data_18527 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H chemical shifts for the C-terminal beta-tubulin 394-455 fragment ; _BMRB_accession_number 18527 _BMRB_flat_file_name bmr18527.str _Entry_type original _Submission_date 2012-06-16 _Accession_date 2012-06-16 _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" 306 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-07-13 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 18528 'alpha tubulin 404-451' 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 'beta tubulin 394-445' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'beta tubulin 394-445' $beta_tubulin_394-445 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_beta_tubulin_394-445 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common beta_tubulin_394-445 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 58 _Mol_residue_sequence ; ARIRAPFLHWYTGEGMDEME FTEAESNMNDLVSEYQQYQD ATADEQGEFEEEGEEDEA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 388 ALA 2 389 ARG 3 390 ILE 4 391 ARG 5 392 ALA 6 393 PRO 7 394 PHE 8 395 LEU 9 396 HIS 10 397 TRP 11 398 TYR 12 399 THR 13 400 GLY 14 401 GLU 15 402 GLY 16 403 MET 17 404 ASP 18 405 GLU 19 406 MET 20 407 GLU 21 408 PHE 22 409 THR 23 410 GLU 24 411 ALA 25 412 GLU 26 413 SER 27 414 ASN 28 415 MET 29 416 ASN 30 417 ASP 31 418 LEU 32 419 VAL 33 420 SER 34 421 GLU 35 422 TYR 36 423 GLN 37 424 GLN 38 425 TYR 39 426 GLN 40 427 ASP 41 428 ALA 42 429 THR 43 430 ALA 44 431 ASP 45 432 GLU 46 433 GLN 47 434 GLY 48 435 GLU 49 436 PHE 50 437 GLU 51 438 GLU 52 439 GLU 53 440 GLY 54 441 GLU 55 442 GLU 56 443 ASP 57 444 GLU 58 445 ALA 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 $beta_tubulin_394-445 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 $beta_tubulin_394-445 '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 $beta_tubulin_394-445 2 mM 'natural abundance' H2O 63 v/v 'natural abundance' D2O 7 v/v 'natural abundance' 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 'beta tubulin 394-445' _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 1 388 1 ALA HA H 4.16 0.01 1 2 388 1 ALA HB H 1.56 0.01 1 3 389 2 ARG HA H 4.49 0.01 1 4 389 2 ARG HB2 H 1.68 0.01 2 5 389 2 ARG HB3 H 1.85 0.01 2 6 389 2 ARG HG2 H 1.64 0.01 2 7 389 2 ARG HG3 H 1.65 0.01 2 8 389 2 ARG HD2 H 3.18 0.01 1 9 389 2 ARG HD3 H 3.18 0.01 1 10 389 2 ARG HE H 7.39 0.01 1 