data_5932 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; YNMG tetraloop formation by a dyskeratosis congenita mutation in human telomerase RNA ; _BMRB_accession_number 5932 _BMRB_flat_file_name bmr5932.str _Entry_type original _Submission_date 2003-09-04 _Accession_date 2003-09-04 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Theimer C. A. . 2 Finger L. D. . 3 Feigon J. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 136 "13C chemical shifts" 100 "15N chemical shifts" 31 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-12-19 original author . stop_ _Original_release_date 2003-12-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; YNMG tetraloop formation by a dyskeratosis congenita mutation in human telomerase RNA ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 14624001 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Theimer C. A. . 2 Finger L. D. . 3 Feigon J. . . stop_ _Journal_abbreviation RNA _Journal_volume 9 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1446 _Page_last 1455 _Year 2003 _Details . loop_ _Keyword PENTALOOP TETRALOOP UUCG YNMG stop_ save_ ################################## # Molecular system description # ################################## save_system_hTR-DKC _Saveframe_category molecular_system _Mol_system_name 'DKC mutant P2b telomerase RNA' _Abbreviation_common hTR-DKC _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label dcloop $hTR-DKC stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_hTR-DKC _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common 'human telomerase RNA P2b loop' _Name_variant 'GC(107-108) - AG' _Abbreviation_common hTR-DKC _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 15 _Mol_residue_sequence GGCUCUCAGUGAGCC loop_ _Residue_seq_code _Residue_label 1 G 2 G 3 C 4 U 5 C 6 U 7 C 8 A 9 G 10 U 11 G 12 A 13 G 14 C 15 C stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 4093 RNase_H-HIV-1 100.00 138 99.28 99.28 2.88e-91 BMRB 5347 RNase_H_domain 100.00 138 100.00 100.00 9.03e-93 BMRB 5931 Rnase_H 100.00 138 100.00 100.00 9.03e-93 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 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 PDB 1C1B "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Gca- 186" 97.10 560 100.00 100.00 3.57e-84 PDB 1C1C "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Tnk- 6123" 97.10 560 100.00 100.00 3.57e-84 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 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 PDB 1EP4 "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With S- 1153" 97.10 560 100.00 100.00 3.57e-84 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 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 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 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 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 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 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 PDB 1JLE "Crystal Structure Of Y188c Mutant Hiv-1 Reverse Transcriptase" 97.10 560 100.00 100.00 3.35e-84 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 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 PDB 1JLQ "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With 739w94" 97.10 560 100.00 100.00 3.57e-84 PDB 1KLM "Hiv-1 Reverse Transcriptase Complexed With Bhap U-90152" 97.10 560 100.00 100.00 3.57e-84 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 