data_4781 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Structure of Stem-loop SL2 of the HIV-1 Psi RNA Packaging Signal Reveals a Novel A-U-A Base-triple Platform ; _BMRB_accession_number 4781 _BMRB_flat_file_name bmr4781.str _Entry_type original _Submission_date 2000-07-10 _Accession_date 2000-07-10 _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 Amarasinghe Gaya K. . 2 'De Guzman' Roberto N. . 3 Turner Ryan B. . 4 Summers Michael F. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 436 "13C chemical shifts" 272 "15N chemical shifts" 58 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-04-04 original BMRB . stop_ _Original_release_date 2000-07-10 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR Structure of Stem-loop SL2 of the HIV-1 Psi RNA Packaging Signal Reveals a Novel A-U-A Base-triple Platform ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 20328605 _PubMed_ID 10860728 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Amarasinghe Gaya K. . 2 'De Guzman' Roberto N. . 3 Turner Ryan B. . 4 Summers Michael F. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of Molecular Biology' _Journal_volume 299 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 145 _Page_last 156 _Year 2000 _Details ; SL2 RNA stem loop is the major 5' splice donor site. Located in the Psi-RNA packaging signal, SL2 is also involved in nucleocapsid protein mediated RNA packaging. ; loop_ _Keyword HIV-1 'NMR assingment' 'RNA packaging' 'nucleocapsid protein' stop_ save_ ################################## # Molecular system description # ################################## save_system_SL2 _Saveframe_category molecular_system _Mol_system_name 'SL2 stem loop RNA from HIV-1' _Abbreviation_common SL2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'SL2 RNA' $SL2 NCp7 $NC stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state complex _System_paramagnetic no _System_thiol_state 'not reported' loop_ _Biological_function 'Major splice donor site' 'Viral genome packaging site' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_SL2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common 'HIV-1 SL2 stem loop' _Name_variant SL2 _Abbreviation_common SL2 _Molecular_mass 6371 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 19 _Mol_residue_sequence ; GGCGACUGGUGAGUACGCC ; loop_ _Residue_seq_code _Residue_label 1 G 2 G 3 C 4 G 5 A 6 C 7 U 8 G 9 G 10 U 11 G 12 A 13 G 14 U 15 A 16 C 17 G 18 C 19 C stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_NC _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'NCp7 protein' _Name_variant NCp7 _Abbreviation_common NC _Molecular_mass 6372 _Mol_thiol_state 'not reported' _Details . _Residue_count 55 _Mol_residue_sequence ; MQKGNFRNQRKTVKCFNCGK EGHIAKNCRAPRKKGCWKCG KEGHQMKDCTERQAN ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLN 3 LYS 4 GLY 5 ASN 6 PHE 7 ARG 8 ASN 9 GLN 10 ARG 11 LYS 12 THR 13 VAL 14 LYS 15 CYS 16 PHE 17 ASN 18 CYS 19 GLY 20 LYS 21 GLU 22 GLY 23 HIS 24 ILE 25 ALA 26 LYS 27 ASN 28 CYS 29 ARG 30 ALA 31 PRO 32 ARG 33 LYS 34 LYS 35 GLY 36 CYS 37 TRP 38 LYS 39 CYS 40 GLY 41 LYS 42 GLU 43 GLY 44 HIS 45 GLN 46 MET 47 LYS 48 ASP 49 CYS 50 THR 51 GLU 52 ARG 53 GLN 54 ALA 55 ASN stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 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 DBJ BAC02557 'gag-pol polyprotein [Human immunodeficiency virus 1]' 100.00 879 98.18 100.00 5.08e-26 DBJ BAC77486 'Gag-Pol fusion polyprotein [Human immunodeficiency virus 1]' 100.00 1439 98.18 100.00 5.04e-26 DBJ BAC77487 'Gag polyprotein [Human immunodeficiency virus 1]' 100.00 503 98.18 100.00 7.52e-26 DBJ BAC77511 'Gag-Pol fusion protein [Human immunodeficiency virus 1]' 100.00 1438 100.00 100.00 2.08e-26 DBJ BAC77512 'Gag polyprotein [Human immunodeficiency virus 1]' 100.00 503 100.00 100.00 2.59e-26 EMBL CAD26937 'gag polyprotein [Human immunodeficiency virus 1]' 100.00 503 98.18 100.00 4.87e-26 EMBL CAD26939 'gag polyprotein [Human immunodeficiency virus 1]' 100.00 503 98.18 100.00 5.00e-26 EMBL CAD26945 'gag polyprotein [Human immunodeficiency virus 1]' 100.00 515 98.18 100.00 