data_4487 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Putative ancestral protein encoded by a single sequence repeat of the multidomain proteinase inhibitor from nicotiana alata ; _BMRB_accession_number 4487 _BMRB_flat_file_name bmr4487.str _Entry_type original _Submission_date 1999-03-15 _Accession_date 1999-12-06 _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 Scanlon M. J. . 2 Lee M. C.S. . 3 Anderson M. A. . 4 Craik D. J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 296 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-06-17 original author . stop_ _Original_release_date 2000-06-17 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of a putative ancestral protein encoded by a single sequence repeat from a multidomain proteinase inhibitor gene fro Nicotiana alata ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 99354413 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Scanlon M. J. . 2 Lee M. C.S. . 3 Anderson M. A. . 4 Craik D. J. . stop_ _Journal_abbreviation 'Struc. Fold. Des.' _Journal_name_full 'Structure and Folding Design' _Journal_volume 7 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 793 _Page_last 802 _Year 1999 _Details . loop_ _Keyword 'circular permutation' 'Nicotiana alata' 'protease inhibitor' stop_ save_ ################################## # Molecular system description # ################################## save_system_API. _Saveframe_category molecular_system _Mol_system_name API _Abbreviation_common API _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label API $API stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_API _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common API _Abbreviation_common API _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 54 _Mol_residue_sequence ; MKACTLNCDPRIAYGVCPRS EEKKNDRICTNCCAGTKGCK YFSDDGTFVCEGES ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 ALA 4 CYS 5 THR 6 LEU 7 ASN 8 CYS 9 ASP 10 PRO 11 ARG 12 ILE 13 ALA 14 TYR 15 GLY 16 VAL 17 CYS 18 PRO 19 ARG 20 SER 21 GLU 22 GLU 23 LYS 24 LYS 25 ASN 26 ASP 27 ARG 28 ILE 29 CYS 30 THR 31 ASN 32 CYS 33 CYS 34 ALA 35 GLY 36 THR 37 LYS 38 GLY 39 CYS 40 LYS 41 TYR 42 PHE 43 SER 44 ASP 45 ASP 46 GLY 47 THR 48 PHE 49 VAL 50 CYS 51 GLU 52 GLY 53 GLU 54 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2008-08-19 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 PDB 1CE3 'Putative