data_28053 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; VDAC_E73V assignment in MSP1D1 nanodiscs ; _BMRB_accession_number 28053 _BMRB_flat_file_name bmr28053.str _Entry_type original _Submission_date 2019-12-13 _Accession_date 2019-12-13 _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 Bibow Stefan . . 2 Boehm Raphael . . 3 Modaresi 'Seyed Majed' . . 4 Hiller Sebastian . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 249 "15N chemical shifts" 249 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-07-26 update BMRB 'update entry citation' 2020-01-24 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 50125 'VDAC E73V assignment in DHPC7 micelles' stop_ _Original_release_date 2019-12-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Detergent Titration as an Efficient Method for NMR Resonance Assignments of Membrane Proteins in Lipid-Bilayer Nanodiscs ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32378880 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bibow Stefan . . 2 Boehm Raphael . . 3 Modaresi 'Seyed Majed' . . 4 Hiller Sebastian . . stop_ _Journal_abbreviation 'Anal. Chem.' _Journal_name_full 'Analytical chemistry' _Journal_volume 92 _Journal_issue 11 _Journal_ISSN 1520-6882 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 7786 _Page_last 7793 _Year 2020 _Details . loop_ _Keyword VDAC 'assignment transfer' nanodiscs stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name VDAC-MSP1D1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label VDAC $VDAC stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'VDAC reconstituted in MSP1D1 with DMPC lipids' save_ ######################## # Monomeric polymers # ######################## save_VDAC _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common VDAC _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 291 _Mol_residue_sequence ; MAVPPTYADLGKSARDVFTK GYGFGLIKLDLKTKSENGLE FTSSGSANTETTKVTGSLET KYRWTEYGLTFTVKWNTDNT LGTEITVEDQLARGLKLTFD SSFSPNTGKKNAKIKTGYKR EHINLGCDMDFDIAGPSIRG ALVLGYEGWLAGYQMNFETA KSRVTQSNFAVGYKTDEFQL HTNVNDGTEFGGSIYQKVNK KLETAVNLAWTAGNSNTRFG IAAKYQIDPDACFSAKVNNS SLIGLGYTQTLKPGIKLTLS ALLDGKNVNAGGHKLGLGLE FQALEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 VAL 4 PRO 5 PRO 6 THR 7 TYR 8 ALA 9 ASP 10 LEU 11 GLY 12 LYS 13 SER 14 ALA 15 ARG 16 ASP 17 VAL 18 PHE 19 THR 20 LYS 21 GLY 22 TYR 23 GLY 24 PHE 25 GLY 26 LEU 27 ILE 28 LYS 29 LEU 30 ASP 31 LEU 32 LYS 33 THR 34 LYS 35 SER 36 GLU 37 ASN 38 GLY 39 LEU 40 GLU 41 PHE 42 THR 43 SER 44 SER 45 GLY 46 SER 47 ALA 48 ASN 49 THR 50 GLU 51 THR 52 THR 53 LYS 54 VAL 55 THR 56 GLY 57 SER 58 LEU 59 GLU 60 THR 61 LYS 62 TYR 63 ARG 64 