data_5283 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Proton Chemical Shift Assignments for Vpr(34-51) Peptide ; _BMRB_accession_number 5283 _BMRB_flat_file_name bmr5283.str _Entry_type original _Submission_date 2002-02-08 _Accession_date 2002-02-08 _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 Engler Andrea . . 2 Stangler Thomas . . 3 Willbold Dieter . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 3 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 362 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-17 update BMRB 'Updating non-standard residue' 2002-12-27 original author 'original release' stop_ _Original_release_date 2015-08-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of Human Immunodeficiency Virus Type 1 Vpr(34-51) Peptide in Micelle containing Aqueous Solution ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22079438 _PubMed_ID 12084067 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Engler Andrea . . 2 Stangler Thomas . . 3 Willbold Dieter . . stop_ _Journal_abbreviation 'Eur. J. Biochem.' _Journal_volume 269 _Journal_issue 13 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3264 _Page_last 3269 _Year 2002 _Details . loop_ _Keyword HIV-1 NMR Vpr dodecylphosphocholine micelles 'solution structure' stop_ save_ ################################## # Molecular system description # ################################## save_system_Vpr _Saveframe_category molecular_system _Mol_system_name 'HIV-1 Vpr (34-51)' _Abbreviation_common Vpr _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Vpr(34-51) $Vpr(34-51) 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_Vpr(34-51) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Vpr(34-51) _Abbreviation_common Vpr _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 20 _Mol_residue_sequence ; XFPRIWLHNLGQHIYETYGX ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 33 ACE 2 34 PHE 3 35 PRO 4 36 ARG 5 37 ILE 6 38 TRP 7 39 LEU 8 40 HIS 9 41 ASN 10 42 LEU 11 43 GLY 12 44 GLN 13 45 HIS 14 46 ILE 15 47 TYR 16 48 GLU 17 49 THR 18 50 TYR 19 51 GLY 20 52 NH2 stop_ _Sequence_homology_query_date 2008-03-24 _Sequence_homology_query_revised_last_date 2008-01-16 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 1KZS 'A Chain A, Structure Of HumanImmunodeficiency Virus Type 1 Vpr(34-51) Peptide InAqueous Tfe Solution' 100.00 18 100 100 0.015 PDB 1KZT 'A Chain A, Structure Of HumanImmunodeficiency Virus Type 1 Vpr(34-51) Peptide In DpcMicelle Containing Aqueous Solution' 100.00 18 100 100 0.015 PDB 1KZV 'A Chain A, Structure Of