Ancestral Protein Encoded By A Single Sequence Repeat Of The Multidomain Proteinase Inhibitor From Nicotiana Alata' 100.00 54 100.00 100.00 2.43e-23 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $API 'Nicotiana alata' 4087 Eukaryota Viridiplantae Nicotiana alata 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 $API 'recombinant technology' 'Escherichia coli' Escherichia coli . . 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 $API . mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 750 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model ARX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_DQFCOSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name DQFCOSY _Sample_label $sample_1 save_ save_ECOSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name ECOSY _Sample_label $sample_1 save_ save_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _Sample_label $sample_1 save_ save_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label $sample_1 save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name DQFCOSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name ECOSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.8 . n/a pressure 1 . atm temperature 313 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_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 . H 1 . ppm . . . . . . $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_chem_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference_one _Mol_system_component_name API _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 . 2 LYS H H 8.52 . 1 2 . 2 LYS HA H 4.20 . 1 3 . 2 LYS HB2 H 1.66 . 1 4 . 2 LYS HB3 H 1.66 . 1 5 . 2 LYS HG2 H 1.56 . 1 6 . 2 LYS HG3 H 1.56 . 1 7 . 2 LYS HD2 H 1.30 . 1 8 . 2 LYS HD3 H 1.30 . 1 9 . 2 LYS HE2 H 2.88 . 1 10 . 2 LYS HE3 H 2.88 . 1 11 . 3 ALA H H 8.26 . 1 12 . 3 ALA HA H 4.25 . 1 13 . 3 ALA HB H 1.22 . 1 14 . 4 CYS H H 8.18 . 1 15 . 4 CYS HA H 4.72 . 1 16 . 4 CYS HB2 H 3.16 . 2 17 . 4 CYS HB3 H 2.60 . 2 18 . 5 THR H H 8.26 . 1 19 . 5 THR HA H 4.23 . 1 20 . 5 THR HB H 4.18 . 1 21 . 5 THR HG2 H 1.07 . 1 22 . 6 LEU H H 8.09 . 1 23 . 6 LEU HA H 4.23 . 1 24 . 6 LEU HB2 H 1.46 . 1 25 . 6 LEU HB3 H 1.46 . 1 26 . 6 LEU HG H 1.41 . 1 27 . 6 LEU HD1 H 0.76 . 2 28 . 6 LEU HD2 H 0.67 . 2 29 . 7 ASN H H 7.78 . 1 30 . 7 ASN HA H 4.26 . 1 31 . 7 ASN HB2 H 2.55 . 2 32 . 7 ASN HB3 H 2.48 . 2 33 . 7 ASN HD21 H 7.35 . 