4.75e-26 EMBL CAD26946 'gag polyprotein [Human immunodeficiency virus 1]' 100.00 515 98.18 100.00 4.75e-26 EMBL CAD26947 'gag polyprotein [Human immunodeficiency virus 1]' 100.00 515 98.18 100.00 4.87e-26 GenBank AAA44987 'gag polyprotein' 100.00 500 98.18 100.00 8.31e-26 GenBank AAA81036 'GAG polyprotein precursor [Human immunodeficiency virus type 1]' 100.00 500 98.18 100.00 4.64e-26 GenBank AAB60571 'Gag polyprotein precursor' 100.00 500 98.18 100.00 8.81e-26 GenBank AAC28445 'gag protein [Human immunodeficiency virus type 1]' 100.00 500 98.18 100.00 8.53e-26 GenBank AAD03199 'gag protein [Human immunodeficiency virus type 1]' 100.00 501 98.18 100.00 5.57e-26 SWISS-PROT P12493 ; Gag polyprotein (Pr55Gag) [Contains: Matrix protein p17 (MA); Capsid protein p24 (CA); Spacer peptide p2; Nucleocapsid protein p7 (NC); Spacer peptide p1; p6-gag] ; 100.00 500 98.18 100.00 8.31e-26 SWISS-PROT P12497 ; Gag-Pol polyprotein (Pr160Gag-Pol) [Contains: Matrix protein p17 (MA); Capsid protein p24 (CA); Spacer peptide p2; Nucleocapsid protein p7 (NC); Transframe peptide (TF); p6-pol (p6*); Protease (Retropepsin) (PR); Reverse transcriptase/ribonuclease H (p66 RT); p51 RT; p15; Integrase (IN)] ; 100.00 1435 98.18 100.00 1.09e-27 SWISS-PROT P35962 ; Gag polyprotein (Pr55Gag) [Contains: Matrix protein p17 (MA); Capsid protein p24 (CA); Spacer peptide p2; Nucleocapsid protein p7 (NC); Spacer peptide p1; p6-gag] ; 100.00 500 98.18 100.00 4.37e-26 SWISS-PROT P35963 ; Gag-Pol polyprotein (Pr160Gag-Pol) [Contains: Matrix protein p17 (MA); Capsid protein p24 (CA); Spacer peptide p2; Nucleocapsid protein p7 (NC); Transframe peptide (TF); p6-pol (p6*); Protease (Retropepsin) (PR); Reverse transcriptase/ribonuclease H (p66 RT); p51 RT; p15; Integrase (IN)] ; 100.00 1435 98.18 100.00 6.36e-28 SWISS-PROT Q73367 ; Gag polyprotein (Pr55Gag) [Contains: Matrix protein p17 (MA); Capsid protein p24 (CA); Spacer peptide p2; Nucleocapsid protein p7 (NC); Spacer peptide p1; p6-gag] ; 100.00 500 98.18 100.00 4.64e-26 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _ICTVdb_decimal_code _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SL2 HIV-1 11676 . Viruses . . . $NC HIV-1 11676 . . . . . 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 $SL2 'enzymatic semisynthesis' . . . . . $NC 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'natural abundance' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $SL2 . mM 0.6 1.2 . $NC . mM 0.6 1.2 . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SL2 0.8 mM [U-13C] $NC 0.8 mM '[U-13C; U-15N]' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $SL2 . mM 0.8 1.2 . $NC . mM 0.8 1.2 [U-15N] stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 2.6 loop_ _Task 'Data aquisition on from the NMR' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 1.0 loop_ _Task 'Data processing' stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 3.0 loop_ _Task 'Data analysis' stop_ _Details . save_ save_DYANA _Saveframe_category software _Name DYANA _Version 1.5 loop_ _Task 'Structure calculation' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.0 loop_ _Task 'Structure refinement and energy minimization' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance DMX' _Field_strength 600 _Details . save_ save_NMR_spectrometer2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance DRX' _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_2D_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label . save_ save_2D_DQF_COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF COSY' _Sample_label . save_ save_1H-13C_HMQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HMQC' _Sample_label . save_ save_1H,1H,13C_HMQC-NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '1H,1H,13C HMQC-NOESY' _Sample_label . save_ save_1H,1H,13C_HCCH-COSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '1H,1H,13C HCCH-COSY' _Sample_label . save_ save_1H,1H,13C_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '1H,1H,13C HCCH-TOCSY' _Sample_label . save_ save_1H,1H,15N_HSQC-NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '1H,1H,15N