data_27775 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; HLS3_Olduvai ; _BMRB_accession_number 27775 _BMRB_flat_file_name bmr27775.str _Entry_type original _Submission_date 2019-02-04 _Accession_date 2019-02-04 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone assignment of HLS3, a disordered domain in human olduvai protein' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Henen Morkos . . 2 Schmitt Lauren . . 3 Issaian Aaron . . 4 Vogeli Beat . . 5 Hansen Kirk . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 64 "13C chemical shifts" 188 "15N chemical shifts" 64 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-09-23 update BMRB 'update entry citation' 2019-07-02 original author 'original release' stop_ _Original_release_date 2019-02-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution NMR backbone assignment reveals interaction-free tumbling of human lineage-specific Olduvai protein domains ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31264103 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Issaian Aaron . . 2 Schmitt Lauren . . 3 Born Alexandra . . 4 Nichols Parker J. . 5 Sikela James . . 6 Hansen Kirk . . 7 Vogeli Beat . . 8 Henen Morkos A. . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 13 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 339 _Page_last 343 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name HLS3 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label HLS3 $HLS3 stop_ _System_molecular_weight 10553.3948 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HLS3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HLS3 _Molecular_mass 10553.3948 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 94 _Mol_residue_sequence ; SAAAASSASLEVDRIKKDQE EEEDQGPPCPRLSRELLEVV EPEVLQDSLDRCYSTPSSCL EQPDSCQPYGSSFYALEEKH VGFSLDLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 SER 2 ALA 3 ALA 4 ALA 5 ALA 6 SER 7 SER 8 ALA 9 SER 10 LEU 11 GLU 12 VAL 13 ASP 14 ARG 15 ILE 16 LYS 17 LYS 18 ASP 19 GLN 20 GLU 21 GLU 22 GLU 23 GLU 24 ASP 25 GLN 26 GLY 27 PRO 28 PRO 29 CYS 30 PRO 31 ARG 32 LEU 33 SER 34 ARG 35 GLU 36 LEU 37 LEU 38 GLU 39 VAL 40 VAL 41 GLU 42 PRO 43 GLU 44 VAL 45 LEU 46 GLN 47 ASP 48 SER 49 LEU 50 ASP 51 ARG 52 CYS 53 TYR 54 SER 55 THR 56 PRO 57 SER 58 SER 59 CYS 60 LEU 61 GLU 62 GLN 63 PRO 64 ASP 65 SER 66 CYS 67 GLN 68 PRO 69 TYR 70 GLY 71 SER 72 SER 73 PHE 74 TYR 75 ALA 76 LEU 77 GLU 78 GLU 79 LYS 80 HIS 81 VAL 82 GLY 83 PHE 84 SER 85 LEU 86 ASP 87 LEU 88 GLU 89 HIS 90 HIS 91 HIS 92 HIS 93 HIS 94 HIS 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 $HLS3 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 $HLS3 'recombinant technology' 