data_1817 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The Solution Conformation of Tubulin-beta(422-434)-NH2 and Its Nac-DATADEQG-NH2 Fragment Based on NMR ; _BMRB_accession_number 1817 _BMRB_flat_file_name bmr1817.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 Otter Albin . . 2 Scott Paul G. . 3 Maccioni Ricardo B. . 4 Kotovych George . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 67 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1995-07-31 original BMRB 'Last release in original BMRB flat-file format' 1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Otter, Albin, Scott, Paul G., Maccioni, Ricardo B., Kotovych, George, "The Solution Conformation of Tubulin-beta(422-434)-NH2 and Its Nac-DATADEQG-NH2 Fragment Based on NMR," Biopolymers 31, 449-458 (1991). ; _Citation_title ; The Solution Conformation of Tubulin-beta(422-434)-NH2 and Its Nac-DATADEQG-NH2 Fragment Based on NMR ; _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 Otter Albin . . 2 Scott Paul G. . 3 Maccioni Ricardo B. . 4 Kotovych George . . stop_ _Journal_abbreviation Biopolymers _Journal_volume 31 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 449 _Page_last 458 _Year 1991 _Details . save_ ################################## # Molecular system description # ################################## save_system_tubulin-beta _Saveframe_category molecular_system _Mol_system_name tubulin-beta _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label tubulin-beta $tubulin-beta stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_tubulin-beta _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common tubulin-beta _Name_variant 'residues 422-434' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 12 _Mol_residue_sequence YQQYQDATADEQ loop_ _Residue_seq_code _Residue_label 1 TYR 2 GLN 3 GLN 4 TYR 5 GLN 6 ASP 7 ALA 8 THR 9 ALA 10 ASP 11 GLU 12 GLN stop_ _Sequence_homology_query_date 2005-11-24 _Sequence_homology_query_revised_last_date 2002-02-02 save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $tubulin-beta '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_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.7 . na temperature 295 . 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 TMS 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 tubulin-beta _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 TYR HA H 3.77 . 1 2 . 1 TYR HB2 H 2.97 . 2 3 . 1 TYR HB3 H 2.83 . 2 4 . 1 TYR HD1 H 7.04 . 1 5 . 1 TYR HD2 H 7.04 . 1 6 . 1 TYR HE1 H 6.75 . 1 7 . 1 TYR HE2 H 6.75 . 1 8 . 2 GLN H H 8.24 . 1 9 . 2 GLN HA H 4.25 . 1 10 . 2 GLN HB2 H 2.05 . 1 11 . 2 GLN HB3 H 2.05 . 1 12 . 2 GLN HG2 H 2.35 . 1 13 . 2 GLN HG3 H 2.35 . 1 14 . 2 GLN HE21 H 7.69 . 2 15 . 2 GLN HE22 H 6.75 . 2 16 . 3 GLN H H 8.65 . 1 17 . 3 GLN HA H 4.22 . 1 18 . 3 GLN HB2 H 1.96 . 2 19 . 3 GLN HB3 H 1.9 . 2 20 . 3 GLN HG2 H 2.24 . 2 21 . 3 GLN HG3 H 2.15 . 2 22 . 3 GLN HE21 H 7.54 . 2 23 . 3 GLN HE22 H 6.82 . 2 24 . 4 TYR H H 8.13 . 1 25 . 4 TYR HA H 4.46 . 1 26 . 4 TYR HB2 H 3.07 . 2 27 . 4 TYR HB3 H 2.93 . 2 28 . 4 TYR HD1 H 7.06 . 1 29 . 4 TYR HD2 H 7.06 . 1 30 . 4 TYR HE1 H 6.72 . 1 31 . 4 TYR HE2 H 6.72 . 1 32 . 5 GLN H H 8.21 . 1 33 . 5 GLN HA H 4.25 . 1 34 . 5 GLN HB2 H 2.05 . 2 35 . 5 GLN HB3 H 1.98 . 2 36 . 5 GLN HG2 H 2.28 . 1 37 . 5 GLN HG3 H 2.28 . 1 38 . 6 ASP H H 8.24 . 1 39 . 6 ASP HA H 4.57 . 1 40 . 6 ASP HB2 H 2.72 . 2 41 . 6 ASP HB3 H 2.65 . 2 42 . 7 ALA H H 8.34 . 1 43 . 7 ALA HA H 4.31 . 1 44 . 7 ALA HB H 1.43 . 1 45 . 8 THR H H 8.18 . 1 46 . 8 THR HA H 4.24 . 1 47 . 8 THR HB H 4.27 . 1 48 . 8 THR HG2 H 1.2 . 1 49 . 9 ALA H H 8.1 . 1 50 . 9 ALA HA H 4.26 . 1 51 . 9 ALA HB H 1.4 . 1 52 . 10 ASP H H 8.11 . 1 53 . 10 ASP HA H 4.52 . 1 54 . 10 ASP HB2 H 2.67 . 1 55 . 10 ASP HB3 H 2.67 . 1 56 . 11 GLU H H 8.53 . 1 57 . 11 GLU HA H 4.17 . 1 58 . 11 GLU HB2 H 2.05 . 1 59 . 11 GLU HB3 H 2.05 . 1 60 . 11 GLU HG2 H 2.28 . 1 61 . 11 GLU HG3 H 2.28 . 1 62 . 12 GLN H H 8.24 . 1 63 . 12 GLN HA H 4.25 . 1 64 . 12 GLN HB2 H 2.05 . 1 65 . 12 GLN HB3 H 2.05 . 1 66 . 12 GLN HG2 H 2.35 . 1 67 . 12 GLN HG3 H 2.35 . 1 stop_ save_