HSQC-NOESY' _Sample_label . save_ ####################### # Sample conditions # ####################### save_Ex-cond-1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH* 6.5 0.3 n/a temperature 298 2 K stop_ save_ save_Ex-cond-2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH* 6.5 0.3 n/a temperature 278 2 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 N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 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_ncp7 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D NOESY' '2D TOCSY' stop_ _Sample_conditions_label $Ex-cond-1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name NCp7 _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 . 3 LYS H H 8.649 0.02 1 2 . 3 LYS HA H 4.349 0.02 1 3 . 3 LYS HB2 H 1.815 0.02 1 4 . 3 LYS HB3 H 1.815 0.02 1 5 . 3 LYS HG2 H 1.468 0.02 1 6 . 3 LYS HG3 H 1.468 0.02 1 7 . 3 LYS HD2 H 4.695 0.02 1 8 . 3 LYS HD3 H 4.695 0.02 1 9 . 3 LYS HE2 H 3.027 0.02 1 10 . 3 LYS HE3 H 3.027 0.02 1 11 . 3 LYS CA C 56.675 0.20 1 12 . 3 LYS CB C 33.182 0.20 1 13 . 3 LYS CG C 24.835 0.20 1 14 . 3 LYS CD C 29.208 0.20 1 15 . 3 LYS CE C 42.026 0.20 1 16 . 3 LYS N N 123.627 0.20 1 17 . 4 GLY H H 8.573 0.02 1 18 . 4 GLY HA2 H 3.903 0.02 1 19 . 4 GLY HA3 H 3.903 0.02 1 20 . 4 GLY CA C 45.482 0.20 1 21 . 4 GLY N N 110.133 0.20 1 22 . 5 ASN H H 8.327 0.02 1 23 . 5 ASN HA H 4.675 0.02 1 24 . 5 ASN HB2 H 2.698 0.02 1 25 . 5 ASN HB3 H 2.698 0.02 1 26 . 5 ASN HD21 H 6.950 0.02 1 27 . 5 ASN HD22 H 7.570 0.02 1 28 . 5 ASN CA C 53.272 0.20 1 29 . 5 ASN CB C 38.875 0.20 1 30 . 5 ASN N N 118.858 0.20 1 31 . 5 ASN ND2 N 113.102 0.20 1 32 . 6 PHE H H 8.248 0.02 1 33 . 6 PHE HA H 4.578 0.02 1 34 . 6 PHE HB2 H 3.017 0.02 1 35 . 6 PHE HB3 H 3.168 0.02 1 36 . 6 PHE HD1 H 7.226 0.02 1 37 . 6 PHE HD2 H 7.226 0.02 1 38 . 6 PHE HE1 H 7.320 0.02 1 39 . 6 PHE HE2 H 7.320 0.02 1 40 . 6 PHE HZ H 7.255 0.02 1 41 . 6 PHE CA C 57.968 0.20 1 42 . 6 PHE CB C 38.771 0.20 1 43 . 6 PHE CD1 C 131.594 0.20 1 44 . 6 PHE CD2 C 131.594 0.20 1 45 . 6 PHE CE1 C 130.918 0.20 1 46 . 6 PHE CE2 C 130.918 0.20 1 47 . 6 PHE CZ C 129.374 0.20 1 48 . 6 PHE N N 120.257 0.20 1 49 . 7 ARG H H 8.197 0.02 1 50 . 7 ARG HA H 4.224 0.02 1 51 . 7 ARG HB2 H 1.766 0.02 1 52 . 7 ARG HB3 H 1.766 0.02 1 53 . 7 ARG HG2 H 1.545 0.02 1 54 . 7 ARG HG3 H 1.545 0.02 1 55 . 7 ARG HD2 H 3.181 0.02 1 56 . 7 ARG HD3 H 3.181 0.02 1 57 . 7 ARG CA C 56.666 0.20 1 58 . 7 ARG CB C 30.747 0.20 1 59 . 7 ARG CG C 27.161 0.20 1 60 . 7 ARG CD C 43.333 0.20 1 61 . 7 ARG N N 121.920 0.20 1 62 . 8 ASN H H 8.445 0.02 1 63 . 8 ASN HA H 4.676 0.02 1 64 . 8 ASN HB2 H 2.792 0.02 1 65 . 8 ASN HB3 H 2.792 0.02 1 66 . 8 ASN HD21 H 7.074 0.02 1 67 . 8 ASN HD22 H 7.717 0.02 1 68 . 8 ASN CA C 53.576 0.20 1 69 . 8 ASN CB C 38.626 0.20 1 70 . 8 ASN N N 119.246 0.20 1 71 . 8 ASN ND2 N 113.303 0.20 1 72 . 9 GLN H H 8.278 0.02 1 73 . 9 GLN HA H 4.290 0.02 1 74 . 9 GLN HB2 H 1.965 0.02 1 75 . 9 GLN HB3 H 1.965 0.02 1 76 . 9 GLN HG2 H 2.342 0.02 1 77 . 9 GLN HG3 H 2.342 0.02 1 78 . 9 GLN HE21 H 6.870 0.02 1 79 . 9 GLN HE22 H 7.539 0.02 1 80 . 9 GLN CA C 56.062 0.20 1 81 . 9 GLN CB C 29.469 0.20 1 82 . 9 GLN CG C 33.912 0.20 1 83 . 9 GLN N N 120.277 0.20 1 84 . 9 GLN NE2 N 112.564 0.20 1 85 . 10 ARG H H 8.249 0.02 1 86 . 10 ARG HA H 4.228 0.02 1 87 . 10 ARG HB2 H 1.764 0.02 1 88 . 10 ARG HB3 H 1.764 0.02 1 89 . 10 ARG HG2 H 1.588 0.02 1 90 . 10 ARG HG3 H 1.588 0.02 1 91 . 10 ARG HD2 H 3.179 0.02 1 92 . 10 ARG HD3 H 3.179 0.02 1 93 . 10 ARG CA C 56.923 0.20 1 94 . 10 ARG CB C 30.785 0.20 1 95 . 10 ARG CG C 27.204 0.20 1 96 . 10 ARG CD C 43.454 0.20 1 97 . 10 ARG N N 121.477 0.20 1 98 . 11 LYS HA H 4.290 0.02 1 99 . 11 LYS HB2 H 1.752 0.02 1 100 . 11 LYS HB3 H 1.752 0.02 1 101 . 11 LYS HG2 H 1.348 0.02 1 102 . 11 LYS HG3 H 1.348 0.02 1 103 . 11 LYS HD2 H 1.646 0.02 1 104 . 11 LYS HD3 H 1.646 0.02 1 105 . 11 LYS HE2 H 2.939 0.02 1 106 . 11 LYS HE3 H 2.939 0.02 1 107 . 11 LYS CA C 56.112 0.20 1 108 . 11 LYS CB C 33.085 0.20 1 109 . 11 LYS CG C 24.904 0.20 1 110 . 11 LYS CD C 29.251 0.20 1 111 . 11 LYS CE C 42.292 0.20 1 112 . 12 THR H H 7.909 0.02 1 113 . 