TRP 65 THR 66 GLU 67 TYR 68 GLY 69 LEU 70 THR 71 PHE 72 THR 73 VAL 74 LYS 75 TRP 76 ASN 77 THR 78 ASP 79 ASN 80 THR 81 LEU 82 GLY 83 THR 84 GLU 85 ILE 86 THR 87 VAL 88 GLU 89 ASP 90 GLN 91 LEU 92 ALA 93 ARG 94 GLY 95 LEU 96 LYS 97 LEU 98 THR 99 PHE 100 ASP 101 SER 102 SER 103 PHE 104 SER 105 PRO 106 ASN 107 THR 108 GLY 109 LYS 110 LYS 111 ASN 112 ALA 113 LYS 114 ILE 115 LYS 116 THR 117 GLY 118 TYR 119 LYS 120 ARG 121 GLU 122 HIS 123 ILE 124 ASN 125 LEU 126 GLY 127 CYS 128 ASP 129 MET 130 ASP 131 PHE 132 ASP 133 ILE 134 ALA 135 GLY 136 PRO 137 SER 138 ILE 139 ARG 140 GLY 141 ALA 142 LEU 143 VAL 144 LEU 145 GLY 146 TYR 147 GLU 148 GLY 149 TRP 150 LEU 151 ALA 152 GLY 153 TYR 154 GLN 155 MET 156 ASN 157 PHE 158 GLU 159 THR 160 ALA 161 LYS 162 SER 163 ARG 164 VAL 165 THR 166 GLN 167 SER 168 ASN 169 PHE 170 ALA 171 VAL 172 GLY 173 TYR 174 LYS 175 THR 176 ASP 177 GLU 178 PHE 179 GLN 180 LEU 181 HIS 182 THR 183 ASN 184 VAL 185 ASN 186 ASP 187 GLY 188 THR 189 GLU 190 PHE 191 GLY 192 GLY 193 SER 194 ILE 195 TYR 196 GLN 197 LYS 198 VAL 199 ASN 200 LYS 201 LYS 202 LEU 203 GLU 204 THR 205 ALA 206 VAL 207 ASN 208 LEU 209 ALA 210 TRP 211 THR 212 ALA 213 GLY 214 ASN 215 SER 216 ASN 217 THR 218 ARG 219 PHE 220 GLY 221 ILE 222 ALA 223 ALA 224 LYS 225 TYR 226 GLN 227 ILE 228 ASP 229 PRO 230 ASP 231 ALA 232 CYS 233 PHE 234 SER 235 ALA 236 LYS 237 VAL 238 ASN 239 ASN 240 SER 241 SER 242 LEU 243 ILE 244 GLY 245 LEU 246 GLY 247 TYR 248 THR 249 GLN 250 THR 251 LEU 252 LYS 253 PRO 254 GLY 255 ILE 256 LYS 257 LEU 258 THR 259 LEU 260 SER 261 ALA 262 LEU 263 LEU 264 ASP 265 GLY 266 LYS 267 ASN 268 VAL 269 ASN 270 ALA 271 GLY 272 GLY 273 HIS 274 LYS 275 LEU 276 GLY 277 LEU 278 GLY 279 LEU 280 GLU 281 PHE 282 GLN 283 ALA 284 LEU 285 GLU 286 HIS 287 HIS 288 HIS 289 HIS 290 HIS 291 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 $VDAC 'E. coli' 562 Bacteria . Escherichia coli 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 $VDAC 'recombinant technology' . Escherichia coli . pET21a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'VDAC reconstituted in MSP1D1 with DMPC lipids' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $VDAC 300 uM '[U-13C; U-15N; U-2H]' NaCl 100 mM '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 Bruker _Model Avance _Field_strength 700 _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_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 7.0 . pH pressure 1 . atm temperature 310 . 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' 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 VDAC _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 6 6 THR H H 7.450 0.03 . 