data_28017 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; QBP1+TDP-43 POLYPEPTIDE ; _BMRB_accession_number 28017 _BMRB_flat_file_name bmr28017.str _Entry_type original _Submission_date 2019-09-15 _Accession_date 2019-09-15 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'POLYPEPTIDE OF QBP1 LINKED TO THE AMYLOID-FORMING SEGMENT OF TDP-43 BY A GLY-GLY-GLY LINKER' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Laurents Douglas V. . 2 Mompean Miguel . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 170 "13C chemical shifts" 64 "15N chemical shifts" 37 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-04-21 update BMRB 'update entry citation' 2019-10-03 original author 'original release' stop_ _Original_release_date 2019-09-16 save_ ############################# # Citation for this entry # ############################# save_Citation1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Molecular mechanism of the inhibition of TDP-43 amyloidogenesis by QBP1 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31568752 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mompean Miguel . . 2 'Ramirez de Mingo' Daniel . . 3 Hervas Ruben . . 4 Fernandez-Ramirez 'Maria Del Carmen' . . 5 Carrion-Vazquez Mariano . . 6 Laurents Douglas V. . stop_ _Journal_abbreviation 'Arch. Biochem. Biophys.' _Journal_volume 675 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 108113 _Page_last 108113 _Year 2019 _Details . loop_ _Keyword 'Amyotrophic Lateral Sclerosis' TDP-43 'polyglutamine peptide inhibitor' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name QBP1+TDP-43 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label QBP1+TDP-43 $QBP1+TDP-43 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_QBP1+TDP-43 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common QBP1+TDP-43 _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'QBP1 is a octapeptide that inhibits amyloid formation by polyglutamine and some other amyloid forming proteins' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 28 _Mol_residue_sequence ; WKWWPGIFGGGASQQNQSGP SGNNQNQG ; loop_ _Residue_seq_code _Residue_label 1 TRP 2 LYS 3 TRP 4 TRP 5 PRO 6 GLY 7 ILE 8 PHE 9 GLY 10 GLY 11 GLY 12 ALA 13 SER 14 GLN 15 GLN 16 ASN 17 GLN 18 SER 19 GLY 20 PRO 21 SER 22 GLY 23 ASN 24 ASN 25 GLN 26 ASN 27 GLN 28 GLY 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 _Details $QBP1+TDP-43 Human 9606 Eukaryota Metazoa Homo sapiens 'The QBP1 sequence was discovered from phage display. The TDP-43 segment is residues 341-357 of the human protein.' 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 _Details $QBP1+TDP-43 'chemical synthesis' . . . . n.a. 