data_18528 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H chemical shifts for the C-terminal alfa-tubulin 404-451 fragment ; _BMRB_accession_number 18528 _BMRB_flat_file_name bmr18528.str _Entry_type original _Submission_date 2012-06-17 _Accession_date 2012-06-17 _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 Jimenez 'M. Angeles' . . 2 Andreu Jose M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 261 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-07-13 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 18527 'beta tubulin 394-445' stop_ _Original_release_date 2012-06-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Helicity of alpha(404-451) and bet(394-445) tubulin C-terminal recombinant peptides ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 10211825 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Andreu 'M. Angeles' . . 2 Evangelio Juan A. . 3 Aranda Carlos . . 4 Lopez-Brauet Adamari . . 5 Andreu David . . 6 Rico Manuel . . 7 Lagos Rosalba . . 8 Andreu Jose M. . 9 Monasterio Octavio . . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_volume 8 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 788 _Page_last 799 _Year 1999 _Details . loop_ _Keyword CD helix microtubule tubulin stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'alpha tubulin 404-451' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'alpha tubulin 404-451' $alpha_tubulin_404-451 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_alpha_tubulin_404-451 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common alpha_tubulin_404-451 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 48 _Mol_residue_sequence ; FVHWYVGEGMEEGEFSEARE DMAALEKDYEEVGVDSVEGE GEEEGEEY ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 404 PHE 2 405 VAL 3 406 HIS 4 407 TRP 5 408 TYR 6 409 VAL 7 410 GLY 8 411 GLU 9 412 GLY 10 413 MET 11 414 GLU 12 415 GLU 13 416 GLY 14 417 GLU 15 418 PHE 16 419 SER 17 420 GLU 18 421 ALA 19 422 ARG 20 423 GLU 21 424 ASP 22 425 MET 23 426 ALA 24 427 ALA 25 428 LEU 26 429 GLU 27 430 LYS 28 431 ASP 29 432 TYR 30 433 GLU 31 434 GLU 32 435 VAL 33 436 GLY 34 437 VAL 35 438 ASP 36 439 SER 37 440 VAL 38 441 GLU 39 442 GLY 40 443 GLU 41 444 GLY 42 445 GLU 43 446 GLU 44 447 GLU 45 448 GLY 46 449 GLU 47 450 GLU 48 451 TYR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $alpha_tubulin_404-451 Humans 9606 Eukaryota Metazoa Homo sapiens 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 $alpha_tubulin_404-451 'recombinant technology' . Escherichia coli . pT7-7 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 $alpha_tubulin_404-451 2 mM 'natural abundance' H2O 63 % 'natural abundance' D2O 7 % '[U-100% 2H]' TFE 30 v/v '[U-99% 2H]' TSP 0.2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_COSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . M pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 TSP H 1 'methyl protons' ppm 0 internal direct . . . 