2 6 6 THR N N 106.437 0.12 . 3 7 7 TYR H H 7.720 0.02 . 4 7 7 TYR N N 122.842 0.12 . 5 8 8 ALA H H 8.467 0.00 . 6 8 8 ALA N N 119.349 0.00 . 7 9 9 ASP H H 7.276 0.02 . 8 9 9 ASP N N 115.460 0.06 . 9 10 10 LEU H H 7.393 0.02 . 10 10 10 LEU N N 125.460 0.01 . 11 12 12 LYS H H 7.322 0.01 . 12 12 12 LYS N N 122.716 0.13 . 13 13 13 SER H H 8.155 0.02 . 14 13 13 SER N N 115.546 0.01 . 15 14 14 ALA H H 8.302 0.00 . 16 14 14 ALA N N 122.054 0.00 . 17 15 15 ARG H H 7.314 0.04 . 18 15 15 ARG N N 117.328 0.14 . 19 16 16 ASP H H 9.058 0.04 . 20 16 16 ASP N N 122.485 0.23 . 21 17 17 VAL H H 7.542 0.00 . 22 17 17 VAL N N 120.411 0.00 . 23 18 18 PHE H H 7.562 0.06 . 24 18 18 PHE N N 116.263 0.16 . 25 21 21 GLY H H 8.348 0.02 . 26 21 21 GLY N N 109.829 0.05 . 27 22 22 TYR H H 6.657 0.00 . 28 22 22 TYR N N 113.816 0.00 . 29 24 24 PHE H H 7.112 0.00 . 30 24 24 PHE N N 120.726 0.00 . 31 25 25 GLY H H 8.194 0.00 . 32 25 25 GLY N N 110.664 0.00 . 33 26 26 LEU H H 7.533 0.00 . 34 26 26 LEU N N 118.369 0.00 . 35 27 27 ILE H H 8.713 0.00 . 36 27 27 ILE N N 120.981 0.00 . 37 28 28 LYS H H 8.819 0.00 . 38 28 28 LYS N N 127.096 0.00 . 39 29 29 LEU H H 8.789 0.02 . 40 29 29 LEU N N 124.359 0.06 . 41 30 30 ASP H H 8.527 0.03 . 42 30 30 ASP N N 123.809 0.06 . 43 31 31 LEU H H 9.168 0.00 . 44 31 31 LEU N N 123.653 0.00 . 45 32 32 LYS H H 8.596 0.00 . 46 32 32 LYS N N 125.271 0.19 . 47 33 33 THR H H 9.073 0.00 . 48 33 33 THR N N 116.413 0.00 . 49 34 34 LYS H H 8.186 0.02 . 50 34 34 LYS N N 123.417 0.29 . 51 35 35 SER H H 8.930 0.04 . 52 35 35 SER N N 120.187 0.07 . 53 37 37 ASN H H 8.434 0.00 . 54 37 37 ASN N N 116.238 0.00 . 55 38 38 GLY H H 7.792 0.08 . 56 38 38 GLY N N 106.674 0.01 . 57 39 39 LEU H H 7.860 0.02 . 58 39 39 LEU N N 122.728 0.05 . 59 40 40 GLU H H 8.935 0.00 . 60 40 40 GLU N N 124.532 0.00 . 61 41 41 PHE H H 8.902 0.00 . 62 41 41 PHE N N 125.126 0.00 . 63 43 43 SER H H 9.246 0.00 . 64 43 43 SER N N 120.874 0.00 . 65 44 44 SER H H 8.681 0.03 . 66 44 44 SER N N 120.476 0.20 . 67 45 45 GLY H H 9.130 0.00 . 68 45 45 GLY N N 111.008 0.00 . 69 46 46 SER H H 9.136 0.00 . 70 46 46 SER N N 116.314 0.00 . 71 47 47 ALA H H 9.263 0.00 . 72 47 47 ALA N N 124.548 0.17 . 73 48 48 ASN H H 8.348 0.00 . 74 48 48 ASN N N 121.422 0.00 . 75 53 53 LYS H H 7.566 0.03 . 76 53 53 LYS N N 120.769 0.03 . 77 54 54 VAL H H 8.736 0.02 . 78 54 54 VAL N N 127.130 0.07 . 79 55 55 THR H H 8.793 0.05 . 80 55 55 THR N N 119.465 0.18 . 81 56 56 GLY H H 8.354 0.02 . 82 56 56 GLY N N 109.820 0.06 . 83 57 57 SER H H 9.151 0.00 . 84 57 57 SER N N 113.385 0.00 . 85 58 58 LEU H H 9.212 0.00 . 86 58 58 LEU N N 122.511 0.00 . 87 59 59 GLU H H 9.082 0.00 . 