12 THR HA H 4.199 0.02 1 114 . 12 THR HB H 4.058 0.02 1 115 . 12 THR HG2 H 1.037 0.02 1 116 . 12 THR CA C 61.535 0.20 1 117 . 12 THR CB C 629.206 0.20 1 118 . 12 THR CG2 C 21.73 0.20 1 119 . 12 THR N N 114.428 0.20 1 120 . 13 VAL H H 7.958 0.02 1 121 . 13 VAL HA H 3.906 0.02 1 122 . 13 VAL HB H 1.676 0.02 1 123 . 13 VAL HG1 H 0.487 0.02 1 124 . 13 VAL HG2 H 0.538 0.02 1 125 . 13 VAL CA C 61.267 0.20 1 126 . 13 VAL CB C 33.254 0.20 1 127 . 13 VAL CG1 C 20.030 0.20 1 128 . 13 VAL CG2 C 20.669 0.20 1 129 . 13 VAL N N 123.800 0.20 1 130 . 14 LYS H H 8.250 0.02 1 131 . 14 LYS HA H 4.213 0.02 1 132 . 14 LYS HB2 H 1.282 0.02 1 133 . 14 LYS HB3 H 1.282 0.02 1 134 . 14 LYS HG2 H 0.712 0.02 1 135 . 14 LYS HG3 H 0.712 0.02 1 136 . 14 LYS HD2 H 1.249 0.02 1 137 . 14 LYS HD3 H 1.249 0.02 1 138 . 14 LYS CA C 54.538 0.20 1 139 . 14 LYS CB C 34.577 0.20 1 140 . 14 LYS CG C 24.354 0.20 1 141 . 14 LYS CD C 29.436 0.20 1 142 . 14 LYS N N 125.503 0.20 1 143 . 15 CYS H H 8.373 0.02 1 144 . 15 CYS HA H 4.237 0.02 1 145 . 15 CYS HB2 H 1.479 0.02 1 146 . 15 CYS HB3 H 2.550 0.02 1 147 . 15 CYS CA C 59.224 0.20 1 148 . 15 CYS CB C 30.358 0.20 1 149 . 15 CYS N N 129.259 0.20 1 150 . 16 PHE H H 9.198 0.02 1 151 . 16 PHE HA H 5.062 0.02 1 152 . 16 PHE HB2 H 2.557 0.02 1 153 . 16 PHE HB3 H 3.521 0.02 1 154 . 16 PHE HD2 H 6.642 0.02 1 155 . 16 PHE HE2 H 6.588 0.02 1 156 . 16 PHE HZ H 5.832 0.02 1 157 . 16 PHE CA C 54.436 0.20 1 158 . 16 PHE CB C 36.390 0.20 1 159 . 16 PHE CD1 C 129.068 0.20 1 160 . 16 PHE CD2 C 129.068 0.20 1 161 . 16 PHE CE1 C 130.027 0.20 1 162 . 16 PHE CE2 C 130.027 0.20 1 163 . 16 PHE CZ C 128.929 0.20 1 164 . 16 PHE N N 127.657 0.20 1 165 . 17 ASN H H 10.123 0.02 1 166 . 17 ASN HA H 5.257 0.02 1 167 . 17 ASN HB2 H 2.621 0.02 1 168 . 17 ASN HB3 H 3.240 0.02 1 169 . 17 ASN HD21 H 6.829 0.02 1 170 . 17 ASN HD22 H 8.817 0.02 1 171 . 17 ASN CA C 56.858 0.20 1 172 . 17 ASN CB C 40.615 0.20 1 173 . 17 ASN N N 122.178 0.20 1 174 . 17 ASN ND2 N 118.711 0.20 1 175 . 18 CYS H H 8.764 0.02 1 176 . 18 CYS HA H 4.887 0.02 1 177 . 18 CYS HB2 H 2.543 0.02 1 178 . 18 CYS HB3 H 3.233 0.02 1 179 . 18 CYS CA C 58.568 0.20 1 180 . 18 CYS CB C 32.434 0.20 1 181 . 18 CYS N N 117.322 0.20 1 182 . 19 GLY H H 7.317 0.02 1 183 . 19 GLY HA2 H 2.208 0.02 1 184 . 19 GLY HA3 H 2.813 0.02 1 185 . 19 GLY CA C 45.053 0.20 1 186 . 19 GLY N N 114.627 0.20 1 187 . 20 LYS H H 7.918 0.02 1 188 . 20 LYS HA H 4.295 0.02 1 189 . 20 LYS HB2 H 1.771 0.02 1 190 . 20 LYS HB3 H 1.771 0.02 1 191 . 20 LYS HG2 H 1.365 0.02 1 192 . 20 LYS HG3 H 1.365 0.02 1 193 . 20 LYS HD2 H 1.595 0.02 1 194 . 20 LYS HD3 H 1.595 0.02 1 195 . 20 LYS HE2 H 2.979 0.02 1 196 . 20 LYS HE3 H 2.979 0.02 1 197 . 20 LYS CA C 55.374 0.20 1 198 . 20 LYS CB C 33.306 0.20 1 199 . 20 LYS CG C 25.697 0.20 1 200 . 20 LYS CD C 28.575 0.20 1 201 . 20 LYS CE C 42.279 0.20 1 202 . 20 LYS N N 120.796 0.20 1 203 . 21 GLU H H 8.131 0.02 1 204 . 21 GLU HA H 4.672 0.02 1 205 . 21 GLU HB2 H 1.773 0.02 1 206 . 21 GLU HB3 H 1.773 0.02 1 207 . 21 GLU HG2 H 2.066 0.02 1 208 . 21 GLU HG3 H 2.066 0.02 1 209 . 21 GLU CA C 55.824 0.20 1 210 . 21 GLU CB C 31.250 0.20 1 211 . 21 GLU CG C 36.732 0.20 1 212 . 21 GLU N N 117.424 0.20 1 213 . 22 GLY H H 8.930 0.02 1 214 . 22 GLY HA2 H 3.654 0.02 1 215 . 22 GLY HA3 H 4.404 0.02 1 216 . 22 GLY CA C 45.730 0.20 1 217 . 22 GLY N N 107.257 0.20 1 218 . 23 HIS H H 7.078 0.02 1 219 . 23 HIS HA H 4.584 0.02 1 220 . 23 HIS HB2 H 3.065 0.02 1 221 . 23 HIS HB3 H 3.065 0.02 1 222 . 23 HIS HD2 H 6.873 0.02 1 223 . 23 HIS HE1 H 7.253 0.02 1 224 . 23 HIS CA C 55.141 0.20 1 225 . 23 HIS CB C 29.935 0.20 1 226 . 23 HIS CD2 C 127.398 0.20 1 227 . 23 HIS CE1 C 137.002 0.20 1 228 . 23 HIS N N 114.742 0.20 1 229 . 24 ILE H H 7.571 0.02 1 230 . 24 ILE HA H 4.573 0.02 1 231 . 24 ILE HB H 1.334 0.02 1 232 . 24 ILE HG12 H 0.904 0.02 1 233 . 24 ILE HG13 H 0.904 0.02 1 234 . 24 ILE HG2 H 0.219 0.02 1 235 . 24 ILE HD1 H 0.476 0.02 1 236 . 24 ILE CA C 59.403 0.20 1 237 . 24 ILE CB C 41.394 0.20 1 238 . 24 ILE CG1 C 25.449 0.20 1 239 . 24 ILE CG2 C 17.892 0.20 1 240 . 24 ILE CD1 C 13.746 0.20 1 241 . 24 ILE N N 105.865 0.20 1 242 . 