data_16941 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Recognition of HIV TAR RNA by peptide mimetic of Tat protein ; _BMRB_accession_number 16941 _BMRB_flat_file_name bmr16941.str _Entry_type original _Submission_date 2010-05-20 _Accession_date 2010-05-20 _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 Davidson Amy . . 2 Patora-Komisarska Krystyna . . 3 Robinson John . . 4 Varani Gabriele . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 257 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-01-18 update BMRB 'update entry citation' 2010-08-24 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Essential structural requirements for specific recognition of HIV TAR RNA by peptide mimetics of Tat protein.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20724442 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Davidson Amy . . 2 Patora-Komisarska Krystyna . . 3 Robinson John A. . 4 Varani Gabriele . . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full 'Nucleic acids research' _Journal_volume 39 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 248 _Page_last 256 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 47-MER _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'DNA/RNA (47-MER)' $HIV-1_TAR_KP-Z-41 peptide $peptide 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_TAR_KP-Z-41 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common HIV-1_TAR/KP-Z-41 _Molecular_mass 11193.474 _Mol_thiol_state 'not present' loop_ _Biological_function "located at 5' end of HIV-1 RNA, promotes transcription activation by binding viral protein Tat" stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 29 _Mol_residue_sequence ; GGCAGAUCUGAGCCUGGGAG CUCUCUGCC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 17 G 2 18 G 3 19 C 4 20 A 5 21 G 6 22 A 7 23 U 8 24 C 9 25 U 10 26 G 11 27 A 12 28 G 13 29 C 14 30 C 15 31 U 16 32 G 17 33 G 18 34 G 19 35 A 20 36 G 21 37 C 22 38 U 23 39 C 24 40 U 25 41 C 26 42 U 27 43 G 28 44 C 29 45 C stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_peptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common peptide _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . _Residue_count 18 _Mol_residue_sequence RVRCRQRKGRRICIRIXP loop_ _Residue_seq_code _Residue_label 1 ARG 2 VAL 3 ARG 4 CYS 5 ARG 6 GLN 7 ARG 8 LYS 9 GLY 10 ARG 11 ARG 12 ILE 13 CYS 14 ILE 15 ARG 16 ILE 17 DPR 18 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-23 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 PDB 2KX5 "Recognition Of Hiv Tar Rna By Peptide Mimetic Of Tat Protein" 100.00 18 100.00 100.00 2.48e+00 stop_ save_ ###################### # Polymer residues # ###################### save_chem_comp_DPR _Saveframe_category polymer_residue _Mol_type 'D-PEPTIDE LINKING' _Name_common D-PROLINE _BMRB_code . _PDB_code DPR _Standard_residue_derivative . _Molecular_mass 115.130 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Dec 5 11:24:14 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? CB CB C . 