data_6154 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H Assigned Chemical Shifts for FMBP-1 tandem repeat 3 ; _BMRB_accession_number 6154 _BMRB_flat_file_name bmr6154.str _Entry_type original _Submission_date 2004-03-22 _Accession_date 2004-03-22 _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 Kawaguchi Kyosuke . . 2 Yamaki Takeshi . . 3 Aizawa Tomoyasu . . 4 Takiya Shigeharu . . 5 Demura Makoto . . 6 Nitta Katsutoshi . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 140 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-06-30 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 6155 'tandem repeat 4 of FMBP-1 (residues 168-190)' 6156 'tandem repeat 1 of FMBP-1 (residues 99-121)' 6157 'tandem repeat 2 of FMBP-1 (residues 122-144)' stop_ _Original_release_date 2004-06-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H Assigned Chemical Shifts for FMBP-1 tandem repeat 3' _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 Kawaguchi Kyosuke . . 2 Yamaki Takeshi . . 3 Aizawa Tomoyasu . . 4 Takiya Shigeharu . . 5 Demura Makoto . . 6 Nitta Katsutoshi . . 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 . loop_ _Keyword 'Bombyx mori' 'DNA binding' FMBP-1 N-cap NMR 'silk gland' 'tandem repeat' transcription stop_ save_ ################################## # Molecular system description # ################################## save_system_FMBP-1 _Saveframe_category molecular_system _Mol_system_name 'tandem repeat 3 of fibroin-modulator-binding-protein-1(residues 145-167)' _Abbreviation_common FMBP-1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label FMBP-1 $FMBP-1 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_FMBP-1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common fibroin-modulator-binding-protein-1 _Abbreviation_common FMBP-1 _Molecular_mass 2704 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 23 _Mol_residue_sequence ; ETREQRAIRLARMSAYAARR LAN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLU 2 2 THR 3 3 ARG 4 4 GLU 5 5 GLN 6 6 ARG 7 7 ALA 8 8 ILE 9 9 ARG 10 10 LEU 11 11 ALA 12 12 ARG 13 13 MET 14 14 SER 15 15 ALA 16 16 TYR 17 17 ALA 18 18 ALA 19 19 ARG 20 20 ARG 21 21 LEU 22 22 ALA 23 23 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 BMRB 6296 FMBP-1 100.00 23 100.00 100.00 1.36e-04 PDB 1VD9 "Solution Structure Of Fmbp-1 Tandem Repeat 3" 100.00 23 100.00 100.00 1.36e-04 PDB 1WNK "Nmr Structure Of Fmbp-1 Tandem Repeat 3 In 30%(VV) TFE Solution" 100.00 23 100.00 100.00 1.36e-04 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $FMBP-1 Silkworm 7091 Eukaryota Metazoa Bombyx mori 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 $FMBP-1 'chemical synthesis' . . . . . 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 $FMBP-1 1.5 mM . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Task 'raw spectral data processing' stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Task assignments 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Jeol _Model ALPHA _Field_strength 600 _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_ ####################### # Sample conditions # ####################### save_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.0 0.3 pH temperature 293 0.1 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name FMBP-1 _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 GLU HA H 4.23 0.02 1 2 1 1 GLU HB2 H 2.12 0.02 1 3 1 1 GLU HB3 H 2.12 0.02 1 4 1 1 GLU HG2 H 2.32 0.02 1 5 1 1 GLU HG3 H 2.32 0.02 1 6 2 2 THR H H 8.94 0.02 1 7 2 2 THR HA H 4.54 0.02 1 8 2 2 THR HB H 4.72 0.02 1 9 2 2 THR HG2 H 1.30 0.02 1 10 3 3 ARG H H 9.01 0.02 1 11 3 3 ARG HA H 4.07 0.02 1 12 3 3 ARG HB2 H 1.86 0.02 2 13 3 3 ARG HB3 H 1.89 0.02 2 14 3 3 ARG HG2 H 1.66 0.02 2 15 3 3 ARG HG3 H 1.76 0.02 2 16 3 3 