88 59 59 GLU N N 123.753 0.00 . 89 60 60 THR H H 9.130 0.01 . 90 60 60 THR N N 119.968 0.27 . 91 61 61 LYS H H 8.913 0.00 . 92 61 61 LYS N N 126.723 0.13 . 93 62 62 TYR H H 9.187 0.00 . 94 62 62 TYR N N 124.810 0.00 . 95 63 63 ARG H H 7.537 0.00 . 96 63 63 ARG N N 126.959 0.00 . 97 64 64 TRP H H 9.283 0.01 . 98 64 64 TRP N N 127.869 0.06 . 99 65 65 THR H H 8.450 0.02 . 100 65 65 THR N N 120.938 0.03 . 101 67 67 TYR H H 6.743 0.00 . 102 67 67 TYR N N 114.215 0.00 . 103 68 68 GLY H H 7.661 0.00 . 104 68 68 GLY N N 106.144 0.00 . 105 69 69 LEU H H 7.333 0.04 . 106 69 69 LEU N N 120.336 0.40 . 107 70 70 THR H H 9.327 0.00 . 108 70 70 THR N N 121.665 0.00 . 109 71 71 PHE H H 9.344 0.01 . 110 71 71 PHE N N 127.982 0.09 . 111 72 72 THR H H 8.992 0.00 . 112 72 72 THR N N 122.220 0.00 . 113 73 73 VAL H H 8.970 0.00 . 114 73 73 VAL N N 125.656 0.01 . 115 74 74 LYS H H 9.188 0.00 . 116 74 74 LYS N N 126.124 0.00 . 117 75 75 TRP H H 9.108 0.00 . 118 75 75 TRP N N 123.759 0.00 . 119 76 76 ASN H H 7.831 0.00 . 120 76 76 ASN N N 122.722 0.00 . 121 77 77 THR H H 8.210 0.02 . 122 77 77 THR N N 109.376 0.12 . 123 78 78 ASP H H 7.752 0.00 . 124 78 78 ASP N N 121.710 0.00 . 125 79 79 ASN H H 8.574 0.00 . 126 79 79 ASN N N 115.730 0.00 . 127 81 81 LEU H H 8.773 0.00 . 128 81 81 LEU N N 128.612 0.00 . 129 82 82 GLY H H 9.414 0.00 . 130 82 82 GLY N N 112.665 0.00 . 131 83 83 THR H H 8.858 0.00 . 132 83 83 THR N N 114.394 0.00 . 133 84 84 GLU H H 8.868 0.01 . 134 84 84 GLU N N 124.560 0.07 . 135 85 85 ILE H H 9.038 0.00 . 136 85 85 ILE N N 125.889 0.00 . 137 86 86 THR H H 9.085 0.04 . 138 86 86 THR N N 124.258 0.16 . 139 87 87 VAL H H 9.413 0.03 . 140 87 87 VAL N N 124.745 0.16 . 141 88 88 GLU H H 9.116 0.05 . 142 88 88 GLU N N 127.793 0.54 . 143 89 89 ASP H H 8.723 0.01 . 144 89 89 ASP N N 118.188 0.11 . 145 90 90 GLN H H 7.969 0.03 . 146 90 90 GLN N N 117.976 0.04 . 147 91 91 LEU H H 8.308 0.00 . 148 91 91 LEU N N 118.248 0.00 . 149 92 92 ALA H H 7.634 0.00 . 150 92 92 ALA N N 117.416 0.00 . 151 93 93 ARG H H 8.836 0.00 . 152 93 93 ARG N N 123.739 0.00 . 153 94 94 GLY H H 9.410 0.03 . 154 94 94 GLY N N 115.492 0.19 . 155 95 95 LEU H H 7.938 0.00 . 156 95 95 LEU N N 122.825 0.02 . 157 96 96 LYS H H 9.700 0.02 . 158 96 96 LYS N N 132.562 0.51 . 159 97 97 LEU H H 8.809 0.01 . 160 97 97 LEU N N 127.281 0.08 . 161 98 98 THR H H 9.201 0.00 . 162 98 98 THR N N 120.218 0.29 . 163 99 99 PHE H H 9.514 0.01 . 164 99 99 PHE N N 127.069 0.09 . 165 100 100 ASP H H 8.792 0.01 . 166 100 100 ASP N N 129.651 0.37 . 167 101 101 SER H H 8.668 0.01 . 168 101 101 SER N N 118.520 0.10 . 169 102 102 SER H H 8.696 0.00 . 170 102 102 SER N N 118.402 0.00 . 