data_25413 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Lipid-Bilayer-Bound Conformation of an Integral Membrane beta-Barrel Protein by Multidimensional MAS NMR ; _BMRB_accession_number 25413 _BMRB_flat_file_name bmr25413.str _Entry_type original _Submission_date 2015-01-05 _Accession_date 2015-01-05 _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 Eddy Matthew T. . 2 Su Yongchao . . 3 Silvers Robert . . 4 Andreas Loren . . 5 Clark Lindsay . . 6 Wagner Gerhard . . 7 Pintacuda Guido . . 8 Emsley Lyndon . . 9 Griffin Robert G. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "13C chemical shifts" 250 "15N chemical shifts" 77 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-11-16 original BMRB . stop_ _Original_release_date 2015-01-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Lipid bilayer-bound conformation of an integral membrane beta barrel protein by multidimensional MAS NMR ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25634301 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Eddy Matthew T. . 2 Su Yongchao . . 3 Silvers Robert . . 4 Andreas Loren . . 5 Clark Lindsay . . 6 Wagner Gerhard . . 7 Pintacuda Guido . . 8 Emsley Lyndon . . 9 Griffin Robert . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of biomolecular NMR' _Journal_volume 61 _Journal_issue 3-4 _Journal_ISSN 1573-5001 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 299 _Page_last 310 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name hVDAC1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label hVDAC1 $hVDAC1 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_hVDAC1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common hVDAC1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 283 _Mol_residue_sequence ; MAVPPTYADLGKSARDVFTK GYGFGLIKLDLKTKSENGLE FTSSGSANTETTKVTGSLET KYRWTEYGLTFTEKWNTDNT LGTEITVEDQLARGLKLTFD SSFSPNTGKKNAKIKTGYKR EHINLGCDMDFDIAGPSIRG ALVLGYQGWLAGYQMNFETA KSRVTQSNFAVGYKTDEFQL HTNVNDGTEFGGSITQKVNK KLETAVNLAWTAGNSNTRFG IAAKYQIDPDACFSAKVNNS SLIGLGYTQTLKPGIKLTLS ALLDGKNVNAGGHKLGLGLE FQA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ALA 3 3 VAL 4 4 PRO 5 5 PRO 6 6 THR 7 7 TYR 8 8 ALA 9 9 ASP 10 10 LEU 11 11 GLY 12 12 LYS 13 13 SER 14 14 ALA 15 15 ARG 16 16 ASP 17 17 VAL 18 18 PHE 19 19 THR 20 20 LYS 21 21 GLY 22 22 TYR 23 23 GLY 24 24 PHE 25 25 GLY 26 26 LEU 27 27 ILE 28 28 LYS 29 29 LEU 30 30 ASP 31 31 LEU 32 32 LYS 33 33 THR 34 34 LYS 35 35 SER 36 36 GLU 37 37 ASN 38 38 GLY 39 39 LEU 40 40 GLU 41 41 PHE 42 42 THR 43 43 SER 44 44 SER 45 45 GLY 46 46 SER 47 47 ALA 48 48 ASN 49 49 THR 50 50 GLU 51 51 THR 52 52 THR 53 53 LYS 54 54 VAL 55 55 THR 56 56 GLY 57 57 SER 58 58 LEU 59 59 GLU 60 60 THR 61 61 LYS 62 62 TYR 63 63 ARG 64 64 TRP 65 65 THR 66 66 GLU 67 