data_27826 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone chemical shift assignments of RNase H domain bound to YLC2-155 ; _BMRB_accession_number 27826 _BMRB_flat_file_name bmr27826.str _Entry_type original _Submission_date 2019-03-05 _Accession_date 2019-03-05 _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 Xi Zhaoyong . . 2 Ishima Rieko . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 132 "13C chemical shifts" 129 "15N chemical shifts" 132 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-11-22 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 27825 'Backbone chemical shift assignments of RNase H domain bound to ZW566' stop_ _Original_release_date 2019-03-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Determinants of Active-Site Inhibitor Interaction with HIV-1 RNase H ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31577424 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Xi Zhaoyong . . 2 Wang Zhengqiang . . 3 Sarafianos Stefan G. . 4 Myshakina Nataliya S. . 5 Ishima Rieko . . stop_ _Journal_abbreviation 'ACS Infect. Dis.' _Journal_name_full 'ACS infectious diseases' _Journal_volume 5 _Journal_issue 11 _Journal_ISSN 2373-8227 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1963 _Page_last 1974 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name RNH_Mg_YLC2-155 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label HIV-1_RNH $HIV-1_RNH Mg2+ $entity_MG YLC2-155 $entity_Y55 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HIV-1_RNH _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HIV-1_RNH _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 134 _Mol_residue_sequence ; YQLEKEPIIGAETFYVDGAA NRETKLGKAGYVTDRGRQKV VPLTDTTNQKTELQAIHLAL QDSGLEVNIVTDSQYALGII QAQPDKSESELVSQIIEQLI KKEKVYLAWVPAHKGIGGNE QVDKLVSAGIRKVL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 TYR 2 2 GLN 3 3 LEU 4 4 GLU 5 5 LYS 6 6 GLU 7 7 PRO 8 8 ILE 9 9 ILE 10 10 GLY 11 11 ALA 12 12 GLU 13 13 THR 14 14 PHE 15 15 TYR 16 16 VAL 17 17 ASP 18 18 GLY 19 19 ALA 20 20 ALA 21 21 ASN 22 22 ARG 23 23 GLU 24 24 THR 25 25 LYS 26 26 LEU 27 27 GLY 28 28 LYS 29 29 ALA 30 30 GLY 31 31 TYR 32 32 VAL 33 33 THR 34 34 ASP 35 35 ARG 36 36 GLY 37 37 ARG 38 38 GLN 39 39 LYS 40 40 VAL 41 41 VAL 42 42 PRO 43 43 LEU 44 44 THR 45 45 ASP 46 46 THR 47 47 THR 48 48 ASN 49 49 GLN 50 50 LYS 51 51 THR 52 52 GLU 53 53 LEU 54 54 GLN 55 55 ALA 56 56 ILE 57 57 HIS 58 58 LEU 59 59 ALA 60 60 LEU 61 61 GLN 62 62 ASP 63 63 SER 64 64 GLY 65 65 LEU 66 66 GLU 67 67 VAL 68 68 ASN 69 69 ILE 70 70 VAL 71 71 THR 72 72 ASP 73 73 SER 74 74 GLN 75 75 TYR 76 76 ALA 77 77 LEU 78 78 GLY 79 79 ILE 80 80 ILE 81 81 GLN 82 82 ALA 83 83 GLN 