171 103 103 PHE H H 9.182 0.00 . 172 103 103 PHE N N 121.938 0.06 . 173 104 104 SER H H 7.933 0.00 . 174 104 104 SER N N 120.737 0.00 . 175 108 108 GLY H H 8.247 0.06 . 176 108 108 GLY N N 112.123 0.02 . 177 109 109 LYS H H 7.532 0.03 . 178 109 109 LYS N N 120.946 0.12 . 179 110 110 LYS H H 8.469 0.00 . 180 110 110 LYS N N 124.637 0.15 . 181 111 111 ASN H H 8.666 0.01 . 182 111 111 ASN N N 119.707 0.18 . 183 112 112 ALA H H 8.517 0.00 . 184 112 112 ALA N N 124.342 0.00 . 185 113 113 LYS H H 9.098 0.01 . 186 113 113 LYS N N 119.727 0.03 . 187 114 114 ILE H H 8.869 0.00 . 188 114 114 ILE N N 121.022 0.30 . 189 115 115 LYS H H 9.370 0.02 . 190 115 115 LYS N N 126.849 0.20 . 191 116 116 THR H H 8.716 0.01 . 192 116 116 THR N N 117.306 0.08 . 193 117 117 GLY H H 9.238 0.01 . 194 117 117 GLY N N 114.028 0.05 . 195 118 118 TYR H H 9.181 0.00 . 196 118 118 TYR N N 123.657 0.00 . 197 119 119 LYS H H 7.618 0.01 . 198 119 119 LYS N N 125.307 0.04 . 199 120 120 ARG H H 8.800 0.01 . 200 120 120 ARG N N 118.737 0.03 . 201 122 122 HIS H H 7.991 0.00 . 202 122 122 HIS N N 112.540 0.00 . 203 123 123 ILE H H 8.014 0.01 . 204 123 123 ILE N N 118.138 0.12 . 205 124 124 ASN H H 9.004 0.00 . 206 124 124 ASN N N 125.433 0.07 . 207 125 125 LEU H H 9.520 0.02 . 208 125 125 LEU N N 128.941 0.10 . 209 126 126 GLY H H 9.536 0.00 . 210 126 126 GLY N N 113.654 0.08 . 211 127 127 CYS H H 8.572 0.01 . 212 127 127 CYS N N 121.489 0.06 . 213 128 128 ASP H H 9.441 0.01 . 214 128 128 ASP N N 130.351 0.11 . 215 129 129 MET H H 9.444 0.05 . 216 129 129 MET N N 123.444 0.02 . 217 130 130 ASP H H 8.655 0.03 . 218 130 130 ASP N N 125.356 0.11 . 219 131 131 PHE H H 8.604 0.00 . 220 131 131 PHE N N 123.432 0.00 . 221 132 132 ASP H H 7.374 0.01 . 222 132 132 ASP N N 123.091 0.27 . 223 133 133 ILE H H 8.464 0.04 . 224 133 133 ILE N N 124.737 0.08 . 225 134 134 ALA H H 8.509 0.04 . 226 134 134 ALA N N 123.718 0.03 . 227 135 135 GLY H H 7.700 0.07 . 228 135 135 GLY N N 106.929 0.21 . 229 137 137 SER H H 8.886 0.00 . 230 137 137 SER N N 117.941 0.00 . 231 138 138 ILE H H 9.168 0.00 . 232 138 138 ILE N N 122.271 0.00 . 233 139 139 ARG H H 9.067 0.05 . 234 139 139 ARG N N 128.690 0.09 . 235 140 140 GLY H H 8.744 0.03 . 236 140 140 GLY N N 113.723 0.05 . 237 141 141 ALA H H 9.009 0.02 . 238 141 141 ALA N N 124.324 0.04 . 239 142 142 LEU H H 9.250 0.05 . 240 142 142 LEU N N 123.529 0.21 . 241 143 143 VAL H H 9.105 0.00 . 242 143 143 VAL N N 125.484 0.00 . 243 144 144 LEU H H 9.425 0.01 . 244 144 144 LEU N N 126.537 0.16 . 245 145 145 GLY H H 8.243 0.03 . 246 145 145 GLY N N 105.880 0.22 . 247 146 146 TYR H H 8.471 0.03 . 248 146 146 TYR N N 123.374 0.22 . 