ARG HD2 H 3.23 0.02 1 17 3 3 ARG HD3 H 3.23 0.02 1 18 3 3 ARG HE H 7.25 0.02 1 19 4 4 GLU H H 8.64 0.02 1 20 4 4 GLU HA H 4.17 0.02 1 21 4 4 GLU HB2 H 1.98 0.02 2 22 4 4 GLU HB3 H 2.08 0.02 2 23 4 4 GLU HG2 H 2.41 0.02 2 24 4 4 GLU HG3 H 2.50 0.02 2 25 5 5 GLN H H 7.92 0.02 1 26 5 5 GLN HA H 3.98 0.02 1 27 5 5 GLN HB2 H 2.25 0.02 1 28 5 5 GLN HB3 H 2.25 0.02 1 29 5 5 GLN HG2 H 2.05 0.02 2 30 5 5 GLN HG3 H 2.47 0.02 2 31 5 5 GLN HE21 H 6.91 0.02 2 32 5 5 GLN HE22 H 7.60 0.02 2 33 6 6 ARG H H 8.46 0.02 1 34 6 6 ARG HA H 4.00 0.02 1 35 6 6 ARG HB2 H 1.76 0.02 2 36 6 6 ARG HB3 H 1.86 0.02 2 37 6 6 ARG HG2 H 1.53 0.02 2 38 6 6 ARG HG3 H 1.59 0.02 2 39 6 6 ARG HD2 H 3.19 0.02 1 40 6 6 ARG HD3 H 3.19 0.02 1 41 6 6 ARG HE H 7.28 0.02 1 42 7 7 ALA H H 7.94 0.02 1 43 7 7 ALA HA H 4.09 0.02 1 44 7 7 ALA HB H 1.49 0.02 1 45 8 8 ILE H H 7.83 0.02 1 46 8 8 ILE HA H 3.83 0.02 1 47 8 8 ILE HB H 1.86 0.02 1 48 8 8 ILE HG12 H 1.19 0.02 2 49 8 8 ILE HG13 H 1.67 0.02 2 50 8 8 ILE HG2 H 0.92 0.02 1 51 8 8 ILE HD1 H 0.84 0.02 1 52 9 9 ARG H H 8.05 0.02 1 53 9 9 ARG HA H 4.08 0.02 1 54 9 9 ARG HB2 H 1.80 0.02 2 55 9 9 ARG HB3 H 2.04 0.02 2 56 9 9 ARG HG2 H 1.54 0.02 2 57 9 9 ARG HG3 H 1.61 0.02 2 58 9 9 ARG HD2 H 3.11 0.02 2 59 9 9 ARG HD3 H 3.35 0.02 2 60 9 9 ARG HE H 8.69 0.02 1 61 10 10 LEU H H 8.51 0.02 1 62 10 10 LEU HA H 4.15 0.02 1 63 10 10 LEU HB2 H 1.76 0.02 1 64 10 10 LEU HB3 H 1.76 0.02 1 65 10 10 LEU HG H 1.53 0.02 1 66 10 10 LEU HD1 H 0.86 0.02 1 67 10 10 LEU HD2 H 0.86 0.02 1 68 11 11 ALA H H 7.94 0.02 1 69 11 11 ALA HA H 4.22 0.02 1 70 11 11 ALA HB H 1.49 0.02 1 71 12 12 ARG H H 8.01 0.02 1 72 12 12 ARG HA H 4.20 0.02 1 73 12 12 ARG HB2 H 1.91 0.02 2 74 12 12 ARG HB3 H 1.93 0.02 2 75 12 12 ARG HG2 H 1.65 0.02 2 76 12 12 ARG HG3 H 1.79 0.02 2 77 12 12 ARG HD2 H 3.19 0.02 1 78 12 12 ARG HD3 H 3.19 0.02 1 79 12 12 ARG HE H 7.21 0.02 1 80 13 13 MET H H 8.08 0.02 1 81 13 13 MET HA H 4.39 0.02 1 82 13 13 MET HB2 H 2.14 0.02 2 83 13 13 MET HB3 H 2.20 0.02 2 84 13 13 MET HG2 H 2.62 0.02 2 85 13 13 MET HG3 H 2.73 0.02 2 86 14 14 SER H H 8.17 0.02 1 87 14 14 SER HA H 4.37 0.02 1 88 14 14 SER HB2 H 3.93 0.02 2 89 14 14 SER HB3 H 3.98 0.02 2 90 15 15 ALA H H 8.12 0.02 1 91 15 15 ALA HA H 4.23 0.02 1 92 15 15 ALA HB H 1.37 0.02 1 93 16 16 TYR H H 8.04 0.02 1 94 16 16 TYR HA H 4.40 0.02 1 95 16 16 TYR HB2 H 3.05 0.02 2 96 16 16 TYR HB3 H 3.09 0.02 2 97 16 16 TYR HD1 H 7.14 0.02 3 98 16 16 TYR HD2 H 7.15 0.02 3 99 16 16 TYR HE1 H 6.82 0.02 1 100 16 16 TYR HE2 H 6.82 0.02 1 101 17 17 ALA H H 7.98 0.02 1 102 17 17 ALA HA H 4.23 0.02 1 103 17 17 ALA HB H 1.42 0.02 1 104 18 18 ALA H H 7.98 0.02 1 105 18 18 ALA HA H 4.17 0.02 1 106 18 18 ALA HB H 1.42 0.02 1 107 19 19 ARG H H 7.95 0.02 1 108 19 19 ARG HA H 4.24 0.02 1 109 19 19 ARG HB2 H 1.79 0.02 2 110 19 19 ARG HB3 H 1.84 0.02 2 111 19 19 ARG HG2 H 1.62 0.02 2 112 19 19 ARG HG3 H 1.66 0.02 2 113 19 19 ARG HD2 H 3.16 0.02 1 114 19 19 ARG HD3 H 3.16 0.02 1 115 19 19 ARG HE H 7.18 0.02 1 116 20 20 ARG H H 8.16 0.02 1 117 20 20 ARG HA H 4.24 0.02 1 118 20 20 ARG HB2 H 1.74 0.02 2 119 20 20 ARG HB3 H 1.83 0.02 2 120 20 20 ARG HG2 H 1.57 0.02 2 121 20 20 ARG HG3 H 1.61 0.02 2 122 20 20 ARG HD2 H 3.16 0.02 1 123 20 20 ARG HD3 H 3.16 0.02 1 124 20 20 ARG HE H 7.19 0.02 1 125 21 21 LEU H H 8.17 0.02 1 126 21 21 LEU HA H 4.27 0.02 1 127 21 21 LEU HB2 H 1.64 0.02 1 128 21 21 LEU HB3 H 1.64 0.02 1 129 21 21 LEU HG H 1.38 0.02 1 130 21 21 LEU HD1 H 0.85 0.02 2 131 21 21 LEU HD2 H 0.91 0.02 2 132 22 22 ALA H H 8.18 0.02 1 133 22 22 ALA HA H 4.33 0.02 1 134 22 22 ALA HB H 1.38 0.02 1 135 23 23 ASN H H 8.05 0.02 1 136 23 23 ASN HA H 4.53 0.02 1 137 23 23 ASN HB2 H 2.71 0.02 2 138 23 23 ASN HB3 H 2.78 0.02 2 139 23 23 ASN HD21 H 6.83 0.02 2 140 23 23 ASN HD22 H 7.56 0.02 2 stop_ save_