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 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 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 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 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 PDB 1REV "Hiv-1 Reverse Transcriptase" 97.10 560 100.00 100.00 3.57e-84 PDB 1RT1 "Crystal Structure Of Hiv-1 Reverse Transcriptase Complexed With Mkc-442" 97.10 560 100.00 100.00 3.57e-84 PDB 1RT2 "Crystal Structure Of Hiv-1 Reverse Transcriptase Complexed With Tnk-651" 97.10 560 100.00 100.00 3.57e-84 PDB 1RT3 "Azt Drug Resistant Hiv-1 Reverse Transcriptase Complexed With 1051u91" 97.10 560 100.00 100.00 3.50e-84 PDB 1RT4 "Hiv-1 Reverse Transcriptase Complexed With Uc781" 97.10 560 100.00 100.00 3.57e-84 PDB 1RT5 "Hiv-1 Reverse Transcriptase Complexed With Uc10" 97.10 560 100.00 100.00 3.57e-84 PDB 1RT6 "Hiv-1 Reverse Transcriptase Complexed With Uc38" 97.10 560 100.00 100.00 3.57e-84 PDB 1RT7 "Hiv-1 Reverse Transcriptase Complexed With Uc84" 97.10 560 100.00 100.00 3.57e-84 PDB 1RTH "High Resolution Structures Of Hiv-1 Rt From Four Rt- Inhibitor Complexes" 97.10 560 100.00 100.00 3.57e-84 PDB 1RTI "High Resolution Structures Of Hiv-1 Rt From Four Rt- Inhibitor Complexes" 97.10 560 100.00 100.00 3.57e-84 PDB 1RTJ "Mechanism Of Inhibition Of Hiv-1 Reverse Transcriptase By Non-Nucleoside Inhibitors" 97.10 560 100.00 100.00 3.57e-84 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 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 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 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 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 PDB 1TKT "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Gw426318" 97.10 560 100.00 100.00 3.57e-84 PDB 1TKX "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Gw490745" 97.10 560 100.00 100.00 3.57e-84 PDB 1TKZ "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Gw429576" 97.10 560 100.00 100.00 3.57e-84 PDB 1TL1 "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Gw451211" 97.10 560 100.00 100.00 3.57e-84 PDB 1TL3 "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Gw450557" 97.10 560 100.00 100.00 3.57e-84 PDB 1VRT "High Resolution Structures Of Hiv-1 Rt From Four Rt- Inhibitor Complexes" 97.10 560 100.00 100.00 3.57e-84 PDB 1VRU "High Resolution Structures Of Hiv-1 Rt From Four Rt- Inhibitor Complexes" 97.10 560 100.00 100.00 3.57e-84 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 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 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 PDB 2JLE "Novel Indazole Nnrtis Created Using Molecular Template Hybridization Based On Crystallographic Overlays" 97.10 566 100.00 100.00 4.68e-84 PDB 2OPP "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Gw420867x" 86.96 542 99.17 99.17 7.60e-74 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 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 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 PDB 2RF2 "Hiv Reverse Transcriptase In Complex With Inhibitor 7e (Nnrti)" 97.10 563 100.00 100.00 3.67e-84 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 PDB 2WOM "Crystal Structure Of Uk-453061 Bound To Hiv-1 Reverse Transcriptase (k103n)" 97.10 560 100.00 100.00 3.57e-84 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 PDB 2YNF "Hiv-1 Reverse Transcriptase Y188l Mutant In Complex With