data_5932 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5932 _Entry.Title ; YNMG tetraloop formation by a dyskeratosis congenita mutation in human telomerase RNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-09-04 _Entry.Accession_date 2003-09-04 _Entry.Last_release_date 2003-12-19 _Entry.Original_release_date 2003-12-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 C. Theimer . A. . 5932 2 L. Finger . D. . 5932 3 J. Feigon . . . 5932 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5932 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 100 5932 '15N chemical shifts' 31 5932 '1H chemical shifts' 136 5932 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 . . 2003-12-19 2003-09-04 original author . 5932 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1Q75 'BMRB Entry Tracking System' 5932 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5932 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14624001 _Citation.Full_citation . _Citation.Title ; YNMG tetraloop formation by a dyskeratosis congenita mutation in human telomerase RNA ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev RNA _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue 12 _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 1446 _Citation.Page_last 1455 _Citation.Year 2003 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 C. Theimer . A. . 5932 1 2 L. Finger . D. . 5932 1 3 J. Feigon . . . 5932 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID PENTALOOP 5932 1 TETRALOOP 5932 1 UUCG 5932 1 YNMG 5932 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_hTR-DKC _Assembly.Sf_category assembly _Assembly.Sf_framecode system_hTR-DKC _Assembly.Entry_ID 5932 _Assembly.ID 1 _Assembly.Name 'DKC mutant P2b telomerase RNA' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5932 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 dcloop 1 $hTR-DKC . . . native . . . . . 5932 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1Q75 . . . . . . 5932 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'DKC mutant P2b telomerase RNA' system 5932 1 hTR-DKC abbreviation 5932 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hTR-DKC _Entity.Sf_category entity _Entity.Sf_framecode hTR-DKC _Entity.Entry_ID 5932 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'human telomerase RNA P2b loop' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code GGCUCUCAGUGAGCC _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 15 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 4093 . RNase_H-HIV-1 . . . . . 100.00 138 99.28 99.28 2.88e-91 . . . . 5932 1 2 no BMRB 5347 . RNase_H_domain . . . . . 100.00 138 100.00 100.00 9.03e-93 . . . . 5932 1 3 no BMRB 5931 . Rnase_H . . . . . 100.00 138 100.00 100.00 9.03e-93 . . . . 5932 1 4 no PDB 1C0T . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Bm+21.1326" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5932 1 5 no PDB 1C0U . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Bm+50.0934" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5932 1 6 no PDB 1C1B . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Gca- 186" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5932 1 7 no PDB 1C1C . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Tnk- 6123" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5932 1 8 no PDB 1DTQ . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Pett- 1 (pett131a94)" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5932 1 9 no PDB 1DTT . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Pett- 2 (pett130a94)" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5932 1 10 no PDB 1EP4 . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With S- 1153" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5932 1 11 no PDB 1FK9 . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Dmp- 266(Efavirenz)" . . . . . 85.51 543 99.15 99.15 4.80e-72 . . . . 5932 1 12 no PDB 1FKO . "Crystal Structure Of Nnrti Resistant K103n Mutant Hiv-1 Reverse Transcriptase In Complex With Dmp-266(Efavirenz)" . . . . . 85.51 543 99.15 99.15 4.85e-72 . . . . 5932 1 13 no PDB 1FKP . "Crystal Structure Of Nnrti Resistant K103n Mutant Hiv-1 Reverse Transcriptase In Complex With Nevirapine" . . . . . 85.51 543 99.15 99.15 4.85e-72 . . . . 5932 1 14 no PDB 1JKH . "Crystal Structure Of Y181c Mutant Hiv-1 Reverse Transcriptase In Complex With Dmp-266(Efavirenz)" . . . . . 97.10 560 100.00 100.00 3.35e-84 . . . . 5932 1 15 no PDB 1JLA . "Crystal Structure Of Y181c Mutant Hiv-1 Reverse Transcriptase In Complex With Tnk-651" . . . . . 97.10 560 100.00 100.00 3.35e-84 . . . . 5932 1 16 no PDB 1JLB . "Crystal Structure Of Y181c Mutant Hiv-1 Reverse Transcriptase In Complex With Nevirapine" . . . . . 97.10 560 100.00 100.00 3.35e-84 . . . . 5932 1 17 no PDB 1JLC . "Crystal Structure Of Y181c Mutant Hiv-1 Reverse Transcriptase In Complex With Pett-2" . . . . . 97.10 560 100.00 100.00 3.35e-84 . . . . 5932 1 18 no PDB 1JLE . "Crystal Structure Of Y188c Mutant Hiv-1 Reverse Transcriptase" . . . . . 97.10 560 100.00 100.00 3.35e-84 . . . . 5932 1 19 no PDB 1JLF . "Crystal Structure Of Y188c Mutant Hiv-1 Reverse Transcriptase In Complex With Nevirapine" . . . . . 97.10 560 100.00 100.00 3.35e-84 . . . . 5932 1 20 no PDB 1JLG . "Crystal Structure Of Y188c Mutant Hiv-1 Reverse Transcriptase In Complex With Uc-781" . . . . . 97.10 560 100.00 100.00 3.35e-84 . . . . 5932 1 21 no PDB 1JLQ . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With 739w94" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5932 1 22 no PDB 1KLM . "Hiv-1 Reverse Transcriptase Complexed With Bhap U-90152" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5932 1 23 no PDB 1LW0 . "Crystal Structure Of T215y Mutant Hiv-1 Reverse Transcriptase In Complex With Nevirapine" . . . . . 