25 ALA H H 8.941 0.02 1 243 . 25 ALA HA H 4.516 0.02 1 244 . 25 ALA HB H 1.620 0.02 1 245 . 25 ALA CA C 56.512 0.20 1 246 . 25 ALA CB C 39.146 0.20 1 247 . 25 ALA N N 124.450 0.20 1 248 . 26 LYS H H 8.637 0.02 1 249 . 26 LYS HA H 4.189 0.02 1 250 . 26 LYS HB2 H 1.577 0.02 1 251 . 26 LYS HB3 H 1.866 0.02 1 252 . 26 LYS HG2 H 1.288 0.02 1 253 . 26 LYS HG3 H 1.288 0.02 1 254 . 26 LYS HD2 H 1.662 0.02 1 255 . 26 LYS HD3 H 1.662 0.02 1 256 . 26 LYS HE2 H 2.974 0.02 1 257 . 26 LYS HE3 H 2.974 0.02 1 258 . 26 LYS CA C 58.624 0.20 1 259 . 26 LYS CB C 32.000 0.20 1 260 . 26 LYS CG C 23.765 0.20 1 261 . 26 LYS CD C 29.345 0.20 1 262 . 26 LYS CE C 41.910 0.20 1 263 . 26 LYS N N 117.870 0.20 1 264 . 27 ASN H H 7.964 0.02 1 265 . 27 ASN HA H 5.051 0.02 1 266 . 27 ASN HB2 H 2.464 0.02 1 267 . 27 ASN HB3 H 3.040 0.02 1 268 . 27 ASN HD21 H 7.011 0.02 1 269 . 27 ASN HD22 H 7.954 0.02 1 270 . 27 ASN CA C 52.031 0.20 1 271 . 27 ASN CB C 40.087 0.20 1 272 . 27 ASN N N 114.850 0.20 1 273 . 27 ASN ND2 N 113.560 0.20 1 274 . 28 CYS H H 7.760 0.02 1 275 . 28 CYS HA H 3.752 0.02 1 276 . 28 CYS HB2 H 3.320 0.02 1 277 . 28 CYS HB3 H 3.018 0.02 1 278 . 28 CYS CA C 61.847 0.20 2 279 . 28 CYS CB C 30.962 0.20 1 280 . 28 CYS N N 128.299 0.20 1 281 . 29 ARG H H 8.788 0.02 1 282 . 29 ARG HA H 4.424 0.02 1 283 . 29 ARG HB2 H 1.942 0.02 1 284 . 29 ARG HB3 H 1.520 0.02 1 285 . 29 ARG HG2 H 1.479 0.02 1 286 . 29 ARG HG3 H 1.479 0.02 1 287 . 29 ARG HD2 H 3.031 0.02 1 288 . 29 ARG HD3 H 3.031 0.02 1 289 . 29 ARG CA C 55.668 0.20 1 290 . 29 ARG CB C 30.122 0.20 1 291 . 29 ARG CG C 27.201 0.20 1 292 . 29 ARG CD C 42.956 0.20 1 293 . 29 ARG N N 117.992 0.20 1 294 . 30 ALA H H 8.756 0.02 1 295 . 30 ALA HA H 4.571 0.02 1 296 . 30 ALA HB H 1.376 0.02 1 297 . 30 ALA CA C 50.973 0.20 1 298 . 30 ALA CB C 38.162 0.20 1 299 . 30 ALA N N 128.123 0.20 1 300 . 31 PRO HA H 4.324 0.02 1 301 . 31 PRO HB2 H 1.792 0.02 1 302 . 31 PRO HB3 H 2.307 0.02 1 303 . 31 PRO HG2 H 2.028 0.02 1 304 . 31 PRO HG3 H 2.028 0.02 1 305 . 31 PRO HD2 H 3.600 0.02 1 306 . 31 PRO HD3 H 3.804 0.02 1 307 . 31 PRO CA C 62.918 0.20 1 308 . 31 PRO CB C 31.862 0.20 1 309 . 31 PRO CG C 27.644 0.20 1 310 . 31 PRO CD C 4.987 0.20 1 311 . 32 ARG H H 6.826 0.02 1 312 . 32 ARG HA H 4.529 0.02 1 313 . 32 ARG HB2 H 1.660 0.02 1 314 . 32 ARG HB3 H 1.660 0.02 1 315 . 32 ARG HG2 H 1.614 0.02 1 316 . 32 ARG HG3 H 1.614 0.02 1 317 . 32 ARG HD2 H 3.230 0.02 1 318 . 32 ARG HD3 H 3.230 0.02 1 319 . 32 ARG CA C 55.666 0.20 1 320 . 32 ARG CB C 29.186 0.20 1 321 . 32 ARG CG C 26.983 0.20 1 322 . 32 ARG CD C 43.087 0.20 1 323 . 32 ARG N N 117.992 0.20 1 324 . 33 LYS H H 8.553 0.02 1 325 . 33 LYS HA H 4.669 0.02 1 326 . 33 LYS HB2 H 1.810 0.02 1 327 . 33 LYS HB3 H 1.810 0.02 1 328 . 33 LYS HG2 H 1.365 0.02 1 329 . 33 LYS HG3 H 1.365 0.02 1 330 . 33 LYS HD2 H 1.771 0.02 1 331 . 33 LYS HD3 H 1.771 0.02 1 332 . 33 LYS HE2 H 2.962 0.02 1 333 . 33 LYS HE3 H 2.962 0.02 1 334 . 33 LYS CA C 55.275 0.20 1 335 . 33 LYS CB C 33.776 0.20 1 336 . 33 LYS CG C 24.407 0.20 1 337 . 33 LYS CD C 29.660 0.20 1 338 . 33 LYS CE C 42.097 0.20 1 339 . 33 LYS N N 126.327 0.20 1 340 . 34 LYS H H 8.692 0.02 1 341 . 34 LYS HA H 4.318 0.02 1 342 . 34 LYS HB2 H 1.749 0.02 1 343 . 34 LYS HB3 H 1.749 0.02 1 344 . 34 LYS HG2 H 1.358 0.02 1 345 . 34 LYS HG3 H 1.358 0.02 1 346 . 34 LYS HD2 H 1.622 0.02 1 347 . 34 LYS HD3 H 1.622 0.02 1 348 . 34 LYS CA C 56.366 0.20 1 349 . 34 LYS CB C 31.881 0.20 1 350 . 34 LYS CG C 24.791 0.20 1 351 . 34 LYS CD C 29.034 0.20 1 352 . 34 LYS N N 121.402 0.20 2 353 . 35 GLY H H 8.405 0.02 1 354 . 35 GLY HA2 H 3.314 0.02 1 355 . 35 GLY HA3 H 3.885 0.02 1 356 . 35 GLY CA C 43.671 0.20 1 357 . 35 GLY N N 126.329 0.20 1 358 . 36 CYS H H 8.420 0.02 1 359 . 36 CYS HA H 4.365 0.02 1 360 . 36 CYS HB2 H 2.832 0.02 1 361 . 36 CYS HB3 H 1.995 0.02 1 362 . 36 CYS CA C 59.541 0.20 1 363 . 36 CYS CB C 30.442 0.20 1 364 . 36 CYS N N 126.389 0.20 1 365 . 37 TRP H H 9.085 0.02 1 366 . 37 TRP HA H 4.581 0.02 1 367 . 37 TRP HB2 H 3.292 0.02 1 368 . 37 TRP HB3 H 3.292 0.02 1 369 . 37 TRP HD1 H 6.851 0.02 1 370 . 37 TRP HE1 H 8.974 0.02 1 371 . 37 TRP HE3 H 7.447 0.02 1 372 . 