0 . ? CG CG C . 0 . ? CD CD C . 0 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . 0 . ? H H H . 0 . ? HA HA H . 0 . ? HB2 HB2 H . 0 . ? HB3 HB3 H . 0 . ? HG2 HG2 H . 0 . ? HG3 HG3 H . 0 . ? HD2 HD2 H . 0 . ? HD3 HD3 H . 0 . ? HXT HXT 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 N CA ? ? SING N CD ? ? SING N H ? ? SING CA CB ? ? SING CA C ? ? SING CA HA ? ? SING CB CG ? ? SING CB HB2 ? ? SING CB HB3 ? ? SING CG CD ? ? SING CG HG2 ? ? SING CG HG3 ? ? SING CD HD2 ? ? SING CD HD3 ? ? DOUB C O ? ? SING C OXT ? ? SING OXT HXT ? ? stop_ save_ ######################################## # Molecular bond linkage definitions # ######################################## save_crosslink_bonds _Saveframe_category crosslink_bonds loop_ _Bond_order _Bond_type _Atom_one_mol_system_component_name _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_mol_system_component_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name single disulfide peptide 4 CYS SG peptide 13 CYS SG 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_TAR_KP-Z-41 HIV-1 11676 virus . 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_TAR_KP-Z-41 'in vitro transcription' . . . . . 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_TAR_KP-Z-41 1 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HIV-1_TAR_KP-Z-41 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HIV-1_TAR_KP-Z-41 1 mM '[U-98% 13C; U-98% 15N]' D2O 100 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HIV-1_TAR_KP-Z-41 1 mM [U-2H] D2O 100 % 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HIV-1_TAR_KP-Z-41 1 mM '[U-98% 13C; U-98% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' 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_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_COSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $sample_3 save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 save_ save_2D_1H-1H_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_4 save_ save_2D_F1fF2f_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D F1fF2f NOESY' _Sample_label $sample_3 save_ save_2D_F1fF2f_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D F1fF2f NOESY' _Sample_label $sample_5 save_ save_2D_F1fF2f_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D F1fF2f TOCSY' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 277 . K pH 6.6 . pH pressure 1 . atm 'ionic strength' 0.01 . M stop_ save_ save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 . K pH 6.6 . pH pressure 1 . atm 'ionic strength' 0.01 . M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 water H 1 protons ppm 4.7 internal direct . . . 