97.83 560 99.26 99.26 3.65e-84 . . . . 5932 1 24 no PDB 1LW2 . "Crystal Structure Of T215y Mutant Hiv-1 Reverse Transcriptase In Complex With 1051u91" . . . . . 97.83 560 99.26 99.26 3.65e-84 . . . . 5932 1 25 no PDB 1LWC . "Crystal Structure Of M184v Mutant Hiv-1 Reverse Transcriptase In Complex With Nevirapine" . . . . . 97.10 560 100.00 100.00 3.11e-84 . . . . 5932 1 26 no PDB 1LWE . "Crystal Structure Of M41lT215Y MUTANT HIV-1 Reverse Transcriptase (Rtmn) In Complex With Nevirapine" . . . . . 97.10 560 100.00 100.00 3.69e-84 . . . . 5932 1 27 no PDB 1LWF . "Crystal Structure Of A Mutant Hiv-1 Reverse Transcriptase (rtmq+m184v: M41l/d67n/k70r/m184v/t215y) In Complex With Nevirapine" . . . . . 97.10 560 100.00 100.00 3.65e-84 . . . . 5932 1 28 no PDB 1O1W . "Solution Structure Of The Rnase H Domain Of The Hiv-1 Reverse Transcriptase In The Presence Of Magnesium" . . . . . 100.00 138 100.00 100.00 9.03e-93 . . . . 5932 1 29 no PDB 1REV . "Hiv-1 Reverse Transcriptase" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5932 1 30 no PDB 1RT1 . "Crystal Structure Of Hiv-1 Reverse Transcriptase Complexed With Mkc-442" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5932 1 31 no PDB 1RT2 . "Crystal Structure Of Hiv-1 Reverse Transcriptase Complexed With Tnk-651" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5932 1 32 no PDB 1RT3 . "Azt Drug Resistant Hiv-1 Reverse Transcriptase Complexed With 1051u91" . . . . . 97.10 560 100.00 100.00 3.50e-84 . . . . 5932 1 33 no PDB 1RT4 . "Hiv-1 Reverse Transcriptase Complexed With Uc781" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5932 1 34 no PDB 1RT5 . "Hiv-1 Reverse Transcriptase Complexed With Uc10" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5932 1 35 no PDB 1RT6 . "Hiv-1 Reverse Transcriptase Complexed With Uc38" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5932 1 36 no PDB 1RT7 . "Hiv-1 Reverse Transcriptase Complexed With Uc84" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5932 1 37 no PDB 1RTH . "High Resolution Structures Of Hiv-1 Rt From Four Rt- Inhibitor Complexes" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5932 1 38 no PDB 1RTI . "High Resolution Structures Of Hiv-1 Rt From Four Rt- Inhibitor Complexes" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5932 1 39 no PDB 1RTJ . "Mechanism Of Inhibition Of Hiv-1 Reverse Transcriptase By Non-Nucleoside Inhibitors" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5932 1 40 no PDB 1S1T . "Crystal Structure Of L100i Mutant Hiv-1 Reverse Transcriptase In Complex With Uc-781" . . . . . 97.83 560 99.26 99.26 3.08e-84 . . . . 5932 1 41 no PDB 1S1U . "Crystal Structure Of L100i Mutant Hiv-1 Reverse Transcriptase In Complex With Nevirapine" . . . . . 97.83 560 99.26 99.26 3.08e-84 . . . . 5932 1 42 no PDB 1S1V . "Crystal Structure Of L100i Mutant Hiv-1 Reverse Transcriptase In Complex With Tnk-651" . . . . . 97.83 560 99.26 99.26 3.08e-84 . . . . 5932 1 43 no PDB 1S1W . "Crystal Structure Of V106a Mutant Hiv-1 Reverse Transcriptase In Complex With Uc-781" . . . . . 97.10 560 100.00 100.00 3.14e-84 . . . . 5932 1 44 no PDB 1S1X . "Crystal Structure Of V108i Mutant Hiv-1 Reverse Transcriptase In Complex With Nevirapine" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5932 1 45 no PDB 1TKT . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Gw426318" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5932 1 46 no PDB 1TKX . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Gw490745" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5932 1 47 no PDB 1TKZ . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Gw429576" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5932 1 48 no PDB 1TL1 . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Gw451211" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5932 1 49 no PDB 1TL3 . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Gw450557" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5932 1 50 no PDB 1VRT . "High Resolution Structures Of Hiv-1 Rt From Four Rt- Inhibitor Complexes" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5932 1 51 no PDB 1VRU . "High Resolution Structures Of Hiv-1 Rt From Four Rt- Inhibitor Complexes" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5932 1 52 no PDB 2HND . "Crystal Structure Of K101e Mutant Hiv-1 Reverse Transcriptase In Complex With Nevirapine" . . . . . 81.16 534 99.11 99.11 6.27e-67 . . . . 5932 1 53 no PDB 2HNY . "Crystal Structure Of E138k Mutant Hiv-1 Reverse Transcriptase In Complex With Nevirapine" . . . . . 81.16 534 99.11 99.11 5.29e-67 . . . . 5932 1 54 no PDB 2HNZ . "Crystal Structure Of E138k Mutant Hiv-1 Reverse Transcriptase In Complex With Pett-2" . . . . . 81.16 534 99.11 99.11 5.29e-67 . . . . 5932 1 55 no PDB 2JLE . "Novel Indazole Nnrtis Created Using Molecular Template Hybridization Based On Crystallographic Overlays" . . . . . 97.10 566 100.00 100.00 4.68e-84 . . . . 5932 1 56 no PDB 2OPP . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Gw420867x" . . . . . 86.96 542 99.17 99.17 7.60e-74 . . . . 5932 1 57 no PDB 2OPQ . "Crystal Structure Of L100i Mutant Hiv-1 Reverse Transcriptase In Complex With Gw420867x" . . . . . 81.16 534 99.11 99.11 5.41e-67 . . . . 5932 1 58 no PDB 2OPR . "Crystal Structure Of K101e Mutant Hiv-1 Reverse Transcriptase In Complex With Gw420867x" . . . . . 89.13 547 99.19 99.19 8.84e-76 . . . . 5932 1 59 no PDB 2OPS . "Crystal Structure Of Y188c Mutant Hiv-1 Reverse Transcriptase In Complex With Gw420867x" . . . . . 85.51 542 99.15 99.15 4.45e-72 . . . . 5932 1 60 no PDB 2RF2 . "Hiv Reverse Transcriptase In Complex With Inhibitor 7e (Nnrti)" . . . . . 97.10 563 100.00 100.00 3.67e-84 . . . . 5932 1 61 no PDB 2RKI . "Crystal Structure Of Hiv-1 Reverse Transcriptase (Rt) In Complex With A Triazole Derived Nnrti" . . . . . 97.10 560 100.00 100.00 3.54e-84 . . . . 