Inhibitor Gsk560" 97.10 563 100.00 100.00 3.45e-84 PDB 2YNG "Hiv-1 Reverse Transcriptase In Complex With Inhibitor Gsk560" 97.10 563 100.00 100.00 3.67e-84 PDB 2YNH "Hiv-1 Reverse Transcriptase In Complex With Inhibitor Gsk500" 97.10 563 100.00 100.00 3.67e-84 PDB 2YNI "Hiv-1 Reverse Transcriptase In Complex With Inhibitor Gsk952" 97.10 563 100.00 100.00 3.67e-84 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 PDB 3C6T "Crystal Structure Of Hiv Reverse Transcriptase In Complex With Inhibitor 14" 97.10 563 100.00 100.00 3.67e-84 PDB 3C6U "Crystal Structure Of Hiv Reverse Transcriptase In Complex With Inhibitor 22" 97.10 563 100.00 100.00 3.67e-84 PDB 3DI6 "Hiv-1 Rt With Pyridazinone Non-Nucleoside Inhibitor" 97.10 561 100.00 100.00 3.58e-84 PDB 3DLE "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Gf128590." 97.10 560 100.00 100.00 3.57e-84 PDB 3DLG "Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With Gw564511." 97.10 560 100.00 100.00 3.57e-84 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 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 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 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 PDB 3DRP "Hiv Reverse Transcriptase In Complex With Inhibitor R8e" 97.10 563 100.00 100.00 3.67e-84 PDB 3DRR "Hiv Reverse Transcriptase Y181c Mutant In Complex With Inhibitor R8e" 97.10 563 100.00 100.00 3.41e-84 PDB 3DRS "Hiv Reverse Transcriptase K103n Mutant In Complex With Inhibitor R8d" 97.10 563 100.00 100.00 3.48e-84 PDB 3DYA "Hiv-1 Rt With Non-Nucleoside Inhibitor Annulated Pyrazole 1" 97.10 561 100.00 100.00 3.58e-84 PDB 3E01 "Hiv-Rt With Non-Nucleoside Inhibitor Annulated Pyrazole 2" 97.10 561 100.00 100.00 3.58e-84 PDB 3FFI "Hiv-1 Rt With Pyridone Non-Nucleoside Inhibitor" 97.10 561 100.00 100.00 3.29e-84 PDB 3I0R "Crystal Structure Of Hiv Reverse Transcriptase In Complex With Inhibitor 3" 97.10 563 100.00 100.00 3.67e-84 PDB 3I0S "Crystal Structure Of Hiv Reverse Transcriptase In Complex With Inhibitor 7" 97.10 563 100.00 100.00 3.67e-84 PDB 3KJV "Hiv-1 Reverse Transcriptase In Complex With Dna" 97.10 560 100.00 100.00 3.54e-84 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 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 PDB 3KK3 "Hiv-1 Reverse Transcriptase-Dna Complex With Gs-9148 Terminated Primer" 97.10 560 100.00 100.00 3.54e-84 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 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 PDB 3KLI "Crystal Structure Of Unliganded Azt-Resistant Hiv-1 Reverse Transcriptase" 97.10 562 97.01 99.25 1.53e-81 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 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 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 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 PDB 3LP0 "Hiv-1 Reverse Transcriptase With Inhibitor" 97.10 563 100.00 100.00 3.48e-84 PDB 3LP1 "Hiv-1 Reverse Transcriptase With Inhibitor" 97.10 563 100.00 100.00 3.48e-84 PDB 3LP2 "Hiv-1 Reverse Transcriptase With Inhibitor" 97.10 563 100.00 100.00 3.48e-84 PDB 3M8P "Hiv-1 Rt With Nnrti Tmc-125" 97.10 561 100.00 100.00 3.58e-84 PDB 3M8Q "Hiv-1 Rt With Aminopyrimidine Nnrti" 97.10 561 100.00 100.00 3.58e-84 PDB 3MEC "Hiv-1 Reverse Transcriptase In Complex With Tmc125" 97.10 560 100.00 100.00 3.54e-84 PDB 3MED "Hiv-1 K103n Reverse Transcriptase In Complex With Tmc125" 97.10 560 100.00 100.00 3.57e-84 PDB 3MEE "Hiv-1 Reverse