67 TYR 68 68 GLY 69 69 LEU 70 70 THR 71 71 PHE 72 72 THR 73 73 GLU 74 74 LYS 75 75 TRP 76 76 ASN 77 77 THR 78 78 ASP 79 79 ASN 80 80 THR 81 81 LEU 82 82 GLY 83 83 THR 84 84 GLU 85 85 ILE 86 86 THR 87 87 VAL 88 88 GLU 89 89 ASP 90 90 GLN 91 91 LEU 92 92 ALA 93 93 ARG 94 94 GLY 95 95 LEU 96 96 LYS 97 97 LEU 98 98 THR 99 99 PHE 100 100 ASP 101 101 SER 102 102 SER 103 103 PHE 104 104 SER 105 105 PRO 106 106 ASN 107 107 THR 108 108 GLY 109 109 LYS 110 110 LYS 111 111 ASN 112 112 ALA 113 113 LYS 114 114 ILE 115 115 LYS 116 116 THR 117 117 GLY 118 118 TYR 119 119 LYS 120 120 ARG 121 121 GLU 122 122 HIS 123 123 ILE 124 124 ASN 125 125 LEU 126 126 GLY 127 127 CYS 128 128 ASP 129 129 MET 130 130 ASP 131 131 PHE 132 132 ASP 133 133 ILE 134 134 ALA 135 135 GLY 136 136 PRO 137 137 SER 138 138 ILE 139 139 ARG 140 140 GLY 141 141 ALA 142 142 LEU 143 143 VAL 144 144 LEU 145 145 GLY 146 146 TYR 147 147 GLN 148 148 GLY 149 149 TRP 150 150 LEU 151 151 ALA 152 152 GLY 153 153 TYR 154 154 GLN 155 155 MET 156 156 ASN 157 157 PHE 158 158 GLU 159 159 THR 160 160 ALA 161 161 LYS 162 162 SER 163 163 ARG 164 164 VAL 165 165 THR 166 166 GLN 167 167 SER 168 168 ASN 169 169 PHE 170 170 ALA 171 171 VAL 172 172 GLY 173 173 TYR 174 174 LYS 175 175 THR 176 176 ASP 177 177 GLU 178 178 PHE 179 179 GLN 180 180 LEU 181 181 HIS 182 182 THR 183 183 ASN 184 184 VAL 185 185 ASN 186 186 ASP 187 187 GLY 188 188 THR 189 189 GLU 190 190 PHE 191 191 GLY 192 192 GLY 193 193 SER 194 194 ILE 195 195 THR 196 196 GLN 197 197 LYS 198 198 VAL 199 199 ASN 200 200 LYS 201 201 LYS 202 202 LEU 203 203 GLU 204 204 THR 205 205 ALA 206 206 VAL 207 207 ASN 208 208 LEU 209 209 ALA 210 210 TRP 211 211 THR 212 212 ALA 213 213 GLY 214 214 ASN 215 215 SER 216 216 ASN 217 217 THR 218 218 ARG 219 219 PHE 220 220 GLY 221 221 ILE 222 222 ALA 223 223 ALA 224 224 LYS 225 225 TYR 226 226 GLN 227 227 ILE 228 228 ASP 229 229 PRO 230 230 ASP 231 231 ALA 232 232 CYS 233 233 PHE 234 234 SER 235 235 ALA 236 236 LYS 237 237 VAL 238 238 ASN 239 239 ASN 240 240 SER 241 241 SER 242 242 LEU 243 243 ILE 244 244 GLY 245 245 LEU 246 246 GLY 247 247 TYR 248 248 THR 249 249 GLN 250 250 THR 251 251 LEU 252 252 LYS 253 253 PRO 254 254 GLY 255 255 ILE 256 256 LYS 257 257 LEU 258 258 THR 259 259 LEU 260 260 SER 261 261 ALA 262 262 LEU 263 263 LEU 264 264 ASP 265 265 GLY 266 266 LYS 267 267 ASN 268 268 VAL 269 269 ASN 270 270 ALA 271 271 GLY 272 272 GLY 273 273 HIS 274 274 LYS 275 275 LEU 276 276 GLY 277 277 LEU 278 278 GLY 279 279 LEU 280 280 GLU 281 281 PHE 282 282 GLN 283 283 ALA 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 $hVDAC1 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 $hVDAC1 'recombinant technology' . Escherichia coli . pET stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type