data_26754 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; BAZ2A PHD ; _BMRB_accession_number 26754 _BMRB_flat_file_name bmr26754.str _Entry_type original _Submission_date 2016-03-09 _Accession_date 2016-03-09 _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 Bortoluzzi Alessio . . 2 Ciulli Alessio . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 53 "13C chemical shifts" 160 "15N chemical shifts" 53 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-06-09 update BMRB 'update entry citation' 2017-04-13 original author 'original release' stop_ _Original_release_date 2016-03-09 save_ ############################# # Citation for this entry # ############################# save_citattion_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural Basis of Molecular Recognition of Helical Histone H3 Tail by PHD Finger Domains ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28341809 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bortoluzzi Alessio . . 2 Amato Anastasia . . 3 Lucas Xavier . . 4 Blank Manuel . . 5 Ciulli Alessio . . stop_ _Journal_abbreviation 'Biochem J.' _Journal_volume 474 _Journal_issue 10 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1633 _Page_last 1651 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'PHD domain of human BAZ2A' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'BAZ2A PHD' $BAZ2A_PHD Zinc1 $entity_ZN Zinc2 $entity_ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Epigenetic reader domain' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_BAZ2A_PHD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common BAZ2A_PHD _Molecular_mass . _Mol_thiol_state 'free disulfide and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 58 _Mol_residue_sequence ; HMSVNKVTCLVCRKGDNDEF LLLCDGCDRGCHIYCHRPKM EAVPEGDWFCTVCLAQQV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 HIS 2 2 MET 3 3 SER 4 4 VAL 5 5 ASN 6 6 LYS 7 7 VAL 8 8 THR 9 9 CYS 10 10 LEU 11 11 VAL 12 12 CYS 13 13 ARG 14 14 LYS 15 15 GLY 16 16 ASP 17 17 ASN 18 18 ASP 19 19 GLU 20 20 PHE 21 21 LEU 22 22 LEU 23 23 LEU 24 24 CYS 25 25 ASP 26 26 GLY 27 27 CYS 28 28 ASP 29 29 ARG 30 30 GLY 31 31 CYS 32 32 HIS 33 33 ILE 34 34 TYR 35 35 CYS 36 36 HIS 37 37 ARG 38 38 PRO 39 39 LYS 40 40 MET 41 41 GLU 42 42 ALA 43 43 VAL 44 44 PRO 45 45 GLU 46 46 GLY 47 47 ASP 48 48 TRP 49 49 PHE 50 50 CYS 51 51 THR 52 52 VAL 53 53 CYS 54 54 LEU 55 55 ALA 56 56 GLN 57 57 GLN 58 58 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type NON-POLYMER _Name_common 'ZINC ION' _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $BAZ2A_PHD human 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 $BAZ2A_PHD 'recombinant technology' . Escherichia coli . 'Modified pET15' 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 $BAZ2A_PHD 350 uM '[U-98% 13C; U-98% 15N]' DTT 1 mM 'natural abundance' 'potassium chloride' 50 mM 'natural abundance' 'potassium phosphate' 25 mM 'natural abundance' 'sodium azide' 0.02 w/v 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . 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 III HD' _Field_strength 500 _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_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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' 0.200 . M pH 6.9 . pH pressure 1 . atm temperature 273 . 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_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCACB' '3D HNCA' '3D CBCA(CO)NH' 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 'BAZ2A PHD' _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 3 3 SER C C 174.494 0.000 1 2 3 3 SER CA C 58.221 0.038 1 3 3 3 SER CB C 63.824 0.042 1 4 4 4 VAL H H 8.133 0.003 1 5 4 4 VAL C C 175.721 0.000 1 6 4 4 VAL CA C 62.281 0.010 1 7 4 4 VAL CB C 32.405 0.073 1 8 4 4 VAL N N 121.025 0.051 1 9 5 5 ASN H H 8.289 0.003 1 10 5 5 ASN C C 174.615 0.000 1 11 5 5 ASN CA C 52.962 0.050 1 12 5 5 ASN CB C 39.101 0.071 1 13 5 5 ASN N N 121.361 0.011 1 14 6 6 LYS H H 8.190 0.003 1 15 6 6 LYS C C 176.005 0.000 1 16 6 6 LYS CA C 56.095 0.042 1 17 6 6 LYS CB C 32.601 0.022 1 18 6 6 LYS N N 121.940 0.038 1 19 7 7 VAL H H 8.048 0.002 1 20 7 7 VAL C C 174.814 0.000 1 21 7 7 VAL CA C 62.429 0.063 1 22 7 7 VAL CB C 32.596 0.019 1 23 7 7 VAL N N 124.058 0.051 1 24 8 8 THR H H 7.925 0.004 1 25 8 8 THR C C 172.794 0.000 1 26 8 8 THR CA C 59.622 0.050 1 27 8 8 THR CB C 71.386 0.060 1 28 8 8 THR N N 116.190 0.069 1 29 9 9 CYS H H 7.958 0.004 1 30 9 9 CYS C C 177.693 0.000 1 31 9 9 CYS CA C 58.672 0.087 1 32 9 9 CYS CB C 31.357 0.017 1 33 9 9 CYS N N 124.150 0.064 1 34 10 10 LEU H H 9.132 0.002 1 35 10 10 LEU C C 176.214 0.000 1 36 10 10 LEU CA C 57.885 0.040 1 37 10 10 LEU CB C 41.887 0.069 1 38 10 10 LEU N N 130.540 0.080 1 39 11 11 VAL H H 8.946 0.002 1 40 11 11 VAL C C 176.875 0.000 1 41 11 11 VAL CA C 65.429 0.017 1 42 11 11 VAL CB C 33.152 0.013 1 43 11 11 VAL N N 123.308 0.032 1 44 12 12 CYS H H 8.207 0.003 1 45 12 12 CYS C C 175.745 0.000 1 46 12 12 CYS CA C 59.302 0.048 1 47 12 12 CYS CB C 30.773 0.029 1 48 12 12 CYS N N 117.703 0.066 1 49 13 13 ARG H H 7.825 0.003 1 50 13 13 ARG C C 175.027 0.000 1 51 13 13 ARG CA C 57.309 0.057 1 52 13 13 ARG CB C 26.128 0.074 1 53 13 13 ARG N N 115.668 0.053 1 54 14 14 LYS H H 8.243 0.003 1 55 14 14 LYS C C 177.287 0.000 1 56 14 14 LYS CA C 55.609 0.088 1 57 14 14 LYS CB C 35.538 0.000 1 58 14 14 LYS N N 118.900 0.040 1 59 15 15 GLY H H 8.849 0.002 1 60 15 15 GLY C C 173.643 0.000 1 61 15 15 GLY CA C 44.936 0.085 1 62 15 15 GLY N N 110.644 0.030 1 63 16 16 ASP H H 7.692 0.002 1 64 16 16 ASP C C 174.916 0.000 1 65 16 16 ASP CA C 52.598 0.050 1 66 16 16 ASP CB C 41.187 0.063 1 67 16 16 ASP N N 117.699 0.025 1 68 17 17 ASN H H 8.978 0.003 1 69 17 17 ASN C C 176.524 0.000 1 70 17 17 ASN CA C 53.773 0.074 1 71 17 17 ASN CB C 38.050 0.037 1 72 17 17 ASN N N 117.104 0.015 1 73 18 18 ASP H H 8.341 0.002 1 74 18 18 ASP C C 177.895 0.000 1 75 18 18 ASP CA C 56.929 0.036 1 76 18 18 ASP CB C 40.437 0.000 1 77 18 18 ASP N N 116.042 0.055 1 78 19 19 GLU H H 9.385 0.004 1 79 19 19 GLU C C 176.738 0.000 1 80 19 19 GLU CA C 58.154 0.035 1 81 19 19 GLU CB C 28.198 0.037 1 82 19 19 GLU N N 120.782 0.041 1 