'made by solid phase peptide synthesis' 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 $QBP1+TDP-43 0.94 mM 'natural abundance' 'potassium hydrogen phosphate' 10 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $QBP1+TDP-43 0.94 mM 'natural abundance' 'potassium hydrogen phosphate' 10 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _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_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_DQF-COSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 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' 0.02 . M pH 6.8 0.2 pH pressure 1 . atm temperature 278.2 0.1 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 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_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '2D DQF-COSY' '2D 1H-13C HSQC aliphatic' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name QBP1+TDP-43 _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 1 TRP H H 8.34 0.005 1 2 1 1 TRP HA H 4.47 0.005 1 3 1 1 TRP HB2 H 3.15 0.005 2 4 1 1 TRP HB3 H 3.15 0.005 2 5 1 1 TRP HD1 H 7.11 0.005 1 6 1 1 TRP HE1 H 10.02 0.005 1 7 1 1 TRP HE3 H 7.53 0.005 1 8 1 1 TRP HZ2 H 7.44 0.005 1 9 1 1 TRP HZ3 H 7.10 0.005 1 10 1 1 TRP HH2 H 7.22 0.005 1 11 1 1 TRP CA C 57.5 0.1 1 12 1 1 TRP CB C 29.4 0.1 1 13 1 1 TRP N N 127.5 0.15 1 14 1 1 TRP NE1 N 128.9 0.15 1 15 2 2 LYS H H 7.92 0.005 1 16 2 2 LYS HA H 4.09 0.005 1 17 2 2 LYS HB2 H 1.46 0.005 2 18 2 2 LYS HB3 H 1.38 0.005 2 19 2 2 LYS HG2 H 1.03 0.005 2 20 2 2 LYS HG3 H 1.03 0.005 2 21 2 2 LYS HD2 H 1.48 0.005 2 22 2 2 LYS HD3 H 1.48 0.005 2 23 2 2 LYS HE2 H 2.73 0.005 2 24 2 2 LYS HE3 H 2.73 0.005 2 25 2 2 LYS CA C 57.5 0.1 1 26 2 2 LYS CB C 33.6 0.1 1 27 2 2 LYS CG C 24.4 0.1 1 28 2 2 LYS CD C 28.9 0.1 1 29 2 2 LYS CE C 41.7 0.1 1 30 2 2 LYS N N 121.8 0.15 1 31 3 3 TRP H H 7.95 0.005 1 32 3 3 TRP HA H 4.25 0.005 1 33 3 3 TRP HB2 H 3.06 0.005 2 34 3 3 TRP HB3 H 3.06 0.005 2 35 3 3 TRP HD1 H 7.21 0.005 1 36 3 3 TRP HE1 H 10.22 0.005 1 37 3 3 TRP HE3 H 7.53 0.005 1 38 3 3 TRP HZ2 H 7.44 0.005 1 39 3 3 TRP HZ3 H 7.10 0.005 1 40 3 3 TRP HH2 H 7.22 0.005 1 41 3 3 TRP CA C 57.5 0.1 1 42 3 3 TRP CB C 29.6 0.1 1 43 3 3 TRP N N 124.0 0.15 1 44 4 4 TRP H H 7.95 0.005 1 45 4 4 TRP HA H 4.62 0.005 1 46 4 4 TRP HB2 H 3.13 0.005 2 47 4 4 TRP HB3 H 2.96 0.005 1 48 4 4 TRP HD1 H 7.07 0.005 1 49 4 4 TRP HE1 H 10.17 0.005 1 50 4 4 TRP HE3 H 7.46 0.005 1 51 4 4 TRP HZ2 H 7.40 0.005 1 52 4 4 TRP HZ3 H 7.05 0.005 1 53 4 4 TRP HH2 H 7.16 0.005 1 54 4 4 TRP CA C 54.5 0.1 1 55 4 4 TRP CB C 28.9 0.1 1 56 4 4 TRP N N 125.0 0.15 1 57 4 4 TRP NE1 N 129.4 0.15 1 58 5 5 PRO HA H 4.07 0.005 1 59 5 5 PRO HB2 H 2.23 0.005 2 60 5 5 PRO HB3 H 1.86 0.005 2 61 5 5 PRO HG2 H 1.95 0.005 2 62 5 5 PRO HG3 H 1.95 0.005 2 63 5 5 PRO HD2 H 3.45 0.005 2 64 5 5 PRO HD3 H 3.45 0.005 2 65 5 5 PRO CA C 63.5 0.1 1 66 5 5 PRO CB C 31.9 0.1 1 67 5 5 PRO CG C 27.2 0.1 1 68 5 5 PRO CD C 50.5 0.1 1 69 6 6 GLY H H 7.68 0.005 1 70 6 6 GLY HA2 H 3.75 0.005 2 71 6 6 GLY HA3 H 3.67 0.005 2 72 6 6 GLY CA C 44.9 0.1 1 73 6 6 GLY N N 108.0 0.15 1 74 7 7 ILE H H 7.71 0.005 1 75 7 7 ILE HA H 3.93 0.005 1 76 7 7 ILE HB H 1.41 0.005 1 77 7 7 ILE HG12 H 1.15 0.005 2 78 7 7 ILE HG13 H 0.93 0.005 2 79 7 7 ILE HG2 H 0.61 0.005 1 80 7 7 ILE HD1 H 0.62 0.005 1 81 7 7 ILE CA C 61.4 0.1 1 82 7 