84 84 PRO 85 85 ASP 86 86 LYS 87 87 SER 88 88 GLU 89 89 SER 90 90 GLU 91 91 LEU 92 92 VAL 93 93 SER 94 94 GLN 95 95 ILE 96 96 ILE 97 97 GLU 98 98 GLN 99 99 LEU 100 100 ILE 101 101 LYS 102 102 LYS 103 103 GLU 104 104 LYS 105 105 VAL 106 106 TYR 107 107 LEU 108 108 ALA 109 109 TRP 110 110 VAL 111 111 PRO 112 112 ALA 113 113 HIS 114 114 LYS 115 115 GLY 116 116 ILE 117 117 GLY 118 118 GLY 119 119 ASN 120 120 GLU 121 121 GLN 122 122 VAL 123 123 ASP 124 124 LYS 125 125 LEU 126 126 VAL 127 127 SER 128 128 ALA 129 129 GLY 130 130 ILE 131 131 ARG 132 132 LYS 133 133 VAL 134 134 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_MG _Saveframe_category ligand _Mol_type NON-POLYMER _Name_common 'MAGNESIUM ION' _BMRB_code MG _PDB_code MG _Molecular_mass 24.305 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons MG MG MG . 2 . ? stop_ save_ save_Y55 _Saveframe_category ligand _Mol_type NON-POLYMER _Name_common 7-(furan-2-yl)-2-hydroxyisoquinoline-1,3(2H,4H)-dione _BMRB_code Y55 _PDB_code Y55 _Molecular_mass 243.215 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? C1 C1 C . 0 . ? C10 C10 C . 0 . ? C11 C11 C . 0 . ? C12 C12 C . 0 . ? C13 C13 C . 0 . ? C2 C2 C . 0 . ? C3 C3 C . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? C7 C7 C . 0 . ? C8 C8 C . 0 . ? C9 C9 C . 0 . ? O1 O1 O . 0 . ? O2 O2 O . 0 . ? O3 O3 O . 0 . ? O4 O4 O . 0 . ? H1 H1 H . 0 . ? H2 H2 H . 0 . ? H3 H3 H . 0 . ? H4 H4 H . 0 . ? H5 H5 H . 0 . ? H6 H6 H . 0 . ? H7 H7 H . 0 . ? H8 H8 H . 0 . ? H9 H9 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING C12 C11 ? ? DOUB C12 C13 ? ? DOUB C11 C10 ? ? SING C13 O4 ? ? SING C10 O4 ? ? SING C10 C7 ? ? DOUB C8 C7 ? ? SING C8 C9 ? ? SING C7 C6 ? ? DOUB C9 C3 ? ? DOUB C6 C2 ? ? SING C3 C2 ? ? SING C3 C4 ? ? SING C2 C1 ? ? SING C4 C5 ? ? DOUB C1 O1 ? ? SING C1 N ? ? SING C5 N ? ? DOUB C5 O2 ? ? SING N O3 ? ? SING C11 H1 ? ? SING C12 H2 ? ? SING C13 H3 ? ? SING C4 H4 ? ? SING C4 H5 ? ? SING C6 H6 ? ? SING C8 H7 ? ? SING C9 H8 ? ? SING O3 H9 ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HIV-1_RNH HIV-1 11676 Viruses . Lentivirus HIV-1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $HIV-1_RNH 'recombinant technology' . Escherichia coli . pET stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HIV-1_RNH 0.1 mM '[U-100% 13C; U-100% 15N]' $entity_Y55 0.4 mM 'natural abundance' $entity_MG 20 mM 'natural abundance' 'sodium chloride' 10 mM 'natural abundance' Bis-Tris 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version . loop_ _Vendor _Address _Electronic_address 'Vranken, W.F. et al.' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.07 . M pH 7.0 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name HIV-1_RNH _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 1 TYR CA C 56.375 0.000 1 2 2 2 GLN H H 8.474 0.002 1 3 2 2 GLN CA C 54.347 0.000 1 4 2 2 GLN N N 120.635 0.005 1 5 3 3 LEU H H 8.616 0.002 1 6 3 3 LEU CA C 53.947 0.000 1 7 3 3 LEU N N 125.405 0.002 1 8 4 4 GLU H H 9.069 0.002 1 9 4 4 GLU CA C 55.563 0.021 1 10 4 4 GLU N N 122.933 0.009 1 11 5 5 LYS H H 8.929 0.001 1 12 5 5 LYS CA C 56.876 0.026 1 13 5 5 LYS N N 119.261 0.016 1 14 6 6 GLU H H 7.533 0.003 1 15 6 6 GLU CA C 53.121 0.000 1 16 6 6 GLU N N 118.147 0.021 1 17 7 7 PRO CA C 62.153 0.000 1 18 8 8 ILE H H 9.236 0.001 1 19 8 8 ILE CA C 60.867 0.032 1 20 8 8 ILE N N 124.376 0.023 1 21 9 9 ILE H H 8.631 0.002 1 22 9 9 ILE CA C 62.749 0.058 1 23 9 9 ILE N N 132.013 0.003 1 24 10 10 GLY H H 8.933 0.008 1 25 10 10 GLY CA C 45.036 0.003 1 26 10 10 GLY N N 115.277 0.076 1 27 11 11 ALA H H 7.125 0.001 1 28 11 11 ALA CA C 50.447 0.006 1 29 11 11 ALA N N 122.182 0.012 1 30 12 12 GLU H H 8.880 0.001 1 31 12 12 GLU CA C 57.461 0.018 1 32 12 12 GLU N N 125.994 0.015 1 33 13 13 THR H H 9.151 0.002 1 34 13 13 THR CA C 61.952 0.039 1 35 13 13 THR N N 123.116 0.016 1 36 14 14 PHE H H 9.442 0.002 1 37 14 14 PHE CA C 55.948 0.012 1 38 14 14 PHE N N 127.001 0.012 1 39 15 15 TYR H H 9.412 0.001 1 40 15 15 TYR CA C 57.596 0.067 1 41 15 15 TYR N N 124.440 0.005 1 42 16 16 VAL H H 7.952 0.002 1 43 16 16 VAL CA C 58.406 0.003 1 44 16 16 VAL N N 113.711 0.156 1 45 17 17 ASP H H 8.303 0.003 1 46 17 17 ASP CA C 54.599 0.017 1 47 17 17 ASP N N 116.221 0.006 1 48 18 18 GLY H H 7.589 0.002 1 49 18 18 GLY CA C 43.771 0.000 1 50 18 18 GLY N N 104.351 0.008 1 51 19 19 ALA H H 8.575 0.005 1 52 19 19 ALA CA C 52.116 0.001 1 53 19 19 ALA N N 122.792 0.007 1 54 20 20 ALA H H 8.296 0.000 1 55 20 20 ALA CA C 50.541 0.000 1 56 20 20 ALA N N 120.422 0.000 1 57 21 21 ASN H H 8.676 0.002 1 58 21 21 ASN CA C 52.138 0.000 1 59 21 21 ASN N N 121.440 0.004 1 60 23 23 GLU H H 8.365 0.002 1 61 23 23 GLU CA C 58.959 0.029 1 62 23 23 GLU N N 117.668 0.011 1 63 24 24 THR H H 8.107 0.001 1 64 24 24 THR CA C 61.888 0.013 1 65 24 24 THR N N 108.086 0.017 1 66 25 25 LYS H H 8.087 0.003 1 67 25 25 LYS CA C 58.145 0.058 1 68 25 25 LYS N N 115.629 0.007 1 69 26 26 LEU H H 7.443 0.003 1 70 26 26 LEU CA C 54.112 0.004 1 71 26 26 LEU N N 117.521 0.041 1 72 27 27 GLY H H 8.239 0.002 1 73 27 27 GLY CA C 46.065 0.002 1 74 27 27 GLY N N 105.418 0.038 1 75 28 28 LYS H H 9.170 0.003 1 76 28 28 LYS CA C 55.944 0.000 1 77 28 28 LYS N N 119.788 0.002 1 78 29 29 ALA H H 8.317 0.000 1 79 29 29 ALA CA C 50.170 0.000 1 80 29 29 ALA N N 120.283 0.000 1 81 30 30 GLY H H 8.277 0.003 1 82 30 30 GLY CA C 47.090 0.013 