HumanImmunodeficiency Virus Type 1 Vpr(34-51) Peptide InChloroform Methanol' 100.00 18 100 100 0.015 DBJ BAA93983.1 'Vpr protein [Human immunodeficiencyvirus 1]' 18.75 96 100 100 0.015 DBJ BAA93984.1 'Vpr protein [Human immunodeficiencyvirus 1]' 18.75 96 100 100 0.015 DBJ BAF34644.1 'vpr protein [HIV-1 vector pNL-DT5R]' 18.75 96 100 100 0.015 GenBank AAC41100.1 'vpr protein [Human immunodeficiencyvirus type 1]' 18.75 96 100 100 0.015 GenBank AAQ97545.1 'Vpr protein [Human immunodeficiencyvirus 1]' 18.75 96 100 100 0.015 GenBank AAQ97554.1 'Vpr protein [Human immunodeficiencyvirus 1]' 18.75 96 100 100 0.015 GenBank ABF00752.1 'vpr protein [Human immunodeficiencyvirus 1]' 18.75 96 100 100 0.015 GenBank ABV28250.1 'vpr protein [Human immunodeficiencyvirus 1]' 18.75 96 100 100 0.015 SWISS-PROT P12520 'VPR_HV1N5 Protein Vpr (Viral protein R) (RORF protein)' 18.75 96 100 100 0.015 stop_ save_ ###################### # Polymer residues # ###################### save_chem_comp_ACE _Saveframe_category polymer_residue _Mol_type non-polymer _Name_common 'ACETYL GROUP' _BMRB_code . _PDB_code ACE _Standard_residue_derivative . _Molecular_mass 44.053 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jul 22 12:01:15 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C C C . 0 . ? O O O . 0 . ? CH3 CH3 C . 0 . ? H H H . 0 . ? H1 H1 H . 0 . ? H2 H2 H . 0 . ? H3 H3 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 DOUB C O ? ? SING C CH3 ? ? SING C H ? ? SING CH3 H1 ? ? SING CH3 H2 ? ? SING CH3 H3 ? ? stop_ save_ save_chem_comp_NH2 _Saveframe_category polymer_residue _Mol_type non-polymer _Name_common 'AMINO GROUP' _BMRB_code . _PDB_code NH2 _Standard_residue_derivative . _Molecular_mass 16.023 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jul 22 12:03:29 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? HN1 HN1 H . 0 . ? HN2 HN2 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 HN1 ? ? SING N HN2 ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Vpr(34-51) HIV-1 11676 Viruses . Lentivirus 'Human immunodeficiency virus type 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 $Vpr(34-51) 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_dpc _Saveframe_category sample _Sample_type micelles _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Vpr(34-51) 2.0 mM . DPC-d38 100 mM . D2O 10 '% (v/v)' . H2O 90 '% (v/v)' . stop_ save_ save_sample_tfe _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Vpr(34-51) 2 mM . Trifluoroethanol-d2 50 '% (v/v)' . H2O 50 '% (v/v)' . stop_ save_ save_sample_meohcf _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Vpr(34-51) 2 mM . Methanol-d2 50 '% (v/v)' . Chloroform-d 50 '% (v/v)' . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 5.3 loop_ _Task 'data collection' stop_ _Details . save_ save_NDee _Saveframe_category software _Name NDee _Version . loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityINOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_DQF-COSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _Sample_label . save_ save_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _Sample_label . save_ save_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label . save_ ####################### # Sample conditions # ####################### save_condition_dpc _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 4.5 0.1 n/a temperature 298 1 K stop_ save_ save_condition_tfe_meohcf _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH . . pH temperature 298 1 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 H 1 'methyl protons' ppm 0.0 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_chemical_shift_dpc _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_dpc stop_ _Sample_conditions_label $condition_dpc _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name Vpr(34-51) _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 . 2 PHE H H 8.547 0.02 1 2 . 2 PHE HA H 4.573 0.02 1 3 . 2 PHE HB2 H 3.027 0.02 2 4 . 2 PHE HB3 H 2.993 0.02 2 5 . 2 PHE HD1 H 7.199 0.02 1 6 . 2 PHE HE1 H 7.230 0.02 1 7 . 2 PHE HE2 H 7.230 0.02 1 8 . 2 PHE HD2 H 7.199 0.02 1 9 . 3 PRO HA H 3.793 0.02 1 10 . 3 PRO HB2 H 1.535 0.02 1 11 . 3 PRO HB3 H 1.535 0.02 1 12 . 3 PRO HG2 H 1.744 0.02 1 13 . 3 PRO HG3 H 1.744 0.02 1 14 . 3 PRO HD2 H 2.935 0.02 2 15 . 3 PRO HD3 H 3.634 0.02 2 16 . 4 ARG H H 8.413 0.02 1 17 . 4 ARG HA H 3.914 0.02 1 18 . 4 ARG HB2 H 1.910 0.02 1 19 . 4 ARG HB3 H 1.910 0.02 1 20 . 4 ARG HG2 H 1.618 0.02 2 21 . 4 ARG HG3 H 1.740 0.02 2 22 . 4 ARG HD2 H 3.264 0.02 1 23 . 4 ARG HD3 H 3.264 0.02 1 24 . 4 ARG HE H 7.770 0.02 1 25 . 5 ILE H H 8.109 0.02 1 26 . 5 ILE HA H 3.890 0.02 1 27 . 5 ILE HB H 1.944 0.02 1 28 . 5 ILE HG12 H 1.565 0.02 1 29 . 5 ILE HG13 H 1.565 0.02 1 30 . 5 ILE HD1 H 0.919 0.02 1 31 . 5 ILE HG2 H 0.851 0.02 1 32 . 6 TRP H H 8.083 0.02 1 33 . 6 TRP HA H 4.375 0.02 1 34 . 6 TRP HB2 H 3.307 0.02 1 35 . 6 TRP HB3 H 3.307 0.02 1 36 . 6 TRP HD1 H 7.318 0.02 1 37 . 6 TRP HE1 H 10.678 0.02 1 38 . 6 TRP HZ2 H 7.451 0.02 1 39 . 6 TRP HH2 H 7.033 0.02 1 40 . 6 TRP HZ3 H 6.863 0.02 1 41 . 6 TRP HE3 H 7.358 0.02 1 42 . 7 LEU H H 8.049 0.02 1 43 . 