data_677 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H NMR Study of Rabbit Skeletal Muscle Troponin C: Mg2+-Induced Conformational Change ; _BMRB_accession_number 677 _BMRB_flat_file_name bmr677.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-03-25 _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 Tsuda Sakae . . 2 Ogura Kenji . . 3 Hasegawa Yasushi . . 4 Yagi Koichi . . 5 Hikichi Kunio . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 98 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-11 revision BMRB 'Complete natural source information' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 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' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Tsuda, Sakae, Ogura, Kenji, Hasegawa, Yasushi, Yagi, Koichi, Hikichi, Kunio, "1H NMR Study of Rabbit Skeletal Muscle Troponin C: Mg2+-Induced Conformational Change," Biochemistry 29, 4951-4958 (1990). ; _Citation_title ; 1H NMR Study of Rabbit Skeletal Muscle Troponin C: Mg2+-Induced Conformational Change ; _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 Tsuda Sakae . . 2 Ogura Kenji . . 3 Hasegawa Yasushi . . 4 Yagi Koichi . . 5 Hikichi Kunio . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 29 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4951 _Page_last 4958 _Year 1990 _Details . save_ ################################## # Molecular system description # ################################## save_system_troponin_C _Saveframe_category molecular_system _Mol_system_name 'troponin C' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'troponin C' $troponin_C stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_troponin_C _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'troponin C' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 148 _Mol_residue_sequence ; XXXXXXXXXYXXXXXXXXXX XXFXXXXXXXGGDISXXXXX XXXXXXXXXXXXXXXXXXXX XVXXXXXGTIDFXXXXXXXX XXXXXXXXXXXXXXXXXXFX XXXXNADGYIDXXXXXXXXX XXXXHXXXXXXXXXXXXXXX XXXGRIDF ; loop_ _Residue_seq_code _Residue_label 1 X 2 X 3 X 4 X 5 X 6 X 7 X 8 X 9 X 10 TYR 11 X 12 X 13 X 14 X 15 X 16 X 17 X 18 X 19 X 20 X 21 X 22 X 23 PHE 24 X 25 X 26 X 27 X 28 X 29 X 30 X 31 GLY 32 GLY 33 ASP 34 ILE 35 SER 36 X 37 X 38 X 39 X 40 X 41 X 42 X 43 X 44 X 45 X 46 X 47 X 48 X 49 X 50 X 51 X 52 X 53 X 54 X 55 X 56 X 57 X 58 X 59 X 60 X 61 X 62 VAL 63 X 64 X 65 X 66 X 67 X 68 GLY 69 THR 70 ILE 71 ASP 72 PHE 73 X 74 X 75 X 76 X 77 X 78 X 79 X 80 X 81 X 82 X 83 X 84 X 85 X 86 X 87 X 88 X 89 X 90 X 91 X 92 X 93 X 94 X 95 X 96 X 97 X 98 X 99 PHE 100 X 101 X 102 X 103 X 104 X 105 ASN 106 ALA 107 ASP 108 GLY 109 TYR 110 ILE 111 ASP 112 X 113 X 114 X 115 X 116 X 117 X 118 X 119 X 120 X 121 X 122 X 123 X 124 X 125 HIS 126 X 127 X 128 X 129 X 130 X 131 X 132 X 133 X 134 X 135 X 136 X 137 X 138 X 139 X 140 X 141 X 142 X 143 X 144 GLY 145 ARG 146 ILE 147 ASP 148 PHE stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $troponin_C 'domestic rabbit' 9986 Eukaryota Metazoa Oryctolagus cuniculus 'skeletal muscle' 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 $troponin_C 'not available' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_one 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 7.8 . na temperature 313 . 