data_6729 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H Chemical Shift Assignments for Diapause-Specific Peptide from the Leaf Beetle ; _BMRB_accession_number 6729 _BMRB_flat_file_name bmr6729.str _Entry_type original _Submission_date 2005-07-14 _Accession_date 2005-07-14 _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 Kouno Takahide . . 2 Mizuguchi Mineyuki . . 3 Unoki Kana . . 4 Suzuki Koichi . . 5 Kawano Keiichi . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 210 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-07-03 update author 'update chemical shifts' 2006-04-20 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of Diapause-Specific Peptide from Leaf Beetle' _Citation_status published _Citation_type 'BMRB only' _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kouno Takahide . . 2 Mizuguchi Mineyuki . . 3 Unoki Kana . . 4 Tanaka Hiromasa . . 5 Yang Ping . . 6 Koichi Suzuki . . 7 Kawano Keiichi . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'DSP monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Diapuase-Specific Peptide' $Diapuase-Specific_Peptide stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Diapuase-Specific_Peptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common DSP _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 41 _Mol_residue_sequence ; AVRIGPCDQVCPRIVPERHE CCRAHGRSGYAYCSGGGMYC N ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 VAL 3 ARG 4 ILE 5 GLY 6 PRO 7 CYS 8 ASP 9 GLN 10 VAL 11 CYS 12 PRO 13 ARG 14 ILE 15 VAL 16 PRO 17 GLU 18 ARG 19 HIS 20 GLU 21 CYS 22 CYS 23 ARG 24 ALA 25 HIS 26 GLY 27 ARG 28 SER 29 GLY 30 TYR 31 ALA 32 TYR 33 CYS 34 SER 35 GLY 36 GLY 37 GLY 38 MET 39 TYR 40 CYS 41 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-11-01 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 2E2F "Solution Structure Of Dsp" 100.00 41 100.00 100.00 3.66e-20 DBJ BAB88222 "Diapausin [Gastrophysa atrocyanea]" 100.00 65 100.00 100.00 2.30e-21 SP Q8T0W8 "RecName: Full=Diapause-specific peptide; Short=DSP; AltName: Full=Diapausin; Flags: Precursor [Gastrophysa atrocyanea]" 100.00 65 100.00 100.00 2.30e-21 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Diapuase-Specific_Peptide 'Leaf Beetle' 169758 Eukaryota Metazoa Gastrophysa atrocyanea 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 $Diapuase-Specific_Peptide 'Purified from the natural source' . . . . . 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 $Diapuase-Specific_Peptide 0.15 mM . 