2 34 . 7 ASN HD22 H 6.81 . 2 35 . 8 CYS H H 8.38 . 1 36 . 8 CYS HA H 4.19 . 1 37 . 8 CYS HB2 H 3.30 . 2 38 . 8 CYS HB3 H 2.68 . 2 39 . 9 ASP H H 8.83 . 1 40 . 9 ASP HA H 4.76 . 1 41 . 9 ASP HB2 H 2.90 . 2 42 . 9 ASP HB3 H 2.35 . 2 43 . 10 PRO HA H 4.33 . 1 44 . 10 PRO HB2 H 2.22 . 2 45 . 10 PRO HB3 H 1.83 . 2 46 . 10 PRO HG2 H 1.92 . 2 47 . 10 PRO HG3 H 1.89 . 2 48 . 10 PRO HD2 H 3.92 . 2 49 . 10 PRO HD3 H 3.85 . 2 50 . 11 ARG H H 8.42 . 1 51 . 11 ARG HA H 4.01 . 1 52 . 11 ARG HB2 H 1.49 . 1 53 . 11 ARG HB3 H 1.49 . 1 54 . 11 ARG HG2 H 1.61 . 1 55 . 11 ARG HG3 H 1.61 . 1 56 . 11 ARG HD2 H 3.19 . 2 57 . 11 ARG HD3 H 2.95 . 2 58 . 11 ARG HE H 7.49 . 1 59 . 12 ILE H H 7.39 . 1 60 . 12 ILE HA H 3.42 . 1 61 . 12 ILE HB H 1.61 . 1 62 . 12 ILE HG2 H 0.58 . 1 63 . 12 ILE HG12 H 1.27 . 1 64 . 12 ILE HG13 H 1.27 . 1 65 . 12 ILE HD1 H 0.29 . 1 66 . 13 ALA H H 9.35 . 1 67 . 13 ALA HA H 4.64 . 1 68 . 13 ALA HB H 1.42 . 1 69 . 14 TYR H H 7.81 . 1 70 . 14 TYR HA H 4.98 . 1 71 . 14 TYR HB2 H 3.16 . 2 72 . 14 TYR HB3 H 2.96 . 2 73 . 14 TYR HD1 H 6.71 . 1 74 . 14 TYR HD2 H 6.71 . 1 75 . 14 TYR HE1 H 6.39 . 1 76 . 14 TYR HE2 H 6.39 . 1 77 . 15 GLY H H 8.80 . 1 78 . 15 GLY HA3 H 5.19 . 2 79 . 15 GLY HA2 H 3.30 . 2 80 . 16 VAL H H 9.23 . 1 81 . 16 VAL HA H 4.32 . 1 82 . 16 VAL HB H 2.06 . 1 83 . 16 VAL HG1 H 0.96 . 2 84 . 16 VAL HG2 H 0.88 . 2 85 . 17 CYS H H 8.92 . 1 86 . 17 CYS HA H 5.12 . 1 87 . 17 CYS HB2 H 3.11 . 2 88 . 17 CYS HB3 H 2.76 . 2 89 . 18 PRO HA H 4.25 . 1 90 . 18 PRO HB2 H 2.26 . 2 91 . 18 PRO HB3 H 1.78 . 2 92 . 18 PRO HG2 H 1.98 . 2 93 . 18 PRO HG3 H 1.92 . 2 94 . 18 PRO HD2 H 3.71 . 2 95 . 18 PRO HD3 H 3.62 . 2 96 . 19 ARG H H 8.36 . 1 97 . 19 ARG HA H 4.10 . 1 98 . 19 ARG HB2 H 1.86 . 2 99 . 19 ARG HB3 H 1.75 . 2 100 . 19 ARG HG2 H 1.47 . 1 101 . 19 ARG HG3 H 1.47 . 1 102 . 19 ARG HD2 H 3.11 . 1 103 . 19 ARG HD3 H 3.11 . 1 104 . 19 ARG HE H 7.09 . 1 105 . 20 SER H H 7.71 . 1 106 . 20 SER HA H 4.42 . 1 107 . 20 SER HB2 H 3.72 . 1 108 . 20 SER HB3 H 3.72 . 1 109 . 21 GLU H H 8.43 . 1 110 . 21 GLU HA H 4.25 . 1 111 . 21 GLU HB2 H 1.85 . 1 112 . 21 GLU HB3 H 1.85 . 1 113 . 21 GLU HG2 H 2.27 . 2 114 . 21 GLU HG3 H 1.99 . 2 115 . 22 GLU H H 8.27 . 1 116 . 22 GLU HA H 4.21 . 1 117 . 22 GLU HB2 H 1.95 . 2 118 . 22 GLU HB3 H 1.85 . 2 119 . 22 GLU HG2 H 2.25 . 1 120 . 22 GLU HG3 H 2.25 . 1 121 . 23 LYS H H 8.31 . 1 122 . 23 LYS HA H 4.25 . 1 123 . 