5932 1 62 no PDB 2WOM . "Crystal Structure Of Uk-453061 Bound To Hiv-1 Reverse Transcriptase (k103n)" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5932 1 63 no PDB 2WON . "Crystal Structure Of Uk-453061 Bound To Hiv-1 Reverse Transcriptase (Wild-Type)." . . . . . 97.10 560 100.00 100.00 3.54e-84 . . . . 5932 1 64 no PDB 2YNF . "Hiv-1 Reverse Transcriptase Y188l Mutant In Complex With Inhibitor Gsk560" . . . . . 97.10 563 100.00 100.00 3.45e-84 . . . . 5932 1 65 no PDB 2YNG . "Hiv-1 Reverse Transcriptase In Complex With Inhibitor Gsk560" . . . . . 97.10 563 100.00 100.00 3.67e-84 . . . . 5932 1 66 no PDB 2YNH . "Hiv-1 Reverse Transcriptase In Complex With Inhibitor Gsk500" . . . . . 97.10 563 100.00 100.00 3.67e-84 . . . . 5932 1 67 no PDB 2YNI . "Hiv-1 Reverse Transcriptase In Complex With Inhibitor Gsk952" . . . . . 97.10 563 100.00 100.00 3.67e-84 . . . . 5932 1 68 no PDB 3BGR . "Crystal Structure Of K103nY181C MUTANT HIV-1 Reverse Transcriptase (Rt) In Complex With Tmc278 (Rilpivirine), A Non-Nucleoside " . . . . . 93.48 557 96.90 99.22 3.56e-78 . . . . 5932 1 69 no PDB 3C6T . "Crystal Structure Of Hiv Reverse Transcriptase In Complex With Inhibitor 14" . . . . . 97.10 563 100.00 100.00 3.67e-84 . . . . 5932 1 70 no PDB 3C6U . "Crystal Structure Of Hiv Reverse Transcriptase In Complex With Inhibitor 22" . . . . . 97.10 563 100.00 100.00 3.67e-84 . . . . 5932 1 71 no PDB 3DI6 . "Hiv-1 Rt With Pyridazinone Non-Nucleoside Inhibitor" . . . . . 97.10 561 100.00 100.00 3.58e-84 . . . . 5932 1 72 no PDB 3DLE . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Gf128590." . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5932 1 73 no PDB 3DLG . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Gw564511." . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5932 1 74 no PDB 3DM2 . "Crystal Structure Of Hiv-1 K103n Mutant Reverse Transcriptase In Complex With Gw564511." . . . . . 97.10 560 100.00 100.00 3.81e-84 . . . . 5932 1 75 no PDB 3DMJ . "Crystal Structure Of Hiv-1 V106a And Y181c Mutant Reverse Transcriptase In Complex With Gw564511" . . . . . 97.10 560 100.00 100.00 3.39e-84 . . . . 5932 1 76 no PDB 3DOK . "Crystal Structure Of K103n Mutant Hiv-1 Reverse Transcriptase In Complex With Gw678248" . . . . . 97.10 560 100.00 100.00 3.81e-84 . . . . 5932 1 77 no PDB 3DOL . "Crystal Structure Of L100i Mutant Hiv-1 Reverse Transcriptase In Complex With Gw695634" . . . . . 97.83 560 99.26 99.26 3.08e-84 . . . . 5932 1 78 no PDB 3DRP . "Hiv Reverse Transcriptase In Complex With Inhibitor R8e" . . . . . 97.10 563 100.00 100.00 3.67e-84 . . . . 5932 1 79 no PDB 3DRR . "Hiv Reverse Transcriptase Y181c Mutant In Complex With Inhibitor R8e" . . . . . 97.10 563 100.00 100.00 3.41e-84 . . . . 5932 1 80 no PDB 3DRS . "Hiv Reverse Transcriptase K103n Mutant In Complex With Inhibitor R8d" . . . . . 97.10 563 100.00 100.00 3.48e-84 . . . . 5932 1 81 no PDB 3DYA . "Hiv-1 Rt With Non-Nucleoside Inhibitor Annulated Pyrazole 1" . . . . . 97.10 561 100.00 100.00 3.58e-84 . . . . 5932 1 82 no PDB 3E01 . "Hiv-Rt With Non-Nucleoside Inhibitor Annulated Pyrazole 2" . . . . . 97.10 561 100.00 100.00 3.58e-84 . . . . 5932 1 83 no PDB 3FFI . "Hiv-1 Rt With Pyridone Non-Nucleoside Inhibitor" . . . . . 97.10 561 100.00 100.00 3.29e-84 . . . . 5932 1 84 no PDB 3I0R . "Crystal Structure Of Hiv Reverse Transcriptase In Complex With Inhibitor 3" . . . . . 97.10 563 100.00 100.00 3.67e-84 . . . . 5932 1 85 no PDB 3I0S . "Crystal Structure Of Hiv Reverse Transcriptase In Complex With Inhibitor 7" . . . . . 97.10 563 100.00 100.00 3.67e-84 . . . . 5932 1 86 no PDB 3KJV . "Hiv-1 Reverse Transcriptase In Complex With Dna" . . . . . 97.10 560 100.00 100.00 3.54e-84 . . . . 5932 1 87 no PDB 3KK1 . "Hiv-1 Reverse Transcriptase-Dna Complex With Nuceotide Inhibitor Gs- 9148-Diphosphate Bound In Nucleotide Site" . . . . . 97.10 560 100.00 100.00 3.54e-84 . . . . 5932 1 88 no PDB 3KK2 . "Hiv-1 Reverse Transcriptase-Dna Complex With Datp Bound In The Nucleotide Binding Site" . . . . . 97.10 560 100.00 100.00 3.54e-84 . . . . 5932 1 89 no PDB 3KK3 . "Hiv-1 Reverse Transcriptase-Dna Complex With Gs-9148 Terminated Primer" . . . . . 97.10 560 100.00 100.00 3.54e-84 . . . . 5932 1 90 no PDB 3KLE . "Crystal Structure Of Azt-Resistant Hiv-1 Reverse Transcriptase Crosslinked To A Dsdna With A Bound Excision Product, Aztppppa" . . . . . 97.10 562 97.01 99.25 1.53e-81 . . . . 5932 1 91 no PDB 3KLG . "Crystal Structure Of Azt-Resistant Hiv-1 Reverse Transcriptase Crosslinked To Pre-Translocation Aztmp-Terminated Dna (Complex N" . . . . . 97.10 562 97.01 99.25 1.53e-81 . . . . 5932 1 92 no PDB 3KLI . "Crystal Structure Of Unliganded Azt-Resistant Hiv-1 Reverse Transcriptase" . . . . . 97.10 562 97.01 99.25 1.53e-81 . . . . 5932 1 93 no PDB 3LAK . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With N1-Heterocycle Pyrimidinedione Non-Nucleoside Inhibitor" . . . . . 97.10 560 100.00 100.00 3.54e-84 . . . . 5932 1 94 no PDB 3LAL . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With N1-Ethyl Pyrimidinedione Non-Nucleoside Inhibitor" . . . . . 97.10 560 100.00 100.00 3.54e-84 . . . . 5932 1 95 no PDB 3LAM . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With N1-Propyl Pyrimidinedione Non-Nucleoside Inhibitor" . . . . . 97.10 560 100.00 100.00 3.54e-84 . . . . 5932 1 96 no PDB 3LAN . "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With N1-Butyl Pyrimidinedione Non-Nucleoside Inhibitor" . . . . . 97.10 560 100.00 100.00 3.54e-84 . . . . 5932 1 97 no PDB 3LP0 . "Hiv-1 Reverse Transcriptase With Inhibitor" . . . . . 97.10 563 100.00 100.00 3.48e-84 . . . . 5932 1 98 no PDB 3LP1 . "Hiv-1 Reverse Transcriptase With Inhibitor" . . . . . 97.10 563 100.00 100.00 3.48e-84 . . . . 5932 1 99 no PDB 3LP2 . "Hiv-1 Reverse Transcriptase With Inhibitor" . . . . . 