7 LEU HA H 3.924 0.02 1 44 . 7 LEU HB2 H 1.842 0.02 1 45 . 7 LEU HB3 H 1.842 0.02 1 46 . 7 LEU HG H 1.565 0.02 1 47 . 7 LEU HD1 H 0.915 0.02 1 48 . 7 LEU HD2 H 0.915 0.02 1 49 . 8 HIS H H 8.300 0.02 1 50 . 8 HIS HA H 4.142 0.02 1 51 . 8 HIS HB2 H 3.269 0.02 2 52 . 8 HIS HB3 H 3.346 0.02 2 53 . 8 HIS HD2 H 7.035 0.02 1 54 . 8 HIS HE1 H 8.052 0.02 1 55 . 9 ASN H H 8.536 0.02 1 56 . 9 ASN HA H 4.395 0.02 1 57 . 9 ASN HB2 H 2.735 0.02 2 58 . 9 ASN HB3 H 2.909 0.02 2 59 . 9 ASN HD21 H 6.873 0.02 2 60 . 9 ASN HD22 H 7.649 0.02 2 61 . 10 LEU H H 8.238 0.02 1 62 . 10 LEU HA H 4.072 0.02 1 63 . 10 LEU HB2 H 1.727 0.02 1 64 . 10 LEU HB3 H 1.727 0.02 1 65 . 10 LEU HG H 1.296 0.02 1 66 . 10 LEU HD1 H 0.805 0.02 1 67 . 10 LEU HD2 H 0.805 0.02 1 68 . 11 GLY H H 8.609 0.02 1 69 . 11 GLY HA2 H 3.653 0.02 1 70 . 11 GLY HA3 H 3.653 0.02 1 71 . 12 GLN H H 8.396 0.02 1 72 . 12 GLN HA H 3.967 0.02 1 73 . 12 GLN HB2 H 2.310 0.02 1 74 . 12 GLN HB3 H 2.310 0.02 1 75 . 12 GLN HG2 H 2.077 0.02 1 76 . 12 GLN HG3 H 2.077 0.02 1 77 . 12 GLN HE21 H 7.003 0.02 2 78 . 12 GLN HE22 H 7.698 0.02 2 79 . 13 HIS H H 8.074 0.02 1 80 . 13 HIS HA H 4.475 0.02 1 81 . 13 HIS HB2 H 3.259 0.02 2 82 . 13 HIS HB3 H 3.371 0.02 2 83 . 13 HIS HD2 H 6.772 0.02 1 84 . 13 HIS HE1 H 8.005 0.02 1 85 . 14 ILE H H 8.592 0.02 1 86 . 14 ILE HA H 3.647 0.02 1 87 . 14 ILE HB H 2.079 0.02 1 88 . 14 ILE HG12 H 1.298 0.02 2 89 . 14 ILE HG13 H 1.220 0.02 2 90 . 14 ILE HD1 H 0.861 0.02 1 91 . 14 ILE HG2 H 0.968 0.02 1 92 . 15 TYR H H 8.594 0.02 1 93 . 15 TYR HA H 4.021 0.02 1 94 . 15 TYR HB2 H 3.045 0.02 2 95 . 15 TYR HB3 H 3.162 0.02 2 96 . 15 TYR HD1 H 7.004 0.02 1 97 . 15 TYR HE1 H 6.825 0.02 1 98 . 15 TYR HE2 H 6.825 0.02 1 99 . 15 TYR HD2 H 7.004 0.02 1 100 . 16 GLU H H 8.516 0.02 1 101 . 16 GLU HA H 3.858 0.02 1 102 . 16 GLU HB2 H 1.995 0.02 2 103 . 16 GLU HB3 H 2.116 0.02 2 104 . 16 GLU HG2 H 2.329 0.02 2 105 . 16 GLU HG3 H 2.504 0.02 2 106 . 17 THR H H 7.789 0.02 1 107 . 17 THR HA H 3.805 0.02 1 108 . 17 THR HB H 3.698 0.02 1 109 . 17 THR HG2 H 0.626 0.02 1 110 . 18 TYR H H 8.041 0.02 1 111 . 18 TYR HA H 3.669 0.02 1 112 . 18 TYR HB2 H 2.679 0.02 2 113 . 18 TYR HB3 H 3.121 0.02 2 114 . 18 TYR HD1 H 7.088 0.02 1 115 . 18 TYR HE1 H 6.709 0.02 1 116 . 18 TYR HE2 H 6.709 0.02 1 117 . 18 TYR HD2 H 7.088 0.02 1 118 . 19 GLY H H 7.725 0.02 1 119 . 19 GLY HA2 H 3.523 0.02 2 120 . 19 GLY HA3 H 3.795 0.02 2 stop_ save_ save_chemical_shift_tfe _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_tfe stop_ _Sample_conditions_label $condition_tfe_meohcf _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name Vpr(34-51) _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 . 