1 83 30 30 GLY N N 105.897 0.040 1 84 31 31 TYR H H 8.432 0.002 1 85 31 31 TYR CA C 55.338 0.013 1 86 31 31 TYR N N 110.651 0.007 1 87 32 32 VAL H H 8.943 0.001 1 88 32 32 VAL CA C 61.040 0.005 1 89 32 32 VAL N N 113.929 0.037 1 90 33 33 THR H H 9.023 0.002 1 91 33 33 THR CA C 57.409 0.008 1 92 33 33 THR N N 114.261 0.018 1 93 34 34 ASP H H 9.207 0.001 1 94 34 34 ASP CA C 54.640 0.000 1 95 34 34 ASP N N 120.690 0.033 1 96 35 35 ARG H H 8.119 0.000 1 97 35 35 ARG CA C 55.197 0.026 1 98 35 35 ARG N N 118.429 0.009 1 99 36 36 GLY H H 7.913 0.002 1 100 36 36 GLY CA C 45.758 0.009 1 101 36 36 GLY N N 107.809 0.002 1 102 37 37 ARG H H 7.273 0.003 1 103 37 37 ARG CA C 56.153 0.033 1 104 37 37 ARG N N 117.804 0.032 1 105 38 38 GLN H H 8.516 0.002 1 106 38 38 GLN CA C 54.725 0.011 1 107 38 38 GLN N N 116.705 0.009 1 108 39 39 LYS H H 7.915 0.004 1 109 39 39 LYS CA C 56.731 0.000 1 110 39 39 LYS N N 122.533 0.016 1 111 40 40 VAL H H 8.181 0.003 1 112 40 40 VAL CA C 60.074 0.009 1 113 40 40 VAL N N 122.615 0.018 1 114 41 41 VAL H H 9.252 0.001 1 115 41 41 VAL CA C 57.449 0.000 1 116 41 41 VAL N N 123.902 0.018 1 117 42 42 PRO CA C 61.831 0.000 1 118 43 43 LEU H H 8.512 0.000 1 119 43 43 LEU CA C 53.790 0.009 1 120 43 43 LEU N N 121.931 0.036 1 121 44 44 THR H H 8.202 0.001 1 122 44 44 THR CA C 60.099 0.028 1 123 44 44 THR N N 112.617 0.005 1 124 45 45 ASP H H 8.556 0.002 1 125 45 45 ASP CA C 55.112 0.016 1 126 45 45 ASP N N 122.352 0.024 1 127 46 46 THR H H 9.034 0.003 1 128 46 46 THR CA C 59.904 0.060 1 129 46 46 THR N N 114.764 0.025 1 130 47 47 THR H H 8.150 0.005 1 131 47 47 THR CA C 58.526 0.000 1 132 47 47 THR N N 109.469 0.024 1 133 50 50 LYS H H 7.466 0.002 1 134 50 50 LYS CA C 60.777 0.063 1 135 50 50 LYS N N 117.934 0.031 1 136 51 51 THR H H 8.420 0.005 1 137 51 51 THR CA C 66.360 0.013 1 138 51 51 THR N N 110.307 0.020 1 139 52 52 GLU H H 7.270 0.005 1 140 52 52 GLU CA C 58.844 0.034 1 141 52 52 GLU N N 121.478 0.038 1 142 53 53 LEU H H 7.436 0.001 1 143 53 53 LEU CA C 57.665 0.000 1 144 53 53 LEU N N 118.680 0.023 1 145 54 54 GLN H H 8.981 0.000 1 146 54 54 GLN CA C 58.783 0.016 1 147 54 54 GLN N N 119.675 0.010 1 148 55 55 ALA H H 8.311 0.001 1 149 55 55 ALA CA C 55.880 0.040 1 150 55 55 ALA N N 122.775 0.012 1 151 56 56 ILE H H 7.240 0.004 1 152 56 56 ILE CA C 66.187 0.012 1 153 56 56 ILE N N 116.866 0.007 1 154 57 57 HIS H H 8.308 0.002 1 155 57 57 HIS CA C 60.848 0.000 1 156 57 57 HIS N N 119.217 0.007 1 157 58 58 LEU H H 8.174 0.003 1 158 58 58 LEU CA C 57.783 0.004 1 159 58 58 LEU N N 119.122 0.114 1 160 59 59 ALA H H 7.683 0.003 1 161 59 59 ALA CA C 53.897 0.008 1 162 59 59 ALA N N 118.587 0.026 1 163 60 60 LEU H