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label TSP H . . ppm 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_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 'troponin C' _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 . 10 TYR HA H 4.44 . 1 2 . 10 TYR HB2 H 3.6 . 2 3 . 10 TYR HB3 H 3.06 . 2 4 . 10 TYR HD1 H 6.85 . 1 5 . 10 TYR HD2 H 6.85 . 1 6 . 10 TYR HE1 H 7.14 . 1 7 . 10 TYR HE2 H 7.14 . 1 8 . 23 PHE HA H 3.7 . 1 9 . 23 PHE HB2 H 3.28 . 2 10 . 23 PHE HB3 H 2.82 . 2 11 . 23 PHE HD1 H 6.7 . 1 12 . 23 PHE HD2 H 6.7 . 1 13 . 23 PHE HE1 H 7 . 1 14 . 23 PHE HE2 H 7 . 1 15 . 23 PHE HZ H 7.5 . 1 16 . 31 GLY HA2 H 3.8 . 2 17 . 31 GLY HA3 H 4.2 . 2 18 . 32 GLY HA2 H 3.85 . 2 19 . 32 GLY HA3 H 4.4 . 2 20 . 33 ASP HA H 5.61 . 1 21 . 33 ASP HB2 H 2.64 . 2 22 . 33 ASP HB3 H 2.48 . 2 23 . 34 ILE HA H 4.76 . 1 24 . 34 ILE HB H 1.67 . 1 25 . 34 ILE HG12 H 1.05 . 2 26 . 34 ILE HG13 H .73 . 2 27 . 34 ILE HG2 H -.1 . 1 28 . 34 ILE HD1 H .24 . 1 29 . 35 SER HA H 4.79 . 1 30 . 35 SER HB2 H 4.18 . 2 31 . 35 SER HB3 H 3.81 . 2 32 . 62 VAL HA H 3.53 . 1 33 . 62 VAL HB H 1.77 . 1 34 . 62 VAL HG1 H .78 . 2 35 . 62 VAL HG2 H .56 . 2 36 . 69 THR HA H 5.38 . 1 37 . 69 THR HB H 4.05 . 1 38 . 69 THR HG2 H 1.05 . 1 39 . 70 ILE HA H 4.82 . 1 40 . 70 ILE HB H 1.92 . 1 41 . 70 ILE HG2 H 1.04 . 1 42 . 71 ASP HA H 5.68 . 1 43 . 71 ASP HB2 H 3.25 . 2 44 . 71 ASP HB3 H 2.87 . 2 45 . 72 PHE HA H 3.54 . 1 46 . 72 PHE HB2 H 2.69 . 2 47 . 72 PHE HB3 H 2.48 . 2 48 . 72 PHE HD1 H 6.49 . 1 49 . 72 PHE HD2 H 6.49 . 1 50 . 72 PHE HE1 H 7.13 . 1 51 . 72 PHE HE2 H 7.13 . 1 52 . 72 PHE HZ H 7.43 . 1 53 . 99 PHE HA H 3.45 . 1 54 . 99 PHE HB2 H 2.53 . 2 55 . 99 PHE HB3 H 2.18 . 2 56 . 99 PHE HD1 H 6.67 . 1 57 . 99 PHE HD2 H 6.67 . 1 58 . 99 PHE HE1 H 7.26 . 1 59 . 99 PHE HE2 H 7.26 . 1 60 . 99 PHE HZ H 7.3 . 1 61 . 107 ASP HA H 4.8 . 1 62 . 107 ASP HB2 H 3.25 . 2 63 . 107 ASP HB3 H 3 . 2 64 . 108 GLY HA2 H 3.52 . 2 65 . 108 GLY HA3 H 4.15 . 2 66 . 109 TYR HA H 5.74 . 1 67 . 109 TYR HB2 H 2.89 . 2 68 . 109 TYR HB3 H 2.75 . 2 69 . 110 ILE HA H 5.16 . 1 70 . 110 ILE HB H 2.12 . 1 71 . 110 ILE HG2 H .08 . 1 72 . 111 ASP HA H 5.3 . 1 73 . 111 ASP HB2 H 3.3 . 2 74 . 111 ASP HB3 H 2.68 . 2 75 . 125 HIS HA H 4.6 . 1 76 . 125 HIS HB2 H 3.02 . 1 77 . 125 HIS HB3 H 3.02 . 1 78 . 125 HIS HD2 H 7.16 . 1 79 . 125 HIS HE1 H 8.06 . 1 80 . 144 GLY HA2 H 3.8 . 2 81 . 144 GLY HA3 H 4.2 . 2 82 . 145 ARG HA H 5.39 . 1 83 . 145 ARG HB2 H 1.61 . 1 84 . 145 ARG HB3 H 1.61 . 1 85 . 146 ILE HA H 5.33 . 1 86 . 146 ILE HB H 2.45 . 1 87 . 146 ILE HG2 H 1.01 . 1 88 . 147 ASP HA H 5.47 . 1 89 . 147 ASP HB2 H 3.08 . 2 90 . 147 ASP HB3 H 2.68 . 2 91 . 148 PHE HA H 3.6 . 1 92 . 148 PHE HB2 H 3.24 . 2 93 . 148 PHE HB3 H 2.9 . 2 94 . 148 PHE HD1 H 6.52 . 1 95 . 148 PHE HD2 H 6.52 . 1 96 . 148 PHE HE1 H 6.9 . 1 97 . 148 PHE HE2 H 6.9 . 1 98 . 148 PHE HZ H 7.25 . 1 stop_ save_