Transcriptase In Complex With Tmc278" 97.10 560 100.00 100.00 3.54e-84 PDB 3MEG "Hiv-1 K103n Reverse Transcriptase In Complex With Tmc278" 97.10 560 100.00 100.00 3.57e-84 PDB 3NBP "Hiv-1 Reverse Transcriptase With Aminopyrimidine Inhibitor 2" 97.10 561 100.00 100.00 3.58e-84 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 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 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 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 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 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 PDB 4I7F "Hiv-1 Reverse Transcriptase In Complex With A Phosphonate Analog Of Nevirapine" 97.10 560 100.00 100.00 3.54e-84 PDB 4KV8 "Crystal Structure Of Hiv Rt In Complex With Bilr0355bs" 97.10 564 100.00 100.00 3.34e-84 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 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 DBJ BAA12997 "Pol [Human immunodeficiency virus 1]" 97.10 1015 97.76 100.00 1.93e-79 DBJ BAH96515 "Pol [Human immunodeficiency virus 1]" 97.10 1003 97.01 98.51 1.46e-78 DBJ BAH96524 "Pol [Human immunodeficiency virus 1]" 97.10 1003 97.01 98.51 1.36e-78 GB AAA93161 "reverse transcriptase/RNaseH, partial [Human immunodeficiency virus 1]" 97.10 566 100.00 100.00 5.20e-84 GB AAA93162 "reverse transcriptase/RNaseH, partial [Human immunodeficiency virus 1]" 97.10 566 97.01 100.00 3.17e-81 GB AAA93165 "reverse transcriptase/RNaseH, partial [Human immunodeficiency virus 1]" 97.10 566 97.01 100.00 3.04e-81 GB AAB05599 "pol polyprotein, partial [Human immunodeficiency virus 1]" 97.10 1003 97.01 100.00 1.71e-78 GB AAB50259 "pol polyprotein (NH2-terminus uncertain) [Human immunodeficiency virus 1]" 97.10 912 100.00 100.00 3.44e-81 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 REF NP_057849 "Gag-Pol [Human immunodeficiency virus 1]" 97.10 1435 100.00 100.00 2.61e-80 REF NP_705927 "reverse transcriptase [Human immunodeficiency virus 1]" 97.10 560 100.00 100.00 3.54e-84 REF NP_789740 "Pol [Human immunodeficiency virus 1]" 97.10 995 100.00 100.00 6.05e-81 REF YP_001856242 "reverse transcriptase [Human immunodeficiency virus 1]" 97.10 560 100.00 100.00 3.54e-84 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 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 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $hTR-DKC Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name _Details $hTR-DKC 'cell free synthesis' . . . . . ; DNA was chemically synthesized and then transcribed in vitro using T7 RNA polymerase. ; stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $hTR-DKC 1 mM . 'sodium phosphate buffer' 10 mM . KCl 200 mM . EDTA 50 uM . 'sodium azide' 0.2 % . H2O 95 % . D2O 5 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $hTR-DKC 1 mM '[U-13C; U-15N]' 'sodium phosphate buffer' 10 mM . KCl 200 mM . EDTA 50 uM . 'sodium azide' 0.2 % . H2O 95 % . D2O 5 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $hTR-DKC 1 mM . 'sodium phosphate buffer' 10 mM . KCl 200 mM . EDTA 50 uM . 'sodium azide' 0.2 % . D2O 100 % . stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $hTR-DKC 1 mM '[U-13C; U-15N]' 'sodium phosphate buffer' 10 mM . KCl 200 mM . EDTA 50 uM . 