membrane _Details '2D membrane crystal' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $hVDAC1 40 mg '[U-100% 13C; U-100% 15N]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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 Home-built _Model Home-built _Field_strength 750 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_NCACX_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NCACX' _Sample_label $sample_1 save_ save_3D_NCOCX_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NCOCX' _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 . M pH 7.0 . 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 adamantane C 13 'methylene carbon' ppm 38.48 na direct . . . 1 adamantane N 15 'methylene carbon' ppm 38.48 na indirect . . . 0.403 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 '3D NCACX' '3D NCOCX' 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 hVDAC1 _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 2 ALA C C 174.9 0.3 . 2 2 2 ALA CA C 51.2 0.3 . 3 2 2 ALA CB C 20.2 0.3 . 4 2 2 ALA N N 118.3 0.5 . 5 3 3 VAL C C 174 0.3 . 6 3 3 VAL N N 125 0.5 . 7 4 4 PRO C C 173.5 0.3 . 8 4 4 PRO CA C 61.7 0.3 . 9 4 4 PRO CB C 30.5 0.3 . 10 4 4 PRO CG C 26.5 0.3 . 11 4 4 PRO CD C 51.8 0.3 . 12 4 4 PRO N N 141.6 0.5 . 13 5 5 PRO CA C 61.5 0.3 . 14 5 5 PRO CB C 32.1 0.3 . 15 5 5 PRO CG C 26.9 0.3 . 16 5 5 PRO CD C 50.3 0.3 . 17 5 5 PRO N N 133.1 0.5 . 18 6 6 THR C C 172.7 0.3 . 19 6 6 THR CA C 59.6 0.3 . 20 6 6 THR CB C 72.6 0.3 . 21 6 6 THR CG2 C 22 0.3 . 22 7 7 TYR C C 175.1 0.3 . 23 7 7 TYR CA C 60.1 0.3 . 24 7 7 TYR CB C 35.8 0.3 . 25 7 7 TYR N N 120.5 0.5 . 26 8 8 ALA C C 177.7 0.3 . 27 8 8 ALA CA C 54.1 0.3 . 28 8 8 ALA CB C 18.6 0.3 . 29 8 8 ALA N N 119.3 0.5 . 30 9 9 ASP C C 179.8 0.3 . 31 9 9 ASP CA C 54.2 0.3 . 32 9 9 ASP N N 114.7 0.5 . 33 10 10 LEU C C 175.5 0.3 . 34 10 10 LEU CA C 55.1 0.3 . 35 10 10 LEU N N 126.7 0.5 . 36 11 11 GLY C C 174.1 0.3 . 37 11 11 GLY CA C 45.7 0.3 . 38 11 11 GLY N N 116.4 0.5 . 39 12 12 LYS C C 176.7 0.3 . 40 12 12 LYS CA C 60.1 0.3 . 41 12 12 LYS CB C 33.5 0.3 . 42 12 12 LYS CG C 24.6 0.3 . 43 12 12 LYS CD C 29.4 0.3 . 44 12 12 LYS N N 122.4 0.5 . 45 13 13 SER C C 176.5 0.3 . 46 13 13 SER CA C 60.1 0.3 . 47 13 13 SER CB C 63.4 0.3 . 48 13 13 SER N N 115.6 0.5 . 49 14 14 ALA C C 178.9 0.3 . 50 14 14 ALA CA C 55.5 0.3 . 51 14 14 ALA CB C 18.3 0.3 . 52 14 14 ALA N N 121.8 0.5 . 53 15 15 ARG C C 176.4 0.3 . 54 15 15 ARG CA C 63 0.3 . 55 15 15 ARG CG C 22.6 0.3 . 56 15 15 ARG N N 116.4 0.5 . 57 17 17 VAL C C 178.7 0.3 . 58 17 17 VAL CA C 66.8 0.3 . 59 17 17 VAL CB C 31.2 0.3 . 60 17 17 VAL CG1 C 24.1 0.3 . 61 17 17 VAL N N 120.1 0.5 . 62 18 18 PHE C C 176.4 0.3 . 63 18 18 PHE CA C 62.7 0.3 . 64 18 18 PHE CB C 41.1 0.3 . 