4093 1 . ALA 116 116 4093 1 . HIS 117 117 4093 1 . LYS 118 118 4093 1 . GLY 119 119 4093 1 . ILE 120 120 4093 1 . GLY 121 121 4093 1 . GLY 122 122 4093 1 . ASN 123 123 4093 1 . GLU 124 124 4093 1 . GLN 125 125 4093 1 . VAL 126 126 4093 1 . ASP 127 127 4093 1 . LYS 128 128 4093 1 . LEU 129 129 4093 1 . VAL 130 130 4093 1 . SER 131 131 4093 1 . ALA 132 132 4093 1 . GLY 133 133 4093 1 . ILE 134 134 4093 1 . ARG 135 135 4093 1 . LYS 136 136 4093 1 . VAL 137 137 4093 1 . LEU 138 138 4093 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 4093 _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 $RNase_H-HIV-1 . 11706 . . 'Lentivirus HIV-1' HIV-1 HIV-1 61.0.6.5.001-05 . . Lentivirus HIV-1 . . . . . . . . . . . . . . . . . . ; Family: Retroviridae, Genus: lentivirus, Type of species: HIV-1, Reference Strain: (HXB2) ; . . 4093 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 4093 _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 $RNase_H-HIV-1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . 'Chemical construct of RNAse H domain from strain HXB2 of HIV-1' . . 4093 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4093 _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 'Reverse Transcriptase of HIV-1' '[U-95% 13C; U-95% 15N]' . . 1 $RNase_H-HIV-1 . . 1.1 . . mM . . . . 4093 1 2 H2O . . . . . . . 90 . . % . . . . 4093 1 3 D2O . . . . . . . 10 . . % . . . . 4093 1 4 'Sodium phosphate buffer' . . . . . . . 100 . . mM . . . . 4093 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 4093 _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 5.4 . pH 4093 1 temperature 299 . K 4093 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4093 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AM600 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4093 _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_one Bruker AM600 . 600 . . . 4093 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 4093 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_one _Chem_shift_reference.Entry_ID 4093 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP . . . . . ppm 0.00 . . . . . . . . . . . . 4093 1 H 1 TSP . . . . . ppm 0.00 . . . . . . . . . . . . 4093 1 N 15 'liquid NH3' . . . . . ppm 0.00 . . . . . . . . . . . . 4093 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_one _Assigned_chem_shift_list.Entry_ID 4093 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4093 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ASN C C 13 176.5 . . 1 . . . . . . . . 4093 1 2 . 1 1 2 2 ASN CA C 13 53.6 . . 1 . . . . . . . . 4093 1 3 . 1 1 2 2 ASN HA H 1 5.14 . . 1 . . . . . . . . 4093 1 4 . 1 1 3 3 GLU N N 15 114.8 . . 1 . . . . . . . . 4093 1 5 . 1 1 3 3 GLU H H 1 8.42 . . 1 . . . . . . . . 4093 1 6 . 1 1 3 3 GLU C C 13 176.5 . . 1 . . . . . . . . 4093 1 7 . 1 1 3 3 GLU CA C 13 56.8 . . 1 . . . . . . . . 4093 1 8 . 1 1 3 3 GLU HA H 1 4.22 . . 1 . . . . . . . . 4093 1 9 . 1 1 4 4 LEU N N 15 121.5 . . 1 . . . . . . . . 4093 1 10 . 1 1 4 4 LEU H H 1 8.49 . . 1 . . . . . . . . 4093 1 11 . 1 1 4 4 LEU C C 13 176.1 . . 1 . . . . . . . . 4093 1 12 . 1 1 4 4 LEU CA C 13 55.8 . . 1 . . . . . . . . 4093 1 13 . 1 1 4 4 LEU HA H 1 4.28 . . 1 . . . . . . . . 4093 1 14 . 1 1 5 5 TYR N N 15 113.9 . . 1 . . . . . . . . 4093 1 15 . 1 1 5 5 TYR H H 1 7.18 . . 1 . . . . . . . . 4093 1 16 . 1 1 5 5 TYR C C 13 173.1 . . 1 . . . . . . . . 4093 1 17 . 1 1 5 5 TYR CA C 13 55.7 . . 1 . . . . . . . . 4093 1 18 . 1 1 5 5 TYR HA H 1 4.71 . . 1 . . . . . . . . 4093 1 19 . 1 1 6 6 GLN N N 15 119.3 . . 1 . . . . . . . . 4093 1 20 . 1 1 6 6 GLN H H 1 8.58 . . 1 . . . . . . . . 4093 1 21 . 1 1 6 6 GLN C C 13 174.7 . . 1 . . . . . . . . 4093 1 22 . 1 1 6 6 GLN CA C 13 54.5 . . 1 . . . . . . . . 4093 1 23 . 1 1 6 6 GLN HA H 1 4.55 . . 1 . . . . . . . . 4093 1 24 . 1 1 7 7 LEU N N 15 123.9 . . 1 . . . . . . . . 4093 1 25 . 1 1 7 7 LEU H H 1 8.55 . . 1 . . . . . . . . 4093 1 26 . 1 1 7 7 LEU C C 13 178.00 . . 1 . . . . . . . . 4093 1 27 . 1 1 7 7 LEU CA C 13 53.9 . . 1 . . . . . . . . 4093 1 28 . 1 1 7 7 LEU HA H 1 4.93 . . 1 . . . . . . . . 4093 1 29 . 1 1 8 8 GLU N N 15 121.5 . . 1 . . . . . . . . 4093 1 30 . 1 1 8 8 GLU H H 1 9.06 . . 1 . . . . . . . . 4093 1 31 . 1 1 8 8 GLU C C 13 176.9 . . 1 . . . . . . . . 4093 1 32 . 1 1 8 8 GLU CA C 13 55.7 . . 1 . . . . . . . . 4093 1 33 . 1 1 8 8 GLU HA H 1 4.29 . . 1 . . . . . . . . 4093 1 34 . 1 1 9 9 LYS N N 15 119.4 . . 1 . . . . . . . . 4093 1 35 . 1 1 9 9 LYS H H 1 8.84 . . 1 . . . . . . . . 4093 1 36 . 1 1 9 9 LYS C C 13 176.00 . . 1 . . . . . . . . 4093 1 37 . 1 1 9 9 LYS CA C 13 57.3 . . 1 . . . . . . . . 4093 1 38 . 1 1 9 9 LYS HA H 1 4.44 . . 1 . . . . . . . . 4093 1 39 . 1 1 10 10 GLU N N 15 116.8 . . 1 . . . . . . . . 4093 1 40 . 1 1 10 10 GLU H H 1 7.55 . . 1 . . . . . . . . 4093 1 41 . 1 1 10 10 GLU C C 13 171.8 . . 1 . . . . . . . . 4093 1 42 . 1 1 10 10 GLU CA C 13 53.00 . . 1 . . . . . . . . 