'sodium phosphate' 10 mM . NaN3 0.2 mM . DSS 0.05 mM . D2O 5 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Diapuase-Specific_Peptide 0.15 mM . 'sodium phosphate' 10 mM . NaN3 0.2 mM . DSS 0.05 mM . D2O 100 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800MHz_Spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_DQF-COSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _Sample_label $sample_1 save_ save_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _Sample_label $sample_1 save_ save_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label $sample_1 save_ save_DQF-COSY _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details ; 0.15mM DSP, 10mM sodium phosphate, 0.2mM NaN3, 0.05mM DSS 5% D2O ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 0.05 pH temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'Diapuase-Specific 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 ALA HA H 4.32 0.04 1 2 1 1 ALA HB H 1.32 0.04 1 3 2 2 VAL H H 9.09 0.04 1 4 2 2 VAL HA H 4.67 0.04 1 5 2 2 VAL HB H 1.97 0.04 1 6 2 2 VAL HG1 H 0.88 0.04 1 7 2 2 VAL HG2 H 0.81 0.04 1 8 3 3 ARG H H 8.70 0.04 1 9 3 3 ARG HA H 3.79 0.04 1 10 3 3 ARG HB2 H 1.27 0.04 1 11 3 3 ARG HB3 H 1.73 0.04 1 12 3 3 ARG HG2 H 1.51 0.04 1 13 3 3 ARG HG3 H 1.04 0.04 1 14 3 3 ARG HD2 H 2.29 0.04 1 15 3 3 ARG HD3 H 2.74 0.04 1 16 3 3 ARG HE H 8.48 0.04 1 17 4 4 ILE H H 8.08 0.04 1 18 4 4 ILE HA H 4.43 0.04 1 19 4 4 ILE HB H 1.71 0.04 1 20 4 4 ILE HG12 H 1.37 0.04 1 21 4 4 ILE HG13 H 1.22 0.04 1 22 4 4 ILE HG2 H 0.48 0.04 1 23 4 4 ILE HD1 H 0.74 0.04 1 24 5 5 GLY H H 8.68 0.04 1 25 5 5 GLY HA2 H 3.88 0.04 1 26 5 5 GLY HA3 H 4.16 0.04 1 27 6 6 PRO HA H 4.37 0.04 1 28 6 6 PRO HB2 H 1.11 0.04 1 29 6 6 PRO HB3 H 2.39 0.04 1 30 6 6 PRO HG2 H 1.82 0.04 1 31 6 6 PRO HG3 H 1.86 0.04 1 32 6 6 PRO HD2 H 3.28 0.04 1 33 6 6 PRO HD3 H 3.57 0.04 1 34 7 7 CYS H H 7.97 0.04 1 35 7 7 CYS HA H 4.81 0.04 1 36 7 7 CYS HB2 H 4.01 0.04 1 37 7 7 CYS HB3 H 2.50 0.04 1 38 8 8 ASP H H 8.48 0.04 1 39 8 8 ASP HA H 4.25 0.04 1 40 8 8 ASP HB2 H 2.85 0.04 1 41 8 8 ASP HB3 H 2.85 0.04 1 42 9 9 GLN H H 8.51 0.04 1 43 9 9 GLN HA H 4.26 0.04 1 44 9 9 GLN HB2 H 2.11 0.04 1 45 9 9 GLN HB3 H 2.19 0.04 1 46 9 9 GLN HG2 H 2.23 0.04 1 47 9 9 GLN HG3 H 2.38 0.04 1 48 10 10 VAL H H 8.17 0.04 1 49 10 10 VAL HA H 3.93 0.04 1 50 10 10 VAL HB H 2.23 0.04 1 51 10 10 VAL HG1 H 1.01 0.04 1 52 10 10 VAL HG2 H 1.01 0.04 1 53 11 11 CYS H H 7.78 0.04 