data_186 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Proton NMR Studies of Plastocyanin: Assignment of Aromatic and Methyl Group Resonances from Two-Dimensional Spectra ; _BMRB_accession_number 186 _BMRB_flat_file_name bmr186.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 King Garry C. . 2 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" 84 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-10 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 ; King, Garry C., Wright, Peter E., "Proton NMR Studies of Plastocyanin: Assignment of Aromatic and Methyl Group Resonances from Two-Dimensional Spectra," Biochemistry 25, 2364-2374 (1986). ; _Citation_title ; Proton NMR Studies of Plastocyanin: Assignment of Aromatic and Methyl Group Resonances from Two-Dimensional Spectra ; _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 King Garry C. . 2 Wright Peter E. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 25 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2364 _Page_last 2374 _Year 1986 _Details . save_ ################################## # Molecular system description # ################################## save_system_plastocyanin _Saveframe_category molecular_system _Mol_system_name plastocyanin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label plastocyanin $plastocyanin stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_plastocyanin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common plastocyanin _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 98 _Mol_residue_sequence ; IXVXXXXXXXXLXFXXXXFX IXXXXXIVFXXXAXFXHXVV FXXXXIXAXVXAVXIXMXXX XXXXAXXXTFVVTLXTXXTY XFYXXXHXXAXMXXXVTV ; loop_ _Residue_seq_code _Residue_label 1 ILE 2 X 3 VAL 4 X 5 X 6 X 7 X 8 X 9 X 10 X 11 X 12 LEU 13 X 14 PHE 15 X 16 X 17 X 18 X 19 PHE 20 X 21 ILE 22 X 23 X 24 X 25 X 26 X 27 ILE 28 VAL 29 PHE 30 X 31 X 32 X 33 ALA 34 X 35 PHE 36 X 37 HIS 38 X 39 VAL 40 VAL 41 PHE 42 X 43 X 44 X 45 X 46 ILE 47 X 48 ALA 49 X 50 VAL 51 X 52 ALA 53 VAL 54 X 55 ILE 56 X 57 MET 58 X 59 X 60 X 61 X 62 X 63 X 64 X 65 ALA 66 X 67 X 68 X 69 THR 70 PHE 71 VAL 72 VAL 73 THR 74 LEU 75 X 76 THR 77 X 78 X 79 THR 80 TYR 81 X 82 PHE 83 TYR 84 X 85 X 86 X 87 HIS 88 X 89 X 90 ALA 91 X 92 MET 93 X 94 X 95 X 96 VAL 97 THR 98 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 187 plastocyanin 88.78 98 100.00 100.00 4.25e-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 _Strain _Tissue $plastocyanin 'poplar tree' 3691 Eukaryota Viridiplantae Populus nigra generic leaf 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 $plastocyanin '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 7.5 . na temperature 308 . 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 DSS 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 plastocyanin _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 . 3 VAL HB H 1.42 . 1 2 . 3 VAL HG1 H 1.11 . 1 3 . 3 VAL HG2 H -.08 . 1 4 . 12 LEU HA H 4.05 . 1 5 . 12 LEU HG H 1.59 . 1 6 . 12 LEU HD1 H .61 . 1 7 . 12 LEU HD2 H .33 . 1 8 . 19 PHE HA H 5.13 . 1 9 . 19 PHE HB2 H 3.16 . 2 10 . 19 PHE HB3 H 3.36 . 2 11 . 19 PHE HD1 H 6.82 . 1 12 . 19 PHE HD2 H 6.82 . 1 13 . 19 PHE HE1 H 6.97 . 1 14 . 19 PHE HE2 H 6.97 . 1 15 . 19 PHE HZ H 6.65 . 1 16 . 27 ILE HB H 1.62 . 1 17 . 27 ILE HG2 H -.11 . 1 18 . 29 PHE HD1 H 7.18 . 1 19 . 29 PHE HD2 H 7.18 . 1 20 . 29 PHE HE1 H 6.63 . 1 21 . 29 PHE HE2 H 6.63 . 1 22 . 29 PHE HZ H 5.8 . 1 23 . 33 ALA HA H 4.68 . 1 24 . 33 ALA HB H 1.31 . 1 25 . 35 PHE HD1 H 6.72 . 1 26 . 35 PHE HD2 H 6.72 . 1 27 . 35 PHE HE1 H 7.24 . 1 28 . 35 PHE HE2 H 7.24 . 1 29 . 35 PHE HZ H 7.42 . 1 30 . 37 HIS HD2 H 7.61 . 1 31 . 37 HIS HE1 H 7.14 . 1 32 . 39 VAL HA H 4.19 . 1 33 . 39 VAL HB H 1.27 . 1 34 . 39 VAL HG1 H .24 . 1 35 . 39 VAL HG2 H -.28 . 1 36 . 40 VAL HG1 H .79 . 1 37 . 40 VAL HG2 H .66 . 1 38 . 41 PHE HD1 H 7.31 . 1 39 . 41 PHE HD2 H 7.31 . 1 40 . 41 PHE HE1 H 7.21 . 1 41 . 41 PHE HE2 H 7.21 . 1 42 . 41 PHE HZ H 6.74 . 1 43 . 50 VAL HG1 H .83 . 1 44 . 55 ILE HG12 H 1.11 . 1 45 . 55 ILE HG13 H 1.11 . 1 46 . 55 ILE HD1 H -.03 . 1 47 . 57 MET HE H 1.86 . 1 48 . 69 THR HA H 4.28 . 1 49 . 69 THR HB H 4.12 . 1 50 . 69 THR HG2 H 1.12 . 1 51 . 70 PHE HD1 H 7.09 . 1 52 . 70 PHE HD2 H 7.09 . 1 53 . 70 PHE HE1 H 7.22 . 1 54 . 70 PHE HE2 H 7.22 . 1 55 . 70 PHE HZ H 6.92 . 1 56 . 74 LEU HA H 4.43 . 1 57 . 74 LEU HG H 1.21 . 1 58 . 74 LEU HD1 H -.24 . 1 59 . 74 LEU HD2 H .24 . 1 60 . 80 TYR HD1 H 7.14 . 1 61 . 80 TYR HD2 H 7.14 . 1 62 . 80 TYR HE1 H 6.55 . 1 63 . 80 TYR HE2 H 6.55 . 1 64 . 82 PHE HB2 H 1.39 . 2 65 . 82 PHE HB3 H 1.94 . 2 66 . 82 PHE HD1 H 6.21 . 1 67 . 82 PHE HD2 H 6.21 . 1 68 . 82 PHE HE1 H 5.99 . 1 69 . 82 PHE HE2 H 5.99 . 1 70 . 82 PHE HZ H 6.93 . 1 71 . 83 TYR HD1 H 6.66 . 1 72 . 83 TYR HD2 H 6.66 . 1 73 . 83 TYR HE1 H 6.42 . 1 74 . 83 TYR HE2 H 6.42 . 1 75 . 87 HIS HA H 5.16 . 1 76 . 87 HIS HD2 H 7 . 1 77 . 87 HIS HE1 H 7.66 . 1 78 . 90 ALA HA H 4.58 . 1 79 . 90 ALA HB H 1.6 . 1 80 . 92 MET HE H .52 . 1 81 . 97 THR HA H 5.1 . 1 82 . 97 THR HB H 3.92 . 1 83 . 97 THR HG2 H 1.26 . 1 84 . 98 VAL HG2 H .72 . 1 stop_ save_