4093 1 43 . 1 1 10 10 GLU HA H 1 4.59 . . 1 . . . . . . . . 4093 1 44 . 1 1 11 11 PRO C C 13 175.7 . . 1 . . . . . . . . 4093 1 45 . 1 1 11 11 PRO CA C 13 62.4 . . 1 . . . . . . . . 4093 1 46 . 1 1 12 12 ILE N N 15 125.00 . . 1 . . . . . . . . 4093 1 47 . 1 1 12 12 ILE H H 1 9.43 . . 1 . . . . . . . . 4093 1 48 . 1 1 12 12 ILE C C 13 178.3 . . 1 . . . . . . . . 4093 1 49 . 1 1 12 12 ILE CA C 13 61.2 . . 1 . . . . . . . . 4093 1 50 . 1 1 12 12 ILE HA H 1 3.88 . . 1 . . . . . . . . 4093 1 51 . 1 1 13 13 VAL N N 15 132.3 . . 1 . . . . . . . . 4093 1 52 . 1 1 13 13 VAL H H 1 8.69 . . 1 . . . . . . . . 4093 1 53 . 1 1 13 13 VAL C C 13 177.4 . . 1 . . . . . . . . 4093 1 54 . 1 1 13 13 VAL CA C 13 65.1 . . 1 . . . . . . . . 4093 1 55 . 1 1 13 13 VAL HA H 1 3.65 . . 1 . . . . . . . . 4093 1 56 . 1 1 14 14 GLY N N 15 114.4 . . 1 . . . . . . . . 4093 1 57 . 1 1 14 14 GLY H H 1 8.79 . . 1 . . . . . . . . 4093 1 58 . 1 1 14 14 GLY C C 13 173.4 . . 1 . . . . . . . . 4093 1 59 . 1 1 14 14 GLY CA C 13 45.1 . . 1 . . . . . . . . 4093 1 60 . 1 1 15 15 ALA N N 15 121.6 . . 1 . . . . . . . . 4093 1 61 . 1 1 15 15 ALA H H 1 6.96 . . 1 . . . . . . . . 4093 1 62 . 1 1 15 15 ALA C C 13 176.5 . . 1 . . . . . . . . 4093 1 63 . 1 1 15 15 ALA CA C 13 50.6 . . 1 . . . . . . . . 4093 1 64 . 1 1 15 15 ALA HA H 1 4.57 . . 1 . . . . . . . . 4093 1 65 . 1 1 16 16 GLU N N 15 125.7 . . 1 . . . . . . . . 4093 1 66 . 1 1 16 16 GLU H H 1 8.97 . . 1 . . . . . . . . 4093 1 67 . 1 1 16 16 GLU C C 13 174.7 . . 1 . . . . . . . . 4093 1 68 . 1 1 16 16 GLU CA C 13 57.6 . . 1 . . . . . . . . 4093 1 69 . 1 1 16 16 GLU HA H 1 4.56 . . 1 . . . . . . . . 4093 1 70 . 1 1 17 17 THR N N 15 121.7 . . 1 . . . . . . . . 4093 1 71 . 1 1 17 17 THR H H 1 8.56 . . 1 . . . . . . . . 4093 1 72 . 1 1 17 17 THR C C 13 172.6 . . 1 . . . . . . . . 4093 1 73 . 1 1 17 17 THR CA C 13 61.4 . . 1 . . . . . . . . 4093 1 74 . 1 1 17 17 THR HA H 1 5.33 . . 1 . . . . . . . . 4093 1 75 . 1 1 18 18 PHE N N 15 127.4 . . 1 . . . . . . . . 4093 1 76 . 1 1 18 18 PHE H H 1 9.41 . . 1 . . . . . . . . 4093 1 77 . 1 1 18 18 PHE CA C 13 55.6 . . 1 . . . . . . . . 4093 1 78 . 1 1 18 18 PHE HA H 1 4.34 . . 1 . . . . . . . . 4093 1 79 . 1 1 19 19 TYR N N 15 124.7 . . 1 . . . . . . . . 4093 1 80 . 1 1 19 19 TYR H H 1 9.19 . . 1 . . . . . . . . 4093 1 81 . 1 1 19 19 TYR C C 13 176.00 . . 1 . . . . . . . . 4093 1 82 . 1 1 19 19 TYR CA C 13 57.1 . . 1 . . . . . . . . 4093 1 83 . 1 1 19 19 TYR HA H 1 5.18 . . 1 . . . . . . . . 4093 1 84 . 1 1 20 20 VAL N N 15 116.00 . . 1 . . . . . . . . 4093 1 85 . 1 1 20 20 VAL H H 1 8.4 . . 1 . . . . . . . . 4093 1 86 . 1 1 20 20 VAL C C 13 175.00 . . 1 . . . . . . . . 4093 1 87 . 1 1 20 20 VAL CA C 13 59.1 . . 1 . . . . . . . . 4093 1 88 . 1 1 20 20 VAL HA H 1 5.6 . . 1 . . . . . . . . 4093 1 89 . 1 1 21 21 ASP N N 15 119.00 . . 1 . . . . . . . . 4093 1 90 . 1 1 21 21 ASP H H 1 8.55 . . 1 . . . . . . . . 4093 1 91 . 1 1 21 21 ASP C C 13 172.6 . . 1 . . . . . . . . 4093 1 92 . 1 1 21 21 ASP CA C 13 53.2 . . 1 . . . . . . . . 4093 1 93 . 1 1 21 21 ASP HA H 1 5.05 . . 1 . . . . . . . . 4093 1 94 . 1 1 22 22 GLY N N 15 108.6 . . 1 . . . . . . . . 4093 1 95 . 1 1 22 22 GLY H H 1 8.28 . . 1 . . . . . . . . 4093 1 96 . 1 1 22 22 GLY CA C 13 45.3 . . 1 . . . . . . . . 4093 1 97 . 1 1 22 22 GLY HA2 H 1 4.94 . . 2 . . . . . . . . 4093 1 98 . 1 1 22 22 GLY HA3 H 1 3.5 . . 2 . . . . . . . . 4093 1 99 . 1 1 23 23 ALA N N 15 122.9 . . 1 . . . . . . . . 4093 1 100 . 1 1 23 23 ALA H H 1 8.52 . . 1 . . . . . . . . 4093 1 101 . 1 1 23 23 ALA C C 13 175.1 . . 1 . . . . . . . . 4093 1 102 . 1 1 23 23 ALA CA C 13 52.2 . . 1 . . . . . . . . 4093 1 103 . 1 1 23 23 ALA HA H 1 4.64 . . 1 . . . . . . . . 4093 1 104 . 1 1 24 24 ALA N N 15 120.5 . . 1 . . . . . . . . 4093 1 105 . 1 1 24 24 ALA H H 1 8.52 . . 1 . . . . . . . . 4093 1 106 . 1 1 24 24 ALA C C 13 175.2 . . 1 . . . . . . . . 4093 1 107 . 1 1 24 24 ALA CA C 13 50.4 . . 1 . . . . . . . . 4093 1 108 . 1 1 24 24 ALA HA H 1 5.09 . . 1 . . . . . . . . 4093 1 109 . 1 1 25 25 ASN N N 15 120.7 . . 1 . . . . . . . . 4093 1 110 . 1 1 25 25 ASN C C 13 176.6 . . 1 . . . . . . . . 4093 1 111 . 1 1 25 25 ASN CA C 13 52.5 . . 1 . . . . . . . . 4093 1 112 . 1 1 25 25 ASN HA H 1 4.83 . . 1 . . . . . . . . 4093 1 113 . 1 1 26 26 ARG N N 15 127.6 . . 1 . . . . . . . . 4093 1 114 . 1 1 26 26 ARG H H 1 9.1 . . 1 . . . . . . . . 4093 1 115 . 1 1 26 26 ARG C C 13 176.5 . . 1 . . . . . . . . 4093 1 116 . 1 1 26 26 ARG CA C 13 58.8 . . 1 . . . . . . . . 4093 1 117 . 1 1 26 26 ARG HA H 1 4.15 . . 1 . . . . . . . . 4093 1 118 . 1 1 27 27 GLU N N 15 117.4 . . 1 . . . . . . . . 4093 1 119 . 1 1 27 27 GLU H H 1 8.41 . . 1 . . . . . . . . 4093 1 120 . 1 1 27 27 GLU C C 13 178.3 . . 1 . . . . . . . . 4093 1 121 . 1 1 27 27 GLU CA C 13 58.6 . . 1 . . . . . . . . 4093 1 122 . 1 1 27 27 GLU HA H 1 4.34 . . 1 . . . . . . . . 4093 1 123 . 1 1 28 28 THR N N 15 107.6 . . 1 . . . . . . . . 