97.10 563 100.00 100.00 3.48e-84 . . . . 5932 1 100 no PDB 3M8P . "Hiv-1 Rt With Nnrti Tmc-125" . . . . . 97.10 561 100.00 100.00 3.58e-84 . . . . 5932 1 101 no PDB 3M8Q . "Hiv-1 Rt With Aminopyrimidine Nnrti" . . . . . 97.10 561 100.00 100.00 3.58e-84 . . . . 5932 1 102 no PDB 3MEC . "Hiv-1 Reverse Transcriptase In Complex With Tmc125" . . . . . 97.10 560 100.00 100.00 3.54e-84 . . . . 5932 1 103 no PDB 3MED . "Hiv-1 K103n Reverse Transcriptase In Complex With Tmc125" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5932 1 104 no PDB 3MEE . "Hiv-1 Reverse Transcriptase In Complex With Tmc278" . . . . . 97.10 560 100.00 100.00 3.54e-84 . . . . 5932 1 105 no PDB 3MEG . "Hiv-1 K103n Reverse Transcriptase In Complex With Tmc278" . . . . . 97.10 560 100.00 100.00 3.57e-84 . . . . 5932 1 106 no PDB 3NBP . "Hiv-1 Reverse Transcriptase With Aminopyrimidine Inhibitor 2" . . . . . 97.10 561 100.00 100.00 3.58e-84 . . . . 5932 1 107 no PDB 3QIP . "Structure Of Hiv-1 Reverse Transcriptase In Complex With An Rnase H Inhibitor And Nevirapine" . . . . . 97.10 560 100.00 100.00 3.54e-84 . . . . 5932 1 108 no PDB 3T19 . "Crystal Structure Of Hiv-1 Reverse Transcriptase (Wild Type) In Complex With Inhibitor M05" . . . . . 97.10 563 100.00 100.00 3.67e-84 . . . . 5932 1 109 no PDB 3T1A . "Crystal Structure Of Hiv-1 Reverse Transcriptase (K103n Mutant) In Complex With Inhibitor M05" . . . . . 97.10 563 100.00 100.00 3.48e-84 . . . . 5932 1 110 no PDB 3TAM . "Crystal Structure Of Hiv-1 Reverse Transcriptase (K103n Mutant) In Complex With Inhibitor M06" . . . . . 97.10 563 100.00 100.00 3.48e-84 . . . . 5932 1 111 no PDB 4B3O . "Structures Of Hiv-1 Rt And Rna-dna Complex Reveal A Unique Rt Conformation And Substrate Interface" . . . . . 97.10 560 97.01 100.00 8.11e-82 . . . . 5932 1 112 no PDB 4I2Q . "Crystal Structure Of K103n/y181c Mutant Of Hiv-1 Reverse Transcriptase In Complex With Rilpivirine (tmc278) Analogue" . . . . . 93.48 557 96.90 99.22 3.56e-78 . . . . 5932 1 113 no PDB 4I7F . "Hiv-1 Reverse Transcriptase In Complex With A Phosphonate Analog Of Nevirapine" . . . . . 97.10 560 100.00 100.00 3.54e-84 . . . . 5932 1 114 no PDB 4KV8 . "Crystal Structure Of Hiv Rt In Complex With Bilr0355bs" . . . . . 97.10 564 100.00 100.00 3.34e-84 . . . . 5932 1 115 no PDB 4NCG . "Discovery Of Doravirine, An Orally Bioavailable Non-nucleoside Reverse Transcriptase Inhibitor Potent Against A Wide Range Of R" . . . . . 97.10 563 100.00 100.00 3.67e-84 . . . . 5932 1 116 no PDB 4QAG . "Structure Of A Dihydroxycoumarin Active-site Inhibitor In Complex With The Rnase H Domain Of Hiv-1 Reverse Transcriptase" . . . . . 94.93 133 96.95 99.24 2.38e-84 . . . . 5932 1 117 no DBJ BAA12997 . "Pol [Human immunodeficiency virus 1]" . . . . . 97.10 1015 97.76 100.00 1.93e-79 . . . . 5932 1 118 no DBJ BAH96515 . "Pol [Human immunodeficiency virus 1]" . . . . . 97.10 1003 97.01 98.51 1.46e-78 . . . . 5932 1 119 no DBJ BAH96524 . "Pol [Human immunodeficiency virus 1]" . . . . . 97.10 1003 97.01 98.51 1.36e-78 . . . . 5932 1 120 no GB AAA93161 . "reverse transcriptase/RNaseH, partial [Human immunodeficiency virus 1]" . . . . . 97.10 566 100.00 100.00 5.20e-84 . . . . 5932 1 121 no GB AAA93162 . "reverse transcriptase/RNaseH, partial [Human immunodeficiency virus 1]" . . . . . 97.10 566 97.01 100.00 3.17e-81 . . . . 5932 1 122 no GB AAA93165 . "reverse transcriptase/RNaseH, partial [Human immunodeficiency virus 1]" . . . . . 97.10 566 97.01 100.00 3.04e-81 . . . . 5932 1 123 no GB AAB05599 . "pol polyprotein, partial [Human immunodeficiency virus 1]" . . . . . 97.10 1003 97.01 100.00 1.71e-78 . . . . 5932 1 124 no GB AAB50259 . "pol polyprotein (NH2-terminus uncertain) [Human immunodeficiency virus 1]" . . . . . 97.10 912 100.00 100.00 3.44e-81 . . . . 5932 1 125 no PIR GNVWLV . "HIV-1 retropepsin (EC 3.4.23.16) - human immunodeficiency virus type 1 (isolate LAV-1a)" . . . . . 97.10 1003 97.76 100.00 5.95e-79 . . . . 5932 1 126 no REF NP_057849 . "Gag-Pol [Human immunodeficiency virus 1]" . . . . . 97.10 1435 100.00 100.00 2.61e-80 . . . . 5932 1 127 no REF NP_705927 . "reverse transcriptase [Human immunodeficiency virus 1]" . . . . . 97.10 560 100.00 100.00 3.54e-84 . . . . 5932 1 128 no REF NP_789740 . "Pol [Human immunodeficiency virus 1]" . . . . . 97.10 995 100.00 100.00 6.05e-81 . . . . 5932 1 129 no REF YP_001856242 . "reverse transcriptase [Human immunodeficiency virus 1]" . . . . . 97.10 560 100.00 100.00 3.54e-84 . . . . 5932 1 130 no SP P03367 . "RecName: Full=Gag-Pol polyprotein; AltName: Full=Pr160Gag-Pol; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: " . . . . . 97.10 1447 97.76 100.00 2.20e-78 . . . . 5932 1 131 no SP P04585 . "RecName: Full=Gag-Pol polyprotein; AltName: Full=Pr160Gag-Pol; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: " . . . . . 97.10 1435 100.00 100.00 2.61e-80 . . . . 5932 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'GC(107-108) - AG' variant 5932 1 hTR-DKC abbreviation 5932 1 'human telomerase RNA P2b loop' common 5932 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 . G . 5932 1 2 . G . 5932 1 3 . C . 5932 1 4 . U . 5932 1 5 . C . 5932 1 6 . U . 5932 1 7 . C . 5932 1 8 . A . 5932 1 9 . G . 5932 1 10 . U . 5932 1 11 . G . 5932 1 12 . A . 5932 1 13 . G . 5932 1 14 . C . 5932 1 15 . C . 5932 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 . G 1 1 5932 1 . G 2 2 5932 1 . C 3 3 5932 1 . U 4 4 5932 1 . C 5 5 5932 1 . U 6 6 5932 1 . C 7 7 5932 1 . A 8 8 5932 1 . G 9 9 5932 1 . U 10 10 5932 1 . G 11 11 5932 1 . A 12 12 5932 1 . G 13 13 5932 1 . C 14 14 5932 1 . C 15 15 5932 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 5932 _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 $hTR-DKC . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5932 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 5932 _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 $hTR-DKC . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . ; DNA was chemically synthesized and then transcribed in vitro using T7 RNA polymerase. ; . . 5932 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5932 _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 'human telomerase RNA P2b loop' . . . 1 $hTR-DKC . . 1 . . mM . . . . 5932 1 2 'sodium phosphate buffer' . . . . . . . 10 . . mM . . . . 5932 1 3 KCl . . . . . . . 200 . . mM . . . . 5932 1 4 EDTA . . . . . . . 50 . . uM . . . . 5932 1 5 'sodium azide' . . . . . . . 0.2 . . % . . . . 5932 1 6 H2O . . . . . . . 95 . . % . . . . 5932 1 7 D2O . . . . . . . 5 . . % . . . . 5932 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5932 _Sample.ID 2 _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 'human telomerase RNA P2b loop' '[U-13C; U-15N]' . . 1 $hTR-DKC . . 1 . . mM . . . . 5932 2 2 'sodium phosphate buffer' . . . . . . . 10 . . mM . . . . 5932 2 3 KCl . . . . . . . 200 . . mM . . . . 5932 2 4 EDTA . . . . . . . 50 . . uM . . . . 5932 2 5 'sodium azide' . . . . . . . 0.2 . . % . . . . 5932 2 6 H2O . . . . . . . 95 . . % . . . . 5932 2 7 D2O . . . . . . . 5 . . % . . . . 5932 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5932 _Sample.ID 3 _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 'human telomerase RNA P2b loop' . . . 1 $hTR-DKC . . 1 . . mM . . . . 5932 3 2 'sodium phosphate buffer' . . . . . . . 10 . . mM . . . . 5932 3 3 KCl . . . . . . . 200 . . mM . . . . 5932 3 4 EDTA . . . . . . . 50 . . uM . . . . 5932 3 5 'sodium azide' . . . . . . . 0.2 . . % . . . . 5932 3 6 D2O . . . . . . . 100 . . % . . . . 5932 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 5932 _Sample.ID 4 _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 'human telomerase RNA P2b loop' '[U-13C; U-15N]' . . 1 $hTR-DKC . . 1 . . mM . . . . 5932 4 2 'sodium phosphate buffer' . . . . . . . 10 . . mM . . . . 5932 4 3 KCl . . . . . . . 200 . . mM . . . . 5932 4 4 EDTA . . . . . . . 50 . . uM . . . . 5932 4 5 'sodium azide' . . . . . . . 0.2 . . % . . . . 5932 4 6 D2O . . . . . . . 100 . . % . . . . 5932 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5932 _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 'ionic strength' 200 . mM 5932 1 pH 6.3 . n/a 5932 1 pressure 1 . atm 5932 1 temperature 283 . K 5932 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 5932 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 5932 1 processing 5932 1 stop_ save_ save_AURELIA _Software.Sf_category software _Software.Sf_framecode AURELIA _Software.Entry_ID 5932 _Software.ID 2 _Software.Name AURELIA _Software.Version 3.108 _Software.Details Brunger loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5932 2 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 5932 _Software.ID 3 _Software.Name X-PLOR _Software.Version 3.851 _Software.Details NIH loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 5932 3 'structure solution' 5932 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5932 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5932 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5932 _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_1 Bruker DRX . 600 . . . 5932 1 2 NMR_spectrometer_2 Bruker DRX . 500 . . . 5932 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 5932 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D NOESY (1,1echo and watergate)' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5932 1 2 '2D 15N-HMQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5932 1 3 '2D 15N-CPMG-NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5932 1 4 '2D JNN-HNN-COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5932 1 5 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5932 1 6 '2D TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5932 1 7 '31P-spin echo difference CT HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5932 1 8 '3D 13C-NOESY HMQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5932 1 9 '2D 13C-HMQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5932 1 10 '2D HCCH COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5932 1 11 '3D HCCH TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5932 1 12 CT-CE-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5932 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5932 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D NOESY (1,1echo and watergate)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5932 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 15N-HMQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5932 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D 15N-CPMG-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5932 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '2D JNN-HNN-COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5932 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '2D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5932 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '2D TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5932 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '31P-spin echo difference CT HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5932 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D 13C-NOESY HMQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5932 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '2D 13C-HMQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5932 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '2D HCCH COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5932 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D HCCH TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5932 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name CT-CE-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5932 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5932 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5932 1 H 2 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.153506088 . . . . . . . . . 