7 ILE CB C 38.3 0.1 1 83 7 7 ILE CG1 C 27.3 0.1 1 84 7 7 ILE CG2 C 16.9 0.1 1 85 7 7 ILE CD1 C 13.1 0.1 1 86 7 7 ILE N N 120.0 0.15 1 87 8 8 PHE H H 8.53 0.005 1 88 8 8 PHE HA H 4.64 0.005 1 89 8 8 PHE HB2 H 3.16 0.005 2 90 8 8 PHE HB3 H 2.99 0.005 2 91 8 8 PHE HD1 H 7.22 0.005 3 92 8 8 PHE HD2 H 7.22 0.005 3 93 8 8 PHE HE1 H 7.33 0.005 3 94 8 8 PHE HE2 H 7.33 0.005 3 95 8 8 PHE HZ H 7.29 0.005 1 96 8 8 PHE CA C 57.9 0.1 1 97 8 8 PHE CB C 39.1 0.1 1 98 8 8 PHE N N 124.1 0.15 1 99 9 9 GLY H H 8.32 0.005 1 100 9 9 GLY HA2 H 3.91 0.005 2 101 9 9 GLY HA3 H 3.78 0.005 2 102 9 9 GLY CA C 45.1 0.1 1 103 9 9 GLY N N 111.3 0.15 1 104 10 10 GLY H H 8.10 0.005 1 105 10 10 GLY HA2 H 3.90 0.005 2 106 10 10 GLY HA3 H 3.90 0.005 2 107 10 10 GLY CA C 44.9 0.1 1 108 10 10 GLY N N 108.1 0.15 1 109 11 11 GLY H H 8.10 0.005 1 110 11 11 GLY HA2 H 3.91 0.005 2 111 11 11 GLY HA3 H 3.91 0.005 2 112 11 11 GLY CA C 45.0 0.1 1 113 11 11 GLY N N 108.7 0.15 1 114 12 12 ALA H H 8.35 0.005 1 115 12 12 ALA HA H 4.30 0.005 1 116 12 12 ALA HB H 1.37 0.005 1 117 12 12 ALA CA C 52.6 0.1 1 118 12 12 ALA CB C 19.1 0.1 1 119 12 12 ALA N N 123.5 0.15 1 120 13 13 SER H H 8.53 0.005 1 121 13 13 SER HA H 4.37 0.005 1 122 13 13 SER HB2 H 3.84 0.005 2 123 13 13 SER HB3 H 3.84 0.005 2 124 13 13 SER CA C 58.3 0.15 1 125 13 13 SER CB C 63.8 0.1 1 126 13 13 SER N N 114.6 0.15 1 127 14 14 GLN H H 8.41 0.005 1 128 14 14 GLN HA H 4.26 0.005 1 129 14 14 GLN HB2 H 2.08 0.005 2 130 14 14 GLN HB3 H 2.08 0.005 2 131 14 14 GLN HG2 H 2.28 0.005 2 132 14 14 GLN HG3 H 2.28 0.005 2 133 14 14 GLN HE21 H 7.75 0.005 2 134 14 14 GLN HE22 H 6.95 0.005 2 135 14 14 GLN CA C 55.9 0.1 1 136 14 14 GLN CB C 29.3 0.1 1 137 14 14 GLN CG C 33.6 0.1 1 138 14 14 GLN N N 121.6 0.15 1 139 14 14 GLN NE2 N 112.6 0.15 1 140 15 15 GLN H H 8.42 0.005 1 141 15 15 GLN HA H 4.23 0.005 1 142 15 15 GLN HB2 H 2.05 0.005 1 143 15 15 GLN HB3 H 2.05 0.005 1 144 15 15 GLN HG2 H 2.30 0.005 1 145 15 15 GLN HG3 H 2.30 0.005 1 146 15 15 GLN HE21 H 7.56 0.005 2 147 15 15 GLN HE22 H 6.94 0.005 2 148 15 15 GLN CA C 55.9 0.1 1 149 15 15 GLN CB C 29.3 0.1 1 150 15 15 GLN CG C 33.6 0.1 1 151 15 15 GLN N N 120.7 0.15 1 152 15 15 GLN NE2 N 112.6 0.2 1 153 16 16 ASN H H 8.56 0.005 1 154 16 16 ASN HA H 4.66 0.005 1 155 16 16 ASN HB2 H 2.80 0.005 2 156 16 16 ASN HB3 H 2.72 0.005 2 157 16 16 ASN HD21 H 7.68 0.005 2 158 16 16 ASN HD22 H 7.01 0.005 2 159 16 16 ASN CA C 53.3 0.1 1 160 16 16 ASN CB C 38.6 0.1 1 161 16 16 ASN N N 119.3 0.15 1 162 16 16 ASN ND2 N 112.8 0.2 1 163 17 17 GLN H H 8.50 0.005 1 164 17 17 GLN HA H 4.34 0.005 1 165 17 17 GLN HB2 H 2.15 0.005 2 166 17 17 GLN HB3 H 1.95 0.005 2 167 17 17 GLN HG2 H 2.32 0.005 2 168 17 17 GLN HG3 H 2.32 0.005 2 169 17 17 GLN HE21 H 7.60 0.005 2 170 17 17 GLN HE22 H 6.94 0.005 2 171 17 17 GLN CA C 55.9 0.1 1 172 17 17 GLN CB C 29.3 0.1 1 173 17 17 GLN CG C 33.6 0.1 1 174 17 17 GLN N N 120.7 0.15 1 175 17 17 GLN NE2 N 112.6 0.2 1 176 18 18 SER H H 8.49 0.005 1 177 18 18 SER HA H 4.48 0.005 1 178 18 18 