83 20 20 PHE H H 8.224 0.003 1 84 20 20 PHE C C 174.124 0.000 1 85 20 20 PHE CA C 56.521 0.078 1 86 20 20 PHE CB C 39.784 0.015 1 87 20 20 PHE N N 117.261 0.059 1 88 21 21 LEU H H 7.344 0.002 1 89 21 21 LEU C C 174.856 0.000 1 90 21 21 LEU CA C 55.039 0.084 1 91 21 21 LEU CB C 43.210 0.019 1 92 21 21 LEU N N 122.728 0.054 1 93 22 22 LEU H H 8.019 0.003 1 94 22 22 LEU C C 175.440 0.000 1 95 22 22 LEU CA C 54.430 0.023 1 96 22 22 LEU CB C 41.406 0.030 1 97 22 22 LEU N N 126.332 0.051 1 98 23 23 LEU H H 8.065 0.004 1 99 23 23 LEU C C 175.816 0.000 1 100 23 23 LEU CA C 53.323 0.084 1 101 23 23 LEU CB C 42.572 0.027 1 102 23 23 LEU N N 122.315 0.002 1 103 24 24 CYS H H 8.564 0.003 1 104 24 24 CYS C C 176.592 0.000 1 105 24 24 CYS CA C 60.313 0.063 1 106 24 24 CYS CB C 30.197 0.050 1 107 24 24 CYS N N 127.057 0.050 1 108 25 25 ASP H H 8.607 0.004 1 109 25 25 ASP C C 176.590 0.000 1 110 25 25 ASP CA C 56.917 0.033 1 111 25 25 ASP CB C 41.622 0.060 1 112 25 25 ASP N N 127.579 0.060 1 113 26 26 GLY H H 10.205 0.004 1 114 26 26 GLY C C 173.906 0.000 1 115 26 26 GLY CA C 45.673 0.059 1 116 26 26 GLY N N 114.176 0.041 1 117 27 27 CYS H H 7.674 0.003 1 118 27 27 CYS C C 173.765 0.000 1 119 27 27 CYS CA C 58.630 0.098 1 120 27 27 CYS CB C 31.010 0.029 1 121 27 27 CYS N N 121.726 0.025 1 122 28 28 ASP H H 7.899 0.004 1 123 28 28 ASP C C 176.165 0.000 1 124 28 28 ASP CA C 54.764 0.047 1 125 28 28 ASP CB C 40.434 0.007 1 126 28 28 ASP N N 117.126 0.053 1 127 29 29 ARG H H 8.889 0.004 1 128 29 29 ARG C C 175.865 0.000 1 129 29 29 ARG CA C 57.255 0.018 1 130 29 29 ARG CB C 32.165 0.020 1 131 29 29 ARG N N 121.273 0.016 1 132 30 30 GLY H H 7.900 0.004 1 133 30 30 GLY C C 172.980 0.000 1 134 30 30 GLY CA C 44.741 0.030 1 135 30 30 GLY N N 105.496 0.053 1 136 31 31 CYS H H 8.505 0.012 1 137 31 31 CYS C C 174.743 0.000 1 138 31 31 CYS CA C 57.295 0.069 1 139 31 31 CYS CB C 30.580 0.052 1 140 31 31 CYS N N 118.390 0.113 1 141 32 32 HIS H H 9.663 0.003 1 142 32 32 HIS C C 179.898 0.000 1 143 32 32 HIS CA C 59.561 0.045 1 144 32 32 HIS CB C 30.349 0.043 1 145 32 32 HIS N N 130.456 0.085 1 146 33 33 ILE H H 8.881 0.003 1 147 33 33 ILE C C 175.747 0.000 1 148 33 33 ILE CA C 66.196 0.086 1 149 33 33 ILE CB C 36.929 0.042 1 150 33 33 ILE N N 118.610 0.048 1 151 34 34 TYR H H 6.035 0.004 1 152 34 34 TYR C C 176.542 0.000 1 153 34 34 TYR CA C 56.019 0.052 1 154 34 34 TYR CB C 36.522 0.049 1 155 34 34 TYR N N 111.485 0.062 1 156 35 35 CYS H H 7.060 0.003 1 157 35 35 CYS C C 174.288 0.000 1 158 35 35 CYS CA C 61.063 0.078 1 159 35 35 CYS CB C 31.471 0.100 1 160 35 35 CYS N N 122.863 0.062 1 161 36 36 HIS H H 6.808 0.003 1 162 36 36 HIS C C 173.320 0.000 1 163 36 36 HIS CA C 58.994 0.079 1 164 36 36 HIS CB C 29.773 0.000 1 165 36 36 HIS N N 119.502 0.053 1 166 37 37 ARG H H 7.246 0.006 1 167 37 37 ARG CA C 52.436 0.055 1 168 37 37 ARG CB C 31.280 0.000 1 169 37 37 ARG N N 123.932 0.042 1 170 38 38 PRO C C 176.187 0.000 1 171 38 38 PRO CA C 63.001 0.067 1 172 38 38 PRO CB C 34.502 0.016 1 173 39 39 LYS H H 8.546 0.003 1 174 39 39 LYS C C 176.708 0.000 1 175 39 39 LYS