4093 1 124 . 1 1 28 28 THR H H 1 8.06 . . 1 . . . . . . . . 4093 1 125 . 1 1 28 28 THR C C 13 176.00 . . 1 . . . . . . . . 4093 1 126 . 1 1 28 28 THR CA C 13 61.8 . . 1 . . . . . . . . 4093 1 127 . 1 1 28 28 THR HA H 1 4.29 . . 1 . . . . . . . . 4093 1 128 . 1 1 29 29 LYS N N 15 115.4 . . 1 . . . . . . . . 4093 1 129 . 1 1 29 29 LYS H H 1 8.08 . . 1 . . . . . . . . 4093 1 130 . 1 1 29 29 LYS C C 13 173.4 . . 1 . . . . . . . . 4093 1 131 . 1 1 29 29 LYS CA C 13 58.00 . . 1 . . . . . . . . 4093 1 132 . 1 1 29 29 LYS HA H 1 3.89 . . 1 . . . . . . . . 4093 1 133 . 1 1 30 30 LEU N N 15 118.3 . . 1 . . . . . . . . 4093 1 134 . 1 1 30 30 LEU H H 1 7.45 . . 1 . . . . . . . . 4093 1 135 . 1 1 30 30 LEU C C 13 177.1 . . 1 . . . . . . . . 4093 1 136 . 1 1 30 30 LEU CA C 13 54.2 . . 1 . . . . . . . . 4093 1 137 . 1 1 30 30 LEU HA H 1 4.86 . . 1 . . . . . . . . 4093 1 138 . 1 1 31 31 GLY N N 15 111.9 . . 1 . . . . . . . . 4093 1 139 . 1 1 31 31 GLY H H 1 8.02 . . 1 . . . . . . . . 4093 1 140 . 1 1 31 31 GLY CA C 13 44.8 . . 1 . . . . . . . . 4093 1 141 . 1 1 31 31 GLY HA2 H 1 5.03 . . 2 . . . . . . . . 4093 1 142 . 1 1 31 31 GLY HA3 H 1 3.61 . . 2 . . . . . . . . 4093 1 143 . 1 1 32 32 LYS C C 13 174.00 . . 1 . . . . . . . . 4093 1 144 . 1 1 32 32 LYS CA C 13 55.00 . . 1 . . . . . . . . 4093 1 145 . 1 1 32 32 LYS HA H 1 5.46 . . 1 . . . . . . . . 4093 1 146 . 1 1 33 33 ALA N N 15 121.6 . . 1 . . . . . . . . 4093 1 147 . 1 1 33 33 ALA H H 1 8.49 . . 1 . . . . . . . . 4093 1 148 . 1 1 33 33 ALA C C 13 175.5 . . 1 . . . . . . . . 4093 1 149 . 1 1 33 33 ALA CA C 13 50.00 . . 1 . . . . . . . . 4093 1 150 . 1 1 33 33 ALA HA H 1 5.27 . . 1 . . . . . . . . 4093 1 151 . 1 1 34 34 GLY N N 15 106.00 . . 1 . . . . . . . . 4093 1 152 . 1 1 34 34 GLY H H 1 8.7 . . 1 . . . . . . . . 4093 1 153 . 1 1 34 34 GLY C C 13 182.4 . . 1 . . . . . . . . 4093 1 154 . 1 1 34 34 GLY CA C 13 46.7 . . 1 . . . . . . . . 4093 1 155 . 1 1 34 34 GLY HA2 H 1 4.4 . . 2 . . . . . . . . 4093 1 156 . 1 1 34 34 GLY HA3 H 1 4.32 . . 2 . . . . . . . . 4093 1 157 . 1 1 35 35 TYR N N 15 110.9 . . 1 . . . . . . . . 4093 1 158 . 1 1 35 35 TYR H H 1 8.48 . . 1 . . . . . . . . 4093 1 159 . 1 1 35 35 TYR C C 13 174.2 . . 1 . . . . . . . . 4093 1 160 . 1 1 35 35 TYR CA C 13 55.2 . . 1 . . . . . . . . 4093 1 161 . 1 1 35 35 TYR HA H 1 6.04 . . 1 . . . . . . . . 4093 1 162 . 1 1 36 36 VAL N N 15 115.2 . . 1 . . . . . . . . 4093 1 163 . 1 1 36 36 VAL H H 1 8.69 . . 1 . . . . . . . . 4093 1 164 . 1 1 36 36 VAL C C 13 175.5 . . 1 . . . . . . . . 4093 1 165 . 1 1 36 36 VAL CA C 13 60.9 . . 1 . . . . . . . . 4093 1 166 . 1 1 36 36 VAL HA H 1 5.24 . . 1 . . . . . . . . 4093 1 167 . 1 1 37 37 THR N N 15 114.5 . . 1 . . . . . . . . 4093 1 168 . 1 1 37 37 THR H H 1 8.94 . . 1 . . . . . . . . 4093 1 169 . 1 1 37 37 THR C C 13 176.6 . . 1 . . . . . . . . 4093 1 170 . 1 1 37 37 THR CA C 13 57.5 . . 1 . . . . . . . . 4093 1 171 . 1 1 37 37 THR HA H 1 6.28 . . 1 . . . . . . . . 4093 1 172 . 1 1 38 38 ASN N N 15 119.00 . . 1 . . . . . . . . 4093 1 173 . 1 1 38 38 ASN H H 1 9.05 . . 1 . . . . . . . . 4093 1 174 . 1 1 38 38 ASN C C 13 175.4 . . 1 . . . . . . . . 4093 1 175 . 1 1 38 38 ASN CA C 13 54.2 . . 1 . . . . . . . . 4093 1 176 . 1 1 38 38 ASN HA H 1 4.62 . . 1 . . . . . . . . 4093 1 177 . 1 1 39 39 ARG N N 15 118.00 . . 1 . . . . . . . . 4093 1 178 . 1 1 39 39 ARG H H 1 8.12 . . 1 . . . . . . . . 4093 1 179 . 1 1 39 39 ARG C C 13 176.2 . . 1 . . . . . . . . 4093 1 180 . 1 1 39 39 ARG CA C 13 55.2 . . 1 . . . . . . . . 4093 1 181 . 1 1 39 39 ARG HA H 1 4.68 . . 1 . . . . . . . . 4093 1 182 . 1 1 40 40 GLY N N 15 107.4 . . 1 . . . . . . . . 4093 1 183 . 1 1 40 40 GLY H H 1 7.87 . . 1 . . . . . . . . 4093 1 184 . 1 1 40 40 GLY C C 13 174.3 . . 1 . . . . . . . . 4093 1 185 . 1 1 40 40 GLY CA C 13 45.6 . . 1 . . . . . . . . 4093 1 186 . 1 1 40 40 GLY HA2 H 1 4.21 . . 2 . . . . . . . . 4093 1 187 . 1 1 40 40 GLY HA3 H 1 3.82 . . 2 . . . . . . . . 4093 1 188 . 1 1 41 41 ARG N N 15 117.7 . . 1 . . . . . . . . 4093 1 189 . 1 1 41 41 ARG H H 1 7.2 . . 1 . . . . . . . . 4093 1 190 . 1 1 41 41 ARG C C 13 175.1 . . 1 . . . . . . . . 4093 1 191 . 1 1 41 41 ARG CA C 13 56.3 . . 1 . . . . . . . . 4093 1 192 . 1 1 41 41 ARG HA H 1 4.71 . . 1 . . . . . . . . 4093 1 193 . 1 1 42 42 GLN N N 15 117.7 . . 1 . . . . . . . . 4093 1 194 . 1 1 42 42 GLN H H 1 8.5 . . 1 . . . . . . . . 4093 1 195 . 1 1 42 42 GLN C C 13 173.8 . . 1 . . . . . . . . 4093 1 196 . 1 1 42 42 GLN CA C 13 54.9 . . 1 . . . . . . . . 4093 1 197 . 1 1 42 42 GLN HA H 1 5.22 . . 1 . . . . . . . . 4093 1 198 . 1 1 43 43 LYS N N 15 123.2 . . 1 . . . . . . . . 4093 1 199 . 1 1 43 43 LYS H H 1 7.77 . . 1 . . . . . . . . 4093 1 200 . 1 1 43 43 LYS C C 13 172.7 . . 1 . . . . . . . . 4093 1 201 . 1 1 43 43 LYS CA C 13 56.5 . . 1 . . . . . . . . 4093 1 202 . 1 1 43 43 LYS HA H 1 4.23 . . 1 . . . . . . . . 4093 1 203 . 1 1 44 44 VAL N N 15 123.1 . . 1 . . . . . . . . 