1.0 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRPipe $SPARKY stop_ loop_ _Experiment_label '2D 1H-1H COSY' '2D 1H-1H NOESY' '3D HCCH-TOCSY' '3D 1H-13C NOESY' '2D F1fF2f NOESY' '2D F1fF2f TOCSY' stop_ loop_ _Sample_label $sample_3 $sample_1 $sample_2 $sample_4 $sample_5 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'DNA/RNA (47-MER)' _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 19 3 C H1' H 5.615 0.011 . 2 19 3 C H2' H 4.680 0.019 . 3 19 3 C H5 H 5.324 0.014 1 4 19 3 C H6 H 7.700 0.018 1 5 20 4 A H61 H 7.765 0.012 1 6 20 4 A H1' H 6.062 0.011 . 7 20 4 A H2 H 7.047 0.017 1 8 20 4 A H2' H 4.807 0.016 . 9 20 4 A H8 H 7.966 0.007 1 10 21 5 G H21 H 7.304 0.027 1 11 21 5 G H1 H 12.680 0.030 1 12 21 5 G H1' H 5.571 0.012 . 13 21 5 G H2' H 4.489 0.016 . 14 21 5 G H8 H 6.910 0.003 1 15 22 6 A H61 H 8.212 0.005 1 16 22 6 A H1' H 6.082 0.016 . 17 22 6 A H2 H 7.058 0.023 1 18 22 6 A H2' H 4.302 0.008 . 19 22 6 A H8 H 7.798 0.004 1 20 23 7 U H1' H 5.989 0.003 . 21 23 7 U H2' H 4.852 0.004 . 22 23 7 U H3 H 14.228 0.003 1 23 23 7 U H5 H 5.152 0.003 1 24 23 7 U H6 H 7.912 0.004 1 25 24 8 C H1' H 6.142 0.006 . 26 24 8 C H2' H 4.505 0.006 . 27 24 8 C H5 H 6.174 0.014 1 28 24 8 C H6 H 7.973 0.003 1 29 25 9 U H1' H 6.241 0.006 . 30 25 9 U H2' H 4.579 0.006 . 31 25 9 U H5 H 6.030 0.016 1 32 25 9 U H6 H 8.071 0.004 1 33 26 10 G H21 H 8.204 0.003 1 34 26 10 G H1 H 12.769 0.018 1 35 26 10 G H1' H 6.100 0.005 . 36 26 10 G H2' H 5.176 0.007 . 37 26 10 G H3' H 5.168 0.002 . 38 26 10 G H8 H 7.850 0.002 1 39 27 11 A H1' H 6.111 0.007 . 40 27 11 A H2 H 7.448 0.015 1 41 27 11 A H2' H 4.802 0.008 . 42 27 11 A H8 H 7.989 0.010 1 43 28 12 G H1 H 13.831 0.017 1 44 28 12 G H1' H 6.036 0.006 . 45 28 12 G H2' H 4.700 0.010 . 46 28 12 G H8 H 7.830 0.005 1 47 29 13 C H1' H 5.612 0.004 . 48 29 13 C H2' H 4.419 0.006 . 49 29 13 C H5 H 5.276 0.013 1 50 29 13 C H6 H 7.656 0.013 1 51 30 14 C H1' H 5.798 0.007 . 52 30 14 C H2' H 4.474 0.004 . 53 30 14 C H5 H 5.559 0.003 1 54 30 14 C H6 H 7.715 0.002 1 55 31 15 U H1' H 5.646 0.004 . 56 31 15 U H2' H 4.365 0.007 . 57 31 15 U H6 H 7.818 0.004 1 58 32 16 G H1' H 5.554 0.002 . 59 32 16 G H2' H 4.677 0.000 . 60 32 16 G H8 H 7.839 0.013 1 61 33 17 G H1' H 5.828 0.009 . 62 33 17 G H2' H 4.869 0.000 . 63 33 17 G H8 H 7.891 0.001 1 64 34 18 G H1' H 6.033 0.005 . 65 34 18 G H2' H 5.063 0.006 . 66 34 18 G H8 H 8.089 0.005 1 67 35 19 A H1' H 6.221 0.007 . 68 35 19 A H2 H 8.296 0.002 1 69 35 19 A H2' H 4.939 0.000 . 70 35 19 A H4' H 4.703 0.000 . 71 35 19 A H5' H 4.445 0.000 . 72 35 19 A H5'' H 4.349 0.000 2 73 35 19 A H8 H 8.514 0.006 1 74 36 20 G H1 H 13.285 0.020 1 75 36 20 G H1' H 5.819 0.007 . 76 36 20 G H2' H 4.821 0.025 . 77 36 20 G H8 H 7.877 0.007 1 78 37 21 C H1' H 5.751 0.010 . 79 37 21 C H2' H 4.719 0.008 . 80 37 21 C H5 H 5.320 0.002 1 81 37 21 C H6 H 7.916 0.002 1 82 38 22 U H1' H 5.808 0.016 . 83 38 22 U H2' H 4.865 0.004 . 84 38 22 U H3 H 14.477 0.018 1 85 38 22 U H5 H 5.579 0.014 1 86 38 22 U H6 H 7.837 0.012 1 87 39 23 C H1' H 5.264 0.010 . 88 39 23 C H2' H 4.604 0.006 . 