37 TRP HZ2 H 6.899 0.02 1 373 . 37 TRP HZ3 H 6.729 0.02 1 374 . 37 TRP HH2 H 6.531 0.02 1 375 . 37 TRP CA C 58.225 0.20 1 376 . 37 TRP CB C 29.993 0.20 1 377 . 37 TRP CD1 C 121.638 0.20 1 378 . 37 TRP CE2 C 137.002 0.20 1 379 . 37 TRP CE3 C 119.990 0.20 1 380 . 37 TRP CZ2 C 113.955 0.20 1 381 . 37 TRP CZ3 C 121.081 0.20 1 382 . 37 TRP CH2 C 124.662 0.20 1 383 . 37 TRP N N 130.975 0.20 1 384 . 37 TRP NE1 N 112.242 0.20 1 385 . 38 LYS H H 9.875 0.02 1 386 . 38 LYS HA H 4.482 0.02 1 387 . 38 LYS HB2 H 1.760 0.02 1 388 . 38 LYS HB3 H 2.431 0.02 1 389 . 38 LYS HG2 H 1.384 0.02 1 390 . 38 LYS HG3 H 1.384 0.02 1 391 . 38 LYS HD2 H 1.773 0.02 1 392 . 38 LYS HD3 H 1.773 0.02 1 393 . 38 LYS HE2 H 3.027 0.02 1 394 . 38 LYS HE3 H 3.027 0.02 1 395 . 38 LYS CA C 57.057 0.20 1 396 . 38 LYS CB C 33.570 0.20 1 397 . 38 LYS CG C 26.093 0.20 1 398 . 38 LYS CD C 29.187 0.20 1 399 . 38 LYS CE C 42.334 0.20 1 400 . 38 LYS N N 122.228 0.20 1 401 . 39 CYS H H 8.760 0.02 1 402 . 39 CYS HA H 5.011 0.02 1 403 . 39 CYS HB2 H 2.555 0.02 1 404 . 39 CYS HB3 H 3.242 0.02 1 405 . 39 CYS HG H 2.071 0.02 1 406 . 39 CYS CA C 58.819 0.20 1 407 . 39 CYS CB C 32.479 0.20 1 408 . 39 CYS N N 118.176 0.20 1 409 . 40 GLY H H 8.175 0.02 1 410 . 40 GLY HA2 H 3.898 0.02 1 411 . 40 GLY HA3 H 4.197 0.02 1 412 . 40 GLY CA C 46.209 0.20 1 413 . 40 GLY N N 113.942 0.20 1 414 . 41 LYS H H 8.386 0.02 1 415 . 41 LYS HA H 4.286 0.02 1 416 . 41 LYS HB2 H 1.773 0.02 1 417 . 41 LYS HB3 H 1.773 0.02 1 418 . 41 LYS HG2 H 1.482 0.02 1 419 . 41 LYS HG3 H 1.671 0.02 1 420 . 41 LYS HD2 H 1.740 0.02 1 421 . 41 LYS HD3 H 1.740 0.02 1 422 . 41 LYS HE2 H 3.027 0.02 1 423 . 41 LYS HE3 H 3.027 0.02 1 424 . 41 LYS CA C 57.057 0.20 1 425 . 41 LYS CB C 33.570 0.20 1 426 . 41 LYS CG C 26.093 0.20 1 427 . 41 LYS CD C 29.187 0.20 1 428 . 41 LYS CE C 42.334 0.20 1 429 . 41 LYS N N 122.228 0.20 1 430 . 42 GLU H H 8.570 0.02 1 431 . 42 GLU HA H 4.199 0.02 1 432 . 42 GLU HB2 H 1.875 0.02 1 433 . 42 GLU HB3 H 1.875 0.02 1 434 . 42 GLU HG2 H 2.071 0.02 1 435 . 42 GLU HG3 H 2.256 0.02 1 436 . 42 GLU CA C 56.672 0.20 1 437 . 42 GLU CB C 30.646 0.20 1 438 . 42 GLU CG C 37.230 0.20 1 439 . 42 GLU N N 119.335 0.20 1 440 . 43 GLY H H 8.770 0.02 1 441 . 43 GLY HA2 H 3.623 0.02 1 442 . 43 GLY HA3 H 4.320 0.02 1 443 . 43 GLY CA C 45.438 0.20 1 444 . 43 GLY N N 108.036 0.20 1 445 . 44 HIS H H 7.051 0.02 1 446 . 44 HIS HA H 4.656 0.02 1 447 . 44 HIS HB2 H 3.124 0.02 1 448 . 44 HIS HB3 H 3.124 0.02 1 449 . 44 HIS HD2 H 6.921 0.02 1 450 . 44 HIS HE1 H 7.456 0.02 1 451 . 44 HIS CA C 55.640 0.20 1 452 . 44 HIS CB C 30.276 0.20 1 453 . 44 HIS CD2 C 127.110 0.20 1 454 . 44 HIS CE1 C 137.448 0.20 1 455 . 44 HIS N N 112.395 0.20 1 456 . 45 GLN H H 8.740 0.02 1 457 . 45 GLN HA H 4.264 0.02 1 458 . 45 GLN HB2 H 1.871 0.02 1 459 . 45 GLN HB3 H 1.579 0.02 1 460 . 45 GLN HG2 H 1.124 0.02 1 461 . 45 GLN HG3 H 1.124 0.02 1 462 . 45 GLN HE21 H 6.221 0.02 1 463 . 45 GLN HE22 H 6.755 0.02 1 464 . 45 GLN CA C 53.897 0.20 1 465 . 45 GLN CB C 31.105 0.20 1 466 . 45 GLN CG C 33.928 0.20 1 467 . 45 GLN N N 117.714 0.20 1 468 . 45 GLN NE2 N 110.778 0.20 1 469 . 46 MET H H 9.499 0.02 1 470 . 46 MET HA H 4.677 0.02 1 471 . 46 MET HB2 H 2.366 0.02 1 472 . 46 MET HB3 H 2.366 0.02 1 473 . 46 MET HG2 H 2.373 0.02 1 474 . 46 MET HG3 H 2.745 0.02 1 475 . 46 MET HE H 2.257 0.02 1 476 . 46 MET CA C 60.783 0.20 1 477 . 46 MET CB C 32.520 0.20 1 478 . 46 MET CG C 32.538 0.20 1 479 . 46 MET CE C 17.989 0.20 1 480 . 46 MET N N 123.487 0.20 1 481 . 47 LYS H H 8.980 0.02 1 482 . 47 LYS HA H 4.142 0.02 1 483 . 47 LYS HB2 H 1.763 0.02 1 484 . 47 LYS HB3 H 1.763 0.02 1 485 . 47 LYS HG2 H 1.255 0.02 1 486 . 47 LYS HG3 H 1.255 0.02 1 487 . 47 LYS HD2 H 1.651 0.02 1 488 . 47 LYS HD3 H 1.651 0.02 1 489 . 47 LYS HE2 H 2.972 0.02 1 490 . 47 LYS HE3 H 2.972 0.02 1 491 . 47 LYS CA C 58.712 0.20 1 492 . 47 LYS CB C 31.341 0.20 1 493 . 47 LYS CG C 23.473 0.20 1 494 . 47 LYS CD C 29.087 0.20 1 495 . 47 LYS CE C 41.752 0.20 1 496 . 47 LYS N N 119.117 0.20 1 497 . 48 ASP H H 7.916 0.02 1 498 . 48 ASP HA H 4.901 0.02 1 499 . 48 ASP HB2 H 2.921 0.02 1 500 . 48 ASP HB3 H 2.458 0.02 1 501 . 