1 54 11 11 CYS HA H 4.04 0.04 1 55 11 11 CYS HB2 H 2.96 0.04 1 56 11 11 CYS HB3 H 3.29 0.04 1 57 12 12 PRO HA H 4.56 0.04 1 58 12 12 PRO HB2 H 1.76 0.04 1 59 12 12 PRO HB3 H 2.30 0.04 1 60 12 12 PRO HG2 H 1.86 0.04 1 61 12 12 PRO HG3 H 1.86 0.04 1 62 12 12 PRO HD2 H 3.41 0.04 1 63 12 12 PRO HD3 H 3.41 0.04 1 64 13 13 ARG H H 7.56 0.04 1 65 13 13 ARG HA H 4.38 0.04 1 66 13 13 ARG HB2 H 1.97 0.04 1 67 13 13 ARG HB3 H 2.10 0.04 1 68 13 13 ARG HG2 H 1.68 0.04 1 69 13 13 ARG HG3 H 1.58 0.04 1 70 13 13 ARG HD2 H 3.24 0.04 1 71 13 13 ARG HD3 H 3.24 0.04 1 72 14 14 ILE H H 8.12 0.04 1 73 14 14 ILE HA H 4.23 0.04 1 74 14 14 ILE HB H 2.16 0.04 1 75 14 14 ILE HG12 H 1.51 0.04 1 76 14 14 ILE HG13 H 1.28 0.04 1 77 14 14 ILE HG2 H 1.15 0.04 1 78 14 14 ILE HD1 H 1.01 0.04 1 79 15 15 VAL H H 8.69 0.04 1 80 15 15 VAL HA H 3.09 0.04 1 81 15 15 VAL HB H 2.23 0.04 1 82 15 15 VAL HG1 H 0.99 0.04 1 83 15 15 VAL HG2 H 1.03 0.04 1 84 16 16 PRO HA H 4.46 0.04 1 85 16 16 PRO HB2 H 1.84 0.04 1 86 16 16 PRO HB3 H 2.50 0.04 1 87 16 16 PRO HG2 H 2.11 0.04 1 88 16 16 PRO HG3 H 2.21 0.04 1 89 16 16 PRO HD2 H 3.53 0.04 1 90 16 16 PRO HD3 H 3.83 0.04 1 91 17 17 GLU H H 7.36 0.04 1 92 17 17 GLU HA H 4.07 0.04 1 93 17 17 GLU HB2 H 2.02 0.04 1 94 17 17 GLU HB3 H 2.10 0.04 1 95 17 17 GLU HG2 H 2.27 0.04 1 96 17 17 GLU HG3 H 2.27 0.04 1 97 18 18 ARG H H 7.76 0.04 1 98 18 18 ARG HA H 3.69 0.04 1 99 18 18 ARG HB2 H 1.36 0.04 1 100 18 18 ARG HB3 H 1.17 0.04 1 101 18 18 ARG HG2 H 1.36 0.04 1 102 18 18 ARG HG3 H 1.52 0.04 1 103 18 18 ARG HD2 H 2.64 0.04 1 104 18 18 ARG HD3 H 2.64 0.04 1 105 18 18 ARG HE H 6.66 0.04 1 106 19 19 HIS H H 7.64 0.04 1 107 19 19 HIS HA H 4.17 0.04 1 108 19 19 HIS HB2 H 3.13 0.04 1 109 19 19 HIS HB3 H 3.23 0.04 1 110 19 19 HIS HD2 H 7.09 0.04 1 111 19 19 HIS HE1 H 8.11 0.04 1 112 20 20 GLU H H 7.87 0.04 1 113 20 20 GLU HA H 4.00 0.04 1 114 20 20 GLU HB2 H 2.09 0.04 1 115 20 20 GLU HB3 H 2.13 0.04 1 116 20 20 GLU HG2 H 2.34 0.04 1 117 20 20 GLU HG3 H 2.41 0.04 1 118 21 21 CYS H H 7.97 0.04 1 119 21 21 CYS HA H 4.55 0.04 1 120 21 21 CYS HB2 H 3.23 0.04 1 121 21 21 CYS HB3 H 3.08 0.04 1 122 22 22 CYS H H 8.02 0.04 1 123 22 22 CYS HA H 4.27 0.04 1 124 22 22 CYS HB2 H 2.96 0.04 1 125 22 22 CYS HB3 H 2.57 0.04 1 126 23 23 ARG H H 8.44 0.04 1 127 23 23 ARG HA H 4.76 0.04 1 128 23 23 ARG HB2 H 1.84 0.04 1 129 23 23 ARG HB3 H 1.91 0.04 1 130 23 23 ARG HG2 H 1.68 0.04 1 131 23 23 ARG HG3 H 1.68 0.04 1 132 23 23 ARG HD2 H 3.14 0.04 1 133 