11 390 3 ILE H H 8.14 0.01 1 12 390 3 ILE HA H 4.21 0.01 1 13 390 3 ILE HB H 1.84 0.01 1 14 390 3 ILE HG12 H 1.18 0.01 2 15 390 3 ILE HG13 H 1.50 0.01 2 16 390 3 ILE HG2 H 0.90 0.01 1 17 390 3 ILE HD1 H 0.86 0.01 1 18 391 4 ARG H H 8.19 0.01 1 19 391 4 ARG HA H 4.44 0.01 1 20 391 4 ARG HB2 H 1.73 0.01 2 21 391 4 ARG HB3 H 1.82 0.01 2 22 391 4 ARG HG2 H 1.58 0.01 2 23 391 4 ARG HG3 H 1.64 0.01 2 24 391 4 ARG HD2 H 3.14 0.01 1 25 391 4 ARG HD3 H 3.14 0.01 1 26 391 4 ARG HE H 7.33 0.01 1 27 392 5 ALA H H 8.02 0.01 1 28 392 5 ALA HA H 4.47 0.01 1 29 392 5 ALA HB H 1.18 0.01 1 30 393 6 PRO HA H 4.32 0.01 1 31 393 6 PRO HB2 H 1.81 0.01 2 32 393 6 PRO HB3 H 2.19 0.01 2 33 393 6 PRO HG2 H 1.90 0.01 2 34 393 6 PRO HG3 H 1.97 0.01 2 35 393 6 PRO HD2 H 3.50 0.01 2 36 393 6 PRO HD3 H 3.70 0.01 2 37 394 7 PHE H H 7.17 0.01 1 38 394 7 PHE HA H 4.48 0.01 1 39 394 7 PHE HB2 H 3.07 0.01 2 40 394 7 PHE HB3 H 3.14 0.01 2 41 394 7 PHE HD1 H 7.13 0.01 3 42 394 7 PHE HD2 H 7.13 0.01 3 43 394 7 PHE HE1 H 7.30 0.01 3 44 394 7 PHE HE2 H 7.30 0.01 3 45 394 7 PHE HZ H 7.26 0.01 1 46 395 8 LEU H H 7.54 0.01 1 47 395 8 LEU HA H 4.27 0.01 1 48 395 8 LEU HB2 H 1.45 0.01 2 49 395 8 LEU HB3 H 1.57 0.01 2 50 395 8 LEU HG H 1.57 0.01 1 51 395 8 LEU HD1 H 0.86 0.01 2 52 395 8 LEU HD2 H 0.90 0.01 2 53 396 9 HIS H H 8.04 0.01 1 54 396 9 HIS HA H 4.54 0.01 1 55 396 9 HIS HB2 H 3.10 0.01 1 56 396 9 HIS HB3 H 3.10 0.01 1 57 396 9 HIS HD2 H 7.00 0.01 1 58 396 9 HIS HE1 H 8.23 0.01 1 59 397 10 TRP H H 7.81 0.01 1 60 397 10 TRP HA H 4.61 0.01 1 61 397 10 TRP HB2 H 3.23 0.01 1 62 397 10 TRP HB3 H 3.23 0.01 1 63 397 10 TRP HD1 H 7.12 0.01 1 64 397 10 TRP HE1 H 9.90 0.01 1 65 397 10 TRP HE3 H 7.54 0.01 1 66 397 10 TRP HZ2 H 7.46 0.01 1 67 397 10 TRP HZ3 H 7.14 0.01 1 68 397 10 TRP HH2 H 7.22 0.01 1 69 398 11 TYR H H 7.82 0.01 1 70 398 11 TYR HA H 4.48 0.01 1 71 398 11 TYR HB2 H 2.80 0.01 2 72 398 11 TYR HB3 H 2.88 0.01 2 73 398 11 TYR HD1 H 7.03 0.01 3 74 398 11 TYR HD2 H 7.03 0.01 3 75 398 11 TYR HE1 H 6.82 0.01 3 76 398 11 TYR HE2 H 6.82 0.01 3 77 399 12 THR H H 7.93 0.01 1 78 399 12 THR HA H 4.34 0.01 1 79 399 12 THR HB H 4.34 0.01 1 80 399 12 THR HG2 H 1.23 0.01 1 81 400 13 GLY H H 7.53 0.01 1 82 400 13 GLY HA2 H 3.86 0.01 2 83 400 13 GLY HA3 H 4.04 0.01 2 84 401 14 GLU H H 8.20 0.01 1 85 401 14 GLU HA H 4.36 0.01 1 86 401 14 GLU HB2 H 1.98 0.01 2 87 401 14 GLU HB3 H 2.09 