4093 1 204 . 1 1 44 44 VAL H H 1 8.15 . . 1 . . . . . . . . 4093 1 205 . 1 1 44 44 VAL C C 13 174.5 . . 1 . . . . . . . . 4093 1 206 . 1 1 44 44 VAL CA C 13 60.8 . . 1 . . . . . . . . 4093 1 207 . 1 1 44 44 VAL HA H 1 4.9 . . 1 . . . . . . . . 4093 1 208 . 1 1 45 45 VAL N N 15 123.6 . . 1 . . . . . . . . 4093 1 209 . 1 1 45 45 VAL H H 1 9.26 . . 1 . . . . . . . . 4093 1 210 . 1 1 45 45 VAL C C 13 174.4 . . 1 . . . . . . . . 4093 1 211 . 1 1 45 45 VAL CA C 13 59.7 . . 1 . . . . . . . . 4093 1 212 . 1 1 45 45 VAL HA H 1 4.69 . . 1 . . . . . . . . 4093 1 213 . 1 1 46 46 THR N N 15 117.9 . . 1 . . . . . . . . 4093 1 214 . 1 1 46 46 THR H H 1 8.41 . . 1 . . . . . . . . 4093 1 215 . 1 1 46 46 THR C C 13 173.8 . . 1 . . . . . . . . 4093 1 216 . 1 1 46 46 THR CA C 13 62.00 . . 1 . . . . . . . . 4093 1 217 . 1 1 46 46 THR HA H 1 4.96 . . 1 . . . . . . . . 4093 1 218 . 1 1 47 47 LEU N N 15 127.7 . . 1 . . . . . . . . 4093 1 219 . 1 1 47 47 LEU H H 1 8.92 . . 1 . . . . . . . . 4093 1 220 . 1 1 47 47 LEU C C 13 174.9 . . 1 . . . . . . . . 4093 1 221 . 1 1 47 47 LEU CA C 13 53.8 . . 1 . . . . . . . . 4093 1 222 . 1 1 47 47 LEU HA H 1 4.78 . . 1 . . . . . . . . 4093 1 223 . 1 1 48 48 THR N N 15 111.3 . . 1 . . . . . . . . 4093 1 224 . 1 1 48 48 THR H H 1 8.13 . . 1 . . . . . . . . 4093 1 225 . 1 1 48 48 THR C C 13 173.5 . . 1 . . . . . . . . 4093 1 226 . 1 1 48 48 THR CA C 13 60.2 . . 1 . . . . . . . . 4093 1 227 . 1 1 48 48 THR HA H 1 4.67 . . 1 . . . . . . . . 4093 1 228 . 1 1 49 49 ASP N N 15 121.9 . . 1 . . . . . . . . 4093 1 229 . 1 1 49 49 ASP H H 1 8.57 . . 1 . . . . . . . . 4093 1 230 . 1 1 49 49 ASP C C 13 174.9 . . 1 . . . . . . . . 4093 1 231 . 1 1 49 49 ASP CA C 13 55.00 . . 1 . . . . . . . . 4093 1 232 . 1 1 49 49 ASP HA H 1 4.32 . . 1 . . . . . . . . 4093 1 233 . 1 1 50 50 THR N N 15 114.4 . . 1 . . . . . . . . 4093 1 234 . 1 1 50 50 THR H H 1 8.91 . . 1 . . . . . . . . 4093 1 235 . 1 1 50 50 THR C C 13 173.6 . . 1 . . . . . . . . 4093 1 236 . 1 1 50 50 THR CA C 13 59.8 . . 1 . . . . . . . . 4093 1 237 . 1 1 50 50 THR HA H 1 4.88 . . 1 . . . . . . . . 4093 1 238 . 1 1 51 51 THR N N 15 108.9 . . 1 . . . . . . . . 4093 1 239 . 1 1 51 51 THR H H 1 8.18 . . 1 . . . . . . . . 4093 1 240 . 1 1 51 51 THR C C 13 174.9 . . 1 . . . . . . . . 4093 1 241 . 1 1 51 51 THR CA C 13 58.6 . . 1 . . . . . . . . 4093 1 242 . 1 1 51 51 THR HA H 1 4.63 . . 1 . . . . . . . . 4093 1 243 . 1 1 52 52 ASN N N 15 118.5 . . 1 . . . . . . . . 4093 1 244 . 1 1 52 52 ASN H H 1 8.14 . . 1 . . . . . . . . 4093 1 245 . 1 1 52 52 ASN C C 13 177.00 . . 1 . . . . . . . . 4093 1 246 . 1 1 52 52 ASN CA C 13 57.8 . . 1 . . . . . . . . 4093 1 247 . 1 1 52 52 ASN HA H 1 4.15 . . 1 . . . . . . . . 4093 1 248 . 1 1 53 53 GLN N N 15 118.1 . . 1 . . . . . . . . 4093 1 249 . 1 1 53 53 GLN H H 1 8.59 . . 1 . . . . . . . . 4093 1 250 . 1 1 53 53 GLN C C 13 177.7 . . 1 . . . . . . . . 4093 1 251 . 1 1 53 53 GLN CA C 13 59.9 . . 1 . . . . . . . . 4093 1 252 . 1 1 53 53 GLN HA H 1 3.74 . . 1 . . . . . . . . 4093 1 253 . 1 1 54 54 LYS N N 15 116.7 . . 1 . . . . . . . . 4093 1 254 . 1 1 54 54 LYS H H 1 7.44 . . 1 . . . . . . . . 4093 1 255 . 1 1 54 54 LYS C C 13 179.4 . . 1 . . . . . . . . 4093 1 256 . 1 1 54 54 LYS CA C 13 60.6 . . 1 . . . . . . . . 4093 1 257 . 1 1 54 54 LYS HA H 1 3.88 . . 1 . . . . . . . . 4093 1 258 . 1 1 55 55 THR N N 15 111.5 . . 1 . . . . . . . . 4093 1 259 . 1 1 55 55 THR H H 1 8.21 . . 1 . . . . . . . . 4093 1 260 . 1 1 55 55 THR C C 13 176.6 . . 1 . . . . . . . . 4093 1 261 . 1 1 55 55 THR CA C 13 66.7 . . 1 . . . . . . . . 4093 1 262 . 1 1 55 55 THR HA H 1 3.79 . . 1 . . . . . . . . 4093 1 263 . 1 1 56 56 GLU N N 15 121.3 . . 1 . . . . . . . . 4093 1 264 . 1 1 56 56 GLU H H 1 7.79 . . 1 . . . . . . . . 4093 1 265 . 1 1 56 56 GLU C C 13 179.8 . . 1 . . . . . . . . 4093 1 266 . 1 1 56 56 GLU CA C 13 59.6 . . 1 . . . . . . . . 4093 1 267 . 1 1 56 56 GLU HA H 1 3.94 . . 1 . . . . . . . . 4093 1 268 . 1 1 57 57 LEU N N 15 117.6 . . 1 . . . . . . . . 4093 1 269 . 1 1 57 57 LEU H H 1 7.53 . . 1 . . . . . . . . 4093 1 270 . 1 1 57 57 LEU C C 13 178.6 . . 1 . . . . . . . . 4093 1 271 . 1 1 57 57 LEU CA C 13 57.5 . . 1 . . . . . . . . 4093 1 272 . 1 1 57 57 LEU HA H 1 4.06 . . 1 . . . . . . . . 4093 1 273 . 1 1 58 58 GLN N N 15 120.4 . . 1 . . . . . . . . 4093 1 274 . 1 1 58 58 GLN H H 1 8.9 . . 1 . . . . . . . . 4093 1 275 . 1 1 58 58 GLN C C 13 177.7 . . 1 . . . . . . . . 4093 1 276 . 1 1 58 58 GLN CA C 13 58.6 . . 1 . . . . . . . . 4093 1 277 . 1 1 58 58 GLN HA H 1 4.02 . . 1 . . . . . . . . 4093 1 278 . 1 1 59 59 ALA N N 15 120.6 . . 1 . . . . . . . . 4093 1 279 . 1 1 59 59 ALA H H 1 7.93 . . 1 . . . . . . . . 4093 1 280 . 1 1 59 59 ALA C C 13 178.4 . . 1 . . . . . . . . 4093 1 281 . 1 1 59 59 ALA CA C 13 55.8 . . 1 . . . . . . . . 4093 1 282 . 1 1 59 59 ALA HA H 1 3.99 . . 1 . . . . . . . . 4093 1 283 . 1 1 60 60 ILE N N 15 115.2 . . 1 . . . . . . . . 