89 39 23 C H3' H 4.044 0.014 . 90 39 23 C H5 H 5.691 0.026 1 91 39 23 C H6 H 7.629 0.021 1 92 40 24 U H1' H 5.587 0.005 . 93 40 24 U H2' H 4.532 0.014 . 94 40 24 U H3 H 14.257 0.011 1 95 40 24 U H5 H 5.537 0.004 1 96 40 24 U H6 H 8.045 0.019 1 97 41 25 C H1' H 5.573 0.011 . 98 41 25 C H2' H 4.309 0.007 . 99 41 25 C H5 H 5.774 0.010 1 100 41 25 C H6 H 7.994 0.024 1 101 42 26 U H1' H 5.547 0.008 . 102 42 26 U H2' H 4.654 0.022 . 103 42 26 U H3 H 13.422 0.016 1 104 42 26 U H5 H 5.419 0.006 1 105 42 26 U H6 H 7.948 0.023 1 106 43 27 G H1 H 12.553 0.020 1 107 43 27 G H1' H 5.893 0.007 . 108 43 27 G H2' H 4.575 0.014 . 109 43 27 G H3' H 4.696 0.005 . 110 43 27 G H8 H 7.898 0.009 1 111 44 28 C H1' H 5.578 0.011 . 112 44 28 C H2' H 4.310 0.009 . 113 44 28 C H5 H 5.263 0.009 1 114 44 28 C H6 H 7.791 0.011 1 115 45 29 C H1' H 5.828 0.016 . 116 45 29 C H2' H 4.084 0.007 . 117 45 29 C H4' H 4.245 0.001 . 118 45 29 C H6 H 7.753 0.008 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRPipe $SPARKY stop_ loop_ _Experiment_label '2D 1H-1H COSY' '2D 1H-1H NOESY' '3D HCCH-TOCSY' '3D 1H-13C NOESY' '2D F1fF2f NOESY' '2D F1fF2f TOCSY' stop_ loop_ _Sample_label $sample_3 $sample_1 $sample_2 $sample_4 $sample_5 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name peptide _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 ARG H H 8.009 0.003 1 2 1 1 ARG HA H 4.687 0.004 1 3 1 1 ARG HB2 H 1.978 0.004 2 4 1 1 ARG HB3 H 1.978 0.004 2 5 1 1 ARG HD2 H 3.421 0.005 . 6 1 1 ARG HD3 H 3.293 0.013 2 7 1 1 ARG HG2 H 1.673 0.011 2 8 1 1 ARG HG3 H 1.673 0.011 2 9 1 1 ARG HH11 H 7.449 0.002 2 10 1 1 ARG HH12 H 7.449 0.002 2 11 1 1 ARG HH21 H 6.974 0.014 2 12 1 1 ARG HH22 H 6.974 0.014 2 13 2 2 VAL H H 8.705 0.004 1 14 2 2 VAL HA H 4.798 0.003 1 15 2 2 VAL HB H 1.890 0.004 1 16 2 2 VAL HG1 H 0.755 0.020 2 17 2 2 VAL HG2 H 0.836 0.003 2 18 3 3 ARG HA H 4.775 0.009 1 19 3 3 ARG HB2 H 1.812 0.003 2 20 3 3 ARG HB3 H 1.812 0.003 2 21 3 3 ARG HD2 H 3.104 0.001 . 22 3 3 ARG HD3 H 3.327 0.008 2 23 3 3 ARG HG2 H 1.648 0.010 . 24 3 3 ARG HG3 H 1.477 0.007 2 25 3 3 ARG HH11 H 7.369 0.000 . 26 3 3 ARG HH12 H 7.369 0.000 . 27 4 4 CYS H H 9.311 0.012 1 28 4 4 CYS HA H 5.867 0.004 1 29 4 4 CYS HB2 H 3.103 0.013 . 30 4 4 CYS HB3 H 2.761 0.008 2 31 5 5 ARG H H 9.213 0.002 1 32 5 5 ARG HA H 4.802 0.010 1 33 5 5 ARG HB2 H 2.125 0.005 . 34 5 5 ARG HB3 H 1.664 0.002 2 35 5 5 ARG HD2 H 2.913 0.006 . 36 5 5 ARG HD3 H 2.902 0.000 2 37 5 5 ARG HG2 H 1.514 0.022 . 38 5 5 ARG HG3 H 1.615 0.005 2 39 6 6 GLN H H 8.431 0.007 1 40 6 6 GLN HA H 4.992 0.005 1 41 6 6 GLN HB2 H 2.092 0.010 2 42 6 6 GLN HB3 H 2.092 0.010 2 43 6 6 GLN HG2 H 2.422 0.004 . 44 6 6 GLN HG3 H 2.301 0.010 2 45 6 6 GLN HE21 H 7.742 0.008 . 46 6 6 GLN HE22 H 6.826 0.004 . 47 7 7 ARG H H 9.111 0.009 1 48 7 7 ARG HA H 4.342 0.005 1 49 7 7 ARG HB2 H 1.739 0.001 . 50 7 7 ARG HB3 H 1.746 0.000 2 51 7 7 ARG HD2 H 2.955 0.001 . 