249 147 147 GLU H H 9.037 0.00 . 250 147 147 GLU N N 125.826 0.00 . 251 148 148 GLY H H 7.985 0.00 . 252 148 148 GLY N N 107.771 0.00 . 253 149 149 TRP H H 8.256 0.00 . 254 149 149 TRP N N 121.056 0.00 . 255 150 150 LEU H H 8.998 0.04 . 256 150 150 LEU N N 123.677 0.08 . 257 151 151 ALA H H 8.960 0.01 . 258 151 151 ALA N N 122.172 0.02 . 259 152 152 GLY H H 9.698 0.02 . 260 152 152 GLY N N 108.044 0.14 . 261 153 153 TYR H H 9.250 0.04 . 262 153 153 TYR N N 122.422 0.21 . 263 154 154 GLN H H 8.235 0.09 . 264 154 154 GLN N N 128.185 0.00 . 265 155 155 MET H H 8.808 0.05 . 266 155 155 MET N N 121.475 0.04 . 267 156 156 ASN H H 8.027 0.04 . 268 156 156 ASN N N 119.518 0.09 . 269 157 157 PHE H H 9.601 0.02 . 270 157 157 PHE N N 127.997 0.08 . 271 158 158 GLU H H 7.967 0.01 . 272 158 158 GLU N N 127.651 0.25 . 273 159 159 THR H H 7.737 0.00 . 274 159 159 THR N N 117.813 0.00 . 275 160 160 ALA H H 9.154 0.00 . 276 160 160 ALA N N 125.592 0.00 . 277 162 162 SER H H 7.564 0.03 . 278 162 162 SER N N 114.841 0.01 . 279 163 163 ARG H H 6.774 0.00 . 280 163 163 ARG N N 114.632 0.00 . 281 164 164 VAL H H 8.794 0.00 . 282 164 164 VAL N N 123.834 0.00 . 283 165 165 THR H H 8.768 0.00 . 284 165 165 THR N N 119.120 0.00 . 285 166 166 GLN H H 7.491 0.01 . 286 166 166 GLN N N 121.445 0.01 . 287 167 167 SER H H 8.447 0.00 . 288 167 167 SER N N 119.208 0.00 . 289 168 168 ASN H H 9.155 0.00 . 290 168 168 ASN N N 126.272 0.00 . 291 169 169 PHE H H 8.678 0.00 . 292 169 169 PHE N N 118.259 0.00 . 293 170 170 ALA H H 8.893 0.01 . 294 170 170 ALA N N 122.642 0.05 . 295 171 171 VAL H H 8.299 0.05 . 296 171 171 VAL N N 117.258 0.13 . 297 172 172 GLY H H 9.495 0.06 . 298 172 172 GLY N N 113.478 0.14 . 299 173 173 TYR H H 8.619 0.04 . 300 173 173 TYR N N 119.811 0.08 . 301 174 174 LYS H H 8.793 0.03 . 302 174 174 LYS N N 129.712 0.38 . 303 175 175 THR H H 8.693 0.02 . 304 175 175 THR N N 118.335 0.16 . 305 177 177 GLU H H 8.149 0.02 . 306 177 177 GLU N N 114.707 0.16 . 307 178 178 PHE H H 7.586 0.02 . 308 178 178 PHE N N 120.284 0.23 . 309 179 179 GLN H H 8.852 0.03 . 310 179 179 GLN N N 121.918 0.35 . 311 180 180 LEU H H 9.427 0.04 . 312 180 180 LEU N N 127.997 0.24 . 313 181 181 HIS H H 9.199 0.02 . 314 181 181 HIS N N 128.827 0.29 . 315 183 183 ASN H H 8.923 0.02 . 316 183 183 ASN N N 116.911 0.25 . 317 184 184 VAL H H 9.008 0.01 . 318 184 184 VAL N N 118.900 0.18 . 319 185 185 ASN H H 9.361 0.02 . 320 185 185 ASN N N 129.021 0.04 . 321 186 186 ASP H H 9.133 0.02 . 322 186 186 ASP N N 125.980 0.17 . 323 187 187 GLY H H 8.709 0.01 . 324 187 187 GLY N N 105.816 0.15 . 325 188 188 THR H H 7.712 0.01 . 326 188 188 THR N N 109.351 0.21 . 