4093 1 284 . 1 1 60 60 ILE H H 1 6.91 . . 1 . . . . . . . . 4093 1 285 . 1 1 60 60 ILE C C 13 176.9 . . 1 . . . . . . . . 4093 1 286 . 1 1 60 60 ILE CA C 13 65.5 . . 1 . . . . . . . . 4093 1 287 . 1 1 60 60 ILE HA H 1 3.49 . . 1 . . . . . . . . 4093 1 288 . 1 1 61 61 TYR N N 15 119.4 . . 1 . . . . . . . . 4093 1 289 . 1 1 61 61 TYR H H 1 8.17 . . 1 . . . . . . . . 4093 1 290 . 1 1 61 61 TYR C C 13 176.8 . . 1 . . . . . . . . 4093 1 291 . 1 1 61 61 TYR CA C 13 61.2 . . 1 . . . . . . . . 4093 1 292 . 1 1 61 61 TYR HA H 1 4.03 . . 1 . . . . . . . . 4093 1 293 . 1 1 62 62 LEU N N 15 118.5 . . 1 . . . . . . . . 4093 1 294 . 1 1 62 62 LEU H H 1 8.51 . . 1 . . . . . . . . 4093 1 295 . 1 1 62 62 LEU C C 13 177.9 . . 1 . . . . . . . . 4093 1 296 . 1 1 62 62 LEU CA C 13 57.7 . . 1 . . . . . . . . 4093 1 297 . 1 1 62 62 LEU HA H 1 3.84 . . 1 . . . . . . . . 4093 1 298 . 1 1 63 63 ALA N N 15 117.6 . . 1 . . . . . . . . 4093 1 299 . 1 1 63 63 ALA H H 1 7.24 . . 1 . . . . . . . . 4093 1 300 . 1 1 63 63 ALA C C 13 179.3 . . 1 . . . . . . . . 4093 1 301 . 1 1 63 63 ALA CA C 13 53.8 . . 1 . . . . . . . . 4093 1 302 . 1 1 63 63 ALA HA H 1 3.27 . . 1 . . . . . . . . 4093 1 303 . 1 1 64 64 LEU N N 15 116.8 . . 1 . . . . . . . . 4093 1 304 . 1 1 64 64 LEU H H 1 7.72 . . 1 . . . . . . . . 4093 1 305 . 1 1 64 64 LEU C C 13 177.6 . . 1 . . . . . . . . 4093 1 306 . 1 1 64 64 LEU CA C 13 57.6 . . 1 . . . . . . . . 4093 1 307 . 1 1 64 64 LEU HA H 1 3.37 . . 1 . . . . . . . . 4093 1 308 . 1 1 65 65 GLN N N 15 117.5 . . 1 . . . . . . . . 4093 1 309 . 1 1 65 65 GLN H H 1 8.21 . . 1 . . . . . . . . 4093 1 310 . 1 1 65 65 GLN C C 13 178.3 . . 1 . . . . . . . . 4093 1 311 . 1 1 65 65 GLN CA C 13 59.00 . . 1 . . . . . . . . 4093 1 312 . 1 1 65 65 GLN HA H 1 3.69 . . 1 . . . . . . . . 4093 1 313 . 1 1 66 66 ASP N N 15 115.4 . . 1 . . . . . . . . 4093 1 314 . 1 1 66 66 ASP H H 1 7.45 . . 1 . . . . . . . . 4093 1 315 . 1 1 66 66 ASP C C 13 175.1 . . 1 . . . . . . . . 4093 1 316 . 1 1 66 66 ASP CA C 13 54.5 . . 1 . . . . . . . . 4093 1 317 . 1 1 66 66 ASP HA H 1 4.74 . . 1 . . . . . . . . 4093 1 318 . 1 1 67 67 SER N N 15 112.9 . . 1 . . . . . . . . 4093 1 319 . 1 1 67 67 SER H H 1 7.05 . . 1 . . . . . . . . 4093 1 320 . 1 1 67 67 SER C C 13 175.7 . . 1 . . . . . . . . 4093 1 321 . 1 1 67 67 SER CA C 13 56.1 . . 1 . . . . . . . . 4093 1 322 . 1 1 67 67 SER HA H 1 4.54 . . 1 . . . . . . . . 4093 1 323 . 1 1 68 68 GLY N N 15 104.6 . . 1 . . . . . . . . 4093 1 324 . 1 1 68 68 GLY H H 1 8.32 . . 1 . . . . . . . . 4093 1 325 . 1 1 68 68 GLY C C 13 173.8 . . 1 . . . . . . . . 4093 1 326 . 1 1 68 68 GLY CA C 13 43.8 . . 1 . . . . . . . . 4093 1 327 . 1 1 69 69 LEU N N 15 117.7 . . 1 . . . . . . . . 4093 1 328 . 1 1 69 69 LEU H H 1 8.35 . . 1 . . . . . . . . 4093 1 329 . 1 1 69 69 LEU C C 13 176.4 . . 1 . . . . . . . . 4093 1 330 . 1 1 69 69 LEU CA C 13 57.6 . . 1 . . . . . . . . 4093 1 331 . 1 1 69 69 LEU HA H 1 4.07 . . 1 . . . . . . . . 4093 1 332 . 1 1 70 70 GLU N N 15 115.2 . . 1 . . . . . . . . 4093 1 333 . 1 1 70 70 GLU H H 1 7.57 . . 1 . . . . . . . . 4093 1 334 . 1 1 70 70 GLU C C 13 174.8 . . 1 . . . . . . . . 4093 1 335 . 1 1 70 70 GLU CA C 13 53.7 . . 1 . . . . . . . . 4093 1 336 . 1 1 70 70 GLU HA H 1 5.83 . . 1 . . . . . . . . 4093 1 337 . 1 1 71 71 VAL N N 15 119.6 . . 1 . . . . . . . . 4093 1 338 . 1 1 71 71 VAL H H 1 8.06 . . 1 . . . . . . . . 4093 1 339 . 1 1 71 71 VAL C C 13 169.9 . . 1 . . . . . . . . 4093 1 340 . 1 1 71 71 VAL CA C 13 61.1 . . 1 . . . . . . . . 4093 1 341 . 1 1 71 71 VAL HA H 1 4.64 . . 1 . . . . . . . . 4093 1 342 . 1 1 72 72 ASN N N 15 122.8 . . 1 . . . . . . . . 4093 1 343 . 1 1 72 72 ASN H H 1 7.92 . . 1 . . . . . . . . 4093 1 344 . 1 1 72 72 ASN C C 13 174.00 . . 1 . . . . . . . . 4093 1 345 . 1 1 72 72 ASN CA C 13 51.8 . . 1 . . . . . . . . 4093 1 346 . 1 1 72 72 ASN HA H 1 5.93 . . 1 . . . . . . . . 4093 1 347 . 1 1 73 73 ILE N N 15 125.2 . . 1 . . . . . . . . 4093 1 348 . 1 1 73 73 ILE H H 1 9.75 . . 1 . . . . . . . . 4093 1 349 . 1 1 73 73 ILE CA C 13 61.1 . . 1 . . . . . . . . 4093 1 350 . 1 1 74 74 VAL N N 15 126.2 . . 1 . . . . . . . . 4093 1 351 . 1 1 74 74 VAL H H 1 8.93 . . 1 . . . . . . . . 4093 1 352 . 1 1 74 74 VAL C C 13 175.4 . . 1 . . . . . . . . 4093 1 353 . 1 1 74 74 VAL CA C 13 60.6 . . 1 . . . . . . . . 4093 1 354 . 1 1 74 74 VAL HA H 1 5.00 . . 1 . . . . . . . . 4093 1 355 . 1 1 75 75 THR N N 15 120.4 . . 1 . . . . . . . . 4093 1 356 . 1 1 75 75 THR H H 1 8.76 . . 1 . . . . . . . . 4093 1 357 . 1 1 75 75 THR C C 13 171.6 . . 1 . . . . . . . . 4093 1 358 . 1 1 75 75 THR CA C 13 58.1 . . 1 . . . . . . . . 4093 1 359 . 1 1 75 75 THR HA H 1 5.18 . . 1 . . . . . . . . 4093 1 360 . 1 1 77 77 SER C C 13 174.8 . . 1 . . . . . . . . 4093 1 361 . 1 1 77 77 SER CA C 13 56.9 . . 1 . . . . . . . . 4093 1 362 . 1 1 77 77 SER HA H 1 4.63 . . 1 . . . . . . . . 4093 1 363 . 1 1 78 78 GLN N N 15 128.6 . . 1 . . . . . . . . 4093 1 364 . 