52 7 7 ARG HD3 H 2.579 0.010 2 53 7 7 ARG HG2 H 1.308 0.011 2 54 7 7 ARG HG3 H 1.308 0.011 2 55 8 8 LYS H H 9.733 0.006 1 56 8 8 LYS HA H 3.779 0.006 1 57 8 8 LYS HB2 H 1.885 0.004 2 58 8 8 LYS HB3 H 1.885 0.004 2 59 8 8 LYS HD2 H 1.662 0.002 . 60 8 8 LYS HD3 H 1.717 0.012 2 61 8 8 LYS HE2 H 3.071 0.017 . 62 8 8 LYS HG2 H 1.344 0.011 . 63 8 8 LYS HG3 H 1.409 0.005 2 64 8 8 LYS HZ H 7.699 0.001 . 65 9 9 GLY H H 7.851 0.008 1 66 9 9 GLY HA2 H 4.236 0.011 . 67 9 9 GLY HA3 H 3.720 0.001 2 68 10 10 ARG H H 9.114 0.009 1 69 10 10 ARG HA H 4.734 0.016 1 70 10 10 ARG HB2 H 1.970 0.004 . 71 10 10 ARG HB3 H 1.858 0.006 2 72 10 10 ARG HD2 H 3.093 0.003 . 73 10 10 ARG HD3 H 2.962 0.005 2 74 10 10 ARG HE H 7.743 0.000 1 75 10 10 ARG HG2 H 1.697 0.000 . 76 10 10 ARG HG3 H 1.473 0.011 2 77 10 10 ARG HH11 H 7.373 0.006 . 78 10 10 ARG HH12 H 7.373 0.006 . 79 11 11 ARG H H 9.028 0.024 1 80 11 11 ARG HA H 4.789 0.007 1 81 11 11 ARG HB2 H 1.897 0.001 . 82 11 11 ARG HB3 H 1.804 0.002 2 83 11 11 ARG HD2 H 3.240 0.006 2 84 11 11 ARG HD3 H 3.240 0.006 2 85 11 11 ARG HG2 H 1.621 0.005 2 86 11 11 ARG HG3 H 1.621 0.005 2 87 12 12 ILE H H 9.228 0.002 1 88 12 12 ILE HA H 4.684 0.008 1 89 12 12 ILE HB H 1.802 0.010 1 90 12 12 ILE HD1 H 0.834 0.007 . 91 12 12 ILE HG12 H 0.991 0.000 . 92 12 12 ILE HG13 H 0.991 0.000 . 93 12 12 ILE HG2 H 0.898 0.002 . 94 13 13 CYS H H 9.264 0.017 1 95 13 13 CYS HA H 5.591 0.004 1 96 13 13 CYS HB2 H 2.966 0.011 . 97 13 13 CYS HB3 H 2.563 0.006 2 98 14 14 ILE H H 9.091 0.015 1 99 14 14 ILE HA H 4.608 0.008 1 100 14 14 ILE HB H 1.922 0.005 1 101 14 14 ILE HD1 H 0.917 0.003 . 102 14 14 ILE HG12 H 1.490 0.003 . 103 14 14 ILE HG13 H 1.220 0.005 2 104 14 14 ILE HG2 H 0.989 0.006 1 105 15 15 ARG H H 8.914 0.006 1 106 15 15 ARG HA H 4.958 0.006 1 107 15 15 ARG HB2 H 1.946 0.003 . 108 15 15 ARG HB3 H 1.839 0.000 2 109 15 15 ARG HD2 H 3.283 0.020 . 110 15 15 ARG HD3 H 3.213 0.019 2 111 15 15 ARG HE H 7.450 0.003 1 112 15 15 ARG HG2 H 1.736 0.000 . 113 15 15 ARG HG3 H 1.611 0.004 2 114 15 15 ARG HH11 H 6.994 0.005 . 115 15 15 ARG HH12 H 6.994 0.005 . 116 15 15 ARG HH21 H 6.565 0.003 . 117 15 15 ARG HH22 H 6.565 0.003 . 118 16 16 ILE H H 9.072 0.003 1 119 16 16 ILE HA H 4.636 0.004 1 120 16 16 ILE HB H 1.850 0.003 1 121 16 16 ILE HD1 H 0.905 0.004 . 122 16 16 ILE HG12 H 1.485 0.002 . 123 16 16 ILE HG13 H 1.152 0.002 2 124 16 16 ILE HG2 H 0.998 0.001 1 125 17 17 DPR H H 7.194 0.026 1 126 17 17 DPR HA H 4.641 0.003 1 127 17 17 DPR HB2 H 2.341 0.005 . 128 17 17 DPR HB3 H 2.247 0.004 2 129 17 17 DPR HD2 H 4.152 0.003 . 130 17 17 DPR HD3 H 3.853 0.002 2 131 17 17 DPR HG2 H 2.056 0.004 . 132 17 17 DPR HG3 H 2.197 0.005 2 133 18 18 PRO HA H 4.905 0.007 1 134 18 18 PRO HB2 H 2.408 0.003 . 135 18 18 PRO HB3 H 2.017 0.003 2 136 18 18 PRO HD2 H 3.987 0.002 . 137 18 18 PRO HD3 H 3.592 0.003 2 138 18 18 PRO HG2 H 2.247 0.001 . 139 18 18 PRO HG3 H 2.133 0.001 2 stop_ save_