48 ASP CA C 53.571 0.20 1 502 . 48 ASP CB C 42.910 0.20 1 503 . 48 ASP N N 117.588 0.20 1 504 . 49 CYS H H 7.735 0.02 1 505 . 49 CYS HA H 3.722 0.02 1 506 . 49 CYS HB2 H 3.328 0.02 1 507 . 49 CYS HB3 H 2.953 0.02 1 508 . 49 CYS CA C 42.952 0.20 1 509 . 49 CYS CB C 30.923 0.20 1 510 . 49 CYS N N 124.318 0.20 1 511 . 50 THR H H 8.153 0.02 1 512 . 50 THR HA H 4.381 0.02 1 513 . 50 THR HB H 4.441 0.02 1 514 . 50 THR HG2 H 1.093 0.02 1 515 . 50 THR CA C 61.712 0.20 1 516 . 50 THR CB C 49.285 0.20 1 517 . 50 THR CG2 C 21.354 0.20 1 518 . 50 THR N N 120.114 0.20 1 519 . 51 GLU H H 8.788 0.02 1 520 . 51 GLU HA H 4.219 0.02 1 521 . 51 GLU HB2 H 1.991 0.02 1 522 . 51 GLU HB3 H 1.991 0.02 1 523 . 51 GLU HG2 H 2.264 0.02 1 524 . 51 GLU HG3 H 2.449 0.02 1 525 . 51 GLU CA C 56.907 0.20 1 526 . 51 GLU CB C 29.849 0.20 1 527 . 51 GLU CG C 36.386 0.20 1 528 . 51 GLU N N 125.636 0.20 1 529 . 52 ARG H H 8.294 0.02 1 530 . 52 ARG HA H 4.294 0.02 1 531 . 52 ARG HB2 H 1.761 0.02 1 532 . 52 ARG HB3 H 1.761 0.02 1 533 . 52 ARG HG2 H 1.581 0.02 1 534 . 52 ARG HG3 H 1.581 0.02 1 535 . 52 ARG HD2 H 3.155 0.02 1 536 . 52 ARG HD3 H 3.155 0.02 1 537 . 52 ARG CA C 55.928 0.20 1 538 . 52 ARG CB C 30.839 0.20 1 539 . 52 ARG CG C 27.053 0.20 1 540 . 52 ARG CD C 43.263 0.20 1 541 . 52 ARG N N 122.155 0.20 1 542 . 53 GLN H H 8.411 0.02 1 543 . 53 GLN HA H 4.287 0.02 1 544 . 53 GLN HB2 H 1.995 0.02 1 545 . 53 GLN HB3 H 1.995 0.02 1 546 . 53 GLN HG2 H 2.356 0.02 1 547 . 53 GLN HG3 H 2.356 0.02 1 548 . 53 GLN CA C 55.729 0.20 1 549 . 53 GLN CB C 29.553 0.20 1 550 . 53 GLN CG C 33.905 0.20 1 551 . 53 GLN N N 121.611 0.20 1 552 . 54 ALA H H 8.383 0.02 1 553 . 54 ALA HA H 4.339 0.02 1 554 . 54 ALA HB H 1.377 0.02 1 555 . 54 ALA CA C 52.355 0.20 1 556 . 54 ALA CB C 39.509 0.20 1 557 . 54 ALA N N 126.429 0.20 1 558 . 55 ASN H H 8.010 0.02 1 559 . 55 ASN HA H 4.462 0.02 1 560 . 55 ASN HB2 H 2.641 0.02 1 561 . 55 ASN HB3 H 2.641 0.02 1 562 . 55 ASN CA C 54.710 0.20 1 563 . 55 ASN CB C 40.357 0.20 1 564 . 55 ASN ND2 N 123.718 0.20 1 stop_ save_ save_NCSL2_RNA _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D NOESY' '2D TOCSY' stop_ _Sample_conditions_label $Ex-cond-1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'SL2 RNA' _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 H8 H 8.170 0.02 1 2 . 1 G C8 C 139.129 0.20 1 3 . 1 G H1' H 5.807 0.02 1 4 . 1 G H2' H 4.923 0.02 1 5 . 1 G H3' H 4.710 0.02 1 6 . 1 G H4' H 4.509 0.02 1 7 . 1 G H5' H 4.058 0.02 2 8 . 1 G H5'' H 4.221 0.02 2 9 . 1 G C1' C 91.661 0.20 1 10 . 1 G C2' C 75.066 0.20 1 11 . 1 G C3' C 74.545 0.20 1 12 . 1 G C4' C 83.955 0.20 1 13 . 1 G C5' C 65.418 0.20 1 14 . 2 G H8 H 7.596 0.02 1 15 . 2 G C8 C 136.696 0.20 1 16 . 2 G H1' H 5.916 0.02 1 17 . 2 G H4' H 4.542 0.02 1 18 . 2 G C1' C 93.019 0.20 1 19 . 2 G C4' C 82.414 0.20 1 20 . 3 C H5 H 5.230 0.02 1 21 . 3 C H6 H 7.580 0.02 1 22 . 3 C C5 C 97.414 0.20 1 23 . 3 C C6 C 140.463 0.20 1 24 . 3 C H1' H 5.576 0.02 1 25 . 3 C H3' H 4.577 0.02 1 26 . 3 C H4' H 4.420 0.02 1 27 . 3 C H5' H 4.081 0.02 1 28 . 3 C C1' C 94.016 0.20 1 29 . 3 C C3' C 72.985 0.20 1 30 . 3 C C4' C 81.848 0.20 1 31 . 3 C C5' C 64.599 0.20 1 32 . 4 G H8 H 7.477 0.02 1 33 . 4 G C8 C 136.206 0.20 1 34 . 4 G H1' H 7.618 0.02 1 35 . 4 G H2' H 4.505 0.02 1 36 . 4 G H4' H 4.512 0.02 1 37 . 4 G C2' C 73.582 0.20 1 38 . 4 G C4' C 82.179 0.20 1 39 . 5 A H2 H 7.696 0.02 1 40 . 5 A H8 H 7.849 0.02 1 41 . 5 A C2 C 154.264 0.20 1 42 . 5 A C8 C 139.298 0.20 1 43 . 5 A H1' H 5.917 0.02 1 44 . 5 A C1' C 92.969 0.20 1 45 . 6 C H5 H 5.212 0.02 1 46 . 6 C H6 H 7.555 0.02 1 47 . 6 C C5 C 97.316 0.20 1 48 . 6 C C6 C 140.579 0.20 1 49 . 6 C H1' H 5.417 0.02 1 50 . 6 C H3' H 4.386 0.02 1 51 . 6 C H4' H 4.354 0.02 1 52 . 6 C C1' C 93.519 0.20 1 53 . 6 C C3' C 64.599 0.20 1 54 . 6 C C4' C 81.818 0.20 1 55 . 7 U H5 H 5.367 0.02 1 56 . 7 U H6 H 7.783 0.02 1 57 . 7 U C5 C 103.867 0.20 1 58 . 7 U C6 C 141.210 0.20 1 59 . 7 U H1' H 5.638 0.02 1 60 . 7 U H2' H 4.543 0.02 1 61 . 7 U C1' C 93.315 0.20 1 62 . 7 U C2' C 75.354 0.20 1 63 . 8 G H8 H 7.630 0.02 1 64 . 8 G C8 C 137.423 0.20 1 65 . 8 G H1' H 5.693 0.02 1 66 . 