'Escherichia coli' Escherichia coli Bl21 pGEX-6P 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 $HLS3 140 uM '[U-100% 13C; U-100% 15N]' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version 2.4 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' processing stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC/HMQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC/HMQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_Expt_3_(H[N[co[{CA|ca[C]}]]])_3 _Saveframe_category NMR_applied_experiment _Experiment_name 'Expt_3 (H[N[co[{CA|ca[C]}]]])' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _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' 50 . mM pH 6.5 . 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 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CcpNmr_Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC/HMQC' '3D HNCACB' 'Expt_3 (H[N[co[{CA|ca[C]}]]])' '3D HNCO' '3D HN(CA)CO' 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 HLS3 _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 8 8 ALA H H 8.281 0.0 1 2 8 8 ALA C C 178.798 . 1 3 8 8 ALA CA C 52.784 . 1 4 8 8 ALA CB C 19.180 . 1 5 8 8 ALA N N 125.721 0.002 1 6 9 9 SER H H 8.189 0.0 1 7 9 9 SER C C 175.512 . 1 8 9 9 SER CA C 58.508 . 1 9 9 9 SER CB C 63.696 . 1 10 9 9 SER N N 114.582 0.036 1 11 10 10 LEU H H 8.189 0.0 1 12 10 10 LEU C C 178.063 . 1 13 10 10 LEU CA C 55.370 . 1 14 10 10 LEU CB C 42.381 . 1 15 10 10 LEU N N 123.801 0.001 1 16 11 11 GLU H H 8.295 0.0 1 17 11 11 GLU C C 177.702 . 1 18 11 11 GLU CA C 56.881 . 1 19 11 11 GLU CB C 30.070 . 1 20 11 11 GLU N N 121.511 0.042 1 21 12 12 VAL H H 7.998 0.0 1 22 12 12 VAL C C 176.953 . 1 23 12 12 VAL CA C 62.874 . 1 24 12 12 VAL CB C 32.800 . 1 25 12 12 VAL N N 120.017 0.069 1 26 13 13 ASP H H 8.280 0.0 1 27 13 13 ASP C C 177.152 . 1 28 13 13 ASP CA C 54.688 . 1 29 13 13 ASP CB C 41.020 . 1 30 13 13 ASP N N 122.616 0.031 1 31 14 14 ARG H H 8.082 0.0 1 32 14 14 ARG C C 177.243 . 1 33 14 14 ARG CA C 56.385 . 1 34 14 14 ARG CB C 30.650 . 1 35 14 14 ARG N N 121.106 0.086 1 36 15 15 ILE H H 8.059 0.0 1 37 15 15 ILE C C 176.278 . 1 38 15 15 ILE CA C 61.520 . 1 39 15 15 ILE CB C 38.417 . 1 40 15 15 ILE N N 121.622 0.08 1 41 16 16 LYS H H 8.279 0.0 1 42 16 16 LYS C C 177.409 . 1 43 16 16 LYS CA C 56.475 . 1 44 16 16 LYS CB C 32.975 . 1 45 16 16 LYS N N 125.402 0.038 1 46 17 17 LYS H H 8.349 0.0 1 47 17 17 LYS C C 177.392 . 1 48 17 17 LYS CA C 56.480 . 1 49 17 17 LYS CB C 33.091 . 1 50 17 17 LYS N N 123.384 0.121 1 51 18 18 ASP H H 8.386 0.002 1 52 18 18 ASP C C 177.161 . 1 53 18 18 ASP CA C 54.956 . 1 54 18 18 ASP CB C 41.016 . 1 55 18 18 ASP N N 121.200 0.048 1 56 19 19 GLN H H 8.219 0.0 1 57 19 19 GLN C C 176.897 . 