1 1 78 78 GLN H H 1 8.7 . . 1 . . . . . . . . 4093 1 365 . 1 1 78 78 GLN CA C 13 58.2 . . 1 . . . . . . . . 4093 1 366 . 1 1 78 78 GLN HA H 1 3.96 . . 1 . . . . . . . . 4093 1 367 . 1 1 79 79 TYR N N 15 120.3 . . 1 . . . . . . . . 4093 1 368 . 1 1 79 79 TYR H H 1 8.4 . . 1 . . . . . . . . 4093 1 369 . 1 1 79 79 TYR C C 13 176.9 . . 1 . . . . . . . . 4093 1 370 . 1 1 79 79 TYR CA C 13 60.2 . . 1 . . . . . . . . 4093 1 371 . 1 1 79 79 TYR HA H 1 4.26 . . 1 . . . . . . . . 4093 1 372 . 1 1 80 80 ALA N N 15 121.6 . . 1 . . . . . . . . 4093 1 373 . 1 1 80 80 ALA H H 1 8.4 . . 1 . . . . . . . . 4093 1 374 . 1 1 80 80 ALA C C 13 178.8 . . 1 . . . . . . . . 4093 1 375 . 1 1 80 80 ALA CA C 13 54.7 . . 1 . . . . . . . . 4093 1 376 . 1 1 80 80 ALA HA H 1 3.59 . . 1 . . . . . . . . 4093 1 377 . 1 1 81 81 LEU N N 15 114.9 . . 1 . . . . . . . . 4093 1 378 . 1 1 81 81 LEU H H 1 7.54 . . 1 . . . . . . . . 4093 1 379 . 1 1 81 81 LEU C C 13 178.6 . . 1 . . . . . . . . 4093 1 380 . 1 1 81 81 LEU CA C 13 57.9 . . 1 . . . . . . . . 4093 1 381 . 1 1 81 81 LEU HA H 1 3.8 . . 1 . . . . . . . . 4093 1 382 . 1 1 82 82 GLY N N 15 104.5 . . 1 . . . . . . . . 4093 1 383 . 1 1 82 82 GLY H H 1 7.9 . . 1 . . . . . . . . 4093 1 384 . 1 1 82 82 GLY C C 13 176.6 . . 1 . . . . . . . . 4093 1 385 . 1 1 82 82 GLY CA C 13 46.7 . . 1 . . . . . . . . 4093 1 386 . 1 1 82 82 GLY HA2 H 1 3.8 . . 1 . . . . . . . . 4093 1 387 . 1 1 82 82 GLY HA3 H 1 3.8 . . 1 . . . . . . . . 4093 1 388 . 1 1 83 83 ILE N N 15 120.7 . . 1 . . . . . . . . 4093 1 389 . 1 1 83 83 ILE H H 1 7.39 . . 1 . . . . . . . . 4093 1 390 . 1 1 83 83 ILE C C 13 177.3 . . 1 . . . . . . . . 4093 1 391 . 1 1 83 83 ILE CA C 13 62.9 . . 1 . . . . . . . . 4093 1 392 . 1 1 83 83 ILE HA H 1 3.84 . . 1 . . . . . . . . 4093 1 393 . 1 1 84 84 ILE N N 15 117.5 . . 1 . . . . . . . . 4093 1 394 . 1 1 84 84 ILE H H 1 7.39 . . 1 . . . . . . . . 4093 1 395 . 1 1 84 84 ILE C C 13 178.00 . . 1 . . . . . . . . 4093 1 396 . 1 1 84 84 ILE CA C 13 64.2 . . 1 . . . . . . . . 4093 1 397 . 1 1 84 84 ILE HA H 1 3.65 . . 1 . . . . . . . . 4093 1 398 . 1 1 85 85 GLN N N 15 116.7 . . 1 . . . . . . . . 4093 1 399 . 1 1 85 85 GLN H H 1 8.03 . . 1 . . . . . . . . 4093 1 400 . 1 1 85 85 GLN C C 13 176.2 . . 1 . . . . . . . . 4093 1 401 . 1 1 85 85 GLN CA C 13 57.4 . . 1 . . . . . . . . 4093 1 402 . 1 1 85 85 GLN HA H 1 4.42 . . 1 . . . . . . . . 4093 1 403 . 1 1 86 86 ALA N N 15 121.00 . . 1 . . . . . . . . 4093 1 404 . 1 1 86 86 ALA H H 1 7.38 . . 1 . . . . . . . . 4093 1 405 . 1 1 86 86 ALA C C 13 176.4 . . 1 . . . . . . . . 4093 1 406 . 1 1 86 86 ALA CA C 13 52.5 . . 1 . . . . . . . . 4093 1 407 . 1 1 86 86 ALA HA H 1 4.35 . . 1 . . . . . . . . 4093 1 408 . 1 1 87 87 GLN N N 15 115.9 . . 1 . . . . . . . . 4093 1 409 . 1 1 87 87 GLN H H 1 7.95 . . 1 . . . . . . . . 4093 1 410 . 1 1 87 87 GLN C C 13 173.1 . . 1 . . . . . . . . 4093 1 411 . 1 1 87 87 GLN CA C 13 55.00 . . 1 . . . . . . . . 4093 1 412 . 1 1 87 87 GLN HA H 1 4.4 . . 1 . . . . . . . . 4093 1 413 . 1 1 88 88 PRO C C 13 176.5 . . 1 . . . . . . . . 4093 1 414 . 1 1 88 88 PRO CA C 13 63.4 . . 1 . . . . . . . . 4093 1 415 . 1 1 88 88 PRO HA H 1 4.43 . . 1 . . . . . . . . 4093 1 416 . 1 1 89 89 ASP N N 15 119.00 . . 1 . . . . . . . . 4093 1 417 . 1 1 89 89 ASP H H 1 8.37 . . 1 . . . . . . . . 4093 1 418 . 1 1 89 89 ASP C C 13 176.3 . . 1 . . . . . . . . 4093 1 419 . 1 1 89 89 ASP CA C 13 54.1 . . 1 . . . . . . . . 4093 1 420 . 1 1 89 89 ASP HA H 1 4.61 . . 1 . . . . . . . . 4093 1 421 . 1 1 90 90 GLN N N 15 118.5 . . 1 . . . . . . . . 4093 1 422 . 1 1 90 90 GLN H H 1 8.21 . . 1 . . . . . . . . 4093 1 423 . 1 1 90 90 GLN C C 13 175.7 . . 1 . . . . . . . . 4093 1 424 . 1 1 90 90 GLN CA C 13 56.3 . . 1 . . . . . . . . 4093 1 425 . 1 1 90 90 GLN HA H 1 4.32 . . 1 . . . . . . . . 4093 1 426 . 1 1 91 91 SER N N 15 115.5 . . 1 . . . . . . . . 4093 1 427 . 1 1 91 91 SER H H 1 8.5 . . 1 . . . . . . . . 4093 1 428 . 1 1 91 91 SER C C 13 174.9 . . 1 . . . . . . . . 4093 1 429 . 1 1 91 91 SER CA C 13 59.00 . . 1 . . . . . . . . 4093 1 430 . 1 1 91 91 SER HA H 1 4.4 . . 1 . . . . . . . . 4093 1 431 . 1 1 92 92 GLU N N 15 122.2 . . 1 . . . . . . . . 4093 1 432 . 1 1 92 92 GLU H H 1 8.34 . . 1 . . . . . . . . 4093 1 433 . 1 1 92 92 GLU C C 13 176.3 . . 1 . . . . . . . . 4093 1 434 . 1 1 92 92 GLU CA C 13 56.6 . . 1 . . . . . . . . 4093 1 435 . 1 1 92 92 GLU HA H 1 4.39 . . 1 . . . . . . . . 4093 1 436 . 1 1 93 93 SER N N 15 114.4 . . 1 . . . . . . . . 4093 1 437 . 1 1 93 93 SER H H 1 7.98 . . 1 . . . . . . . . 4093 1 438 . 1 1 93 93 SER C C 13 175.1 . . 1 . . . . . . . . 4093 1 439 . 1 1 93 93 SER CA C 13 58.5 . . 1 . . . . . . . . 4093 1 440 . 1 1 93 93 SER HA H 1 4.31 . . 1 . . . . . . . . 4093 1 441 . 1 1 94 94 GLU N N 15 126.7 . . 1 . . . . . . . . 4093 1 442 . 1 1 94 94 GLU H H 1 8.76 . . 1 . . . . . . . . 4093 1 443 . 1 1 94 94 GLU C C 13 178.00 . . 1 . . . . . . . . 4093 1 444 . 