H 7.937 0.001 1 164 60 60 LEU CA C 57.571 0.007 1 165 60 60 LEU N N 116.608 0.020 1 166 61 61 GLN H H 8.148 0.001 1 167 61 61 GLN CA C 59.024 0.010 1 168 61 61 GLN N N 117.977 0.023 1 169 62 62 ASP H H 7.416 0.003 1 170 62 62 ASP CA C 54.535 0.054 1 171 62 62 ASP N N 115.917 0.022 1 172 63 63 SER H H 7.071 0.001 1 173 63 63 SER CA C 56.055 0.008 1 174 63 63 SER N N 113.291 0.036 1 175 64 64 GLY H H 8.308 0.000 1 176 64 64 GLY CA C 43.852 0.014 1 177 64 64 GLY N N 105.105 0.003 1 178 65 65 LEU H H 8.398 0.001 1 179 65 65 LEU CA C 57.726 0.037 1 180 65 65 LEU N N 118.053 0.009 1 181 66 66 GLU H H 7.579 0.002 1 182 66 66 GLU CA C 53.696 0.002 1 183 66 66 GLU N N 115.663 0.023 1 184 67 67 VAL H H 8.074 0.001 1 185 67 67 VAL CA C 61.117 0.005 1 186 67 67 VAL N N 119.547 0.008 1 187 68 68 ASN H H 7.868 0.005 1 188 68 68 ASN CA C 51.923 0.009 1 189 68 68 ASN N N 123.659 0.019 1 190 69 69 ILE H H 9.713 0.002 1 191 69 69 ILE CA C 60.642 0.000 1 192 69 69 ILE N N 124.842 0.016 1 193 70 70 VAL H H 8.896 0.002 1 194 70 70 VAL CA C 61.106 0.000 1 195 70 70 VAL N N 127.050 0.019 1 196 71 71 THR H H 9.094 0.001 1 197 71 71 THR CA C 57.603 0.000 1 198 71 71 THR N N 124.796 0.011 1 199 72 72 ASP H H 10.633 0.004 1 200 72 72 ASP CA C 52.609 0.058 1 201 72 72 ASP N N 124.866 0.023 1 202 73 73 SER H H 9.045 0.002 1 203 73 73 SER CA C 56.392 0.011 1 204 73 73 SER N N 119.122 0.088 1 205 74 74 GLN H H 9.204 0.001 1 206 74 74 GLN CA C 59.404 0.003 1 207 74 74 GLN N N 131.041 0.014 1 208 75 75 TYR H H 8.358 0.003 1 209 75 75 TYR CA C 60.397 0.003 1 210 75 75 TYR N N 121.040 0.020 1 211 76 76 ALA H H 8.324 0.001 1 212 76 76 ALA CA C 54.754 0.017 1 213 76 76 ALA N N 122.243 0.062 1 214 77 77 LEU H H 7.711 0.002 1 215 77 77 LEU CA C 58.231 0.006 1 216 77 77 LEU N N 115.474 0.010 1 217 78 78 GLY H H 7.988 0.002 1 218 78 78 GLY CA C 46.790 0.019 1 219 78 78 GLY N N 104.053 0.048 1 220 79 79 ILE H H 7.349 0.002 1 221 79 79 ILE CA C 62.647 0.011 1 222 79 79 ILE N N 120.893 0.037 1 223 80 80 ILE H H 7.302 0.007 1 224 80 80 ILE CA C 64.003 0.039 1 225 80 80 ILE N N 117.240 0.022 1 226 81 81 GLN H H 8.431 0.009 1 227 81 81 GLN CA C 57.956 0.000 1 228 81 81 GLN N N 117.602 0.010 1 229 82 82 ALA H H 7.185 0.002 1 230 82 82 ALA CA C 52.754 0.003 1 231 82 82 ALA N N 120.087 0.020 1 232 83 83 GLN H H 8.034 0.002 1 233 83 83 GLN CA C 55.488 0.000 1 234 83 83 GLN N N 115.140 0.014 1 235 84 84 PRO CA C 63.091 0.000 1 236 85 85 ASP H H 8.489 0.001 1 237 85 85 ASP CA C 54.302 0.021 1 238 85 85 ASP N N 118.715 0.009 1 239 86 86 LYS H H 7.968 0.001 1 240 86 86 LYS CA C 55.777 0.012 1 241 86 86 LYS N N 118.877 0.024 1 242 87 87 SER H H 8.404 0.001 1 243 87 87 SER CA C 