8 G H2' H 3.928 0.02 1 67 . 8 G H3' H 4.503 0.02 1 68 . 8 G H4' H 4.355 0.02 1 69 . 8 G H5' H 4.568 0.02 1 70 . 8 G H5'' H 4.077 0.02 1 71 . 8 G C1' C 92.927 0.20 1 72 . 8 G C2' C 76.595 0.20 1 73 . 8 G C3' C 73.605 0.20 1 74 . 8 G C4' C 82.653 0.20 1 75 . 8 G C5' C 64.468 0.20 1 76 . 9 G H8 H 7.614 0.02 1 77 . 9 G C8 C 139.047 0.20 1 78 . 9 G H1' H 5.748 0.02 1 79 . 9 G H2' H 4.498 0.02 1 80 . 9 G H3' H 4.496 0.02 1 81 . 9 G H4' H 2.660 0.02 1 82 . 9 G H5' H 2.981 0.02 1 83 . 9 G H5'' H 2.927 0.02 1 84 . 9 G C1' C 87.443 0.20 1 85 . 9 G C2' C 76.813 0.20 1 86 . 9 G C3' C 80.646 0.20 1 87 . 9 G C4' C 86.542 0.20 1 88 . 9 G C5' C 67.467 0.20 1 89 . 10 U H5 H 6.298 0.02 1 90 . 10 U H6 H 7.916 0.02 1 91 . 10 U C5 C 106.702 0.20 1 92 . 10 U C6 C 142.724 0.20 1 93 . 10 U H1' H 6.173 0.02 1 94 . 10 U H2' H 4.348 0.02 1 95 . 10 U H3' H 4.782 0.02 1 96 . 10 U H4' H 4.118 0.02 1 97 . 10 U H5' H 3.929 0.02 1 98 . 10 U H5'' H 3.930 0.02 1 99 . 10 U C1' C 89.449 0.20 1 100 . 10 U C2' C 77.469 0.20 1 101 . 10 U C3' C 80.133 0.20 1 102 . 10 U C4' C 85.745 0.20 1 103 . 10 U C5' C 67.755 0.20 1 104 . 11 G H8 H 8.328 0.02 1 105 . 11 G C8 C 140.198 0.20 1 106 . 11 G H1' H 6.116 0.02 1 107 . 11 G H2' H 5.126 0.02 1 108 . 11 G H3' H 5.069 0.02 1 109 . 11 G H4' H 4.841 0.02 1 110 . 11 G H5' H 4.249 0.02 1 111 . 11 G H5'' H 3.997 0.02 1 112 . 11 G C1' C 87.552 0.20 1 113 . 11 G C2' C 75.376 0.20 1 114 . 11 G C3' C 79.486 0.20 1 115 . 11 G C4' C 86.861 0.20 1 116 . 11 G C5' C 69.172 0.20 1 117 . 12 A H2 H 7.584 0.02 1 118 . 12 A H8 H 8.653 0.02 1 119 . 12 A C2 C 153.023 0.20 1 120 . 12 A C8 C 141.359 0.20 1 121 . 12 A H1' H 6.210 0.02 1 122 . 12 A H2' H 4.979 0.02 1 123 . 12 A H3' H 4.711 0.02 1 124 . 12 A H4' H 4.631 0.02 1 125 . 12 A C1' C 92.732 0.20 1 126 . 12 A C2' C 75.663 0.20 1 127 . 12 A C3' C 74.516 0.20 1 128 . 12 A C4' C 82.661 0.20 1 129 . 13 G H8 H 7.266 0.02 1 130 . 13 G C8 C 136.529 0.20 1 131 . 13 G H1' H 5.557 0.02 1 132 . 13 G H2' H 4.512 0.02 1 133 . 13 G H3' H 4.407 0.02 1 134 . 13 G H4' H 4.514 0.02 1 135 . 13 G C1' C 93.304 0.20 1 136 . 13 G C2' C 75.155 0.20 1 137 . 13 G C3' C 73.762 0.20 1 138 . 13 G C4' C 82.882 0.20 1 139 . 14 U H5 H 5.149 0.02 1 140 . 14 U H6 H 7.688 0.02 1 141 . 14 U C5 C 103.678 0.20 1 142 . 14 U C6 C 142.166 0.20 1 143 . 14 U H1' H 5.880 0.02 1 144 . 14 U H2' H 4.297 0.02 1 145 . 14 U H3' H 4.660 0.02 1 146 . 14 U H4' H 4.486 0.02 1 147 . 14 U C1' C 91.656 0.20 1 148 . 14 U C2' C 76.369 0.20 1 149 . 14 U C3' C 75.485 0.20 1 150 . 14 U C4' C 84.367 0.20 1 151 . 15 A H2 H 8.016 0.02 1 152 . 15 A H8 H 8.393 0.02 1 153 . 15 A C2 C 155.399 0.20 1 154 . 15 A C8 C 141.795 0.20 1 155 . 15 A H1' H 6.113 0.02 1 156 . 15 A H2' H 4.752 0.02 1 157 . 15 A H3' H 4.833 0.02 1 158 . 15 A H4' H 4.571 0.02 1 159 . 15 A H5' H 4.212 0.02 1 160 . 15 A C1' C 90.375 0.20 1 161 . 15 A C2' C 76.156 0.20 1 162 . 15 A C3' C 75.979 0.20 1 163 . 15 A C4' C 84.785 0.20 1 164 . 15 A C5' C 67.005 0.20 1 165 . 16 C H5 H 5.640 0.02 1 166 . 16 C H6 H 7.701 0.02 1 167 . 16 C C5 C 98.405 0.02 1 168 . 16 C C6 C 142.183 0.02 1 169 . 16 C H1' H 5.562 0.02 1 170 . 16 C H3' H 4.498 0.02 1 171 . 16 C C1' C 93.940 0.20 1 172 . 16 C C3' C 74.207 0.20 1 173 . 17 G H8 H 7.725 0.02 1 174 . 17 G C8 C 136.853 0.20 1 175 . 17 G H4' H 4.495 0.02 1 176 . 17 G H5' H 4.515 0.02 1 177 . 17 G H5'' H 4.165 0.02 1 178 . 17 G C4' C 82.413 0.20 1 179 . 17 G C5' C 65.812 0.20 1 180 . 18 C H5 H 5.211 0.02 1 181 . 18 C H6 H 7.711 0.02 1 182 . 18 C C5 C 96.961 0.20 1 183 . 18 C C6 C 141.354 0.20 1 184 . 18 C H1' H 5.764 0.02 1 185 . 18 C H4' H 4.413 0.02 1 186 . 18 C C1' C 93.174 0.20 1 187 . 18 C C4' C 81.943 0.20 1 188 . 19 C H5 H 5.512 0.02 1 189 . 19 C H6 H 7.675 0.02 1 190 . 19 C C5 C 98.211 0.02 1 191 . 19 C C6 C 141.690 0.02 1 192 . 19 C H1' H 5.763 0.02 1 193 . 19 C H2' H 3.998 0.02 1 194 . 19 C H3' H 4.175 0.02 1 195 . 19 C H4' H 4.165 0.02 1 196 . 19 C H5' H 4.486 0.02 1 197 . 19 C H5'' H 4.032 0.02 1 198 . 19 C C1' C 92.942 0.20 1 199 . 19 C C2' C 77.558 0.20 1 200 . 19 C C3' C 69.650 0.20 1 201 . 19 C C4' C 83.371 0.20 1 202 . 19 C C5' C 65.059 0.20 1 stop_ save_