'sodium azide' 0.2 % . D2O 100 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Task collection processing stop_ _Details Bruker save_ save_AURELIA _Saveframe_category software _Name AURELIA _Version 3.108 loop_ _Task 'data analysis' stop_ _Details Brunger save_ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version 3.851 loop_ _Task refinement 'structure solution' stop_ _Details NIH save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_NOESY_(1,1echo_and_watergate)_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY (1,1echo and watergate)' _Sample_label . save_ save_2D_15N-HMQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N-HMQC' _Sample_label . save_ save_2D_15N-CPMG-NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N-CPMG-NOESY' _Sample_label . save_ save_2D_JNN-HNN-COSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D JNN-HNN-COSY' _Sample_label . save_ save_2D_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_2D_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label . save_ save_31P-spin_echo_difference_CT_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '31P-spin echo difference CT HSQC' _Sample_label . save_ save_3D_13C-NOESY_HMQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-NOESY HMQC' _Sample_label . save_ save_2D_13C-HMQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C-HMQC' _Sample_label . save_ save_2D_HCCH_COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HCCH COSY' _Sample_label . save_ save_3D_HCCH_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH TOCSY' _Sample_label . save_ save_CT-CE-HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name CT-CE-HSQC _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY (1,1echo and watergate)' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N-HMQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N-CPMG-NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D JNN-HNN-COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '31P-spin echo difference CT HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-NOESY HMQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C-HMQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HCCH COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name CT-CE-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 200 . mM pH 6.3 . n/a pressure 1 . atm temperature 283 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS H 2 'methyl protons' ppm 0.0 . indirect . . . 0.153506088 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS P 31 'methyl protons' ppm 0.0 . indirect . . . 0.404808636 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name dcloop _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 G H1 H 13.133 0.02 1 2 . 1 G H8 H 8.175 0.02 1 3 . 1 G C8 C 139.072 0.05 1 4 . 1 G N1 N 146.863 0.05 1 5 . 1 G N7 N 231.974 0.05 1 6 . 1 G N9 N 168.181 0.05 1 7 . 1 G H1' H 5.843 0.02 1 8 . 1 G H2' H 4.962 0.02 1 9 . 1 G H3' H 4.754 0.02 1 10 . 1 G H4' H 4.587 0.02 1 11 . 1 G H5' H 4.459 0.02 2 12 . 1 G H5'' H 4.313 0.02 2 13 . 1 G C1' C 89.230 0.05 1 14 . 1 G C2' C 72.317 0.05 1 15 . 1 G C3' C 72.159 0.05 1 16 . 1 G C4' C 80.977 0.05 1 17 . 1 G C5' C 64.698 0.05 1 18 . 2 G H1 H 13.718 0.02 1 19 . 2 G H8 H 7.686 0.02 1 20 . 2 G C8 C 136.816 0.05 1 21 . 2 G N1 N 148.132 0.05 1 22 . 2 G N7 N 232.822 0.05 1 23 . 2 G N9 N 168.834 0.05 1 24 . 2 G H1' H 5.952 0.02 1 25 . 2 G H2' H 4.619 0.02 1 26 . 2 G H3' H 4.630 0.02 1 27 . 2 G H4' H 4.575 0.02 1 28 . 2 G H5' H 4.285 0.02 2 29 . 2 G H5'' H 4.564 0.02 2 30 . 2 G C1' C 90.541 0.05 1 31 . 2 G C2' C 72.906 0.05 1 32 . 2 G C3' C 70.253 0.05 1 33 . 2 G C4' C 80.013 0.05 1 34 . 2 G C5' C 63.287 0.05 1 35 . 