58.438 0.028 1 244 87 87 SER N N 114.145 0.004 1 245 88 88 GLU H H 8.521 0.003 1 246 88 88 GLU CA C 57.007 0.000 1 247 88 88 GLU N N 123.787 0.016 1 248 89 89 SER H H 8.076 0.000 1 249 89 89 SER CA C 57.247 0.000 1 250 89 89 SER N N 114.079 0.002 1 251 90 90 GLU CA C 59.695 0.000 1 252 91 91 LEU H H 7.919 0.004 1 253 91 91 LEU CA C 57.410 0.005 1 254 91 91 LEU N N 120.205 0.153 1 255 92 92 VAL H H 7.612 0.002 1 256 92 92 VAL CA C 67.247 0.036 1 257 92 92 VAL N N 118.231 0.013 1 258 93 93 SER H H 8.206 0.003 1 259 93 93 SER CA C 62.842 0.006 1 260 93 93 SER N N 115.035 0.031 1 261 94 94 GLN H H 7.929 0.001 1 262 94 94 GLN CA C 59.036 0.000 1 263 94 94 GLN N N 121.144 0.033 1 264 95 95 ILE H H 7.917 0.001 1 265 95 95 ILE N N 121.816 0.055 1 266 96 96 ILE H H 8.521 0.002 1 267 96 96 ILE CA C 65.919 0.053 1 268 96 96 ILE N N 121.322 0.008 1 269 97 97 GLU H H 7.780 0.001 1 270 97 97 GLU CA C 59.425 0.016 1 271 97 97 GLU N N 116.658 0.016 1 272 98 98 GLN H H 7.428 0.004 1 273 98 98 GLN CA C 57.582 0.000 1 274 98 98 GLN N N 114.491 0.063 1 275 99 99 LEU H H 8.528 0.000 1 276 99 99 LEU CA C 58.538 0.041 1 277 99 99 LEU N N 121.845 0.004 1 278 100 100 ILE H H 7.818 0.002 1 279 100 100 ILE CA C 64.235 0.010 1 280 100 100 ILE N N 113.436 0.024 1 281 101 101 LYS H H 6.948 0.001 1 282 101 101 LYS CA C 56.794 0.004 1 283 101 101 LYS N N 117.254 0.012 1 284 102 102 LYS H H 7.349 0.001 1 285 102 102 LYS CA C 54.073 0.011 1 286 102 102 LYS N N 116.582 0.036 1 287 103 103 GLU H H 9.131 0.001 1 288 103 103 GLU CA C 58.420 0.026 1 289 103 103 GLU N N 119.774 0.012 1 290 104 104 LYS H H 7.762 0.001 1 291 104 104 LYS CA C 56.025 0.020 1 292 104 104 LYS N N 115.666 0.017 1 293 105 105 VAL H H 8.966 0.002 1 294 105 105 VAL CA C 60.512 0.005 1 295 105 105 VAL N N 121.318 0.016 1 296 106 106 TYR H H 8.590 0.001 1 297 106 106 TYR CA C 56.274 0.032 1 298 106 106 TYR N N 129.526 0.005 1 299 107 107 LEU H H 7.940 0.001 1 300 107 107 LEU CA C 52.677 0.032 1 301 107 107 LEU N N 128.694 0.020 1 302 108 108 ALA H H 8.572 0.002 1 303 108 108 ALA CA C 50.386 0.000 1 304 108 108 ALA N N 125.391 0.017 1 305 109 109 TRP H H 8.341 0.001 1 306 109 109 TRP CA C 55.306 0.024 1 307 109 109 TRP N N 120.237 0.005 1 308 110 110 VAL H H 7.774 0.003 1 309 110 110 VAL CA C 56.411 0.000 1 310 110 110 VAL N N 122.024 0.039 1 311 115 115 GLY H H 8.767 0.001 1 312 115 115 GLY CA C 46.085 0.003 1 313 115 115 GLY N N 109.242 0.046 1 314 116 116 ILE H H 7.575 0.003 1 315 116 116 ILE CA C 61.507 0.001 1 316 116 116 ILE N N 122.016 0.018 1 317 117 117 GLY H H 8.755 0.005 1 318 117 117 GLY CA C 47.884 0.000 1 319 117 117 GLY N N 118.347 0.029 1 320 120 120 GLU CA C 58.412 0.000 1 