1 58 19 19 GLN CA C 56.038 . 1 59 19 19 GLN CB C 29.542 . 1 60 19 19 GLN N N 119.575 0.005 1 61 20 20 GLU H H 8.412 0.001 1 62 20 20 GLU C C 177.519 . 1 63 20 20 GLU CA C 56.049 . 1 64 20 20 GLU CB C 30.411 . 1 65 20 20 GLU N N 121.659 0.006 1 66 24 24 ASP H H 8.442 0.0 1 67 24 24 ASP C C 177.189 . 1 68 24 24 ASP CA C 54.423 . 1 69 24 24 ASP CB C 41.275 . 1 70 24 24 ASP N N 121.886 0.001 1 71 25 25 GLN H H 8.409 0.001 1 72 25 25 GLN C C 177.193 . 1 73 25 25 GLN CA C 55.780 . 1 74 25 25 GLN CB C 29.537 . 1 75 25 25 GLN N N 121.136 0.045 1 76 26 26 GLY H H 8.301 0.003 1 77 26 26 GLY C C 172.070 . 1 78 26 26 GLY CA C 44.501 . 1 79 26 26 GLY N N 109.847 0.027 1 80 32 32 LEU H H 8.262 0.005 1 81 32 32 LEU C C 178.184 . 1 82 32 32 LEU CA C 55.159 . 1 83 32 32 LEU CB C 42.516 . 1 84 32 32 LEU N N 123.378 0.043 1 85 33 33 SER H H 8.226 0.001 1 86 33 33 SER C C 175.701 . 1 87 33 33 SER CA C 58.392 . 1 88 33 33 SER CB C 63.715 . 1 89 33 33 SER N N 116.538 0.045 1 90 34 34 ARG H H 8.386 0.0 1 91 34 34 ARG C C 177.409 . 1 92 34 34 ARG CA C 56.866 . 1 93 34 34 ARG CB C 30.625 . 1 94 34 34 ARG N N 122.931 0.099 1 95 35 35 GLU H H 8.399 0.0 1 96 35 35 GLU C C 177.407 . 1 97 35 35 GLU CA C 56.591 . 1 98 35 35 GLU CB C 30.616 . 1 99 35 35 GLU N N 122.029 0.034 1 100 38 38 GLU H H 8.230 0.023 1 101 38 38 GLU C C 176.897 0.013 1 102 38 38 GLU CA C 56.403 0.07 1 103 38 38 GLU CB C 30.357 0.009 1 104 38 38 GLU N N 121.245 0.168 1 105 39 39 VAL H H 8.104 0.0 1 106 39 39 VAL C C 176.696 . 1 107 39 39 VAL CA C 62.259 . 1 108 39 39 VAL CB C 32.816 . 1 109 39 39 VAL N N 122.014 0.006 1 110 40 40 VAL H H 8.215 0.003 1 111 40 40 VAL C C 176.614 . 1 112 40 40 VAL CA C 61.941 . 1 113 40 40 VAL CB C 32.871 . 1 114 40 40 VAL N N 124.919 0.055 1 115 41 41 GLU H H 8.486 0.0 1 116 41 41 GLU C C 175.279 . 1 117 41 41 GLU CA C 54.305 . 1 118 41 41 GLU CB C 29.801 . 1 119 41 41 GLU N N 126.545 0.038 1 120 43 43 GLU H H 8.509 0.0 1 121 43 43 GLU C C 177.412 . 1 122 43 43 GLU CA C 56.874 . 1 123 43 43 GLU CB C 30.346 . 1 124 43 43 GLU N N 121.062 0.068 1 125 44 44 VAL H H 8.143 0.0 1 126 44 44 VAL C C 176.957 . 1 127 44 44 VAL CA C 62.344 . 1 128 44 44 VAL CB C 32.788 . 1 129 44 44 VAL N N 121.815 0.006 1 130 45 45 LEU H H 8.295 0.0 1 131 45 45 LEU C C 178.279 . 1 132 45 45 LEU CA C 55.191 . 1 133 45 45 LEU CB C 42.136 . 1 134 45 45 LEU N N 126.387 0.11 1 135 46 46 GLN H H 8.277 0.0 1 136 46 46 GLN C C 177.289 . 1 137 46 46 GLN CA C 56.609 . 1 138 46 46 GLN CB C 30.341 . 1 139 46 46 GLN N N 121.043 0.013 1 140 47 47 ASP H H 8.411 0.002 1 141 47 47 ASP C C 177.278 . 1 142 47 47 ASP CA C 54.535 . 1 143 47 47 ASP CB C 41.271 . 