2 PHE H H 7.840 0.02 1 2 . 2 PHE HA H 4.540 0.02 1 3 . 2 PHE HB2 H 3.030 0.02 1 4 . 2 PHE HB3 H 3.030 0.02 1 5 . 2 PHE HD1 H 7.170 0.02 1 6 . 2 PHE HD2 H 7.170 0.02 1 7 . 3 PRO HA H 3.750 0.02 1 8 . 3 PRO HB2 H 2.370 0.02 2 9 . 3 PRO HB3 H 2.070 0.02 2 10 . 3 PRO HG2 H 1.920 0.02 2 11 . 3 PRO HG3 H 1.810 0.02 2 12 . 3 PRO HD2 H 3.430 0.02 1 13 . 3 PRO HD3 H 3.430 0.02 1 14 . 4 ARG H H 7.550 0.02 1 15 . 4 ARG HA H 4.100 0.02 1 16 . 4 ARG HB2 H 1.940 0.02 1 17 . 4 ARG HB3 H 1.940 0.02 1 18 . 4 ARG HG2 H 1.800 0.02 2 19 . 4 ARG HG3 H 1.700 0.02 2 20 . 4 ARG HD2 H 3.250 0.02 1 21 . 4 ARG HD3 H 3.250 0.02 1 22 . 4 ARG HE H 7.170 0.02 1 23 . 5 ILE H H 7.640 0.02 1 24 . 5 ILE HA H 3.810 0.02 1 25 . 5 ILE HB H 0.970 0.02 1 26 . 5 ILE HG12 H 1.620 0.02 2 27 . 5 ILE HG13 H 1.980 0.02 2 28 . 5 ILE HD1 H 1.180 0.02 1 29 . 5 ILE HG2 H 0.890 0.02 1 30 . 6 TRP H H 8.200 0.02 1 31 . 6 TRP HA H 4.340 0.02 1 32 . 6 TRP HB2 H 3.320 0.02 2 33 . 6 TRP HB3 H 3.110 0.02 2 34 . 6 TRP HD1 H 7.110 0.02 1 35 . 6 TRP HE1 H 9.590 0.02 1 36 . 6 TRP HZ2 H 7.420 0.02 1 37 . 6 TRP HH2 H 7.200 0.02 1 38 . 6 TRP HZ3 H 7.110 0.02 1 39 . 6 TRP HE3 H 7.530 0.02 1 40 . 7 LEU H H 8.440 0.02 1 41 . 7 LEU HA H 4.080 0.02 1 42 . 7 LEU HB2 H 1.930 0.02 1 43 . 7 LEU HB3 H 1.930 0.02 1 44 . 7 LEU HG H 1.630 0.02 1 45 . 7 LEU HD1 H 0.980 0.02 1 46 . 7 LEU HD2 H 0.980 0.02 1 47 . 8 HIS H H 8.170 0.02 1 48 . 8 HIS HA H 4.310 0.02 1 49 . 8 HIS HB2 H 3.440 0.02 1 50 . 8 HIS HB3 H 3.440 0.02 1 51 . 8 HIS HD2 H 7.340 0.02 1 52 . 8 HIS HE1 H 8.540 0.02 1 53 . 9 ASN H H 8.380 0.02 1 54 . 9 ASN HA H 4.480 0.02 1 55 . 9 ASN HB2 H 2.910 0.02 2 56 . 9 ASN HB3 H 2.800 0.02 2 57 . 9 ASN HD21 H 7.290 0.02 2 58 . 9 ASN HD22 H 6.650 0.02 2 59 . 10 LEU H H 8.310 0.02 1 60 . 10 LEU HA H 4.050 0.02 1 61 . 10 LEU HB2 H 1.710 0.02 1 62 . 10 LEU HB3 H 1.710 0.02 1 63 . 10 LEU HG H 1.320 0.02 1 64 . 10 LEU HD1 H 0.830 0.02 2 65 . 10 LEU HD2 H 1.520 0.02 2 66 . 11 GLY H H 8.420 0.02 1 67 . 11 GLY HA2 H 3.850 0.02 2 68 . 11 GLY HA3 H 3.740 0.02 2 69 . 12 GLN H H 8.040 0.02 1 70 . 12 GLN HA H 4.090 0.02 1 71 . 12 GLN HB2 H 2.070 0.02 1 72 . 12 GLN HB3 H 2.070 0.02 1 73 . 12 GLN HG2 H 2.340 0.02 2 74 . 12 GLN HG3 H 2.280 0.02 2 75 . 12 GLN HE21 H 7.260 0.02 2 76 . 12 GLN HE22 H 6.670 0.02 2 77 . 13 HIS H H 8.070 0.02 1 78 . 13 HIS HA H 4.420 0.02 1 79 . 13 HIS HB2 H 3.440 0.02 2 80 . 13 HIS HB3 H 3.350 0.02 2 81 . 13 HIS HD2 H 7.180 0.02 1 82 . 13 HIS HE1 H 8.600 0.02 1 83 . 14 ILE H H 8.580 0.02 1 84 . 