327 189 189 GLU H H 7.448 0.07 . 328 189 189 GLU N N 123.385 0.10 . 329 190 190 PHE H H 8.919 0.00 . 330 190 190 PHE N N 125.955 0.00 . 331 191 191 GLY H H 8.495 0.01 . 332 191 191 GLY N N 110.630 0.37 . 333 192 192 GLY H H 8.676 0.01 . 334 192 192 GLY N N 105.882 0.06 . 335 193 193 SER H H 9.784 0.04 . 336 193 193 SER N N 114.740 0.21 . 337 194 194 ILE H H 8.831 0.00 . 338 194 194 ILE N N 119.187 0.00 . 339 195 195 TYR H H 8.814 0.05 . 340 195 195 TYR N N 127.837 0.08 . 341 196 196 GLN H H 8.345 0.05 . 342 196 196 GLN N N 125.946 0.03 . 343 197 197 LYS H H 8.645 0.00 . 344 197 197 LYS N N 129.337 0.00 . 345 198 198 VAL H H 8.451 0.04 . 346 198 198 VAL N N 130.516 0.04 . 347 202 202 LEU H H 7.596 0.02 . 348 202 202 LEU N N 122.737 0.07 . 349 203 203 GLU H H 8.872 0.02 . 350 203 203 GLU N N 125.722 0.11 . 351 204 204 THR H H 8.624 0.08 . 352 204 204 THR N N 112.797 0.10 . 353 205 205 ALA H H 9.075 0.00 . 354 205 205 ALA N N 122.245 0.00 . 355 206 206 VAL H H 9.034 0.00 . 356 206 206 VAL N N 117.501 0.28 . 357 207 207 ASN H H 8.863 0.07 . 358 207 207 ASN N N 123.148 0.03 . 359 208 208 LEU H H 8.734 0.11 . 360 208 208 LEU N N 122.159 0.06 . 361 209 209 ALA H H 9.237 0.00 . 362 209 209 ALA N N 126.585 0.00 . 363 210 210 TRP H H 8.973 0.00 . 364 210 210 TRP N N 121.575 0.00 . 365 211 211 THR H H 8.474 0.03 . 366 211 211 THR N N 120.926 0.03 . 367 212 212 ALA H H 8.529 0.16 . 368 212 212 ALA N N 127.465 0.22 . 369 213 213 GLY H H 8.648 0.09 . 370 213 213 GLY N N 110.511 0.14 . 371 214 214 ASN H H 7.890 0.15 . 372 214 214 ASN N N 118.782 0.48 . 373 216 216 ASN H H 8.289 0.11 . 374 216 216 ASN N N 120.412 0.21 . 375 217 217 THR H H 8.489 0.03 . 376 217 217 THR N N 120.014 0.44 . 377 218 218 ARG H H 9.033 0.00 . 378 218 218 ARG N N 125.897 0.00 . 379 219 219 PHE H H 8.076 0.00 . 380 219 219 PHE N N 120.010 0.03 . 381 220 220 GLY H H 8.567 0.07 . 382 220 220 GLY N N 108.374 0.16 . 383 221 221 ILE H H 8.825 0.05 . 384 221 221 ILE N N 118.727 0.04 . 385 222 222 ALA H H 8.950 0.02 . 386 222 222 ALA N N 126.595 0.03 . 387 223 223 ALA H H 9.232 0.01 . 388 223 223 ALA N N 119.376 0.00 . 389 224 224 LYS H H 8.840 0.07 . 390 224 224 LYS N N 123.111 0.03 . 391 225 225 TYR H H 9.859 0.05 . 392 225 225 TYR N N 129.078 0.37 . 393 226 226 GLN H H 9.059 0.04 . 394 226 226 GLN N N 131.728 0.05 . 395 227 227 ILE H H 7.861 0.03 . 396 227 227 ILE N N 130.450 0.09 . 397 228 228 ASP H H 8.483 0.00 . 398 228 228 ASP N N 118.338 0.00 . 399 230 230 ASP H H 8.579 0.00 . 400 230 230 ASP N N 114.774 0.25 . 401 231 231 ALA H H 7.758 0.00 . 402 231 231 ALA N N 124.376 0.00 . 403 232 232 CYS H H 8.552 0.00 . 404 232 232 CYS N N 119.115 0.10 . 