data_27250 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; CW domain of ASHH2 methyltransferase ; _BMRB_accession_number 27250 _BMRB_flat_file_name bmr27250.str _Entry_type original _Submission_date 2017-09-09 _Accession_date 2017-09-09 _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 Dobrovolska Olena . . 2 Halskau Oyvind . . 3 Brilkov Maxim . . 4 Aasland Rein . . 5 Stromland Oyvind . . 6 Odegard Oyvind . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 74 "13C chemical shifts" 144 "15N chemical shifts" 74 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-03-28 update BMRB 'update entry citation' 2018-03-08 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 27251 'CW42 bound to H3K4me1' stop_ _Original_release_date 2017-09-11 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C, and 15N resonance assignments of CW domain of the N-methyltransferase ASHH2 free and bound to the mono-, di- and tri-methylated histone H3 tail peptides ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29453713 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dobrovolska Olena . . 2 Brilkov Maxim . . 3 Odegard Oyvind . . 4 Aasland Rein . . 5 Halskau Oyvind . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 12 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 215 _Page_last 220 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CW domain of ASHH2 methyltransferase' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CW domain of ASHH2 methyltransferase' $CW42 'ZINC ION' $entity_ZN 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_CW42 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CW42 _Molecular_mass . _Mol_thiol_state 'other bound and free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 79 _Mol_residue_sequence ; GSRRASVGSEFTESAWVRCD DCFKWRRIPASVVGSIDESS RWICMNNSDKRFADCSKSQE MSNEEINEELGIGQDEADA ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 ARG 4 ARG 5 ALA 6 SER 7 VAL 8 GLY 9 SER 10 GLU 11 PHE 12 THR 13 GLU 14 SER 15 ALA 16 TRP 17 VAL 18 ARG 19 CYS 20 ASP 21 ASP 22 CYS 23 PHE 24 LYS 25 TRP 26 ARG 27 ARG 28 ILE 29 PRO 30 ALA 31 SER 32 VAL 33 VAL 34 GLY 35 SER 36 ILE 37 ASP 38 GLU 39 SER 40 SER 41 ARG 42 TRP 43 ILE 44 CYS 45 MET 46 ASN 47 ASN 48 SER 49 ASP 50 LYS 51 ARG 52 PHE 53 ALA 54 ASP 55 CYS 56 SER 57 LYS 58 SER 59 GLN 60 GLU 61 MET 62 SER 63 ASN 64 GLU 65 GLU 66 ILE 67 ASN 68 GLU 69 GLU 70 LEU 71 GLY 72 ILE 73 GLY 74 GLN 75 ASP 76 GLU 77 ALA 78 ASP 79 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_ZN (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_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CW42 