14 ILE HA H 3.750 0.02 1 85 . 14 ILE HB H 0.950 0.02 1 86 . 14 ILE HG12 H 2.030 0.02 1 87 . 14 ILE HG13 H 2.030 0.02 1 88 . 14 ILE HD1 H 0.880 0.02 1 89 . 14 ILE HG2 H 1.190 0.02 1 90 . 15 TYR H H 8.410 0.02 1 91 . 15 TYR HA H 4.220 0.02 1 92 . 15 TYR HB2 H 3.130 0.02 1 93 . 15 TYR HB3 H 3.130 0.02 1 94 . 15 TYR HD1 H 7.100 0.02 1 95 . 15 TYR HE1 H 6.840 0.02 1 96 . 15 TYR HE2 H 6.840 0.02 1 97 . 15 TYR HD2 H 7.100 0.02 1 98 . 16 GLU H H 8.280 0.02 1 99 . 16 GLU HA H 4.030 0.02 1 100 . 16 GLU HB2 H 2.170 0.02 1 101 . 16 GLU HB3 H 2.170 0.02 1 102 . 16 GLU HG2 H 2.560 0.02 2 103 . 16 GLU HG3 H 2.690 0.02 2 104 . 17 THR H H 7.750 0.02 1 105 . 17 THR HA H 4.020 0.02 1 106 . 17 THR HB H 3.990 0.02 1 107 . 17 THR HG2 H 0.820 0.02 1 108 . 18 TYR H H 8.040 0.02 1 109 . 18 TYR HA H 4.590 0.02 1 110 . 18 TYR HB2 H 3.200 0.02 2 111 . 18 TYR HB3 H 2.840 0.02 2 112 . 18 TYR HD1 H 7.210 0.02 1 113 . 18 TYR HE1 H 6.810 0.02 1 114 . 18 TYR HE2 H 6.810 0.02 1 115 . 18 TYR HD2 H 7.210 0.02 1 116 . 19 GLY H H 7.970 0.02 1 117 . 19 GLY HA2 H 3.780 0.02 1 118 . 19 GLY HA3 H 3.780 0.02 1 119 . 20 NH2 HN1 H 7.09 0.02 2 120 . 20 NH2 HN2 H 6.56 0.02 2 stop_ save_ save_chemical_shift_meohcf _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_meohcf stop_ _Sample_conditions_label $condition_tfe_meohcf _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name Vpr(34-51) _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 . 2 PHE H H 8.090 0.02 1 2 . 2 PHE HA H 4.530 0.02 1 3 . 2 PHE HB2 H 3.040 0.02 2 4 . 2 PHE HB3 H 2.920 0.02 2 5 . 2 PHE HD1 H 7.240 0.02 1 6 . 2 PHE HE1 H 7.300 0.02 1 7 . 2 PHE HE2 H 7.300 0.02 1 8 . 2 PHE HD2 H 7.240 0.02 1 9 . 3 PRO HA H 4.270 0.02 1 10 . 3 PRO HB2 H 2.380 0.02 2 11 . 3 PRO HB3 H 1.910 0.02 2 12 . 3 PRO HG2 H 2.110 0.02 1 13 . 3 PRO HG3 H 2.110 0.02 1 14 . 3 PRO HD2 H 3.370 0.02 2 15 . 3 PRO HD3 H 3.240 0.02 2 16 . 4 ARG H H 8.030 0.02 1 17 . 4 ARG HA H 4.050 0.02 1 18 . 4 ARG HB2 H 1.950 0.02 1 19 . 4 ARG HB3 H 1.950 0.02 1 20 . 4 ARG HG2 H 1.780 0.02 2 21 . 4 ARG HG3 H 1.670 0.02 2 22 . 4 ARG HD2 H 3.220 0.02 1 23 . 4 ARG HD3 H 3.220 0.02 1 24 . 4 ARG HE H 7.810 0.02 1 25 . 5 ILE H H 7.750 0.02 1 26 . 5 ILE HA H 3.680 0.02 1 27 . 5 ILE HB H 2.010 0.02 1 28 . 5 ILE HG12 H 1.960 0.02 1 29 . 5 ILE HG13 H 1.960 0.02 1 30 . 5 ILE HD1 H 1.680 0.02 1 31 . 5 ILE HG2 H 0.940 0.02 1 32 . 6 TRP H H 8.170 0.02 1 33 . 6 TRP HA H 4.320 0.02 1 34 . 6 TRP HB2 H 3.370 0.02 2 35 . 6 TRP HB3 H 3.230 0.02 2 36 . 6 TRP HD1 H 7.160 0.02 1 37 . 6 TRP HE1 H 10.170 0.02 1 38 . 6 TRP HZ2 H 7.050 0.02 1 39 . 