321 121 121 GLN H H 7.815 0.001 1 322 121 121 GLN CA C 59.326 0.000 1 323 121 121 GLN N N 117.741 0.060 1 324 122 122 VAL H H 7.875 0.006 1 325 122 122 VAL CA C 64.525 0.000 1 326 122 122 VAL N N 118.497 0.012 1 327 123 123 ASP H H 8.151 0.007 1 328 123 123 ASP CA C 58.293 0.005 1 329 123 123 ASP N N 124.617 0.031 1 330 124 124 LYS H H 7.925 0.001 1 331 124 124 LYS CA C 59.859 0.000 1 332 124 124 LYS N N 119.829 0.000 1 333 125 125 LEU H H 7.262 0.005 1 334 125 125 LEU CA C 57.595 0.021 1 335 125 125 LEU N N 118.866 0.037 1 336 126 126 VAL H H 8.053 0.004 1 337 126 126 VAL CA C 62.605 0.037 1 338 126 126 VAL N N 108.754 0.030 1 339 127 127 SER H H 7.591 0.002 1 340 127 127 SER CA C 59.565 0.029 1 341 127 127 SER N N 110.364 0.010 1 342 128 128 ALA H H 6.893 0.004 1 343 128 128 ALA CA C 53.529 0.000 1 344 128 128 ALA N N 126.348 0.027 1 345 129 129 GLY CA C 45.648 0.000 1 346 130 130 ILE H H 7.803 0.001 1 347 130 130 ILE CA C 60.008 0.014 1 348 130 130 ILE N N 120.552 0.041 1 349 131 131 ARG H H 8.156 0.002 1 350 131 131 ARG CA C 55.753 0.006 1 351 131 131 ARG N N 120.322 0.050 1 352 132 132 LYS H H 8.469 0.003 1 353 132 132 LYS CA C 56.650 0.015 1 354 132 132 LYS N N 126.286 0.051 1 355 133 133 VAL H H 8.202 0.004 1 356 133 133 VAL CA C 62.416 0.012 1 357 133 133 VAL N N 122.810 0.047 1 358 134 134 LEU H H 7.909 0.001 1 359 134 134 LEU CA C 56.920 0.000 1 360 134 134 LEU N N 131.784 0.014 1 stop_ save_ save_split_signal _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name HIV-1_RNH _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 4 4 GLU H H 9.041 0.000 1 2 4 4 GLU N N 123.494 0.000 1 3 16 16 VAL H H 7.958 0.000 1 4 16 16 VAL N N 114.000 0.000 1 5 18 18 GLY H H 7.651 0.004 1 6 18 18 GLY CA C 43.698 0.035 1 7 18 18 GLY N N 104.342 0.028 1 8 73 73 SER H H 9.076 0.021 1 9 73 73 SER CA C 56.495 0.000 1 10 73 73 SER N N 119.149 0.010 1 11 104 104 LYS CA C 56.037 0.000 1 12 105 105 VAL H H 8.900 0.001 1 13 105 105 VAL CA C 60.427 0.000 1 14 105 105 VAL N N 121.056 0.059 1 15 107 107 LEU H H 7.913 0.000 1 16 107 107 LEU N N 128.330 0.000 1 17 115 115 GLY H H 8.857 0.001 1 18 115 115 GLY CA C 46.130 0.000 1 19 115 115 GLY N N 109.188 0.031 1 20 116 116 ILE H H 7.598 0.000 1 21 116 116 ILE N N 121.557 0.000 1 22 123 123 ASP H H 8.131 0.000 1 23 123 123 ASP N N 124.748 0.000 1 24 124 124 LYS H H 7.897 0.000 1 25 124 124 LYS N N 119.518 0.000 1 26 125 125 LEU H H 7.280 0.000 1 27 125 125 LEU N N 119.116 0.000 1 28 127 127 SER H H 7.488 0.001 1 29 127 127 SER N N 110.471 0.011 1 30 128 128 ALA H H 6.899 0.000 1 31 128 128 ALA N N 126.080 0.000 1 32 131 131 ARG H H 8.181 0.000 1 33 131 131 ARG N N 120.573 0.000 1 stop_ save_