1 1 94 94 GLU CA C 13 59.6 . . 1 . . . . . . . . 4093 1 445 . 1 1 94 94 GLU HA H 1 4.1 . . 1 . . . . . . . . 4093 1 446 . 1 1 95 95 LEU N N 15 120.00 . . 1 . . . . . . . . 4093 1 447 . 1 1 95 95 LEU H H 1 7.84 . . 1 . . . . . . . . 4093 1 448 . 1 1 95 95 LEU C C 13 178.5 . . 1 . . . . . . . . 4093 1 449 . 1 1 95 95 LEU CA C 13 57.4 . . 1 . . . . . . . . 4093 1 450 . 1 1 95 95 LEU HA H 1 4.1 . . 1 . . . . . . . . 4093 1 451 . 1 1 96 96 VAL N N 15 117.9 . . 1 . . . . . . . . 4093 1 452 . 1 1 96 96 VAL H H 1 7.68 . . 1 . . . . . . . . 4093 1 453 . 1 1 96 96 VAL C C 13 177.4 . . 1 . . . . . . . . 4093 1 454 . 1 1 96 96 VAL CA C 13 67.6 . . 1 . . . . . . . . 4093 1 455 . 1 1 96 96 VAL HA H 1 3.37 . . 1 . . . . . . . . 4093 1 456 . 1 1 97 97 ASN N N 15 117.2 . . 1 . . . . . . . . 4093 1 457 . 1 1 97 97 ASN H H 1 8.00 . . 1 . . . . . . . . 4093 1 458 . 1 1 97 97 ASN C C 13 178.1 . . 1 . . . . . . . . 4093 1 459 . 1 1 97 97 ASN CA C 13 56.8 . . 1 . . . . . . . . 4093 1 460 . 1 1 97 97 ASN HA H 1 4.4 . . 1 . . . . . . . . 4093 1 461 . 1 1 98 98 GLN N N 15 119.9 . . 1 . . . . . . . . 4093 1 462 . 1 1 98 98 GLN H H 1 8.07 . . 1 . . . . . . . . 4093 1 463 . 1 1 98 98 GLN C C 13 179.2 . . 1 . . . . . . . . 4093 1 464 . 1 1 98 98 GLN CA C 13 59.1 . . 1 . . . . . . . . 4093 1 465 . 1 1 98 98 GLN HA H 1 4.07 . . 1 . . . . . . . . 4093 1 466 . 1 1 99 99 ILE N N 15 121.7 . . 1 . . . . . . . . 4093 1 467 . 1 1 99 99 ILE H H 1 8.06 . . 1 . . . . . . . . 4093 1 468 . 1 1 99 99 ILE C C 13 177.3 . . 1 . . . . . . . . 4093 1 469 . 1 1 99 99 ILE CA C 13 66.3 . . 1 . . . . . . . . 4093 1 470 . 1 1 99 99 ILE HA H 1 3.52 . . 1 . . . . . . . . 4093 1 471 . 1 1 100 100 ILE N N 15 121.3 . . 1 . . . . . . . . 4093 1 472 . 1 1 100 100 ILE H H 1 8.53 . . 1 . . . . . . . . 4093 1 473 . 1 1 100 100 ILE C C 13 177.1 . . 1 . . . . . . . . 4093 1 474 . 1 1 100 100 ILE CA C 13 65.9 . . 1 . . . . . . . . 4093 1 475 . 1 1 100 100 ILE HA H 1 3.36 . . 1 . . . . . . . . 4093 1 476 . 1 1 101 101 GLU N N 15 116.7 . . 1 . . . . . . . . 4093 1 477 . 1 1 101 101 GLU H H 1 7.91 . . 1 . . . . . . . . 4093 1 478 . 1 1 101 101 GLU C C 13 179.2 . . 1 . . . . . . . . 4093 1 479 . 1 1 101 101 GLU CA C 13 59.6 . . 1 . . . . . . . . 4093 1 480 . 1 1 101 101 GLU HA H 1 3.93 . . 1 . . . . . . . . 4093 1 481 . 1 1 102 102 GLN N N 15 114.5 . . 1 . . . . . . . . 4093 1 482 . 1 1 102 102 GLN H H 1 7.46 . . 1 . . . . . . . . 4093 1 483 . 1 1 102 102 GLN C C 13 178.6 . . 1 . . . . . . . . 4093 1 484 . 1 1 102 102 GLN CA C 13 57.7 . . 1 . . . . . . . . 4093 1 485 . 1 1 102 102 GLN HA H 1 3.94 . . 1 . . . . . . . . 4093 1 486 . 1 1 103 103 LEU N N 15 120.9 . . 1 . . . . . . . . 4093 1 487 . 1 1 103 103 LEU H H 1 8.42 . . 1 . . . . . . . . 4093 1 488 . 1 1 103 103 LEU C C 13 179.3 . . 1 . . . . . . . . 4093 1 489 . 1 1 103 103 LEU CA C 13 58.6 . . 1 . . . . . . . . 4093 1 490 . 1 1 103 103 LEU HA H 1 3.58 . . 1 . . . . . . . . 4093 1 491 . 1 1 104 104 ILE N N 15 115.3 . . 1 . . . . . . . . 4093 1 492 . 1 1 104 104 ILE H H 1 7.91 . . 1 . . . . . . . . 4093 1 493 . 1 1 104 104 ILE C C 13 176.6 . . 1 . . . . . . . . 4093 1 494 . 1 1 104 104 ILE CA C 13 64.7 . . 1 . . . . . . . . 4093 1 495 . 1 1 104 104 ILE HA H 1 3.79 . . 1 . . . . . . . . 4093 1 496 . 1 1 105 105 LYS N N 15 116.6 . . 1 . . . . . . . . 4093 1 497 . 1 1 105 105 LYS H H 1 6.97 . . 1 . . . . . . . . 4093 1 498 . 1 1 105 105 LYS C C 13 177.6 . . 1 . . . . . . . . 4093 1 499 . 1 1 105 105 LYS CA C 13 57.1 . . 1 . . . . . . . . 4093 1 500 . 1 1 105 105 LYS HA H 1 4.22 . . 1 . . . . . . . . 4093 1 501 . 1 1 106 106 LYS N N 15 116.5 . . 1 . . . . . . . . 4093 1 502 . 1 1 106 106 LYS H H 1 7.19 . . 1 . . . . . . . . 4093 1 503 . 1 1 106 106 LYS C C 13 176.8 . . 1 . . . . . . . . 4093 1 504 . 1 1 106 106 LYS CA C 13 54.3 . . 1 . . . . . . . . 4093 1 505 . 1 1 106 106 LYS HA H 1 4.27 . . 1 . . . . . . . . 4093 1 506 . 1 1 107 107 GLU N N 15 120.8 . . 1 . . . . . . . . 4093 1 507 . 1 1 107 107 GLU H H 1 9.03 . . 1 . . . . . . . . 4093 1 508 . 1 1 107 107 GLU C C 13 177.7 . . 1 . . . . . . . . 4093 1 509 . 1 1 107 107 GLU CA C 13 58.5 . . 1 . . . . . . . . 4093 1 510 . 1 1 107 107 GLU HA H 1 4.37 . . 1 . . . . . . . . 4093 1 511 . 1 1 108 108 LYS N N 15 114.8 . . 1 . . . . . . . . 4093 1 512 . 1 1 108 108 LYS H H 1 7.69 . . 1 . . . . . . . . 4093 1 513 . 1 1 108 108 LYS C C 13 174.1 . . 1 . . . . . . . . 4093 1 514 . 1 1 108 108 LYS CA C 13 56.1 . . 1 . . . . . . . . 4093 1 515 . 1 1 108 108 LYS HA H 1 4.93 . . 1 . . . . . . . . 4093 1 516 . 1 1 109 109 VAL N N 15 121.2 . . 1 . . . . . . . . 4093 1 517 . 1 1 109 109 VAL H H 1 9.07 . . 1 . . . . . . . . 4093 1 518 . 1 1 109 109 VAL C C 13 172.7 . . 1 . . . . . . . . 4093 1 519 . 1 1 109 109 VAL CA C 13 60.3 . . 1 . . . . . . . . 4093 1 520 . 1 1 109 109 VAL HA H 1 4.98 . . 1 . . . . . . . . 4093 1 521 . 1 1 110 110 TYR N N 15 129.6 . . 1 . . . . . . . . 4093 1 522 . 1 1 110 110 TYR H H 1 8.44 . . 