65 18 18 PHE N N 116.1 0.5 . 66 19 19 THR C C 176.5 0.3 . 67 19 19 THR CA C 64.2 0.3 . 68 19 19 THR CB C 71.2 0.3 . 69 19 19 THR CG2 C 21.6 0.3 . 70 19 19 THR N N 108.6 0.5 . 71 20 20 LYS C C 176.8 0.3 . 72 20 20 LYS CA C 57.8 0.3 . 73 20 20 LYS CB C 32 0.3 . 74 20 20 LYS CG C 25.6 0.3 . 75 20 20 LYS N N 124.1 0.5 . 76 21 21 GLY C C 171.2 0.3 . 77 21 21 GLY CA C 45 0.3 . 78 21 21 GLY N N 108.8 0.5 . 79 23 23 GLY C C 170.8 0.3 . 80 23 23 GLY CA C 45.1 0.3 . 81 24 24 PHE CA C 54.4 0.3 . 82 24 24 PHE CB C 43.8 0.3 . 83 24 24 PHE N N 124.5 0.5 . 84 79 79 ASN C C 177.1 0.3 . 85 79 79 ASN CA C 53.9 0.3 . 86 79 79 ASN CB C 40 0.3 . 87 79 79 ASN N N 115.1 0.5 . 88 80 80 THR C C 173.6 0.3 . 89 80 80 THR CA C 63 0.3 . 90 80 80 THR CB C 71.7 0.3 . 91 80 80 THR N N 118.9 0.5 . 92 81 81 LEU C C 176 0.3 . 93 81 81 LEU CA C 55.7 0.3 . 94 81 81 LEU CB C 41.5 0.3 . 95 81 81 LEU N N 127.5 0.5 . 96 82 82 GLY C C 172.2 0.3 . 97 82 82 GLY CA C 46.8 0.3 . 98 82 82 GLY N N 105.4 0.5 . 99 83 83 THR C C 173 0.3 . 100 83 83 THR CA C 63.4 0.3 . 101 83 83 THR CB C 72.1 0.3 . 102 83 83 THR N N 108.8 0.5 . 103 84 84 GLU C C 174.4 0.3 . 104 84 84 GLU CA C 55 0.3 . 105 84 84 GLU CB C 31.2 0.3 . 106 84 84 GLU CG C 35.3 0.3 . 107 84 84 GLU N N 122.4 0.5 . 108 85 85 ILE N N 125.9 0.5 . 109 97 97 LEU C C 174.2 0.3 . 110 97 97 LEU CA C 54.5 0.3 . 111 97 97 LEU CG C 28.9 0.3 . 112 97 97 LEU CD1 C 26.5 0.3 . 113 97 97 LEU CD2 C 26.5 0.3 . 114 98 98 THR C C 173.3 0.3 . 115 98 98 THR CA C 61.5 0.3 . 116 98 98 THR CB C 72 0.3 . 117 98 98 THR N N 118.7 0.5 . 118 99 99 PHE C C 173.8 0.3 . 119 99 99 PHE CA C 55.5 0.3 . 120 99 99 PHE CB C 41.7 0.3 . 121 99 99 PHE N N 126 0.5 . 122 100 100 ASP C C 174.4 0.3 . 123 100 100 ASP CA C 53.7 0.3 . 124 100 100 ASP CB C 46.4 0.3 . 125 100 100 ASP N N 128.1 0.5 . 126 101 101 SER C C 172.6 0.3 . 127 101 101 SER CA C 57.9 0.3 . 128 101 101 SER CB C 66.1 0.3 . 129 102 102 SER C C 170.8 0.3 . 130 102 102 SER CA C 57.8 0.3 . 131 102 102 SER CB C 65.1 0.3 . 132 103 103 PHE C C 175.3 0.3 . 133 103 103 PHE CA C 55.2 0.3 . 134 103 103 PHE CB C 41.1 0.3 . 135 103 103 PHE N N 122.6 0.5 . 136 104 104 SER C C 172.8 0.3 . 137 104 104 SER CA C 58.9 0.3 . 138 104 104 SER N N 120.3 0.5 . 139 105 105 PRO CA C 65.8 0.3 . 140 105 105 PRO CB C 31.4 0.3 . 141 105 105 PRO CD C 50.2 0.3 . 142 105 105 PRO N N 130.6 0.5 . 143 135 135 GLY C C 170.3 0.3 . 144 135 135 GLY CA C 46.2 0.3 . 145 136 136 PRO C C 175.1 0.3 . 146 136 136 PRO CA C 60.5 0.3 . 147 136 136 PRO CB C 35.6 0.3 . 148 136 136 PRO CD C 50.1 0.3 . 149 136 136 PRO N N 133.7 0.5 . 150 137 137 SER C C 172.3 0.3 . 151 137 137 SER CA C 57.9 0.3 . 152 137 137 SER CB C 65.4 0.3 . 153 137 137 SER N N 119.7 0.5 . 154 138 138 ILE C C 172.9 0.3 . 155 138 138 ILE CA C 56.3 0.3 . 