'Thale cress' 3702 Eukaryota Viridiplantae Arabidopsis thaliana 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 $CW42 'recombinant technology' . Escherichia coli . pSXG 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 $CW42 1 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' DTT 1 mM 'natural abundance' D2O 10 % '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version '3.5 pI5' loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Ascend _Field_strength 850 _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_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _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' 0.05 . M pH 6.4 . 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 water C 13 protons ppm 0.00 na indirect . . . 0.2514 water H 1 protons ppm 0.00 na direct . . . 1.000000000 water N 15 protons ppm 0.00 na indirect . . . 0.101 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 HNCACB' '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 'CW domain of ASHH2 methyltransferase' _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 4 4 ARG H H 8.675 0.020 1 2 4 4 ARG CA C 52.848 0.3 1 3 4 4 ARG CB C 29.414 0.3 1 4 4 4 ARG N N 122.099 0.3 1 5 5 5 ALA H H 8.407 0.020 1 6 5 5 ALA CA C 49.110 0.3 1 7 5 5 ALA CB C 17.553 0.3 1 8 5 5 ALA N N 124.583 0.3 1 9 6 6 SER H H 8.489 0.020 1 10 6 6 SER CA C 55.364 0.3 1 11 6 6 SER CB C 61.618 0.3 1 12 6 6 SER N N 115.778 0.3 1 13 7 7 VAL H H 8.269 0.020 1 14 7 7 VAL CA C 59.389 0.3 1 15 7 7 VAL CB C 30.061 0.3 1 16 7 7 VAL N N 120.974 0.3 1 17 8 8 GLY H H 8.512 0.020 1 18 8 8 GLY CA C 42.497 0.3 1 19 8 8 GLY N N 112.384 0.3 1 20 9 9 SER H H 8.145 0.020 1 21 9 9 SER CA C 55.723 0.3 1 22 9 9 SER CB C 61.258 0.3 1 23 9 9 SER N N 115.528 0.3 1 24 10 10 GLU H H 8.614 0.020 1 25 10 10 GLU CA C 54.429 0.3 1 26 10 10 GLU CB C 26.826 0.3 1 27 10 10 GLU N N 122.023 0.3 1 28 11 11 PHE H H 8.114 0.020 1 29 11 11 PHE CA C 54.789 0.3 1 30 11 11 PHE CB C 36.243 0.3 1 31 11 11 PHE N N 119.220 0.3 1 32 12 12 THR H H 7.700 0.020 1 33 12 12 THR CA C 59.102 0.3 1 34 12 12 THR CB C 66.937 0.3 1 35 12 12 THR N N 113.895 0.3 1 36 13 13 GLU H H 8.361 0.020 1 37 13 13 GLU CA C 54.286 0.3 1 38 13 13 GLU CB C 27.186 0.3 1 39 13 13 GLU N N 121.779 0.3 1 40 14 14 SER H H 8.065 0.020 1 41 14 14 SER CA C 55.292 0.3 1 42 14 14 SER CB C 62.768 0.3 1 43 14 14 SER N N 116.039 0.3 1 44 15 15 ALA H H 8.715 0.020 1 45 15 15 ALA CA C 47.888 0.3 1 46 15 15 ALA CB C 19.638 0.3 1 47 15 15 ALA N N 125.512 0.3 1 48 16 16 TRP H H 8.386 0.020 1 49 16 16 TRP CA C 53.207 0.3 