5932 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5932 1 P 31 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.404808636 . . . . . . . . . 5932 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5932 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5932 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 G H1 H 1 13.133 0.02 . 1 . . . . . . . . 5932 1 2 . 1 1 1 1 G H8 H 1 8.175 0.02 . 1 . . . . . . . . 5932 1 3 . 1 1 1 1 G C8 C 13 139.072 0.05 . 1 . . . . . . . . 5932 1 4 . 1 1 1 1 G N1 N 15 146.863 0.05 . 1 . . . . . . . . 5932 1 5 . 1 1 1 1 G N7 N 15 231.974 0.05 . 1 . . . . . . . . 5932 1 6 . 1 1 1 1 G N9 N 15 168.181 0.05 . 1 . . . . . . . . 5932 1 7 . 1 1 1 1 G H1' H 1 5.843 0.02 . 1 . . . . . . . . 5932 1 8 . 1 1 1 1 G H2' H 1 4.962 0.02 . 1 . . . . . . . . 5932 1 9 . 1 1 1 1 G H3' H 1 4.754 0.02 . 1 . . . . . . . . 5932 1 10 . 1 1 1 1 G H4' H 1 4.587 0.02 . 1 . . . . . . . . 5932 1 11 . 1 1 1 1 G H5' H 1 4.459 0.02 . 2 . . . . . . . . 5932 1 12 . 1 1 1 1 G H5'' H 1 4.313 0.02 . 2 . . . . . . . . 5932 1 13 . 1 1 1 1 G C1' C 13 89.230 0.05 . 1 . . . . . . . . 5932 1 14 . 1 1 1 1 G C2' C 13 72.317 0.05 . 1 . . . . . . . . 5932 1 15 . 1 1 1 1 G C3' C 13 72.159 0.05 . 1 . . . . . . . . 5932 1 16 . 1 1 1 1 G C4' C 13 80.977 0.05 . 1 . . . . . . . . 5932 1 17 . 1 1 1 1 G C5' C 13 64.698 0.05 . 1 . . . . . . . . 5932 1 18 . 1 1 2 2 G H1 H 1 13.718 0.02 . 1 . . . . . . . . 5932 1 19 . 1 1 2 2 G H8 H 1 7.686 0.02 . 1 . . . . . . . . 5932 1 20 . 1 1 2 2 G C8 C 13 136.816 0.05 . 1 . . . . . . . . 5932 1 21 . 1 1 2 2 G N1 N 15 148.132 0.05 . 1 . . . . . . . . 5932 1 22 . 1 1 2 2 G N7 N 15 232.822 0.05 . 1 . . . . . . . . 5932 1 23 . 1 1 2 2 G N9 N 15 168.834 0.05 . 1 . . . . . . . . 5932 1 24 . 1 1 2 2 G H1' H 1 5.952 0.02 . 1 . . . . . . . . 5932 1 25 . 1 1 2 2 G H2' H 1 4.619 0.02 . 1 . . . . . . . . 5932 1 26 . 1 1 2 2 G H3' H 1 4.630 0.02 . 1 . . . . . . . . 5932 1 27 . 1 1 2 2 G H4' H 1 4.575 0.02 . 1 . . . . . . . . 5932 1 28 . 1 1 2 2 G H5' H 1 4.285 0.02 . 2 . . . . . . . . 5932 1 29 . 1 1 2 2 G H5'' H 1 4.564 0.02 . 2 . . . . . . . . 5932 1 30 . 1 1 2 2 G C1' C 13 90.541 0.05 . 1 . . . . . . . . 5932 1 31 . 1 1 2 2 G C2' C 13 72.906 0.05 . 1 . . . . . . . . 5932 1 32 . 1 1 2 2 G C3' C 13 70.253 0.05 . 1 . . . . . . . . 5932 1 33 . 1 1 2 2 G C4' C 13 80.013 0.05 . 1 . . . . . . . . 5932 1 34 . 1 1 2 2 G C5' C 13 63.287 0.05 . 1 . . . . . . . . 5932 1 35 . 1 1 3 3 C H41 H 1 8.964 0.02 . 1 . . . . . . . . 5932 1 36 . 1 1 3 3 C H42 H 1 7.295 0.02 . 1 . . . . . . . . 5932 1 37 . 1 1 3 3 C H5 H 1 5.308 0.02 . 1 . . . . . . . . 5932 1 38 . 1 1 3 3 C H6 H 1 7.758 0.02 . 1 . . . . . . . . 5932 1 39 . 1 1 3 3 C C5 C 13 97.091 0.05 . 1 . . . . . . . . 5932 1 40 . 1 1 3 3 C C6 C 13 141.055 0.05 . 1 . . . . . . . . 5932 1 41 . 1 1 3 3 C N4 N 15 98.746 0.05 . 1 . . . . . . . . 5932 1 42 . 1 1 3 3 C H1' H 1 5.597 0.02 . 1 . . . . . . . . 5932 1 43 . 1 1 3 3 C H2' H 1 4.435 0.02 . 1 . . . . . . . . 5932 1 44 . 1 1 3 3 C H3' H 1 4.496 0.02 . 1 . . . . . . . . 5932 1 45 . 1 1 3 3 C H4' H 1 4.475 0.02 . 1 . . . . . . . . 5932 1 46 . 1 1 3 3 C H5' H 1 4.123 0.02 . 2 . . . . . . . . 5932 1 47 . 1 1 3 3 C H5'' H 1 4.600 0.02 . 2 . . . . . . . . 5932 1 48 . 1 1 3 3 C C1' C 13 91.511 0.05 . 1 . . . . . . . . 5932 1 49 . 1 1 3 3 C C2' C 13 73.012 0.05 . 1 . . . . . . . . 5932 1 50 . 1 1 3 3 C C3' C 13 69.601 0.05 . 1 . . . . . . . . 5932 1 51 . 1 1 3 3 C C4' C 13 79.498 0.05 . 1 . . . . . . . . 5932 1 52 . 1 1 3 3 C C5' C 13 61.992 0.05 . 1 . . . . . . . . 5932 1 53 . 1 1 4 4 U H3 H 1 14.365 0.02 . 1 . . . . . . . . 5932 1 54 . 1 1 4 4 U H5 H 1 5.467 0.02 . 1 . . . . . . . . 5932 1 55 . 1 1 4 4 U H6 H 1 7.920 0.02 . 1 . . . . . . . . 5932 1 56 . 1 1 4 4 U C5 C 13 103.381 0.05 . 1 . . . . . . . . 5932 1 57 . 1 1 4 4 U C6 C 13 142.080 0.05 . 1 . . . . . . . . 5932 1 58 . 1 1 4 4 U N3 N 15 162.124 0.05 . 1 . . . . . . . . 5932 1 59 . 1 1 4 4 U H1' H 1 5.616 0.02 . 1 . . . . . . . . 5932 1 60 . 1 1 4 4 U H2' H 1 4.628 0.02 . 1 . . . . . . . . 5932 1 61 . 1 1 4 4 U H3' H 1 4.518 0.02 . 1 . . . . . . . . 5932 1 62 . 1 1 4 4 U H4' H 1 4.459 0.02 . 1 . . . . . . . . 5932 1 63 . 1 1 4 4 U H5' H 1 4.116 0.02 . 2 . . . . . . . . 5932 1 64 . 1 1 4 4 U H5'' H 1 4.586 0.02 . 2 . . . . . . . . 5932 1 65 . 1 1 4 4 U C1' C 13 91.249 0.05 . 1 . . . . . . . . 5932 1 66 . 1 1 4 4 U C2' C 13 72.908 0.05 . 1 . . . . . . . . 5932 1 67 . 1 1 4 4 U C3' C 13 69.606 0.05 . 1 . . . . . . . . 5932 1 68 . 1 1 4 4 U C4' C 13 79.591 0.05 . 1 . . . . . . . . 5932 1 69 . 1 1 4 4 U C5' C 13 62.014 0.05 . 1 . . . . . . . . 5932 1 70 . 1 1 5 5 C H41 H 1 8.512 0.02 . 1 . . . . . . . . 5932 1 71 . 1 1 5 5 C H42 H 1 7.279 0.02 . 1 . . . . . . . . 5932 1 72 . 1 1 5 5 C H5 H 1 5.581 0.02 . 1 . . . . . . . . 5932 1 73 . 1 1 5 5 C H6 H 1 7.665 0.02 . 1 . . . . . . . . 5932 1 74 . 1 1 5 5 C C5 C 13 97.707 0.05 . 1 . . . . . . . . 5932 1 75 . 1 1 5 5 C C6 C 13 141.328 0.05 . 1 . . . . . . . . 5932 1 76 . 1 1 5 5 C N4 N 15 96.949 0.05 . 1 . . . . . . . . 5932 1 77 . 1 1 5 5 C H1' H 1 5.506 0.02 . 1 . . . . . . . . 5932 1 78 . 1 1 5 5 C H2' H 1 4.556 0.02 . 1 . . . . . . . . 5932 1 79 . 1 1 5 5 C H3' H 1 4.215 0.02 . 1 . . . . . . . . 5932 1 80 . 1 1 5 5 C H4' H 1 4.470 0.02 . 1 . . . . . . . . 5932 1 81 . 1 1 5 5 C H5' H 1 4.103 0.02 . 2 . . . . . . . . 5932 1 82 . 1 1 5 5 C H5'' H 1 4.499 0.02 . 2 . . . . . . . . 5932 1 83 . 1 1 5 5 C C1' C 13 91.770 0.05 . 1 . . . . . . . . 5932 1 84 . 1 1 5 5 C C2' C 13 73.016 0.05 . 1 . . . . . . . . 5932 1 85 . 1 1 5 5 C C3' C 13 70.165 0.05 . 1 . . . . . . . . 