data_2272 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Immunogenic Peptides Corresponding to the Dominant Antigenic Region Alanine-597 to Cysteine-619 in the Transmembrane Protein of Simian Immunodeficiency Virus Have a Propensity To Fold in Aqueous Solution ; _BMRB_accession_number 2272 _BMRB_flat_file_name bmr2272.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-04-12 _Entry_origination BMRB _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 Dyson H. Jane . 2 Norrby Erling . . 3 Hoey Kenway . . 4 Parks D. Elliot . 5 Lerner Richard A. . 6 Wright Peter E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 70 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-10 revision BMRB 'Updating non-standard residue' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996-04-12 revision BMRB 'Error corrected in abrreviations given to non-polymers' 1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1995-07-31 original BMRB 'Last release in original BMRB flat-file format' 2008-03-24 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Dyson, H. Jane, Norrby, Erling, Hoey, Kenway, Parks, D. Elliot, Lerner, Richard A., Wright, Peter E., "Immunogenic Peptides Corresponding to the Dominant Antigenic Region Alanine-597 to Cysteine-619 in the Transmembrane Protein of Simian Immunodeficiency Virus Have a Propensity To Fold in Aqueous Solution," Biochemistry 31 (5), 1458-1463 (1992). ; _Citation_title ; Immunogenic Peptides Corresponding to the Dominant Antigenic Region Alanine-597 to Cysteine-619 in the Transmembrane Protein of Simian Immunodeficiency Virus Have a Propensity To Fold in Aqueous Solution ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dyson H. Jane . 2 Norrby Erling . . 3 Hoey Kenway . . 4 Parks D. Elliot . 5 Lerner Richard A. . 6 Wright Peter E. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 31 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1458 _Page_last 1463 _Year 1992 _Details . save_ ################################## # Molecular system description # ################################## save_system_immunogenic_peptide_A12-9 _Saveframe_category molecular_system _Mol_system_name 'immunogenic peptide A12-9' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'immunogenic peptide A12-9' $immunogenic_peptide_A12-9 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_immunogenic_peptide_A12-9 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'immunogenic peptide A12-9' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 12 _Mol_residue_sequence LNAWGCAFRQVX loop_ _Residue_seq_code _Residue_label 1 LEU 2 ASN 3 ALA 4 TRP 5 GLY 6 CYS 7 ALA 8 PHE 9 ARG 10 GLN 11 VAL 12 SET stop_ _Sequence_homology_query_date 2005-11-24 _Sequence_homology_query_revised_last_date 2002-02-02 save_ ###################### # Polymer residues # ###################### save_chem_comp_SET _Saveframe_category polymer_residue _Mol_type 'L-PEPTIDE LINKING' _Name_common AMINOSERINE _BMRB_code SET _PDB_code SET _Standard_residue_derivative . _Molecular_mass 104.108 _Mol_paramagnetic . _Details . 