156 138 138 ILE CB C 44.2 0.3 . 157 138 138 ILE CG1 C 25.4 0.3 . 158 138 138 ILE CD1 C 16.3 0.3 . 159 138 138 ILE N N 125 0.5 . 160 139 139 ARG C C 175.4 0.3 . 161 139 139 ARG CA C 51.2 0.3 . 162 139 139 ARG CB C 35.9 0.3 . 163 139 139 ARG CG C 24.1 0.3 . 164 139 139 ARG CD C 41.6 0.3 . 165 139 139 ARG N N 122.7 0.5 . 166 140 140 GLY C C 170.9 0.3 . 167 140 140 GLY CA C 44.4 0.3 . 168 140 140 GLY N N 114.4 0.5 . 169 141 141 ALA C C 174.8 0.3 . 170 141 141 ALA CA C 51.4 0.3 . 171 141 141 ALA CB C 23.1 0.3 . 172 141 141 ALA N N 123.9 0.5 . 173 142 142 LEU C C 174.3 0.3 . 174 142 142 LEU CA C 51.4 0.3 . 175 142 142 LEU CB C 45.1 0.3 . 176 142 142 LEU CG C 24.6 0.3 . 177 142 142 LEU CD1 C 23.6 0.3 . 178 142 142 LEU CD2 C 23.6 0.3 . 179 142 142 LEU N N 123.9 0.5 . 180 143 143 VAL C C 174.1 0.3 . 181 143 143 VAL CA C 61.4 0.3 . 182 143 143 VAL CB C 35.3 0.3 . 183 143 143 VAL CG1 C 23.5 0.3 . 184 143 143 VAL N N 124.6 0.5 . 185 144 144 LEU C C 175.8 0.3 . 186 144 144 LEU CA C 52.3 0.3 . 187 144 144 LEU CB C 44.4 0.3 . 188 144 144 LEU CG C 26.1 0.3 . 189 144 144 LEU CD1 C 22.2 0.3 . 190 144 144 LEU CD2 C 22.2 0.3 . 191 144 144 LEU N N 126 0.5 . 192 145 145 GLY C C 172.8 0.3 . 193 145 145 GLY CA C 44.7 0.3 . 194 145 145 GLY N N 107.1 0.5 . 195 146 146 TYR C C 174.8 0.3 . 196 146 146 TYR CA C 54.1 0.3 . 197 146 146 TYR CB C 42.9 0.3 . 198 146 146 TYR N N 122.1 0.5 . 199 147 147 GLN N N 123.9 0.5 . 200 170 170 ALA C C 175.1 0.3 . 201 170 170 ALA CA C 51.6 0.3 . 202 170 170 ALA CB C 21.8 0.3 . 203 171 171 VAL C C 174.1 0.3 . 204 171 171 VAL CA C 61.5 0.3 . 205 171 171 VAL CB C 32.2 0.3 . 206 171 171 VAL N N 119.6 0.5 . 207 172 172 GLY CA C 47.4 0.3 . 208 172 172 GLY N N 105.3 0.5 . 209 185 185 ASN C C 173.9 0.3 . 210 185 185 ASN CA C 54.3 0.3 . 211 185 185 ASN CB C 42.6 0.3 . 212 186 186 ASP C C 172.9 0.3 . 213 186 186 ASP CA C 56.3 0.3 . 214 186 186 ASP CB C 43.7 0.3 . 215 186 186 ASP N N 127.1 0.5 . 216 187 187 GLY C C 171.3 0.3 . 217 187 187 GLY CA C 44.6 0.3 . 218 187 187 GLY N N 107.1 0.5 . 219 188 188 THR C C 176.2 0.3 . 220 188 188 THR CA C 60.5 0.3 . 221 188 188 THR CB C 70.3 0.3 . 222 188 188 THR N N 105.4 0.5 . 223 189 189 GLU C C 174.3 0.3 . 224 189 189 GLU CA C 54.9 0.3 . 225 189 189 GLU CB C 31.2 0.3 . 226 189 189 GLU N N 122.3 0.5 . 227 190 190 PHE N N 125.8 0.5 . 228 192 192 GLY C C 171.3 0.3 . 229 192 192 GLY CA C 46.1 0.3 . 230 193 193 SER C C 173.6 0.3 . 231 193 193 SER CA C 56.4 0.3 . 232 193 193 SER CB C 67.6 0.3 . 233 193 193 SER N N 114.3 0.5 . 234 194 194 ILE N N 117.5 0.5 . 235 195 195 THR C C 174.1 0.3 . 236 195 195 THR CA C 53.5 0.3 . 237 195 195 THR N N 127.7 0.5 . 238 196 196 GLN C C 173.7 0.3 . 239 196 196 GLN CA C 55.1 0.3 . 240 196 196 GLN CB C 32.6 0.3 . 241 196 196 GLN N N 123.9 0.5 . 