5932 1 86 . 1 1 5 5 C C4' C 13 79.662 0.05 . 1 . . . . . . . . 5932 1 87 . 1 1 5 5 C C5' C 13 62.856 0.05 . 1 . . . . . . . . 5932 1 88 . 1 1 6 6 U H5 H 1 5.676 0.02 . 1 . . . . . . . . 5932 1 89 . 1 1 6 6 U H6 H 1 7.866 0.02 . 1 . . . . . . . . 5932 1 90 . 1 1 6 6 U C5 C 13 105.091 0.05 . 1 . . . . . . . . 5932 1 91 . 1 1 6 6 U C6 C 13 141.055 0.05 . 1 . . . . . . . . 5932 1 92 . 1 1 6 6 U H1' H 1 5.467 0.02 . 1 . . . . . . . . 5932 1 93 . 1 1 6 6 U H2' H 1 4.270 0.02 . 1 . . . . . . . . 5932 1 94 . 1 1 6 6 U H3' H 1 4.580 0.02 . 1 . . . . . . . . 5932 1 95 . 1 1 6 6 U H4' H 1 4.344 0.02 . 1 . . . . . . . . 5932 1 96 . 1 1 6 6 U H5' H 1 4.102 0.02 . 2 . . . . . . . . 5932 1 97 . 1 1 6 6 U H5'' H 1 4.438 0.02 . 2 . . . . . . . . 5932 1 98 . 1 1 6 6 U C1' C 13 91.503 0.05 . 1 . . . . . . . . 5932 1 99 . 1 1 6 6 U C2' C 13 73.352 0.05 . 1 . . . . . . . . 5932 1 100 . 1 1 6 6 U C3' C 13 70.722 0.05 . 1 . . . . . . . . 5932 1 101 . 1 1 6 6 U C4' C 13 80.597 0.05 . 1 . . . . . . . . 5932 1 102 . 1 1 6 6 U C5' C 13 62.238 0.05 . 1 . . . . . . . . 5932 1 103 . 1 1 7 7 C H41 H 1 7.456 0.02 . 2 . . . . . . . . 5932 1 104 . 1 1 7 7 C H42 H 1 6.891 0.02 . 2 . . . . . . . . 5932 1 105 . 1 1 7 7 C H5 H 1 5.948 0.02 . 1 . . . . . . . . 5932 1 106 . 1 1 7 7 C H6 H 1 7.923 0.02 . 1 . . . . . . . . 5932 1 107 . 1 1 7 7 C C5 C 13 98.937 0.05 . 1 . . . . . . . . 5932 1 108 . 1 1 7 7 C C6 C 13 143.858 0.05 . 1 . . . . . . . . 5932 1 109 . 1 1 7 7 C N4 N 15 93.904 0.05 . 1 . . . . . . . . 5932 1 110 . 1 1 7 7 C H1' H 1 5.892 0.02 . 1 . . . . . . . . 5932 1 111 . 1 1 7 7 C H2' H 1 4.448 0.02 . 1 . . . . . . . . 5932 1 112 . 1 1 7 7 C H3' H 1 4.420 0.02 . 1 . . . . . . . . 5932 1 113 . 1 1 7 7 C H4' H 1 4.280 0.02 . 1 . . . . . . . . 5932 1 114 . 1 1 7 7 C H5' H 1 4.052 0.02 . 2 . . . . . . . . 5932 1 115 . 1 1 7 7 C H5'' H 1 4.182 0.02 . 2 . . . . . . . . 5932 1 116 . 1 1 7 7 C C1' C 13 88.481 0.05 . 1 . . . . . . . . 5932 1 117 . 1 1 7 7 C C2' C 13 72.849 0.05 . 1 . . . . . . . . 5932 1 118 . 1 1 7 7 C C3' C 13 74.278 0.05 . 1 . . . . . . . . 5932 1 119 . 1 1 7 7 C C4' C 13 82.317 0.05 . 1 . . . . . . . . 5932 1 120 . 1 1 7 7 C C5' C 13 64.272 0.05 . 1 . . . . . . . . 5932 1 121 . 1 1 8 8 A H2 H 1 8.038 0.02 . 1 . . . . . . . . 5932 1 122 . 1 1 8 8 A H61 H 1 7.156 0.02 . 2 . . . . . . . . 5932 1 123 . 1 1 8 8 A H62 H 1 7.156 0.02 . 2 . . . . . . . . 5932 1 124 . 1 1 8 8 A H8 H 1 8.150 0.02 . 1 . . . . . . . . 5932 1 125 . 1 1 8 8 A C2 C 13 155.276 0.05 . 1 . . . . . . . . 5932 1 126 . 1 1 8 8 A C8 C 13 141.465 0.05 . 1 . . . . . . . . 5932 1 127 . 1 1 8 8 A N6 N 15 78.962 0.05 . 1 . . . . . . . . 5932 1 128 . 1 1 8 8 A N7 N 15 235.224 0.05 . 1 . . . . . . . . 5932 1 129 . 1 1 8 8 A N9 N 15 168.667 0.05 . 1 . . . . . . . . 5932 1 130 . 1 1 8 8 A H1' H 1 5.823 0.02 . 1 . . . . . . . . 5932 1 131 . 1 1 8 8 A H2' H 1 4.454 0.02 . 1 . . . . . . . . 5932 1 132 . 1 1 8 8 A H3' H 1 4.626 0.02 . 1 . . . . . . . . 5932 1 133 . 1 1 8 8 A H4' H 1 4.084 0.02 . 1 . . . . . . . . 5932 1 134 . 1 1 8 8 A H5' H 1 3.832 0.02 . 2 . . . . . . . . 5932 1 135 . 1 1 8 8 A H5'' H 1 3.514 0.02 . 2 . . . . . . . . 5932 1 136 . 1 1 8 8 A C1' C 13 87.463 0.05 . 1 . . . . . . . . 5932 1 137 . 1 1 8 8 A C2' C 13 75.682 0.05 . 1 . . . . . . . . 5932 1 138 . 1 1 8 8 A C3' C 13 76.425 0.05 . 1 . . . . . . . . 5932 1 139 . 1 1 8 8 A C4' C 13 83.028 0.05 . 1 . . . . . . . . 5932 1 140 . 1 1 8 8 A C5' C 13 65.103 0.05 . 1 . . . . . . . . 5932 1 141 . 1 1 9 9 G H21 H 1 6.499 0.02 . 2 . . . . . . . . 5932 1 142 . 1 1 9 9 G H22 H 1 6.499 0.02 . 2 . . . . . . . . 5932 1 143 . 1 1 9 9 G H8 H 1 7.939 0.02 . 1 . . . . . . . . 5932 1 144 . 1 1 9 9 G C8 C 13 141.738 0.05 . 1 . . . . . . . . 5932 1 145 . 1 1 9 9 G N2 N 15 74.408 0.05 . 1 . . . . . . . . 5932 1 146 . 1 1 9 9 G N7 N 15 233.175 0.05 . 1 . . . . . . . . 5932 1 147 . 1 1 9 9 G N9 N 15 168.653 0.05 . 1 . . . . . . . . 5932 1 148 . 1 1 9 9 G H1' H 1 5.920 0.02 . 1 . . . . . . . . 5932 1 149 . 1 1 9 9 G H2' H 1 5.026 0.02 . 1 . . . . . . . . 5932 1 150 . 1 1 9 9 G H3' H 1 5.133 0.02 . 1 . . . . . . . . 5932 1 151 . 1 1 9 9 G H4' H 1 4.459 0.02 . 1 . . . . . . . . 5932 1 152 . 1 1 9 9 G H5' H 1 4.123 0.02 . 2 . . . . . . . . 5932 1 153 . 1 1 9 9 G H5'' H 1 4.286 0.02 . 2 . . . . . . . . 5932 1 154 . 1 1 9 9 G C1' C 13 89.475 0.05 . 1 . . . . . . . . 5932 1 155 . 1 1 9 9 G C2' C 13 72.570 0.05 . 1 . . . . . . . . 5932 1 156 . 1 1 9 9 G C3' C 13 74.660 0.05 . 1 . . . . . . . . 5932 1 157 . 1 1 9 9 G C4' C 13 82.285 0.05 . 1 . . . . . . . . 5932 1 158 . 1 1 9 9 G C5' C 13 65.949 0.05 . 1 . . . . . . . . 5932 1 159 . 1 1 10 10 U H5 H 1 5.961 0.02 . 1 . . . . . . . . 5932 1 160 . 1 1 10 10 U H6 H 1 7.938 0.02 . 1 . . . . . . . . 5932 1 161 . 1 1 10 10 U C5 C 13 105.228 0.05 . 1 . . . . . . . . 5932 1 162 . 1 1 10 10 U C6 C 13 143.995 0.05 . 1 . . . . . . . . 5932 1 163 . 1 1 10 10 U H1' H 1 6.003 0.02 . 1 . . . . . . . . 5932 1 164 . 1 1 10 10 U H2' H 1 4.551 0.02 . 1 . . . . . . . . 5932 1 165 . 1 1 10 10 U H3' H 1 4.775 0.02 . 1 . . . . . . . . 5932 1 166 . 1 1 10 10 U H4' H 1 4.625 0.02 . 1 . . . . . . . . 5932 1 167 . 1 1 10 10 U H5' H 1 4.388 0.02 . 2 . . . . . . . . 5932 1 168 . 1 1 10 10 U H5'' H 1 4.254 0.02 . 2 . . . . . . . . 5932 1 169 . 1 1 10 10 U C1' C 13 88.689 0.05 . 1 . . . . . . . . 5932 1 170 . 1 1 10 10 U C2' C 13 73.009 0.05 . 1 . . . . . . . . 5932 1 171 . 1 1 10 10 U C3' C 13 73.307 0.05 . 1 . . . . . . . . 5932 1 172 . 1 1 10 10 U C4' C 13 82.095 0.05 . 1 . . . . . . . . 5932 1 173 . 1 1 10 10 U C5' C 13 64.947 0.05 . 1 . . . . . . . . 5932 1 174 . 1 1 11 11 G H1 H 1 12.600 0.02 . 1 . . . . . . . . 5932 1 175 . 1 1 11 11 G H21 H 1 8.278 0.02 . 1 . . . . . . . . 5932 1 176 . 1 1 11 11 G H22 H 1 6.383 0.02 . 1 . . . . . . . . 5932 1 177 . 1 1 11 11 G H8 H 1 7.631 0.02 . 1 . . . . . . . . 5932 1 178 . 1 1 11 11 G C8 C 13 137.431 0.05 . 