1 144 47 47 ASP N N 121.248 0.107 1 145 48 48 SER H H 8.182 0.0 1 146 48 48 SER C C 175.452 . 1 147 48 48 SER CA C 58.624 . 1 148 48 48 SER CB C 63.722 . 1 149 48 48 SER N N 115.542 0.014 1 150 49 49 LEU H H 8.240 0.003 1 151 49 49 LEU C C 178.252 . 1 152 49 49 LEU CA C 55.754 . 1 153 49 49 LEU CB C 42.107 . 1 154 49 49 LEU N N 123.551 0.056 1 155 50 50 ASP H H 8.227 0.0 1 156 50 50 ASP C C 177.278 . 1 157 50 50 ASP CA C 54.691 . 1 158 50 50 ASP CB C 41.017 . 1 159 50 50 ASP N N 120.215 0.056 1 160 51 51 ARG H H 8.074 0.0 1 161 51 51 ARG C C 177.017 . 1 162 51 51 ARG CA C 56.313 . 1 163 51 51 ARG CB C 30.616 . 1 164 51 51 ARG N N 120.700 0.001 1 165 52 52 CYS H H 8.264 0.001 1 166 52 52 CYS C C 175.290 . 1 167 52 52 CYS CA C 58.793 . 1 168 52 52 CYS CB C 27.876 . 1 169 52 52 CYS N N 119.670 0.084 1 170 53 53 TYR H H 8.204 0.0 1 171 53 53 TYR C C 176.506 . 1 172 53 53 TYR CA C 57.920 . 1 173 53 53 TYR CB C 38.832 . 1 174 53 53 TYR N N 122.518 0.116 1 175 54 54 SER H H 8.124 0.0 1 176 54 54 SER C C 174.772 . 1 177 54 54 SER CA C 57.923 . 1 178 54 54 SER CB C 63.980 . 1 179 54 54 SER N N 117.346 0.066 1 180 55 55 THR H H 8.161 0.001 1 181 55 55 THR C C 173.851 . 1 182 55 55 THR CA C 59.902 . 1 183 55 55 THR CB C 69.733 . 1 184 55 55 THR N N 118.294 0.076 1 185 57 57 SER H H 8.437 0.001 1 186 57 57 SER C C 175.754 . 1 187 57 57 SER CA C 58.711 . 1 188 57 57 SER CB C 63.814 . 1 189 57 57 SER N N 116.014 0.058 1 190 58 58 SER H H 8.339 0.0 1 191 58 58 SER C C 175.111 . 1 192 58 58 SER CA C 58.710 . 1 193 58 58 SER CB C 63.739 . 1 194 58 58 SER N N 117.482 0.059 1 195 59 59 CYS H H 8.304 0.0 1 196 59 59 CYS C C 175.327 . 1 197 59 59 CYS CA C 58.513 . 1 198 59 59 CYS CB C 27.914 . 1 199 59 59 CYS N N 120.672 0.019 1 200 60 60 LEU H H 8.191 0.003 1 201 60 60 LEU C C 178.064 . 1 202 60 60 LEU CA C 55.401 . 1 203 60 60 LEU CB C 42.381 . 1 204 60 60 LEU N N 124.073 0.045 1 205 61 61 GLU H H 8.250 0.0 1 206 61 61 GLU C C 176.887 . 1 207 61 61 GLU CA C 56.514 . 1 208 61 61 GLU CB C 30.349 . 1 209 61 61 GLU N N 121.322 0.103 1 210 62 62 GLN H H 8.319 0.0 1 211 62 62 GLN C C 174.910 . 1 212 62 62 GLN CA C 53.514 . 1 213 62 62 GLN CB C 29.163 . 1 214 62 62 GLN N N 121.907 0.031 1 215 64 64 ASP H H 8.438 0.0 1 216 64 64 ASP C C 177.393 . 1 217 64 64 ASP CA C 54.441 . 1 218 64 64 ASP CB C 41.065 . 1 219 64 64 ASP N N 120.009 0.105 1 220 65 65 SER H H 8.182 0.0 1 221 65 65 SER CA C 58.525 . 1 222 65 65 SER CB C 63.724 . 1 223 65 65 SER N N 115.961 0.151 1 224 66 66 CYS H H 8.341 0.0 1 225 66 66 CYS C C 175.144 . 1 226 66 66 CYS CA C 58.526 . 1 227 66 66 CYS CB C 27.887 . 1 228 66 66 CYS N N 120.351 0.001 1 229 67 67 GLN H H 8.265 0.0 1 230 67 67 GLN C C 174.934 . 