3 C H41 H 8.964 0.02 1 36 . 3 C H42 H 7.295 0.02 1 37 . 3 C H5 H 5.308 0.02 1 38 . 3 C H6 H 7.758 0.02 1 39 . 3 C C5 C 97.091 0.05 1 40 . 3 C C6 C 141.055 0.05 1 41 . 3 C N4 N 98.746 0.05 1 42 . 3 C H1' H 5.597 0.02 1 43 . 3 C H2' H 4.435 0.02 1 44 . 3 C H3' H 4.496 0.02 1 45 . 3 C H4' H 4.475 0.02 1 46 . 3 C H5' H 4.123 0.02 2 47 . 3 C H5'' H 4.600 0.02 2 48 . 3 C C1' C 91.511 0.05 1 49 . 3 C C2' C 73.012 0.05 1 50 . 3 C C3' C 69.601 0.05 1 51 . 3 C C4' C 79.498 0.05 1 52 . 3 C C5' C 61.992 0.05 1 53 . 4 U H3 H 14.365 0.02 1 54 . 4 U H5 H 5.467 0.02 1 55 . 4 U H6 H 7.920 0.02 1 56 . 4 U C5 C 103.381 0.05 1 57 . 4 U C6 C 142.080 0.05 1 58 . 4 U N3 N 162.124 0.05 1 59 . 4 U H1' H 5.616 0.02 1 60 . 4 U H2' H 4.628 0.02 1 61 . 4 U H3' H 4.518 0.02 1 62 . 4 U H4' H 4.459 0.02 1 63 . 4 U H5' H 4.116 0.02 2 64 . 4 U H5'' H 4.586 0.02 2 65 . 4 U C1' C 91.249 0.05 1 66 . 4 U C2' C 72.908 0.05 1 67 . 4 U C3' C 69.606 0.05 1 68 . 4 U C4' C 79.591 0.05 1 69 . 4 U C5' C 62.014 0.05 1 70 . 5 C H41 H 8.512 0.02 1 71 . 5 C H42 H 7.279 0.02 1 72 . 5 C H5 H 5.581 0.02 1 73 . 5 C H6 H 7.665 0.02 1 74 . 5 C C5 C 97.707 0.05 1 75 . 5 C C6 C 141.328 0.05 1 76 . 5 C N4 N 96.949 0.05 1 77 . 5 C H1' H 5.506 0.02 1 78 . 5 C H2' H 4.556 0.02 1 79 . 5 C H3' H 4.215 0.02 1 80 . 5 C H4' H 4.470 0.02 1 81 . 5 C H5' H 4.103 0.02 2 82 . 5 C H5'' H 4.499 0.02 2 83 . 5 C C1' C 91.770 0.05 1 84 . 5 C C2' C 73.016 0.05 1 85 . 5 C C3' C 70.165 0.05 1 86 . 5 C C4' C 79.662 0.05 1 87 . 5 C C5' C 62.856 0.05 1 88 . 6 U H5 H 5.676 0.02 1 89 . 6 U H6 H 7.866 0.02 1 90 . 6 U C5 C 105.091 0.05 1 91 . 6 U C6 C 141.055 0.05 1 92 . 6 U H1' H 5.467 0.02 1 93 . 6 U H2' H 4.270 0.02 1 94 . 6 U H3' H 4.580 0.02 1 95 . 6 U H4' H 4.344 0.02 1 96 . 6 U H5' H 4.102 0.02 2 97 . 6 U H5'' H 4.438 0.02 2 98 . 6 U C1' C 91.503 0.05 1 99 . 6 U C2' C 73.352 0.05 1 100 . 6 U C3' C 70.722 0.05 1 101 . 6 U C4' C 80.597 0.05 1 102 . 6 U C5' C 62.238 0.05 1 103 . 7 C H41 H 7.456 0.02 2 104 . 7 C H42 H 6.891 0.02 2 105 . 7 C H5 H 5.948 0.02 1 106 . 7 C H6 H 7.923 0.02 1 107 . 7 C C5 C 98.937 0.05 1 108 . 7 C C6 C 143.858 0.05 1 109 . 7 C N4 N 93.904 0.05 1 110 . 7 C H1' H 5.892 0.02 1 111 . 7 C H2' H 4.448 0.02 1 112 . 7 C H3' H 4.420 0.02 1 113 . 7 C H4' H 4.280 0.02 1 114 . 7 C H5' H 4.052 0.02 2 115 . 7 C H5'' H 4.182 0.02 2 116 . 7 C C1' C 88.481 0.05 1 117 . 7 C C2' C 72.849 0.05 1 118 . 7 C C3' C 74.278 0.05 1 119 . 7 C C4' C 82.317 0.05 1 120 . 7 C C5' C 64.272 0.05 1 121 . 8 A H2 H 8.038 0.02 1 122 . 8 A H61 H 7.156 0.02 2 123 . 8 A H62 H 7.156 0.02 2 124 . 8 A H8 H 8.150 0.02 1 125 . 8 A C2 C 155.276 0.05 1 126 . 8 A C8 C 141.465 0.05 1 127 . 8 A N6 N 78.962 0.05 1 128 . 8 A N7 N 235.224 0.05 1 129 . 8 A N9 N 168.667 0.05 1 130 . 8 A H1' H 5.823 0.02 1 131 . 8 A H2' H 4.454 0.02 1 132 . 8 A H3' H 4.626 0.02 1 133 . 8 A H4' H 4.084 0.02 1 134 . 8 A H5' H 3.832 0.02 2 135 . 8 A H5'' H 3.514 0.02 2 136 . 8 A C1' C 87.463 0.05 1 137 . 8 A C2' C 75.682 0.05 1 138 . 8 A C3' C 76.425 0.05 1 139 . 8 A C4' C 83.028 0.05 1 140 . 8 A C5' C 65.103 0.05 1 141 . 9 G H21 H 6.499 0.02 2 142 . 9 G H22 H 6.499 0.02 2 143 . 9 G H8 H 7.939 0.02 1 144 . 9 G C8 C 141.738 0.05 1 145 . 9 G N2 N 74.408 0.05 1 146 . 9 G N7 N 233.175 0.05 1 147 . 9 G N9 N 168.653 0.05 1 148 . 9 G H1' H 5.920 0.02 1 149 . 9 G H2' H 5.026 0.02 1 150 . 9 G H3' H 5.133 0.02 1 151 . 9 G H4' H 4.459 0.02 1 152 . 9 G H5' H 4.123 0.02 2 153 . 9 G H5'' H 4.286 0.02 2 154 . 9 G C1' C 89.475 0.05 1 155 . 