1 . . . . . . . . 4093 1 523 . 1 1 110 110 TYR C C 13 172.2 . . 1 . . . . . . . . 4093 1 524 . 1 1 110 110 TYR CA C 13 56.3 . . 1 . . . . . . . . 4093 1 525 . 1 1 110 110 TYR HA H 1 4.8 . . 1 . . . . . . . . 4093 1 526 . 1 1 111 111 LEU N N 15 129.1 . . 1 . . . . . . . . 4093 1 527 . 1 1 111 111 LEU H H 1 7.93 . . 1 . . . . . . . . 4093 1 528 . 1 1 111 111 LEU C C 13 174.00 . . 1 . . . . . . . . 4093 1 529 . 1 1 111 111 LEU CA C 13 52.8 . . 1 . . . . . . . . 4093 1 530 . 1 1 111 111 LEU HA H 1 5.31 . . 1 . . . . . . . . 4093 1 531 . 1 1 112 112 ALA N N 15 125.1 . . 1 . . . . . . . . 4093 1 532 . 1 1 112 112 ALA H H 1 8.38 . . 1 . . . . . . . . 4093 1 533 . 1 1 112 112 ALA C C 13 174.2 . . 1 . . . . . . . . 4093 1 534 . 1 1 112 112 ALA CA C 13 50.9 . . 1 . . . . . . . . 4093 1 535 . 1 1 112 112 ALA HA H 1 4.32 . . 1 . . . . . . . . 4093 1 536 . 1 1 113 113 ALA N N 15 120.8 . . 1 . . . . . . . . 4093 1 537 . 1 1 113 113 ALA H H 1 8.21 . . 1 . . . . . . . . 4093 1 538 . 1 1 113 113 ALA C C 13 177.8 . . 1 . . . . . . . . 4093 1 539 . 1 1 113 113 ALA CA C 13 49.6 . . 1 . . . . . . . . 4093 1 540 . 1 1 113 113 ALA HA H 1 5.5 . . 1 . . . . . . . . 4093 1 541 . 1 1 118 118 LYS N N 15 119.4 . . 1 . . . . . . . . 4093 1 542 . 1 1 118 118 LYS H H 1 7.74 . . 1 . . . . . . . . 4093 1 543 . 1 1 118 118 LYS C C 13 178.2 . . 1 . . . . . . . . 4093 1 544 . 1 1 118 118 LYS CA C 13 58.5 . . 1 . . . . . . . . 4093 1 545 . 1 1 118 118 LYS HA H 1 4.06 . . 1 . . . . . . . . 4093 1 546 . 1 1 119 119 GLY CA C 13 45.4 . . 1 . . . . . . . . 4093 1 547 . 1 1 119 119 GLY HA2 H 1 4.03 . . 2 . . . . . . . . 4093 1 548 . 1 1 119 119 GLY HA3 H 1 3.83 . . 2 . . . . . . . . 4093 1 549 . 1 1 120 120 ILE N N 15 119.5 . . 1 . . . . . . . . 4093 1 550 . 1 1 120 120 ILE H H 1 7.87 . . 1 . . . . . . . . 4093 1 551 . 1 1 120 120 ILE C C 13 176.8 . . 1 . . . . . . . . 4093 1 552 . 1 1 120 120 ILE CA C 13 60.9 . . 1 . . . . . . . . 4093 1 553 . 1 1 120 120 ILE HA H 1 4.15 . . 1 . . . . . . . . 4093 1 554 . 1 1 121 121 GLY N N 15 113.8 . . 1 . . . . . . . . 4093 1 555 . 1 1 121 121 GLY H H 1 8.66 . . 1 . . . . . . . . 4093 1 556 . 1 1 121 121 GLY C C 13 175.00 . . 1 . . . . . . . . 4093 1 557 . 1 1 121 121 GLY CA C 13 45.6 . . 1 . . . . . . . . 4093 1 558 . 1 1 121 121 GLY HA2 H 1 3.93 . . 1 . . . . . . . . 4093 1 559 . 1 1 121 121 GLY HA3 H 1 3.93 . . 1 . . . . . . . . 4093 1 560 . 1 1 122 122 GLY N N 15 108.8 . . 1 . . . . . . . . 4093 1 561 . 1 1 122 122 GLY H H 1 8.13 . . 1 . . . . . . . . 4093 1 562 . 1 1 123 123 ASN C C 13 174.2 . . 1 . . . . . . . . 4093 1 563 . 1 1 123 123 ASN CA C 13 53.8 . . 1 . . . . . . . . 4093 1 564 . 1 1 123 123 ASN HA H 1 4.61 . . 1 . . . . . . . . 4093 1 565 . 1 1 124 124 GLU N N 15 120.5 . . 1 . . . . . . . . 4093 1 566 . 1 1 124 124 GLU H H 1 8.57 . . 1 . . . . . . . . 4093 1 567 . 1 1 124 124 GLU C C 13 175.6 . . 1 . . . . . . . . 4093 1 568 . 1 1 124 124 GLU CA C 13 57.00 . . 1 . . . . . . . . 4093 1 569 . 1 1 124 124 GLU HA H 1 4.24 . . 1 . . . . . . . . 4093 1 570 . 1 1 133 133 GLY N N 15 110.00 . . 1 . . . . . . . . 4093 1 571 . 1 1 133 133 GLY H H 1 8.59 . . 1 . . . . . . . . 4093 1 572 . 1 1 133 133 GLY C C 13 178.00 . . 1 . . . . . . . . 4093 1 573 . 1 1 133 133 GLY CA C 13 45.2 . . 1 . . . . . . . . 4093 1 574 . 1 1 133 133 GLY HA2 H 1 3.95 . . 2 . . . . . . . . 4093 1 575 . 1 1 133 133 GLY HA3 H 1 3.8 . . 2 . . . . . . . . 4093 1 576 . 1 1 134 134 ILE N N 15 119.7 . . 1 . . . . . . . . 4093 1 577 . 1 1 134 134 ILE H H 1 8.03 . . 1 . . . . . . . . 4093 1 578 . 1 1 134 134 ILE C C 13 177.00 . . 1 . . . . . . . . 4093 1 579 . 1 1 134 134 ILE CA C 13 64.3 . . 1 . . . . . . . . 4093 1 580 . 1 1 134 134 ILE HA H 1 4.22 . . 1 . . . . . . . . 4093 1 581 . 1 1 135 135 ARG N N 15 114.00 . . 1 . . . . . . . . 4093 1 582 . 1 1 135 135 ARG H H 1 7.10 . . 1 . . . . . . . . 4093 1 583 . 1 1 135 135 ARG C C 13 175.4 . . 1 . . . . . . . . 4093 1 584 . 1 1 135 135 ARG CA C 13 55.8 . . 1 . . . . . . . . 4093 1 585 . 1 1 135 135 ARG HA H 1 4.4 . . 1 . . . . . . . . 4093 1 586 . 1 1 136 136 LYS N N 15 122.7 . . 1 . . . . . . . . 4093 1 587 . 1 1 136 136 LYS H H 1 8.25 . . 1 . . . . . . . . 4093 1 588 . 1 1 136 136 LYS C C 13 175.7 . . 1 . . . . . . . . 4093 1 589 . 1 1 136 136 LYS CA C 13 56.3 . . 1 . . . . . . . . 4093 1 590 . 1 1 136 136 LYS HA H 1 4.35 . . 1 . . . . . . . . 4093 1 591 . 1 1 137 137 VAL N N 15 122.3 . . 1 . . . . . . . . 4093 1 592 . 1 1 137 137 VAL H H 1 8.15 . . 1 . . . . . . . . 4093 1 593 . 1 1 137 137 VAL C C 13 174.9 . . 1 . . . . . . . . 4093 1 594 . 1 1 137 137 VAL CA C 13 62.4 . . 1 . . . . . . . . 4093 1 595 . 1 1 137 137 VAL HA H 1 4.11 . . 1 . . . . . . . . 4093 1 596 . 1 1 138 138 LEU N N 15 130.6 . . 1 . . . . . . . . 4093 1 597 . 1 1 138 138 LEU H H 1 7.83 . . 1 . . . . . . . . 4093 1 598 . 1 1 138 138 LEU CA C 13 56.6 . . 1 . . . . . . . . 4093 1 599 . 1 1 138 138 LEU HA H 1 4.2 . . 1 . . . . . . . . 4093 1 stop_ save_