0.01 2 88 401 14 GLU HG2 H 2.32 0.01 1 89 401 14 GLU HG3 H 2.32 0.01 1 90 402 15 GLY H H 8.51 0.01 1 91 402 15 GLY HA2 H 3.94 0.01 2 92 402 15 GLY HA3 H 4.02 0.01 2 93 403 16 MET H H 8.10 0.01 1 94 403 16 MET HA H 4.52 0.01 1 95 403 16 MET HB2 H 2.02 0.01 2 96 403 16 MET HB3 H 2.12 0.01 2 97 403 16 MET HG2 H 2.49 0.01 2 98 403 16 MET HG3 H 2.56 0.01 2 99 404 17 ASP H H 8.44 0.01 1 100 404 17 ASP HA H 4.63 0.01 1 101 404 17 ASP HB2 H 2.77 0.01 1 102 404 17 ASP HB3 H 2.77 0.01 1 103 405 18 GLU H H 8.53 0.01 1 104 405 18 GLU HA H 4.24 0.01 1 105 405 18 GLU HB2 H 2.06 0.01 1 106 405 18 GLU HB3 H 2.14 0.01 1 107 405 18 GLU HG2 H 2.36 0.01 1 108 405 18 GLU HG3 H 2.36 0.01 1 109 406 19 MET H H 8.25 0.01 1 110 406 19 MET HA H 4.52 0.01 1 111 406 19 MET HB2 H 2.06 0.01 1 112 406 19 MET HB3 H 2.06 0.01 1 113 406 19 MET HG2 H 2.54 0.01 2 114 406 19 MET HG3 H 2.60 0.01 2 115 407 20 GLU HA H 4.24 0.01 1 116 407 20 GLU HB2 H 2.04 0.01 1 117 407 20 GLU HB3 H 2.10 0.01 1 118 407 20 GLU HG2 H 2.30 0.01 1 119 407 20 GLU HG3 H 2.35 0.01 1 120 408 21 PHE H H 8.25 0.01 1 121 408 21 PHE HA H 4.58 0.01 1 122 408 21 PHE HB2 H 3.12 0.01 2 123 408 21 PHE HB3 H 3.22 0.01 2 124 408 21 PHE HD1 H 7.26 0.01 3 125 408 21 PHE HD2 H 7.26 0.01 3 126 408 21 PHE HE1 H 7.32 0.01 3 127 408 21 PHE HE2 H 7.32 0.01 3 128 409 22 THR H H 8.12 0.01 1 129 409 22 THR HA H 4.36 0.01 1 130 409 22 THR HB H 4.21 0.01 1 131 409 22 THR HG2 H 1.31 0.01 1 132 410 23 GLU H H 8.32 0.01 1 133 411 24 ALA H H 8.12 0.01 1 134 411 24 ALA HA H 4.22 0.01 1 135 411 24 ALA HB H 1.47 0.01 1 136 412 25 GLU H H 8.27 0.01 1 137 412 25 GLU HA H 4.11 0.01 1 138 412 25 GLU HB2 H 2.04 0.01 1 139 412 25 GLU HB3 H 2.04 0.01 1 140 412 25 GLU HG2 H 2.28 0.01 1 141 412 25 GLU HG3 H 2.28 0.01 1 142 413 26 SER H H 8.12 0.01 1 143 413 26 SER HA H 4.35 0.01 1 144 413 26 SER HB2 H 4.00 0.01 1 145 413 26 SER HB3 H 4.00 0.01 1 146 414 27 ASN H H 8.32 0.01 1 147 414 27 ASN HA H 4.56 0.01 1 148 414 27 ASN HB2 H 2.90 0.01 1 149 414 27 ASN HB3 H 2.90 0.01 1 150 414 27 ASN HD21 H 6.93 0.01 2 151 414 27 ASN HD22 H 7.52 0.01 2 152 415 28 MET H H 8.30 0.01 1 153 415 28 MET HA H 4.41 0.01 1 154 415 28 MET HB2 H 2.11 0.01 2 155 415 28 MET HB3 H 2.16 0.01 2 156 415 28 MET HG2 H 2.54 0.01 2 157 415 28 MET HG3 H 2.62 0.01 2 158 416 29 ASN H H 8.30 0.01 1 159 416 29 ASN HA H 4.52 0.01 1 160 416 29 ASN HB2 H 2.89 0.01 1 161 416 29 