1 231 67 67 GLN CA C 53.800 . 1 232 67 67 GLN CB C 28.836 . 1 233 67 67 GLN N N 122.792 0.008 1 234 69 69 TYR H H 8.155 0.001 1 235 69 69 TYR C C 177.357 . 1 236 69 69 TYR CA C 58.019 . 1 237 69 69 TYR CB C 38.534 . 1 238 69 69 TYR N N 120.114 0.074 1 239 70 70 GLY H H 8.214 0.0 1 240 70 70 GLY C C 175.119 . 1 241 70 70 GLY CA C 45.350 . 1 242 70 70 GLY N N 110.735 0.048 1 243 71 71 SER H H 8.166 0.003 1 244 71 71 SER C C 175.818 . 1 245 71 71 SER CA C 58.627 . 1 246 71 71 SER CB C 63.718 . 1 247 71 71 SER N N 115.438 0.034 1 248 72 72 SER H H 8.316 0.001 1 249 72 72 SER C C 175.395 . 1 250 72 72 SER CA C 58.522 . 1 251 72 72 SER CB C 63.712 . 1 252 72 72 SER N N 117.480 0.005 1 253 73 73 PHE H H 8.067 0.0 1 254 73 73 PHE C C 177.241 . 1 255 73 73 PHE CA C 58.429 . 1 256 73 73 PHE CB C 39.620 . 1 257 73 73 PHE N N 121.775 0.022 1 258 74 74 TYR H H 7.845 0.0 1 259 74 74 TYR C C 176.040 . 1 260 74 74 TYR CA C 57.933 . 1 261 74 74 TYR CB C 38.825 . 1 262 74 74 TYR N N 120.680 0.039 1 263 75 75 ALA H H 7.980 0.001 1 264 75 75 ALA C C 178.253 . 1 265 75 75 ALA CA C 52.487 . 1 266 75 75 ALA CB C 19.296 . 1 267 75 75 ALA N N 125.016 0.129 1 268 76 76 LEU H H 7.967 0.0 1 269 76 76 LEU C C 178.314 . 1 270 76 76 LEU CA C 55.489 . 1 271 76 76 LEU CB C 42.392 . 1 272 76 76 LEU N N 120.910 0.002 1 273 77 77 GLU H H 8.296 0.0 1 274 77 77 GLU C C 177.690 . 1 275 77 77 GLU CA C 55.356 . 1 276 77 77 GLU CB C 30.070 . 1 277 77 77 GLU N N 121.652 0.002 1 278 81 81 VAL H H 8.105 0.0 1 279 81 81 VAL C C 177.302 . 1 280 81 81 VAL CA C 62.345 . 1 281 81 81 VAL CB C 32.815 . 1 282 81 81 VAL N N 121.810 0.003 1 283 82 82 GLY H H 8.425 0.003 1 284 82 82 GLY C C 174.596 . 1 285 82 82 GLY CA C 45.155 . 1 286 82 82 GLY N N 112.134 0.056 1 287 83 83 PHE H H 8.044 0.0 1 288 83 83 PHE C C 176.543 . 1 289 83 83 PHE CA C 57.707 . 1 290 83 83 PHE CB C 39.904 . 1 291 83 83 PHE N N 119.966 0.022 1 292 84 84 SER H H 8.196 0.0 1 293 84 84 SER C C 175.120 . 1 294 84 84 SER CA C 57.980 . 1 295 84 84 SER CB C 63.960 . 1 296 84 84 SER N N 117.409 0.0 1 297 85 85 LEU H H 8.241 0.0 1 298 85 85 LEU C C 177.806 . 1 299 85 85 LEU CA C 55.474 . 1 300 85 85 LEU CB C 42.372 . 1 301 85 85 LEU N N 124.233 0.046 1 302 86 86 ASP H H 8.272 0.0 1 303 86 86 ASP C C 177.161 . 1 304 86 86 ASP CA C 54.314 . 1 305 86 86 ASP CB C 41.014 . 1 306 86 86 ASP N N 120.691 0.033 1 307 87 87 LEU H H 8.084 0.0 1 308 87 87 LEU C C 178.585 . 1 309 87 87 LEU CA C 55.470 . 1 310 87 87 LEU CB C 42.112 . 1 311 87 87 LEU N N 122.304 0.065 1 312 88 88 GLU H H 8.227 0.0 1 313 88 88 GLU C C 177.273 . 1 314 88 88 GLU CA C 56.877 . 1 315 88 88 GLU CB C 30.066 . 1 316 88 88 GLU N N 119.873 0.026 1 stop_ save_