242 197 197 LYS C C 173.7 0.3 . 243 197 197 LYS CA C 54.7 0.3 . 244 197 197 LYS CB C 32.8 0.3 . 245 197 197 LYS N N 131.7 0.5 . 246 198 198 VAL C C 174.9 0.3 . 247 198 198 VAL CA C 63 0.3 . 248 198 198 VAL CG1 C 22.6 0.3 . 249 198 198 VAL N N 126.8 0.5 . 250 199 199 ASN N N 130.9 0.5 . 251 229 229 PRO CA C 65.6 0.3 . 252 229 229 PRO CB C 33 0.3 . 253 229 229 PRO CD C 49.6 0.3 . 254 229 229 PRO N N 134.4 0.5 . 255 253 253 PRO C C 176.3 0.3 . 256 253 253 PRO CA C 66.2 0.3 . 257 253 253 PRO CB C 32.1 0.3 . 258 253 253 PRO CG C 28.2 0.3 . 259 253 253 PRO CD C 50.8 0.3 . 260 253 253 PRO N N 131.1 0.5 . 261 254 254 GLY C C 170 0.3 . 262 254 254 GLY CA C 45.9 0.3 . 263 254 254 GLY N N 114.1 0.5 . 264 255 255 ILE C C 174.3 0.3 . 265 255 255 ILE CA C 60.1 0.3 . 266 255 255 ILE CB C 36.7 0.3 . 267 255 255 ILE N N 118.7 0.5 . 268 256 256 LYS C C 174.4 0.3 . 269 256 256 LYS CA C 55.2 0.3 . 270 256 256 LYS CB C 36.9 0.3 . 271 256 256 LYS CD C 27.5 0.3 . 272 256 256 LYS N N 126.9 0.5 . 273 257 257 LEU C C 174.7 0.3 . 274 257 257 LEU CA C 54.1 0.3 . 275 257 257 LEU CB C 45.9 0.3 . 276 257 257 LEU N N 126.5 0.5 . 277 258 258 THR C C 173 0.3 . 278 258 258 THR CA C 61.7 0.3 . 279 258 258 THR CB C 72.5 0.3 . 280 258 258 THR N N 119.7 0.5 . 281 259 259 LEU C C 174.6 0.3 . 282 259 259 LEU CA C 53.4 0.3 . 283 259 259 LEU CB C 46 0.3 . 284 259 259 LEU N N 127.1 0.5 . 285 260 260 SER C C 172.7 0.3 . 286 260 260 SER CA C 57.6 0.3 . 287 260 260 SER CB C 66.9 0.3 . 288 260 260 SER N N 113.8 0.5 . 289 261 261 ALA C C 173.3 0.3 . 290 261 261 ALA CA C 51.7 0.3 . 291 261 261 ALA CB C 23.6 0.3 . 292 261 261 ALA N N 119.8 0.5 . 293 262 262 LEU C C 174.7 0.3 . 294 262 262 LEU CA C 52.9 0.3 . 295 262 262 LEU CB C 43.2 0.3 . 296 262 262 LEU N N 124.5 0.5 . 297 263 263 LEU CA C 53.1 0.3 . 298 263 263 LEU CB C 45 0.3 . 299 263 263 LEU N N 123.8 0.5 . 300 274 274 LYS C C 174.1 0.3 . 301 274 274 LYS CA C 54.1 0.3 . 302 274 274 LYS CB C 34 0.3 . 303 274 274 LYS N N 119.3 0.5 . 304 275 275 LEU C C 175.2 0.3 . 305 275 275 LEU CA C 50.7 0.3 . 306 275 275 LEU CB C 45.1 0.3 . 307 275 275 LEU N N 126.9 0.5 . 308 276 276 GLY C C 171.9 0.3 . 309 276 276 GLY CA C 44.9 0.3 . 310 276 276 GLY N N 108.2 0.5 . 311 277 277 LEU C C 175.9 0.3 . 312 277 277 LEU CA C 52.4 0.3 . 313 277 277 LEU CB C 44.4 0.3 . 314 277 277 LEU CD1 C 26.6 0.3 . 315 277 277 LEU CD2 C 26.6 0.3 . 316 277 277 LEU N N 124.7 0.5 . 317 278 278 GLY C C 171.7 0.3 . 318 278 278 GLY CA C 45 0.3 . 319 278 278 GLY N N 107 0.5 . 320 279 279 LEU C C 174.3 0.3 . 321 279 279 LEU CA C 54.1 0.3 . 322 279 279 LEU CB C 46.7 0.3 . 323 279 279 LEU N N 120.7 0.5 . 324 280 280 GLU C C 177.6 0.3 . 325 280 280 GLU CA C 53.7 0.3 . 326 280 280 GLU CB C 30.4 0.3 . 327 280 280 GLU N N 124.6 0.5 . stop_ save_