1 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H COSY' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'alpha tubulin 404-451' _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 1 404 1 PHE HA H 4.24 0.01 1 2 404 1 PHE HB2 H 3.07 0.01 2 3 404 1 PHE HB3 H 3.14 0.01 2 4 404 1 PHE HD1 H 7.18 0.01 3 5 404 1 PHE HD2 H 7.18 0.01 3 6 404 1 PHE HE1 H 7.30 0.01 3 7 404 1 PHE HE2 H 7.30 0.01 3 8 404 1 PHE HZ H 7.14 0.01 1 9 405 2 VAL HA H 4.04 0.01 1 10 405 2 VAL HB H 1.83 0.01 1 11 405 2 VAL HG1 H 0.68 0.01 2 12 405 2 VAL HG2 H 0.80 0.01 2 13 406 3 HIS H H 7.84 0.01 1 14 406 3 HIS HA H 4.59 0.01 1 15 406 3 HIS HB2 H 3.00 0.01 1 16 406 3 HIS HB3 H 3.00 0.01 1 17 406 3 HIS HD2 H 7.05 0.01 1 18 406 3 HIS HE1 H 8.08 0.01 1 19 407 4 TRP H H 7.84 0.01 1 20 407 4 TRP HA H 4.64 0.01 1 21 407 4 TRP HB2 H 3.17 0.01 1 22 407 4 TRP HB3 H 3.17 0.01 1 23 407 4 TRP HD1 H 7.14 0.01 1 24 407 4 TRP HE1 H 10.06 0.01 1 25 407 4 TRP HE3 H 7.50 0.01 1 26 407 4 TRP HZ2 H 7.47 0.01 1 27 407 4 TRP HZ3 H 7.12 0.01 1 28 407 4 TRP HH2 H 7.21 0.01 1 29 408 5 TYR H H 7.79 0.01 1 30 408 5 TYR HA H 4.49 0.01 1 31 408 5 TYR HB2 H 2.78 0.01 1 32 408 5 TYR HB3 H 2.78 0.01 1 33 408 5 TYR HD1 H 6.95 0.01 3 34 408 5 TYR HD2 H 6.95 0.01 3 35 408 5 TYR HE1 H 6.76 0.01 3 36 408 5 TYR HE2 H 6.76 0.01 3 37 409 6 VAL H H 7.76 0.01 1 38 409 6 VAL HA H 4.04 0.01 1 39 409 6 VAL HB H 2.03 0.01 1 40 409 6 VAL HG1 H 0.88 0.01 1 41 409 6 VAL HG2 H 0.88 0.01 1 42 411 8 GLU H H 8.25 0.01 1 43 411 8 GLU HA H 4.31 0.01 1 44 411 8 GLU HB2 H 1.97 0.01 2 45 411 8 GLU HB3 H 2.09 0.01 2 46 411 8 GLU HG2 H 2.29 0.01 1 47 411 8 GLU HG3 H 2.29 0.01 1 48 412 9 GLY H H 8.56 0.01 1 49 412 9 GLY HA2 H 3.91 0.01 2 50 412 9 GLY HA3 H 4.01 0.01 2 51 413 10 MET H H 8.06 0.01 1 52 413 10 MET HA H 4.50 0.01 1 53 413 10 MET HB2 H 2.02 0.01 2 54 413 10 MET HB3 H 2.11 0.01 2 55 413 10 MET HG2 H 2.47 0.01 2 56 413 10 MET HG3 H 2.54 0.01 2 57 414 11 GLU H H 8.59 0.01 1 58 414 11 GLU HA H 4.32 0.01 1 59 414 11 GLU HB2 H 1.98 0.01 2 60 414 11 GLU HB3 H 2.11 0.01 2 61 414 11 GLU HG2 H 2.31 0.01 1 62 414 11 GLU HG3 H 2.31 0.01 1 63 415 12 GLU H H 8.49 0.01 1 64 415 12 GLU HA H 4.26 0.01 1 65 415 12 GLU HB2 H 2.01 0.01 2 66 415 12 GLU HB3 H 2.12 0.01 2 67 415 12 GLU HG2 H 2.31 0.01 1 68 415 12 GLU HG3 H 2.31 0.01 1 69 416 13 GLY H H 8.36 0.01 1 70 416 13 GLY HA2 H 3.94 0.01 1 71 416 13 GLY HA3 H 3.94 0.01 1 72 417 14 GLU H H 8.17 0.01 1 73 417 14 GLU HA H 4.24 0.01 1 74 417 14 GLU HB2 H 1.91 0.01 2 75 417 14 GLU HB3 H 1.94 0.01 2 76 417 14 GLU HG2 H 2.13 0.01 2 77 417 14 GLU HG3 H 2.19 0.01 2 78 418 15 PHE H H 8.23 0.01 1 79 418 15 PHE HA H 4.66 0.01 1 80 418 15 PHE HB2 H 3.03 0.01 2 81 418 15 PHE HB3 H 3.19 0.01 2 82 418 15 PHE HD1 H 7.24 0.01 3 83 418 15 PHE HD2 H 7.24 0.01 3 84 418 15 PHE HE1 H 7.32 0.01 3 85 