1 50 16 16 TRP CB C 29.702 0.3 1 51 16 16 TRP N N 118.404 0.3 1 52 17 17 VAL H H 9.231 0.020 1 53 17 17 VAL CA C 56.658 0.3 1 54 17 17 VAL CB C 32.361 0.3 1 55 17 17 VAL N N 120.864 0.3 1 56 18 18 ARG H H 7.841 0.020 1 57 18 18 ARG CA C 51.195 0.3 1 58 18 18 ARG CB C 28.695 0.3 1 59 18 18 ARG N N 126.882 0.3 1 60 19 19 CYS H H 8.629 0.020 1 61 19 19 CYS CA C 57.089 0.3 1 62 19 19 CYS CB C 29.270 0.3 1 63 19 19 CYS N N 127.838 0.3 1 64 20 20 ASP H H 9.441 0.020 1 65 20 20 ASP CA C 54.717 0.3 1 66 20 20 ASP CB C 39.478 0.3 1 67 20 20 ASP N N 128.591 0.3 1 68 21 21 ASP H H 9.402 0.020 1 69 21 21 ASP CA C 53.064 0.3 1 70 21 21 ASP CB C 39.334 0.3 1 71 21 21 ASP N N 121.415 0.3 1 72 22 22 CYS H H 9.036 0.020 1 73 22 22 CYS CA C 56.227 0.3 1 74 22 22 CYS CB C 29.414 0.3 1 75 22 22 CYS N N 121.689 0.3 1 76 23 23 PHE H H 7.585 0.020 1 77 23 23 PHE CA C 56.442 0.3 1 78 23 23 PHE CB C 33.440 0.3 1 79 23 23 PHE N N 118.536 0.3 1 80 24 24 LYS H H 8.581 0.020 1 81 24 24 LYS CA C 55.148 0.3 1 82 24 24 LYS CB C 31.283 0.3 1 83 24 24 LYS N N 121.279 0.3 1 84 25 25 TRP H H 8.503 0.020 1 85 25 25 TRP CA C 53.904 0.3 1 86 25 25 TRP CB C 28.551 0.3 1 87 25 25 TRP N N 120.733 0.3 1 88 26 26 ARG H H 9.971 0.020 1 89 26 26 ARG CA C 50.332 0.3 1 90 26 26 ARG CB C 30.277 0.3 1 91 26 26 ARG N N 121.959 0.3 1 92 27 27 ARG H H 8.137 0.020 1 93 27 27 ARG CA C 53.064 0.3 1 94 27 27 ARG CB C 27.833 0.3 1 95 27 27 ARG N N 126.402 0.3 1 96 28 28 ILE H H 8.557 0.020 1 97 28 28 ILE CA C 54.717 0.3 1 98 28 28 ILE CB C 37.537 0.3 1 99 28 28 ILE N N 124.696 0.3 1 100 30 30 ALA H H 8.404 0.020 1 101 30 30 ALA CA C 51.770 0.3 1 102 30 30 ALA CB C 15.253 0.3 1 103 30 30 ALA N N 126.056 0.3 1 104 31 31 SER H H 8.231 0.020 1 105 31 31 SER CA C 57.233 0.3 1 106 31 31 SER CB C 59.964 0.3 1 107 31 31 SER N N 110.949 0.3 1 108 32 32 VAL H H 7.483 0.020 1 109 32 32 VAL CA C 60.036 0.3 1 110 32 32 VAL CB C 29.558 0.3 1 111 32 32 VAL N N 119.088 0.3 1 112 33 33 VAL H H 7.350 0.020 1 113 33 33 VAL CA C 62.552 0.3 1 114 33 33 VAL CB C 29.055 0.3 1 115 33 33 VAL N N 121.755 0.3 1 116 34 34 GLY H H 8.317 0.020 1 117 34 34 GLY CA C 43.144 0.3 1 118 34 34 GLY N N 108.420 0.3 1 119 35 35 SER H H 7.813 0.020 1 120 35 35 SER CA C 56.083 0.3 1 121 35 35 SER CB C 61.330 0.3 1 122 35 35 SER N N 114.641 0.3 1 123 36 36 ILE H H 7.595 0.020 1 124 36 36 ILE CA C 58.814 0.3 1 125 36 36 ILE CB C 35.380 0.3 1 126 36 36 ILE N N 123.323 0.3 1 127 37 37 ASP H H 8.419 0.020 1 128 37 37 ASP CA C 51.698 0.3 1 129 37 37 ASP CB C 38.687 0.3 1 130 37 37 ASP N N 125.650 0.3 1 131 38 38 GLU H H 8.560 0.020 1 132 