ASN HB3 H 2.89 0.01 1 162 416 29 ASN HD21 H 6.79 0.01 2 163 416 29 ASN HD22 H 7.64 0.01 2 164 417 30 ASP H H 8.18 0.01 1 165 417 30 ASP HA H 4.56 0.01 1 166 417 30 ASP HB2 H 2.82 0.01 1 167 417 30 ASP HB3 H 2.82 0.01 1 168 418 31 LEU H H 7.94 0.01 1 169 418 31 LEU HA H 4.23 0.01 1 170 418 31 LEU HB2 H 1.75 0.01 2 171 418 31 LEU HB3 H 1.86 0.01 2 172 418 31 LEU HG H 1.75 0.01 1 173 418 31 LEU HD1 H 0.91 0.01 2 174 418 31 LEU HD2 H 0.96 0.01 2 175 419 32 VAL H H 7.95 0.01 1 176 419 32 VAL HA H 3.86 0.01 1 177 419 32 VAL HB H 2.22 0.01 1 178 419 32 VAL HG1 H 1.03 0.01 2 179 419 32 VAL HG2 H 1.10 0.01 2 180 420 33 SER H H 8.10 0.01 1 181 420 33 SER HA H 4.37 0.01 1 182 420 33 SER HB2 H 4.02 0.01 2 183 420 33 SER HB3 H 4.11 0.01 2 184 421 34 GLU H H 8.22 0.01 1 185 421 34 GLU HA H 4.19 0.01 1 186 421 34 GLU HG2 H 2.35 0.01 2 187 421 34 GLU HG3 H 2.45 0.01 2 188 422 35 TYR H H 8.38 0.01 1 189 422 35 TYR HA H 4.38 0.01 1 190 422 35 TYR HB2 H 3.20 0.01 1 191 422 35 TYR HB3 H 3.20 0.01 1 192 422 35 TYR HD1 H 7.13 0.01 3 193 422 35 TYR HD2 H 7.13 0.01 3 194 422 35 TYR HE1 H 6.83 0.01 3 195 422 35 TYR HE2 H 6.83 0.01 3 196 423 36 GLN H H 8.45 0.01 1 197 423 36 GLN HA H 4.04 0.01 1 198 423 36 GLN HB2 H 2.21 0.01 2 199 423 36 GLN HB3 H 2.27 0.01 2 200 423 36 GLN HG2 H 2.46 0.01 2 201 423 36 GLN HG3 H 2.58 0.01 2 202 423 36 GLN HE21 H 7.38 0.01 1 203 423 36 GLN HE22 H 6.70 0.01 1 204 424 37 GLN H H 8.05 0.01 1 205 424 37 GLN HA H 4.19 0.01 1 206 424 37 GLN HB2 H 2.16 0.01 1 207 424 37 GLN HB3 H 2.16 0.01 1 208 424 37 GLN HG2 H 2.35 0.01 2 209 424 37 GLN HG3 H 2.43 0.01 2 210 424 37 GLN HE21 H 6.73 0.01 2 211 424 37 GLN HE22 H 7.30 0.01 2 212 425 38 TYR H H 8.04 0.01 1 213 425 38 TYR HA H 4.40 0.01 1 214 425 38 TYR HB2 H 2.04 0.01 2 215 425 38 TYR HB3 H 2.08 0.01 2 216 425 38 TYR HD1 H 7.09 0.01 3 217 425 38 TYR HD2 H 7.09 0.01 3 218 425 38 TYR HE1 H 6.82 0.01 3 219 425 38 TYR HE2 H 6.82 0.01 3 220 426 39 GLN H H 8.19 0.01 1 221 426 39 GLN HA H 4.03 0.01 1 222 426 39 GLN HB2 H 2.04 0.01 2 223 426 39 GLN HB3 H 2.08 0.01 2 224 426 39 GLN HG2 H 2.26 0.01 1 225 426 39 GLN HG3 H 2.26 0.01 1 226 426 39 GLN HE21 H 6.69 0.01 2 227 426 39 GLN HE22 H 7.02 0.01 2 228 427 40 ASP H H 8.25 0.01 1 229 427 40 ASP HA H 4.56 0.01 1 230 427 40 ASP HB2 H 2.77 0.01 1 231 427 40 ASP HB3 H 2.77 0.01 1 232 428 41 ALA H H 8.12 0.01 1 233 428 41 ALA HA H 4.34 0.01 1 234 