418 15 PHE HE2 H 7.32 0.01 3 86 419 16 SER H H 8.09 0.01 1 87 419 16 SER HA H 4.36 0.01 1 88 419 16 SER HB2 H 3.84 0.01 2 89 419 16 SER HB3 H 3.92 0.01 2 90 420 17 GLU H H 8.37 0.01 1 91 420 17 GLU HA H 4.26 0.01 1 92 420 17 GLU HB2 H 1.99 0.01 2 93 420 17 GLU HB3 H 2.11 0.01 2 94 420 17 GLU HG2 H 2.31 0.01 1 95 420 17 GLU HG3 H 2.31 0.01 1 96 421 18 ALA H H 8.15 0.01 1 97 421 18 ALA HA H 4.32 0.01 1 98 421 18 ALA HB H 1.41 0.01 1 99 422 19 ARG H H 8.10 0.01 1 100 422 19 ARG HA H 4.25 0.01 1 101 422 19 ARG HB2 H 1.80 0.01 2 102 422 19 ARG HB3 H 1.91 0.01 2 103 422 19 ARG HG2 H 1.62 0.01 2 104 422 19 ARG HG3 H 1.67 0.01 2 105 422 19 ARG HD2 H 3.18 0.01 1 106 422 19 ARG HD3 H 3.18 0.01 1 107 422 19 ARG HE H 7.47 0.01 1 108 423 20 GLU H H 8.44 0.01 1 109 423 20 GLU HA H 4.20 0.01 1 110 423 20 GLU HB2 H 2.02 0.01 2 111 423 20 GLU HB3 H 2.09 0.01 2 112 423 20 GLU HG2 H 2.33 0.01 1 113 423 20 GLU HG3 H 2.33 0.01 1 114 424 21 ASP H H 8.28 0.01 1 115 424 21 ASP HA H 4.58 0.01 1 116 424 21 ASP HB2 H 2.73 0.01 1 117 424 21 ASP HB3 H 2.73 0.01 1 118 425 22 MET H H 8.13 0.01 1 119 425 22 MET HA H 4.36 0.01 1 120 425 22 MET HB2 H 2.08 0.01 2 121 425 22 MET HB3 H 2.15 0.01 2 122 425 22 MET HG2 H 2.55 0.01 2 123 425 22 MET HG3 H 2.65 0.01 2 124 426 23 ALA H H 8.14 0.01 1 125 426 23 ALA HA H 4.24 0.01 1 126 426 23 ALA HB H 1.46 0.01 1 127 427 24 ALA H H 7.90 0.01 1 128 427 24 ALA HA H 4.24 0.01 1 129 427 24 ALA HB H 1.46 0.01 1 130 428 25 LEU H H 7.81 0.01 1 131 428 25 LEU HA H 4.28 0.01 1 132 428 25 LEU HB2 H 1.66 0.01 2 133 428 25 LEU HB3 H 1.76 0.01 2 134 428 25 LEU HG H 1.72 0.01 1 135 428 25 LEU HD1 H 0.90 0.01 2 136 428 25 LEU HD2 H 0.95 0.01 2 137 429 26 GLU H H 8.07 0.01 1 138 429 26 GLU HA H 4.21 0.01 1 139 429 26 GLU HB2 H 2.02 0.01 2 140 429 26 GLU HB3 H 2.12 0.01 2 141 429 26 GLU HG2 H 2.28 0.01 2 142 429 26 GLU HG3 H 2.35 0.01 2 143 430 27 LYS H H 7.99 0.01 1 144 430 27 LYS HA H 4.26 0.01 1 145 430 27 LYS HB2 H 1.77 0.01 1 146 430 27 LYS HB3 H 1.77 0.01 1 147 430 27 LYS HG2 H 1.44 0.01 2 148 430 27 LYS HG3 H 1.46 0.01 2 149 430 27 LYS HD2 H 1.68 0.01 1 150 430 27 LYS HD3 H 1.68 0.01 1 151 430 27 LYS HE2 H 3.00 0.01 1 152 430 27 LYS HE3 H 3.00 0.01 1 153 431 28 ASP H H 8.20 0.01 1 154 431 28 ASP HA H 4.61 0.01 1 155 431 28 ASP HB2 H 2.63 0.01 2 156 431 28 ASP HB3 H 2.68 0.01 2 157 432 29 TYR H H 7.98 0.01 1 158 432 29 TYR HA H 4.49 0.01 1 159 432 29 TYR HB2 H 3.02 0.01 2 160 432 29 TYR HB3 H 3.09 0.01 2 161 432 29 TYR HD1 H 7.13 0.01 3 162 432 29 TYR HD2 H 7.13 0.01 3 163 432 29 TYR HE1 H 6.84 0.01 3 164 432 29 TYR HE2 H 6.84 0.01 3 165 433 30 GLU H H 8.16 0.01 1 166 433 30 GLU HA H 4.24 0.01 1 167 433 30 GLU HB2 H 1.98 0.01 2 168 433 30 GLU HB3 H 2.06 0.01 2 169 433 30 GLU HG2 H 2.26 0.01 2 170 433 30 GLU HG3 H 2.29 0.01 2 171 434 31 GLU H H 8.25 0.01 1 172 434 31 GLU HA H 4.31 0.01 1 173 434 31 GLU HB2 H 1.97 0.01 