23 23 ARG HD3 H 3.23 0.04 1 134 23 23 ARG HE H 7.29 0.04 1 135 24 24 ALA H H 8.45 0.04 1 136 24 24 ALA HA H 4.20 0.04 1 137 24 24 ALA HB H 1.53 0.04 1 138 25 25 HIS H H 7.46 0.04 1 139 25 25 HIS HA H 4.53 0.04 1 140 25 25 HIS HB2 H 2.73 0.04 1 141 25 25 HIS HB3 H 3.61 0.04 1 142 25 25 HIS HD2 H 7.34 0.04 1 143 25 25 HIS HE1 H 7.74 0.04 1 144 26 26 GLY H H 7.78 0.04 1 145 26 26 GLY HA2 H 3.85 0.04 1 146 26 26 GLY HA3 H 4.12 0.04 1 147 27 27 ARG H H 7.89 0.04 1 148 27 27 ARG HA H 4.81 0.04 1 149 27 27 ARG HB2 H 1.73 0.04 1 150 27 27 ARG HB3 H 1.58 0.04 1 151 27 27 ARG HG2 H 1.42 0.04 1 152 27 27 ARG HG3 H 1.42 0.04 1 153 27 27 ARG HD2 H 3.06 0.04 1 154 27 27 ARG HD3 H 3.17 0.04 1 155 27 27 ARG HE H 7.84 0.04 1 156 28 28 SER H H 8.75 0.04 1 157 28 28 SER HA H 4.37 0.04 1 158 28 28 SER HB2 H 3.88 0.04 1 159 28 28 SER HB3 H 3.88 0.04 1 160 29 29 GLY H H 7.30 0.04 1 161 29 29 GLY HA2 H 4.03 0.04 1 162 29 29 GLY HA3 H 4.67 0.04 1 163 30 30 TYR H H 10.63 0.04 1 164 30 30 TYR HA H 5.07 0.04 1 165 30 30 TYR HB2 H 2.60 0.04 1 166 30 30 TYR HB3 H 1.71 0.04 1 167 31 31 ALA H H 8.20 0.04 1 168 31 31 ALA HA H 4.33 0.04 1 169 31 31 ALA HB H 0.94 0.04 1 170 32 32 TYR H H 7.16 0.04 1 171 32 32 TYR HA H 4.39 0.04 1 172 32 32 TYR HB2 H 2.82 0.04 1 173 32 32 TYR HB3 H 3.26 0.04 1 174 32 32 TYR HD1 H 6.42 0.04 1 175 32 32 TYR HD2 H 6.42 0.04 1 176 32 32 TYR HE1 H 6.01 0.04 1 177 32 32 TYR HE2 H 6.01 0.04 1 178 33 33 CYS H H 8.73 0.04 1 179 33 33 CYS HA H 6.33 0.04 1 180 33 33 CYS HB2 H 3.03 0.04 1 181 33 33 CYS HB3 H 3.83 0.04 1 182 34 34 SER H H 9.27 0.04 1 183 34 34 SER HA H 4.82 0.04 1 184 34 34 SER HB2 H 3.81 0.04 1 185 34 34 SER HB3 H 3.74 0.04 1 186 37 37 GLY H H 7.94 0.04 1 187 37 37 GLY HA2 H 4.59 0.04 1 188 37 37 GLY HA3 H 3.11 0.04 1 189 38 38 MET H H 8.78 0.04 1 190 38 38 MET HA H 4.78 0.04 1 191 38 38 MET HB2 H 2.02 0.04 1 192 38 38 MET HB3 H 1.74 0.04 1 193 38 38 MET HG2 H 2.28 0.04 1 194 38 38 MET HG3 H 2.41 0.04 1 195 39 39 TYR H H 8.95 0.04 1 196 39 39 TYR HA H 4.81 0.04 1 197 39 39 TYR HB2 H 1.68 0.04 1 198 39 39 TYR HB3 H 1.68 0.04 1 199 39 39 TYR HD1 H 6.68 0.04 1 200 39 39 TYR HD2 H 6.68 0.04 1 201 39 39 TYR HE1 H 6.79 0.04 1 202 39 39 TYR HE2 H 6.79 0.04 1 203 40 40 CYS H H 9.20 0.04 1 204 40 40 CYS HA H 5.04 0.04 1 205 40 40 CYS HB2 H 2.34 0.04 1 206 40 40 CYS HB3 H 3.42 0.04 1 207 41 41 ASN H H 8.52 0.04 1 208 41 41 ASN HA H 4.46 0.04 1 209 41 41 ASN HB2 H 2.38 0.04 1 210 41 41 ASN HB3 H 2.74 0.04 1 stop_ save_