428 41 ALA HB H 1.51 0.01 1 235 429 42 THR H H 7.90 0.01 1 236 429 42 THR HA H 4.31 0.01 1 237 429 42 THR HB H 4.28 0.01 1 238 429 42 THR HG2 H 1.15 0.01 1 239 430 43 ALA H H 7.93 0.01 1 240 430 43 ALA HA H 4.31 0.01 1 241 430 43 ALA HB H 1.50 0.01 1 242 431 44 ASP H H 8.24 0.01 1 243 431 44 ASP HA H 4.65 0.01 1 244 431 44 ASP HB2 H 2.72 0.01 2 245 431 44 ASP HB3 H 2.79 0.01 2 246 432 45 GLU H H 8.27 0.01 1 247 433 46 GLN H H 8.34 0.01 1 248 433 46 GLN HA H 4.38 0.01 1 249 433 46 GLN HB2 H 2.10 0.01 2 250 433 46 GLN HB3 H 2.23 0.01 2 251 433 46 GLN HG2 H 2.44 0.01 1 252 433 46 GLN HG3 H 2.44 0.01 1 253 433 46 GLN HE21 H 6.74 0.01 2 254 433 46 GLN HE22 H 7.58 0.01 2 255 434 47 GLY H H 8.34 0.01 1 256 434 47 GLY HA2 H 3.94 0.01 2 257 434 47 GLY HA3 H 4.01 0.01 2 258 435 48 GLU H H 8.20 0.01 1 259 435 48 GLU HA H 4.32 0.01 1 260 435 48 GLU HB2 H 1.91 0.01 2 261 435 48 GLU HB3 H 1.97 0.01 2 262 435 48 GLU HG2 H 2.19 0.01 2 263 435 48 GLU HG3 H 2.25 0.01 2 264 436 49 PHE H H 8.22 0.01 1 265 436 49 PHE HA H 4.69 0.01 1 266 436 49 PHE HB2 H 3.07 0.01 2 267 436 49 PHE HB3 H 3.23 0.01 2 268 436 49 PHE HD1 H 7.30 0.01 3 269 436 49 PHE HD2 H 7.30 0.01 3 270 436 49 PHE HE1 H 7.38 0.01 3 271 436 49 PHE HE2 H 7.38 0.01 3 272 438 51 GLU HA H 4.35 0.01 9 273 439 52 GLU H H 8.50 0.01 1 274 439 52 GLU HA H 4.37 0.01 1 275 439 52 GLU HB2 H 2.04 0.01 2 276 439 52 GLU HB3 H 2.15 0.01 2 277 439 52 GLU HG2 H 2.38 0.01 1 278 439 52 GLU HG3 H 2.38 0.01 1 279 440 53 GLY H H 8.48 0.01 1 280 440 53 GLY HA2 H 4.03 0.01 2 281 440 53 GLY HA3 H 4.05 0.01 2 282 441 54 GLU H H 8.30 0.01 1 283 441 54 GLU HA H 4.41 0.01 1 284 441 54 GLU HB2 H 2.01 0.01 2 285 441 54 GLU HB3 H 2.16 0.01 2 286 441 54 GLU HG2 H 2.36 0.01 1 287 441 54 GLU HG3 H 2.36 0.01 1 288 442 55 GLU H H 8.61 0.01 1 289 442 55 GLU HA H 4.36 0.01 1 290 442 55 GLU HB2 H 2.02 0.01 2 291 442 55 GLU HB3 H 2.15 0.01 2 292 442 55 GLU HG2 H 2.37 0.01 1 293 442 55 GLU HG3 H 2.37 0.01 1 294 443 56 ASP H H 8.38 0.01 1 295 443 56 ASP HA H 4.69 0.01 1 296 443 56 ASP HB2 H 2.71 0.01 2 297 443 56 ASP HB3 H 2.78 0.01 2 298 444 57 GLU H H 8.30 0.01 1 299 444 57 GLU HA H 4.44 0.01 1 300 444 57 GLU HB2 H 2.01 0.01 2 301 444 57 GLU HB3 H 2.16 0.01 2 302 444 57 GLU HG2 H 2.36 0.01 1 303 444 57 GLU HG3 H 2.36 0.01 1 304 445 58 ALA H H 7.93 0.01 1 305 445 58 ALA HA H 4.19 0.01 1 306 445 58 ALA HB H 1.40 0.01 1 stop_ save_