2 174 434 31 GLU HB3 H 2.09 0.01 2 175 434 31 GLU HG2 H 2.29 0.01 1 176 434 31 GLU HG3 H 2.29 0.01 1 177 435 32 VAL H H 8.07 0.01 1 178 435 32 VAL HA H 4.15 0.01 1 179 435 32 VAL HB H 2.13 0.01 1 180 435 32 VAL HG1 H 0.98 0.01 1 181 435 32 VAL HG2 H 0.98 0.01 1 182 436 33 GLY H H 8.42 0.01 1 183 436 33 GLY HA2 H 3.95 0.01 2 184 436 33 GLY HA3 H 4.04 0.01 2 185 437 34 VAL H H 7.93 0.01 1 186 437 34 VAL HA H 4.16 0.01 1 187 437 34 VAL HB H 2.13 0.01 1 188 437 34 VAL HG1 H 0.95 0.01 1 189 437 34 VAL HG2 H 0.95 0.01 1 190 438 35 ASP H H 8.42 0.01 1 191 438 35 ASP HA H 4.69 0.01 1 192 438 35 ASP HB2 H 2.66 0.01 2 193 438 35 ASP HB3 H 2.73 0.01 2 194 439 36 SER H H 8.14 0.01 1 195 439 36 SER HA H 4.51 0.01 1 196 439 36 SER HB2 H 3.88 0.01 2 197 439 36 SER HB3 H 3.91 0.01 2 198 440 37 VAL H H 8.15 0.01 1 199 440 37 VAL HA H 4.19 0.01 1 200 440 37 VAL HB H 2.15 0.01 1 201 440 37 VAL HG1 H 0.96 0.01 1 202 440 37 VAL HG2 H 0.96 0.01 1 203 441 38 GLU H H 8.46 0.01 1 204 441 38 GLU HA H 4.31 0.01 1 205 441 38 GLU HB2 H 2.00 0.01 2 206 441 38 GLU HB3 H 2.09 0.01 2 207 441 38 GLU HG2 H 2.32 0.01 1 208 441 38 GLU HG3 H 2.32 0.01 1 209 442 39 GLY H H 8.44 0.01 1 210 442 39 GLY HA2 H 4.01 0.01 1 211 442 39 GLY HA3 H 4.01 0.01 1 212 443 40 GLU H H 8.30 0.01 1 213 443 40 GLU HA H 4.36 0.01 1 214 443 40 GLU HB2 H 1.97 0.01 2 215 443 40 GLU HB3 H 2.11 0.01 2 216 443 40 GLU HG2 H 2.32 0.01 1 217 443 40 GLU HG3 H 2.32 0.01 1 218 444 41 GLY H H 8.53 0.01 1 219 444 41 GLY HA2 H 4.01 0.01 1 220 444 41 GLY HA3 H 4.01 0.01 1 221 445 42 GLU H H 8.22 0.01 1 222 445 42 GLU HA H 4.34 0.01 1 223 445 42 GLU HB2 H 1.92 0.01 2 224 445 42 GLU HB3 H 2.04 0.01 2 225 445 42 GLU HG2 H 2.27 0.01 1 226 445 42 GLU HG3 H 2.27 0.01 1 227 446 43 GLU H H 8.30 0.01 1 228 446 43 GLU HA H 4.36 0.01 1 229 446 43 GLU HB2 H 1.97 0.01 1 230 446 43 GLU HB3 H 2.11 0.01 1 231 446 43 GLU HG2 H 2.29 0.01 1 232 446 43 GLU HG3 H 2.29 0.01 1 233 447 44 GLU H H 8.56 0.01 1 234 447 44 GLU HA H 4.32 0.01 1 235 447 44 GLU HB2 H 1.99 0.01 1 236 447 44 GLU HB3 H 2.10 0.01 1 237 447 44 GLU HG2 H 2.29 0.01 1 238 447 44 GLU HG3 H 2.29 0.01 1 239 448 45 GLY H H 8.42 0.01 1 240 448 45 GLY HA2 H 4.01 0.01 1 241 448 45 GLY HA3 H 4.01 0.01 1 242 449 46 GLU H H 8.49 0.01 1 243 449 46 GLU HA H 4.33 0.01 1 244 449 46 GLU HB2 H 2.01 0.01 2 245 449 46 GLU HB3 H 2.12 0.01 2 246 449 46 GLU HG2 H 2.31 0.01 1 247 449 46 GLU HG3 H 2.31 0.01 1 248 450 47 GLU H H 8.41 0.01 1 249 450 47 GLU HA H 4.27 0.01 1 250 450 47 GLU HB2 H 1.89 0.01 2 251 450 47 GLU HB3 H 2.02 0.01 2 252 450 47 GLU HG2 H 2.19 0.01 2 253 450 47 GLU HG3 H 2.26 0.01 2 254 451 48 TYR H H 7.68 0.01 1 255 451 48 TYR HA H 4.40 0.01 1 256 451 48 TYR HB2 H 2.91 0.01 2 257 451 48 TYR HB3 H 3.10 0.01 2 258 451 48 TYR HD1 H 7.13 0.01 3 259 451 48 TYR HD2 H 7.13 0.01 3 260 451 48 TYR HE1 H 6.84 0.01 3 261 451 48 TYR HE2 H 6.84 0.01 3 stop_ save_