SER HB2 H 3.86 0.005 2 179 18 18 SER HB3 H 3.86 0.005 2 180 18 18 SER CA C 58.2 0.1 1 181 18 18 SER CB C 63.6 0.1 1 182 18 18 SER N N 116.7 0.15 1 183 19 19 GLY H H 8.29 0.005 1 184 19 19 GLY HA2 H 4.03 0.005 2 185 19 19 GLY HA3 H 4.03 0.005 2 186 19 19 GLY CA C 44.5 0.1 1 187 19 19 GLY N N 110.4 0.15 1 188 20 20 PRO HA H 4.41 0.005 1 189 20 20 PRO HB2 H 2.23 0.005 2 190 20 20 PRO HB3 H 1.94 0.005 2 191 20 20 PRO HG2 H 2.00 0.005 2 192 20 20 PRO HG3 H 2.00 0.005 2 193 20 20 PRO HD2 H 3.56 0.005 2 194 20 20 PRO HD3 H 3.49 0.005 2 195 20 20 PRO CA C 63.3 0.1 1 196 20 20 PRO CB C 32.1 0.1 1 197 20 20 PRO CG C 27.2 0.1 1 198 20 20 PRO CD C 49.6 0.1 1 199 21 21 SER H H 8.63 0.005 1 200 21 21 SER HA H 4.42 0.005 1 201 21 21 SER HB2 H 3.89 0.005 2 202 21 21 SER HB3 H 3.89 0.005 2 203 21 21 SER CA C 58.3 0.1 1 204 21 21 SER CB C 63.6 0.1 1 205 21 21 SER N N 116.0 0.15 1 206 22 22 GLY H H 8.45 0.005 1 207 22 22 GLY HA2 H 3.95 0.005 2 208 22 22 GLY HA3 H 3.95 0.005 2 209 22 22 GLY CA C 45.2 0.1 1 210 22 22 GLY N N 110.4 0.15 1 211 23 23 ASN H H 8.43 0.005 1 212 23 23 ASN HA H 4.72 0.005 1 213 23 23 ASN HB2 H 2.82 0.005 2 214 23 23 ASN HB3 H 2.73 0.005 2 215 23 23 ASN HD21 H 7.68 0.005 2 216 23 23 ASN HD22 H 7.01 0.005 2 217 23 23 ASN CA C 53.0 0.1 1 218 23 23 ASN CB C 38.6 0.1 1 219 23 23 ASN N N 118.3 0.15 1 220 23 23 ASN ND2 N 112.8 0.2 1 221 24 24 ASN H H 8.59 0.005 1 222 24 24 ASN HA H 4.67 0.005 1 223 24 24 ASN HB2 H 2.83 0.005 2 224 24 24 ASN HB3 H 2.75 0.005 2 225 24 24 ASN HD21 H 7.68 0.005 2 226 24 24 ASN HD22 H 7.01 0.005 2 227 24 24 ASN CA C 53.3 0.1 1 228 24 24 ASN CB C 38.6 0.1 1 229 24 24 ASN N N 119.1 0.15 1 230 24 24 ASN ND2 N 112.8 0.2 1 231 25 25 GLN H H 8.51 0.005 1 232 25 25 GLN HA H 4.29 0.005 1 233 25 25 GLN HB2 H 2.13 0.005 2 234 25 25 GLN HB3 H 1.95 0.005 2 235 25 25 GLN HG2 H 2.32 0.005 2 236 25 25 GLN HG3 H 2.32 0.005 2 237 25 25 GLN HE21 H 7.58 0.005 2 238 25 25 GLN HE22 H 6.94 0.005 2 239 25 25 GLN CA C 55.9 0.1 1 240 25 25 GLN CB C 29.3 0.1 1 241 25 25 GLN CG C 33.6 0.1 1 242 25 25 GLN N N 120.8 0.15 1 243 25 25 GLN NE2 N 112.6 0.2 1 244 26 26 ASN H H 8.59 0.005 1 245 26 26 ASN HA H 4.66 0.005 1 246 26 26 ASN HB2 H 2.83 0.005 2 247 26 26 ASN HB3 H 2.75 0.005 2 248 26 26 ASN HD21 H 7.72 0.005 2 249 26 26 ASN HD22 H 7.02 0.005 2 250 26 26 ASN CA C 53.3 0.1 1 251 26 26 ASN CB C 38.6 0.1 1 252 26 26 ASN N N 119.2 0.15 1 253 26 26 ASN ND2 N 113.1 0.15 1 254 27 27 GLN H H 8.51 0.005 1 255 27 27 GLN HA H 4.34 0.005 1 256 27 27 GLN HB2 H 2.13 0.005 2 257 27 27 GLN HB3 H 1.95 0.005 2 258 27 27 GLN HG2 H 2.32 0.005 2 259 27 27 GLN HG3 H 2.32 0.005 2 260 27 27 GLN HE21 H 7.58 0.005 2 261 27 27 GLN HE22 H 6.94 0.005 2 262 27 27 GLN CA C 55.7 0.1 1 263 27 27 GLN CB C 29.3 0.1 1 264 27 27 GLN CG C 33.6 0.1 1 265 27 27 GLN N N 119.9 0.15 1 266 27 27 GLN NE2 N 112.6 0.1 1 267 28 28 GLY H H 8.23 0.005 1 268 28 28 GLY HA2 H 3.74 0.005 2 269 28 28 GLY HA3 H 3.74 0.005 2 270 28 28 GLY CA C 45.9 0.1 1 271 28 28 GLY N N 116.4 0.15 1 stop_ save_