CA C 58.126 0.020 1 176 39 39 LYS CB C 32.835 0.092 1 177 39 39 LYS N N 121.977 0.017 1 178 40 40 MET H H 8.069 0.003 1 179 40 40 MET C C 175.165 0.000 1 180 40 40 MET CA C 54.559 0.035 1 181 40 40 MET CB C 35.617 0.000 1 182 40 40 MET N N 122.579 0.060 1 183 41 41 GLU H H 8.717 0.003 1 184 41 41 GLU C C 175.381 0.000 1 185 41 41 GLU CA C 56.756 0.065 1 186 41 41 GLU CB C 30.349 0.031 1 187 41 41 GLU N N 120.235 0.060 1 188 42 42 ALA H H 7.386 0.003 1 189 42 42 ALA C C 175.782 0.000 1 190 42 42 ALA CA C 50.422 0.021 1 191 42 42 ALA CB C 21.730 0.031 1 192 42 42 ALA N N 119.402 0.053 1 193 43 43 VAL H H 8.537 0.003 1 194 43 43 VAL CA C 60.944 0.082 1 195 43 43 VAL CB C 32.041 0.000 1 196 43 43 VAL N N 122.221 0.091 1 197 44 44 PRO C C 176.429 0.000 1 198 44 44 PRO CA C 62.672 0.026 1 199 44 44 PRO CB C 32.076 0.026 1 200 45 45 GLU H H 8.459 0.003 1 201 45 45 GLU C C 177.080 0.000 1 202 45 45 GLU CA C 56.683 0.026 1 203 45 45 GLU CB C 30.144 0.039 1 204 45 45 GLU N N 120.669 0.008 1 205 46 46 GLY H H 8.093 0.002 1 206 46 46 GLY C C 172.941 0.000 1 207 46 46 GLY CA C 44.261 0.056 1 208 46 46 GLY N N 110.048 0.075 1 209 47 47 ASP H H 8.133 0.003 1 210 47 47 ASP C C 175.757 0.000 1 211 47 47 ASP CA C 54.449 0.055 1 212 47 47 ASP CB C 41.625 0.047 1 213 47 47 ASP N N 120.591 0.004 1 214 48 48 TRP H H 9.132 0.003 1 215 48 48 TRP C C 171.968 0.000 1 216 48 48 TRP CA C 59.392 0.024 1 217 48 48 TRP CB C 30.144 0.041 1 218 48 48 TRP N N 124.643 0.042 1 219 49 49 PHE H H 6.645 0.003 1 220 49 49 PHE C C 173.763 0.000 1 221 49 49 PHE CA C 54.672 0.065 1 222 49 49 PHE CB C 42.657 0.027 1 223 49 49 PHE N N 122.223 0.039 1 224 50 50 CYS H H 9.110 0.003 1 225 50 50 CYS C C 174.771 0.000 1 226 50 50 CYS CB C 31.452 0.078 1 227 50 50 CYS N N 123.924 0.049 1 228 51 51 THR H H 8.005 0.002 1 229 51 51 THR C C 176.592 0.000 1 230 51 51 THR CA C 65.306 0.062 1 231 51 51 THR CB C 69.080 0.021 1 232 51 51 THR N N 123.313 0.000 1 233 52 52 VAL H H 8.059 0.003 1 234 52 52 VAL C C 179.075 0.000 1 235 52 52 VAL CA C 66.445 0.049 1 236 52 52 VAL CB C 31.700 0.025 1 237 52 52 VAL N N 125.077 0.049 1 238 53 53 CYS H H 8.529 0.003 1 239 53 53 CYS C C 179.308 0.000 1 240 53 53 CYS CA C 65.741 0.051 1 241 53 53 CYS CB C 28.342 0.076 1 242 53 53 CYS N N 125.286 0.015 1 243 54 54 LEU H H 9.134 0.000 1 244 54 54 LEU C C 178.619 0.000 1 245 54 54 LEU CA C 56.957 0.042 1 246 54 54 LEU CB C 41.962 0.043 1 247 54 54 LEU N N 118.718 0.038 1 248 55 55 ALA H H 7.262 0.002 1 249 55 55 ALA C C 178.155 0.000 1 250 55 55 ALA CA C 53.347 0.062 1 251 55 55 ALA CB C 18.109 0.067 1 252 55 55 ALA N N 120.301 0.046 1 253 56 56 GLN H H 7.410 0.002 1 254 56 56 GLN C C 175.957 0.000 1 255 56 56 GLN CA C 55.604 0.079 1 256 56 56 GLN CB C 29.078 0.078 1 257 56 56 GLN N N 115.631 0.036 1 258 57 57 GLN H H 7.641 0.002 1 259 57 57 GLN C C 175.009 0.000 1 260 57 57 GLN CA C 55.760 0.038 1 261 57 57 GLN CB C 28.732 0.003 1 262 57 57 GLN N N 120.447 0.042 1 263 58 58 VAL H H 7.484 0.002 1 264 58 58 VAL CA C 63.574 0.009 1 265 58 58 VAL CB C 32.905 0.000 1 266 58 58 VAL N N 124.597 0.041 1 stop_ save_