23 LYS HB2 H 1.69 . 2 124 . 23 LYS HB3 H 1.63 . 2 125 . 23 LYS HG2 H 1.26 . 1 126 . 23 LYS HG3 H 1.26 . 1 127 . 23 LYS HD2 H 1.51 . 1 128 . 23 LYS HD3 H 1.51 . 1 129 . 23 LYS HE2 H 2.84 . 1 130 . 23 LYS HE3 H 2.84 . 1 131 . 24 LYS H H 8.18 . 1 132 . 24 LYS HA H 4.08 . 1 133 . 24 LYS HB2 H 1.54 . 1 134 . 24 LYS HB3 H 1.54 . 1 135 . 24 LYS HG2 H 1.16 . 2 136 . 24 LYS HG3 H 1.07 . 2 137 . 24 LYS HD2 H 1.39 . 1 138 . 24 LYS HD3 H 1.39 . 1 139 . 24 LYS HE2 H 2.70 . 1 140 . 24 LYS HE3 H 2.70 . 1 141 . 25 ASN H H 8.34 . 1 142 . 25 ASN HA H 4.58 . 1 143 . 25 ASN HB2 H 2.70 . 2 144 . 25 ASN HB3 H 2.62 . 2 145 . 25 ASN HD21 H 7.36 . 2 146 . 25 ASN HD22 H 6.68 . 2 147 . 26 ASP H H 7.93 . 1 148 . 26 ASP HA H 4.65 . 1 149 . 26 ASP HB2 H 2.65 . 1 150 . 26 ASP HB3 H 2.65 . 1 151 . 27 ARG H H 8.22 . 1 152 . 27 ARG HA H 4.52 . 1 153 . 27 ARG HB2 H 1.79 . 2 154 . 27 ARG HB3 H 1.72 . 2 155 . 27 ARG HG2 H 1.63 . 2 156 . 27 ARG HG3 H 1.56 . 2 157 . 27 ARG HD2 H 3.16 . 1 158 . 27 ARG HD3 H 3.16 . 1 159 . 27 ARG HE H 7.20 . 1 160 . 28 ILE H H 7.80 . 1 161 . 28 ILE HA H 4.24 . 1 162 . 28 ILE HB H 1.69 . 1 163 . 28 ILE HG2 H 0.76 . 1 164 . 28 ILE HG12 H 1.20 . 2 165 . 28 ILE HG13 H 0.94 . 2 166 . 28 ILE HD1 H 0.81 . 1 167 . 29 CYS H H 8.18 . 1 168 . 29 CYS HA H 4.89 . 1 169 . 29 CYS HB2 H 3.17 . 2 170 . 29 CYS HB3 H 2.79 . 2 171 . 30 THR H H 8.80 . 1 172 . 30 THR HA H 4.34 . 1 173 . 30 THR HB H 3.79 . 1 174 . 30 THR HG2 H 0.33 . 1 175 . 31 ASN H H 8.33 . 1 176 . 31 ASN HA H 4.46 . 1 177 . 31 ASN HB2 H 3.06 . 2 178 . 31 ASN HB3 H 2.65 . 2 179 . 32 CYS H H 9.19 . 1 180 . 32 CYS HA H 3.62 . 1 181 . 32 CYS HB2 H 3.05 . 2 182 . 32 CYS HB3 H 2.64 . 2 183 . 33 CYS H H 7.79 . 1 184 . 33 CYS HA H 4.12 . 1 185 . 33 CYS HB2 H 3.20 . 2 186 . 33 CYS HB3 H 2.69 . 2 187 . 34 ALA H H 8.19 . 1 188 . 34 ALA HA H 3.91 . 1 189 . 34 ALA HB H 1.14 . 1 190 . 35 GLY H H 7.83 . 1 191 . 35 GLY HA3 H 3.90 . 2 192 . 35 GLY HA2 H 3.33 . 2 193 . 36 THR H H 8.10 . 1 194 . 36 THR HA H 4.18 . 1 195 . 36 THR HB H 4.15 . 1 196 . 36 THR HG2 H 1.26 . 1 197 . 37 LYS H H 9.34 . 1 198 . 37 LYS HA H 3.96 . 1 199 . 37 LYS HB2 H 1.58 . 1 200 . 37 LYS HB3 H 1.58 . 1 201 . 37 LYS HG2 H 1.46 . 1 202 . 37 LYS HG3 H 1.46 . 1 203 . 37 LYS HD2 H 1.31 . 1 204 . 37 LYS HD3 H 1.31 . 1 205 . 37 LYS HE2 H 2.87 . 1 206 . 37 LYS HE3 H 2.87 . 1 207 . 38 GLY H H 8.55 . 1 208 . 38 GLY HA3 H 4.23 . 2 209 . 38 GLY HA2 H 3.52 . 2 210 . 