38 38 GLU CA C 55.431 0.3 1 133 38 38 GLU CB C 26.989 0.3 1 134 38 38 GLU N N 122.162 0.3 1 135 39 39 SER H H 8.301 0.020 1 136 39 39 SER CA C 56.011 0.3 1 137 39 39 SER CB C 61.115 0.3 1 138 39 39 SER N N 114.367 0.3 1 139 40 40 SER H H 8.637 0.020 1 140 40 40 SER CA C 55.723 0.3 1 141 40 40 SER CB C 61.402 0.3 1 142 40 40 SER N N 122.302 0.3 1 143 41 41 ARG H H 8.250 0.020 1 144 41 41 ARG CA C 53.136 0.3 1 145 41 41 ARG CB C 28.695 0.3 1 146 41 41 ARG N N 123.202 0.3 1 147 42 42 TRP H H 9.152 0.020 1 148 42 42 TRP CA C 57.017 0.3 1 149 42 42 TRP CB C 29.127 0.3 1 150 42 42 TRP N N 129.615 0.3 1 151 43 43 ILE H H 7.022 0.020 1 152 43 43 ILE CA C 55.292 0.3 1 153 43 43 ILE CB C 40.053 0.3 1 154 43 43 ILE N N 119.426 0.3 1 155 44 44 CYS H H 8.482 0.020 1 156 44 44 CYS CA C 64.062 0.3 1 157 44 44 CYS CB C 26.754 0.3 1 158 44 44 CYS N N 121.125 0.3 1 159 45 45 MET H H 7.606 0.020 1 160 45 45 MET CA C 55.076 0.3 1 161 45 45 MET CB C 29.558 0.3 1 162 45 45 MET N N 113.203 0.3 1 163 46 46 ASN H H 8.126 0.020 1 164 46 46 ASN CA C 51.051 0.3 1 165 46 46 ASN CB C 35.668 0.3 1 166 46 46 ASN N N 116.498 0.3 1 167 47 47 ASN H H 8.029 0.020 1 168 47 47 ASN CA C 51.051 0.3 1 169 47 47 ASN CB C 36.027 0.3 1 170 47 47 ASN N N 121.755 0.3 1 171 48 48 SER H H 8.704 0.020 1 172 48 48 SER CA C 57.520 0.3 1 173 48 48 SER CB C 60.539 0.3 1 174 48 48 SER N N 121.826 0.3 1 175 49 49 ASP H H 7.673 0.020 1 176 49 49 ASP CA C 49.901 0.3 1 177 49 49 ASP CB C 37.537 0.3 1 178 49 49 ASP N N 121.208 0.3 1 179 50 50 LYS H H 8.403 0.020 1 180 50 50 LYS CA C 54.429 0.3 1 181 50 50 LYS CB C 28.048 0.3 1 182 50 50 LYS N N 123.941 0.3 1 183 51 51 ARG H H 7.958 0.020 1 184 51 51 ARG CA C 55.436 0.3 1 185 51 51 ARG CB C 27.905 0.3 1 186 51 51 ARG N N 118.402 0.3 1 187 52 52 PHE H H 7.458 0.020 1 188 52 52 PHE CA C 52.920 0.3 1 189 52 52 PHE CB C 38.184 0.3 1 190 52 52 PHE N N 114.228 0.3 1 191 53 53 ALA H H 7.245 0.020 1 192 53 53 ALA CA C 48.535 0.3 1 193 53 53 ALA CB C 16.763 0.3 1 194 53 53 ALA N N 122.845 0.3 1 195 54 54 ASP H H 7.154 0.020 1 196 54 54 ASP CA C 51.267 0.3 1 197 54 54 ASP CB C 42.425 0.3 1 198 54 54 ASP N N 114.001 0.3 1 199 55 55 CYS H H 8.449 0.020 1 200 55 55 CYS CA C 60.036 0.3 1 201 55 55 CYS CB C 27.976 0.3 1 202 55 55 CYS N N 124.875 0.3 1 203 56 56 SER H H 8.777 0.020 1 204 56 56 SER CA C 56.945 0.3 1 205 56 56 SER CB C 60.755 0.3 1 206 56 56 SER N N 113.000 0.3 1 207 57 57 LYS H H 7.569 0.020 1 208 57 57 LYS CA C 51.626 0.3 1 209 57 57 LYS CB C 28.695 0.3 1 210 57 57 LYS N N 122.786 0.3 1 211 59 59 GLN H H 8.984 0.020 1 212 59 59 GLN CA C 55.076 