9 G C2' C 72.570 0.05 1 156 . 9 G C3' C 74.660 0.05 1 157 . 9 G C4' C 82.285 0.05 1 158 . 9 G C5' C 65.949 0.05 1 159 . 10 U H5 H 5.961 0.02 1 160 . 10 U H6 H 7.938 0.02 1 161 . 10 U C5 C 105.228 0.05 1 162 . 10 U C6 C 143.995 0.05 1 163 . 10 U H1' H 6.003 0.02 1 164 . 10 U H2' H 4.551 0.02 1 165 . 10 U H3' H 4.775 0.02 1 166 . 10 U H4' H 4.625 0.02 1 167 . 10 U H5' H 4.388 0.02 2 168 . 10 U H5'' H 4.254 0.02 2 169 . 10 U C1' C 88.689 0.05 1 170 . 10 U C2' C 73.009 0.05 1 171 . 10 U C3' C 73.307 0.05 1 172 . 10 U C4' C 82.095 0.05 1 173 . 10 U C5' C 64.947 0.05 1 174 . 11 G H1 H 12.600 0.02 1 175 . 11 G H21 H 8.278 0.02 1 176 . 11 G H22 H 6.383 0.02 1 177 . 11 G H8 H 7.631 0.02 1 178 . 11 G C8 C 137.431 0.05 1 179 . 11 G N1 N 147.014 0.05 1 180 . 11 G N2 N 74.285 0.05 1 181 . 11 G N7 N 233.671 0.05 1 182 . 11 G N9 N 168.389 0.05 1 183 . 11 G H1' H 5.052 0.02 1 184 . 11 G H2' H 4.623 0.02 1 185 . 11 G H3' H 4.513 0.02 1 186 . 11 G H4' H 4.421 0.02 1 187 . 11 G H5' H 4.181 0.02 2 188 . 11 G H5'' H 4.407 0.02 2 189 . 11 G C1' C 90.663 0.05 1 190 . 11 G C2' C 72.740 0.05 1 191 . 11 G C3' C 71.040 0.05 1 192 . 11 G C4' C 80.205 0.05 1 193 . 11 G C5' C 64.270 0.05 1 194 . 12 A H2 H 7.482 0.02 1 195 . 12 A H8 H 7.830 0.02 1 196 . 12 A C2 C 153.293 0.05 1 197 . 12 A C8 C 139.687 0.05 1 198 . 12 A N1 N 220.578 0.05 1 199 . 12 A N3 N 211.547 0.05 1 200 . 12 A N6 N 82.490 0.05 1 201 . 12 A N7 N 228.513 0.05 1 202 . 12 A N9 N 169.931 0.05 1 203 . 12 A H1' H 6.002 0.02 1 204 . 12 A H2' H 4.751 0.02 1 205 . 12 A H3' H 4.709 0.02 1 206 . 12 A H4' H 4.544 0.02 1 207 . 12 A H5' H 4.566 0.02 2 208 . 12 A H5'' H 4.167 0.02 2 209 . 12 A C1' C 90.597 0.05 1 210 . 12 A C2' C 73.307 0.05 1 211 . 12 A C3' C 70.191 0.05 1 212 . 12 A C4' C 79.634 0.05 1 213 . 12 A C5' C 62.757 0.05 1 214 . 13 G H1 H 13.730 0.02 1 215 . 13 G H8 H 7.254 0.02 1 216 . 13 G C8 C 135.653 0.05 1 217 . 13 G N1 N 148.072 0.05 1 218 . 13 G N2 N 74.626 0.05 1 219 . 13 G N7 N 233.599 0.05 1 220 . 13 G N9 N 168.639 0.05 1 221 . 13 G H1' H 5.704 0.02 1 222 . 13 G H2' H 4.485 0.02 1 223 . 13 G H3' H 4.469 0.02 1 224 . 13 G H4' H 4.492 0.02 1 225 . 13 G H5' H 4.085 0.02 2 226 . 13 G H5'' H 4.503 0.02 2 227 . 13 G C1' C 90.264 0.05 1 228 . 13 G C2' C 72.894 0.05 1 229 . 13 G C3' C 70.192 0.05 1 230 . 13 G C4' C 79.481 0.05 1 231 . 13 G C5' C 63.031 0.05 1 232 . 14 C H41 H 8.902 0.02 1 233 . 14 C H42 H 7.249 0.02 1 234 . 14 C H5 H 5.211 0.02 1 235 . 14 C H6 H 7.630 0.02 1 236 . 14 C C5 C 97.023 0.05 1 237 . 14 C C6 C 140.918 0.05 1 238 . 14 C N4 N 98.760 0.05 1 239 . 14 C H1' H 5.554 0.02 1 240 . 14 C H2' H 4.302 0.02 1 241 . 14 C H3' H 4.433 0.02 1 242 . 14 C H4' H 4.422 0.02 1 243 . 14 C H5' H 4.061 0.02 2 244 . 14 C H5'' H 4.553 0.02 2 245 . 14 C C1' C 91.626 0.05 1 246 . 14 C C2' C 72.155 0.05 1 247 . 14 C C3' C 69.350 0.05 1 248 . 14 C C4' C 79.462 0.05 1 249 . 14 C C5' C 61.938 0.05 1 250 . 15 C H41 H 8.712 0.02 1 251 . 15 C H42 H 7.314 0.02 1 252 . 15 C H5 H 5.550 0.02 1 253 . 15 C H6 H 7.689 0.02 1 254 . 15 C C5 C 98.254 0.05 1 255 . 15 C C6 C 141.602 0.05 1 256 . 15 C N4 N 96.949 0.05 1 257 . 15 C H1' H 5.792 0.02 1 258 . 15 C H2' H 4.036 0.02 1 259 . 15 C H3' H 4.190 0.02 1 260 . 15 C H4' H 4.188 0.02 1 261 . 15 C H5' H 4.049 0.02 2 262 . 15 C H5'' H 4.503 0.02 2 263 . 15 C C1' C 90.599 0.05 1 264 . 15 C C2' C 75.059 0.05 1 265 . 15 C C3' C 67.062 0.05 1 266 . 15 C C4' C 80.904 0.05 1 267 . 15 C C5' C 62.533 0.05 1 stop_ save_