1 . . . . . . . . 5932 1 179 . 1 1 11 11 G N1 N 15 147.014 0.05 . 1 . . . . . . . . 5932 1 180 . 1 1 11 11 G N2 N 15 74.285 0.05 . 1 . . . . . . . . 5932 1 181 . 1 1 11 11 G N7 N 15 233.671 0.05 . 1 . . . . . . . . 5932 1 182 . 1 1 11 11 G N9 N 15 168.389 0.05 . 1 . . . . . . . . 5932 1 183 . 1 1 11 11 G H1' H 1 5.052 0.02 . 1 . . . . . . . . 5932 1 184 . 1 1 11 11 G H2' H 1 4.623 0.02 . 1 . . . . . . . . 5932 1 185 . 1 1 11 11 G H3' H 1 4.513 0.02 . 1 . . . . . . . . 5932 1 186 . 1 1 11 11 G H4' H 1 4.421 0.02 . 1 . . . . . . . . 5932 1 187 . 1 1 11 11 G H5' H 1 4.181 0.02 . 2 . . . . . . . . 5932 1 188 . 1 1 11 11 G H5'' H 1 4.407 0.02 . 2 . . . . . . . . 5932 1 189 . 1 1 11 11 G C1' C 13 90.663 0.05 . 1 . . . . . . . . 5932 1 190 . 1 1 11 11 G C2' C 13 72.740 0.05 . 1 . . . . . . . . 5932 1 191 . 1 1 11 11 G C3' C 13 71.040 0.05 . 1 . . . . . . . . 5932 1 192 . 1 1 11 11 G C4' C 13 80.205 0.05 . 1 . . . . . . . . 5932 1 193 . 1 1 11 11 G C5' C 13 64.270 0.05 . 1 . . . . . . . . 5932 1 194 . 1 1 12 12 A H2 H 1 7.482 0.02 . 1 . . . . . . . . 5932 1 195 . 1 1 12 12 A H8 H 1 7.830 0.02 . 1 . . . . . . . . 5932 1 196 . 1 1 12 12 A C2 C 13 153.293 0.05 . 1 . . . . . . . . 5932 1 197 . 1 1 12 12 A C8 C 13 139.687 0.05 . 1 . . . . . . . . 5932 1 198 . 1 1 12 12 A N1 N 15 220.578 0.05 . 1 . . . . . . . . 5932 1 199 . 1 1 12 12 A N3 N 15 211.547 0.05 . 1 . . . . . . . . 5932 1 200 . 1 1 12 12 A N6 N 15 82.490 0.05 . 1 . . . . . . . . 5932 1 201 . 1 1 12 12 A N7 N 15 228.513 0.05 . 1 . . . . . . . . 5932 1 202 . 1 1 12 12 A N9 N 15 169.931 0.05 . 1 . . . . . . . . 5932 1 203 . 1 1 12 12 A H1' H 1 6.002 0.02 . 1 . . . . . . . . 5932 1 204 . 1 1 12 12 A H2' H 1 4.751 0.02 . 1 . . . . . . . . 5932 1 205 . 1 1 12 12 A H3' H 1 4.709 0.02 . 1 . . . . . . . . 5932 1 206 . 1 1 12 12 A H4' H 1 4.544 0.02 . 1 . . . . . . . . 5932 1 207 . 1 1 12 12 A H5' H 1 4.566 0.02 . 2 . . . . . . . . 5932 1 208 . 1 1 12 12 A H5'' H 1 4.167 0.02 . 2 . . . . . . . . 5932 1 209 . 1 1 12 12 A C1' C 13 90.597 0.05 . 1 . . . . . . . . 5932 1 210 . 1 1 12 12 A C2' C 13 73.307 0.05 . 1 . . . . . . . . 5932 1 211 . 1 1 12 12 A C3' C 13 70.191 0.05 . 1 . . . . . . . . 5932 1 212 . 1 1 12 12 A C4' C 13 79.634 0.05 . 1 . . . . . . . . 5932 1 213 . 1 1 12 12 A C5' C 13 62.757 0.05 . 1 . . . . . . . . 5932 1 214 . 1 1 13 13 G H1 H 1 13.730 0.02 . 1 . . . . . . . . 5932 1 215 . 1 1 13 13 G H8 H 1 7.254 0.02 . 1 . . . . . . . . 5932 1 216 . 1 1 13 13 G C8 C 13 135.653 0.05 . 1 . . . . . . . . 5932 1 217 . 1 1 13 13 G N1 N 15 148.072 0.05 . 1 . . . . . . . . 5932 1 218 . 1 1 13 13 G N2 N 15 74.626 0.05 . 1 . . . . . . . . 5932 1 219 . 1 1 13 13 G N7 N 15 233.599 0.05 . 1 . . . . . . . . 5932 1 220 . 1 1 13 13 G N9 N 15 168.639 0.05 . 1 . . . . . . . . 5932 1 221 . 1 1 13 13 G H1' H 1 5.704 0.02 . 1 . . . . . . . . 5932 1 222 . 1 1 13 13 G H2' H 1 4.485 0.02 . 1 . . . . . . . . 5932 1 223 . 1 1 13 13 G H3' H 1 4.469 0.02 . 1 . . . . . . . . 5932 1 224 . 1 1 13 13 G H4' H 1 4.492 0.02 . 1 . . . . . . . . 5932 1 225 . 1 1 13 13 G H5' H 1 4.085 0.02 . 2 . . . . . . . . 5932 1 226 . 1 1 13 13 G H5'' H 1 4.503 0.02 . 2 . . . . . . . . 5932 1 227 . 1 1 13 13 G C1' C 13 90.264 0.05 . 1 . . . . . . . . 5932 1 228 . 1 1 13 13 G C2' C 13 72.894 0.05 . 1 . . . . . . . . 5932 1 229 . 1 1 13 13 G C3' C 13 70.192 0.05 . 1 . . . . . . . . 5932 1 230 . 1 1 13 13 G C4' C 13 79.481 0.05 . 1 . . . . . . . . 5932 1 231 . 1 1 13 13 G C5' C 13 63.031 0.05 . 1 . . . . . . . . 5932 1 232 . 1 1 14 14 C H41 H 1 8.902 0.02 . 1 . . . . . . . . 5932 1 233 . 1 1 14 14 C H42 H 1 7.249 0.02 . 1 . . . . . . . . 5932 1 234 . 1 1 14 14 C H5 H 1 5.211 0.02 . 1 . . . . . . . . 5932 1 235 . 1 1 14 14 C H6 H 1 7.630 0.02 . 1 . . . . . . . . 5932 1 236 . 1 1 14 14 C C5 C 13 97.023 0.05 . 1 . . . . . . . . 5932 1 237 . 1 1 14 14 C C6 C 13 140.918 0.05 . 1 . . . . . . . . 5932 1 238 . 1 1 14 14 C N4 N 15 98.760 0.05 . 1 . . . . . . . . 5932 1 239 . 1 1 14 14 C H1' H 1 5.554 0.02 . 1 . . . . . . . . 5932 1 240 . 1 1 14 14 C H2' H 1 4.302 0.02 . 1 . . . . . . . . 5932 1 241 . 1 1 14 14 C H3' H 1 4.433 0.02 . 1 . . . . . . . . 5932 1 242 . 1 1 14 14 C H4' H 1 4.422 0.02 . 1 . . . . . . . . 5932 1 243 . 1 1 14 14 C H5' H 1 4.061 0.02 . 2 . . . . . . . . 5932 1 244 . 1 1 14 14 C H5'' H 1 4.553 0.02 . 2 . . . . . . . . 5932 1 245 . 1 1 14 14 C C1' C 13 91.626 0.05 . 1 . . . . . . . . 5932 1 246 . 1 1 14 14 C C2' C 13 72.155 0.05 . 1 . . . . . . . . 5932 1 247 . 1 1 14 14 C C3' C 13 69.350 0.05 . 1 . . . . . . . . 5932 1 248 . 1 1 14 14 C C4' C 13 79.462 0.05 . 1 . . . . . . . . 5932 1 249 . 1 1 14 14 C C5' C 13 61.938 0.05 . 1 . . . . . . . . 5932 1 250 . 1 1 15 15 C H41 H 1 8.712 0.02 . 1 . . . . . . . . 5932 1 251 . 1 1 15 15 C H42 H 1 7.314 0.02 . 1 . . . . . . . . 5932 1 252 . 1 1 15 15 C H5 H 1 5.550 0.02 . 1 . . . . . . . . 5932 1 253 . 1 1 15 15 C H6 H 1 7.689 0.02 . 1 . . . . . . . . 5932 1 254 . 1 1 15 15 C C5 C 13 98.254 0.05 . 1 . . . . . . . . 5932 1 255 . 1 1 15 15 C C6 C 13 141.602 0.05 . 1 . . . . . . . . 5932 1 256 . 1 1 15 15 C N4 N 15 96.949 0.05 . 1 . . . . . . . . 5932 1 257 . 1 1 15 15 C H1' H 1 5.792 0.02 . 1 . . . . . . . . 5932 1 258 . 1 1 15 15 C H2' H 1 4.036 0.02 . 1 . . . . . . . . 5932 1 259 . 1 1 15 15 C H3' H 1 4.190 0.02 . 1 . . . . . . . . 5932 1 260 . 1 1 15 15 C H4' H 1 4.188 0.02 . 1 . . . . . . . . 5932 1 261 . 1 1 15 15 C H5' H 1 4.049 0.02 . 2 . . . . . . . . 5932 1 262 . 1 1 15 15 C H5'' H 1 4.503 0.02 . 2 . . . . . . . . 5932 1 263 . 1 1 15 15 C C1' C 13 90.599 0.05 . 1 . . . . . . . . 5932 1 264 . 1 1 15 15 C C2' C 13 75.059 0.05 . 1 . . . . . . . . 5932 1 265 . 1 1 15 15 C C3' C 13 67.062 0.05 . 1 . . . . . . . . 5932 1 266 . 1 1 15 15 C C4' C 13 80.904 0.05 . 1 . . . . . . . . 5932 1 267 . 1 1 15 15 C C5' C 13 62.533 0.05 . 1 . . . . . . . . 5932 1 stop_ save_