0.3 1 213 59 59 GLN CB C 28.695 0.3 1 214 59 59 GLN N N 123.733 0.3 1 215 60 60 GLU H H 9.464 0.020 1 216 60 60 GLU CA C 56.586 0.3 1 217 60 60 GLU CB C 28.767 0.3 1 218 60 60 GLU N N 127.383 0.3 1 219 61 61 MET H H 7.037 0.020 1 220 61 61 MET CA C 50.979 0.3 1 221 61 61 MET CB C 34.158 0.3 1 222 61 61 MET N N 112.323 0.3 1 223 62 62 SER H H 8.785 0.020 1 224 62 62 SER CA C 55.148 0.3 1 225 62 62 SER CB C 62.337 0.3 1 226 62 62 SER N N 116.560 0.3 1 227 63 63 ASN H H 9.012 0.020 1 228 63 63 ASN CA C 53.351 0.3 1 229 63 63 ASN CB C 34.662 0.3 1 230 63 63 ASN N N 119.635 0.3 1 231 64 64 GLU H H 8.746 0.020 1 232 64 64 GLU CA C 57.592 0.3 1 233 64 64 GLU CB C 25.964 0.3 1 234 64 64 GLU N N 118.606 0.3 1 235 65 65 GLU H H 7.569 0.020 1 236 65 65 GLU CA C 56.083 0.3 1 237 65 65 GLU CB C 27.401 0.3 1 238 65 65 GLU N N 120.726 0.3 1 239 66 66 ILE H H 7.888 0.020 1 240 66 66 ILE CA C 62.193 0.3 1 241 66 66 ILE CB C 34.446 0.3 1 242 66 66 ILE N N 122.642 0.3 1 243 67 67 ASN H H 7.771 0.020 1 244 67 67 ASN CA C 52.776 0.3 1 245 67 67 ASN CB C 34.374 0.3 1 246 67 67 ASN N N 117.993 0.3 1 247 68 68 GLU H H 7.515 0.020 1 248 68 68 GLU CA C 56.083 0.3 1 249 68 68 GLU CB C 26.467 0.3 1 250 68 68 GLU N N 119.109 0.3 1 251 69 69 GLU H H 7.731 0.020 1 252 69 69 GLU CA C 56.442 0.3 1 253 69 69 GLU CB C 26.539 0.3 1 254 69 69 GLU N N 121.208 0.3 1 255 70 70 LEU H H 7.896 0.020 1 256 70 70 LEU CA C 52.632 0.3 1 257 70 70 LEU CB C 40.053 0.3 1 258 70 70 LEU N N 116.551 0.3 1 259 71 71 GLY H H 7.712 0.020 1 260 71 71 GLY CA C 43.216 0.3 1 261 71 71 GLY N N 108.216 0.3 1 262 72 72 ILE H H 7.739 0.020 1 263 72 72 ILE CA C 58.239 0.3 1 264 72 72 ILE CB C 36.027 0.3 1 265 72 72 ILE N N 118.811 0.3 1 266 73 73 GLY H H 8.395 0.020 1 267 73 73 GLY CA C 42.281 0.3 1 268 73 73 GLY N N 112.760 0.3 1 269 74 74 GLN H H 8.161 0.020 1 270 74 74 GLN CA C 53.136 0.3 1 271 74 74 GLN CB C 26.611 0.3 1 272 74 74 GLN N N 119.388 0.3 1 273 75 75 ASP H H 8.395 0.020 1 274 75 75 ASP CA C 51.698 0.3 1 275 75 75 ASP CB C 38.256 0.3 1 276 75 75 ASP N N 121.074 0.3 1 277 76 76 GLU H H 8.209 0.020 1 278 76 76 GLU CA C 53.854 0.3 1 279 76 76 GLU CB C 27.401 0.3 1 280 76 76 GLU N N 121.273 0.3 1 281 77 77 ALA H H 8.209 0.020 1 282 77 77 ALA CA C 49.829 0.3 1 283 77 77 ALA CB C 16.547 0.3 1 284 77 77 ALA N N 124.685 0.3 1 285 78 78 ASP H H 8.184 0.020 1 286 78 78 ASP CA C 51.554 0.3 1 287 78 78 ASP CB C 38.184 0.3 1 288 78 78 ASP N N 119.771 0.3 1 289 79 79 ALA H H 7.660 0.020 1 290 79 79 ALA CA C 51.051 0.3 1 291 79 79 ALA CB C 17.481 0.3 1 292 79 79 ALA N N 129.213 0.3 1 stop_ save_