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 . ? OG OG O . 0 . ? NT NT N . 0 . ? C C C . 0 . ? O O O . 0 . ? H H H . 0 . ? H2 H2 H . 0 . ? HA HA H . 0 . ? HB2 HB2 H . 0 . ? HB3 HB3 H . 0 . ? HG HG H . 0 . ? HNT1 HNT1 H . 0 . ? HNT2 HNT2 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 H ? ? SING N H2 ? ? SING CA CB ? ? SING CA C ? ? SING CA HA ? ? SING CB OG ? ? SING CB HB2 ? ? SING CB HB3 ? ? SING OG HG ? ? SING NT C ? ? SING NT HNT1 ? ? SING NT HNT2 ? ? DOUB C O ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $immunogenic_peptide_A12-9 SIV . . . SIV . SIVmac 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 $immunogenic_peptide_A12-9 'not available' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.41 . n/a temperature 278 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _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 DSS H . . ppm 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_assignment_data_set_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_condition_set_one _Chem_shift_reference_set_label $chem_shift_reference_par_set_one _Mol_system_component_name 'immunogenic peptide A12-9' _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 LEU HA H 3.98 . 1 2 . 1 LEU HB2 H 1.67 . 1 3 . 1 LEU HB3 H 1.67 . 1 4 . 1 LEU HG H 1.61 . 1 5 . 1 LEU HD1 H .93 . 2 6 . 1 LEU HD2 H .91 . 2 7 . 2 ASN H H 8.92 . 1 8 . 2 ASN HA H 4.64 . 1 9 . 2 ASN HB2 H 2.5 . 2 10 . 2 ASN HB3 H 2.6 . 2 11 . 2 ASN HD21 H 7.02 . 2 12 . 2 ASN HD22 H 7.65 . 2 13 . 3 ALA H H 8.59 . 1 14 . 3 ALA HA H 4.21 . 1 15 . 3 ALA HB H 1.25 . 1 16 . 4 TRP H H 8.15 . 1 17 . 4 TRP HA H 4.63 . 1 18 . 4 TRP HB2 H 3.27 . 2 19 . 4 TRP HB3 H 3.33 . 2 20 . 4 TRP HD1 H 7.26 . 1 21 . 4 TRP HE1 H 10.21 . 1 22 . 4 TRP HE3 H 7.61 . 1 23 . 4 TRP HZ2 H 7.48 . 1 24 . 4 TRP HZ3 H 7.16 . 1 25 . 4 TRP HH2 H 7.23 . 1 26 . 5 GLY H H 8.26 . 1 27 . 5 GLY HA2 H 3.89 . 2 28 . 5 GLY HA3 H 3.79 . 2 29 . 6 CYS H H 8.19 . 1 30 . 6 CYS HA H 4.44 . 1 31 . 6 CYS HB2 H 2.88 . 1 32 . 6 CYS HB3 H 2.88 . 1 33 . 7 ALA H H 8.51 . 1 34 . 7 ALA HA H 4.26 . 1 35 . 7 ALA HB H 1.31 . 1 36 . 8 PHE H H 8.21 . 1 37 . 8 PHE HA H 4.56 . 1 38 . 8 PHE HB2 H 3.05 . 1 39 . 8 PHE HB3 H 3.05 . 1 40 . 8 PHE HD1 H 7.2 . 1 41 . 8 PHE HD2 H 7.2 . 1 42 . 8 PHE HE1 H 7.33 . 1 43 . 8 PHE HE2 H 7.33 . 1 44 . 8 PHE HZ H 7.27 . 1 45 . 9 ARG H H 8.17 . 1 46 . 9 ARG HA H 4.21 . 1 47 . 9 ARG HB2 H 1.63 . 1 48 . 9 ARG HB3 H 1.63 . 1 49 . 9 ARG HG2 H 1.47 . 1 50 . 9 ARG HG3 H 1.47 . 1 51 . 9 ARG HD2 H 3.1 . 1 52 . 9 ARG HD3 H 3.1 . 1 53 . 9 ARG HE H 7.17 . 1 54 . 10 GLN H H 8.48 . 1 55 . 10 GLN HA H 4.26 . 1 56 . 10 GLN HB2 H 1.96 . 2 57 . 10 GLN HB3 H 2.04 . 2 58 . 10 GLN HG2 H 2.34 . 1 59 . 10 GLN HG3 H 2.34 . 1 60 . 10 GLN HE21 H 6.99 . 2 61 . 10 GLN HE22 H 7.66 . 2 62 . 11 VAL H H 8.46 . 1 63 . 11 VAL HA H 4.15 . 1 64 . 11 VAL HB H 2.1 . 1 65 . 11 VAL HG1 H .94 . 1 66 . 11 VAL HG2 H .94 . 1 67 . 12 SET H H 8.52 . 1 68 . 12 SET HA H 4.41 . 1 69 . 12 SET HB2 H 3.85 . 1 70 . 12 SET HB3 H 3.85 . 1 stop_ save_