39 CYS H H 8.25 . 1 211 . 39 CYS HA H 4.98 . 1 212 . 39 CYS HB2 H 3.68 . 2 213 . 39 CYS HB3 H 1.86 . 2 214 . 40 LYS H H 8.19 . 1 215 . 40 LYS HA H 4.31 . 1 216 . 40 LYS HB2 H 1.77 . 1 217 . 40 LYS HB3 H 1.77 . 1 218 . 40 LYS HG2 H 1.57 . 1 219 . 40 LYS HG3 H 1.57 . 1 220 . 40 LYS HD2 H 1.60 . 1 221 . 40 LYS HD3 H 1.60 . 1 222 . 40 LYS HE2 H 2.72 . 1 223 . 40 LYS HE3 H 2.72 . 1 224 . 41 TYR H H 8.25 . 1 225 . 41 TYR HA H 4.95 . 1 226 . 41 TYR HB2 H 2.61 . 2 227 . 41 TYR HB3 H 2.49 . 2 228 . 41 TYR HD1 H 6.71 . 1 229 . 41 TYR HD2 H 6.71 . 1 230 . 41 TYR HE1 H 6.40 . 1 231 . 41 TYR HE2 H 6.40 . 1 232 . 42 PHE H H 8.50 . 1 233 . 42 PHE HA H 5.01 . 1 234 . 42 PHE HB2 H 2.65 . 2 235 . 42 PHE HB3 H 1.34 . 2 236 . 42 PHE HD1 H 6.81 . 1 237 . 42 PHE HD2 H 6.81 . 1 238 . 42 PHE HE1 H 7.20 . 1 239 . 42 PHE HE2 H 7.20 . 1 240 . 42 PHE HZ H 7.15 . 1 241 . 43 SER H H 9.01 . 1 242 . 43 SER HA H 5.10 . 1 243 . 43 SER HB2 H 4.09 . 2 244 . 43 SER HB3 H 3.95 . 2 245 . 44 ASP H H 8.79 . 1 246 . 44 ASP HA H 4.24 . 1 247 . 44 ASP HB2 H 2.79 . 2 248 . 44 ASP HB3 H 2.65 . 2 249 . 45 ASP H H 7.81 . 1 250 . 45 ASP HA H 4.81 . 1 251 . 45 ASP HB2 H 3.84 . 2 252 . 45 ASP HB3 H 3.67 . 2 253 . 46 GLY H H 8.39 . 1 254 . 46 GLY HA3 H 4.19 . 2 255 . 46 GLY HA2 H 3.82 . 2 256 . 47 THR H H 7.86 . 1 257 . 47 THR HA H 4.15 . 1 258 . 47 THR HB H 4.09 . 1 259 . 47 THR HG2 H 1.18 . 1 260 . 48 PHE H H 8.96 . 1 261 . 48 PHE HA H 3.79 . 1 262 . 48 PHE HB2 H 3.07 . 2 263 . 48 PHE HB3 H 2.72 . 2 264 . 48 PHE HD1 H 6.54 . 1 265 . 48 PHE HD2 H 6.54 . 1 266 . 48 PHE HE1 H 7.07 . 1 267 . 48 PHE HE2 H 7.07 . 1 268 . 48 PHE HZ H 6.80 . 1 269 . 49 VAL H H 8.41 . 1 270 . 49 VAL HA H 3.52 . 1 271 . 49 VAL HB H 1.13 . 1 272 . 49 VAL HG1 H 0.53 . 2 273 . 49 VAL HG2 H 0.42 . 2 274 . 50 CYS H H 6.27 . 1 275 . 50 CYS HA H 4.15 . 1 276 . 50 CYS HB2 H 3.53 . 2 277 . 50 CYS HB3 H 3.10 . 2 278 . 51 GLU H H 8.74 . 1 279 . 51 GLU HA H 5.24 . 1 280 . 51 GLU HB2 H 2.07 . 2 281 . 51 GLU HB3 H 1.98 . 2 282 . 51 GLU HG2 H 2.65 . 2 283 . 51 GLU HG3 H 2.46 . 2 284 . 52 GLY H H 7.92 . 1 285 . 52 GLY HA3 H 4.29 . 2 286 . 52 GLY HA2 H 3.37 . 2 287 . 53 GLU H H 6.83 . 1 288 . 53 GLU HA H 4.48 . 1 289 . 53 GLU HB2 H 2.23 . 1 290 . 53 GLU HB3 H 2.23 . 1 291 . 53 GLU HG2 H 2.49 . 1 292 . 53 GLU HG3 H 2.49 . 1 293 . 54 SER H H 9.03 . 1 294 . 54 SER HA H 4.43 . 1 295 . 54 SER HB2 H 3.74 . 1 296 . 54 SER HB3 H 3.74 . 1 stop_ save_