6 TRP HH2 H 7.110 0.02 1 40 . 6 TRP HZ3 H 7.370 0.02 1 41 . 6 TRP HE3 H 7.540 0.02 1 42 . 7 LEU H H 8.320 0.02 1 43 . 7 LEU HA H 4.020 0.02 1 44 . 7 LEU HB2 H 1.880 0.02 1 45 . 7 LEU HB3 H 1.880 0.02 1 46 . 7 LEU HG H 1.170 0.02 1 47 . 7 LEU HD1 H 0.880 0.02 2 48 . 7 LEU HD2 H 0.990 0.02 2 49 . 8 HIS H H 8.300 0.02 1 50 . 8 HIS HA H 4.210 0.02 1 51 . 8 HIS HB2 H 3.380 0.02 1 52 . 8 HIS HB3 H 3.380 0.02 1 53 . 8 HIS HD2 H 7.290 0.02 1 54 . 8 HIS HE1 H 8.460 0.02 1 55 . 9 ASN H H 8.570 0.02 1 56 . 9 ASN HA H 4.400 0.02 1 57 . 9 ASN HB2 H 2.910 0.02 2 58 . 9 ASN HB3 H 2.780 0.02 2 59 . 9 ASN HD21 H 7.430 0.02 2 60 . 9 ASN HD22 H 6.640 0.02 2 61 . 10 LEU H H 8.500 0.02 1 62 . 10 LEU HA H 4.000 0.02 1 63 . 10 LEU HB2 H 1.430 0.02 2 64 . 10 LEU HB3 H 1.770 0.02 2 65 . 10 LEU HG H 1.560 0.02 1 66 . 10 LEU HD1 H 0.850 0.02 1 67 . 10 LEU HD2 H 0.850 0.02 1 68 . 11 GLY H H 8.520 0.02 1 69 . 11 GLY HA2 H 3.810 0.02 2 70 . 11 GLY HA3 H 3.770 0.02 2 71 . 12 GLN H H 8.450 0.02 1 72 . 12 GLN HA H 3.990 0.02 1 73 . 12 GLN HB2 H 2.110 0.02 2 74 . 12 GLN HB3 H 1.990 0.02 2 75 . 12 GLN HG2 H 2.260 0.02 1 76 . 12 GLN HG3 H 2.260 0.02 1 77 . 12 GLN HE21 H 7.150 0.02 2 78 . 12 GLN HE22 H 6.420 0.02 2 79 . 13 HIS H H 8.060 0.02 1 80 . 13 HIS HA H 4.320 0.02 1 81 . 13 HIS HB2 H 3.360 0.02 1 82 . 13 HIS HB3 H 3.360 0.02 1 83 . 13 HIS HD2 H 7.270 0.02 1 84 . 13 HIS HE1 H 8.600 0.02 1 85 . 14 ILE H H 8.510 0.02 1 86 . 14 ILE HA H 3.690 0.02 1 87 . 14 ILE HB H 2.060 0.02 1 88 . 14 ILE HG12 H 1.160 0.02 1 89 . 14 ILE HG13 H 1.160 0.02 1 90 . 14 ILE HD1 H 0.870 0.02 1 91 . 14 ILE HG2 H 0.990 0.02 1 92 . 15 TYR H H 8.410 0.02 1 93 . 15 TYR HA H 4.110 0.02 1 94 . 15 TYR HB2 H 3.090 0.02 1 95 . 15 TYR HB3 H 3.090 0.02 1 96 . 15 TYR HD1 H 6.980 0.02 1 97 . 15 TYR HE1 H 6.720 0.02 1 98 . 15 TYR HE2 H 6.720 0.02 1 99 . 15 TYR HD2 H 6.980 0.02 1 100 . 16 GLU H H 8.230 0.02 1 101 . 16 GLU HA H 3.880 0.02 1 102 . 16 GLU HB2 H 2.230 0.02 2 103 . 16 GLU HB3 H 2.140 0.02 2 104 . 16 GLU HG2 H 2.720 0.02 1 105 . 16 GLU HG3 H 2.720 0.02 1 106 . 17 THR H H 7.630 0.02 1 107 . 17 THR HA H 3.890 0.02 1 108 . 17 THR HB H 4.090 0.02 1 109 . 17 THR HG2 H 0.890 0.02 1 110 . 18 TYR H H 7.490 0.02 1 111 . 18 TYR HA H 4.540 0.02 1 112 . 18 TYR HB2 H 2.730 0.02 2 113 . 18 TYR HB3 H 3.250 0.02 2 114 . 18 TYR HD1 H 7.170 0.02 1 115 . 18 TYR HE1 H 6.660 0.02 1 116 . 18 TYR HE2 H 6.660 0.02 1 117 . 18 TYR HD2 H 7.170 0.02 1 118 . 19 GLY H H 7.740 0.02 1 119 . 19 GLY HA2 H 3.910 0.02 2 120 . 19 GLY HA3 H 3.870 0.02 2 121 . 20 NH2 HN1 H 7.09 0.02 2 122 . 20 NH2 HN2 H 6.56 0.02 2 stop_ save_