405 233 233 PHE H H 9.358 0.02 . 406 233 233 PHE N N 128.192 0.01 . 407 234 234 SER H H 9.360 0.00 . 408 234 234 SER N N 125.241 0.07 . 409 235 235 ALA H H 8.074 0.00 . 410 235 235 ALA N N 122.921 0.00 . 411 236 236 LYS H H 9.073 0.03 . 412 236 236 LYS N N 115.153 0.13 . 413 237 237 VAL H H 8.973 0.05 . 414 237 237 VAL N N 117.475 0.28 . 415 238 238 ASN H H 7.664 0.04 . 416 238 238 ASN N N 122.207 0.16 . 417 239 239 ASN H H 8.583 0.04 . 418 239 239 ASN N N 114.078 0.01 . 419 240 240 SER H H 7.925 0.03 . 420 240 240 SER N N 116.936 0.18 . 421 241 241 SER H H 8.233 0.01 . 422 241 241 SER N N 109.541 0.12 . 423 242 242 LEU H H 7.319 0.03 . 424 242 242 LEU N N 118.744 0.15 . 425 243 243 ILE H H 9.034 0.00 . 426 243 243 ILE N N 125.882 0.00 . 427 244 244 GLY H H 9.293 0.06 . 428 244 244 GLY N N 114.434 0.07 . 429 245 245 LEU H H 9.408 0.00 . 430 245 245 LEU N N 122.422 0.08 . 431 246 246 GLY H H 9.262 0.03 . 432 246 246 GLY N N 110.842 0.03 . 433 247 247 TYR H H 9.178 0.00 . 434 247 247 TYR N N 125.674 0.00 . 435 248 248 THR H H 8.362 0.04 . 436 248 248 THR N N 124.946 0.14 . 437 249 249 GLN H H 9.243 0.00 . 438 249 249 GLN N N 127.124 0.00 . 439 254 254 GLY H H 8.478 0.02 . 440 254 254 GLY N N 110.600 0.40 . 441 255 255 ILE H H 8.225 0.00 . 442 255 255 ILE N N 121.013 0.00 . 443 256 256 LYS H H 8.820 0.00 . 444 256 256 LYS N N 126.537 0.00 . 445 257 257 LEU H H 8.823 0.04 . 446 257 257 LEU N N 127.826 0.07 . 447 258 258 THR H H 9.645 0.01 . 448 258 258 THR N N 122.965 0.25 . 449 259 259 LEU H H 9.331 0.02 . 450 259 259 LEU N N 129.163 0.25 . 451 260 260 SER H H 8.831 0.02 . 452 260 260 SER N N 115.478 0.09 . 453 261 261 ALA H H 9.580 0.00 . 454 261 261 ALA N N 120.611 0.00 . 455 262 262 LEU H H 8.737 0.00 . 456 262 262 LEU N N 124.919 0.00 . 457 263 263 LEU H H 9.545 0.04 . 458 263 263 LEU N N 126.072 0.07 . 459 264 264 ASP H H 9.535 0.00 . 460 264 264 ASP N N 123.919 0.00 . 461 265 265 GLY H H 8.649 0.04 . 462 265 265 GLY N N 113.195 0.43 . 463 266 266 LYS H H 8.165 0.08 . 464 266 266 LYS N N 117.153 0.73 . 465 267 267 ASN H H 7.580 0.02 . 466 267 267 ASN N N 118.029 0.08 . 467 268 268 VAL H H 8.407 0.05 . 468 268 268 VAL N N 122.166 0.05 . 469 269 269 ASN H H 8.372 0.00 . 470 269 269 ASN N N 117.275 0.18 . 471 270 270 ALA H H 7.609 0.00 . 472 270 270 ALA N N 121.348 0.00 . 473 271 271 GLY H H 7.915 0.03 . 474 271 271 GLY N N 106.758 0.05 . 475 272 272 GLY H H 8.364 0.06 . 476 272 272 GLY N N 109.038 0.10 . 477 273 273 HIS H H 7.474 0.01 . 478 273 273 HIS N N 120.206 0.10 . 479 274 274 LYS H H 8.739 0.00 . 480 274 274 LYS N N 119.501 0.00 . 481 275 275 LEU H H 8.504 0.05 . 482 275 275 LEU N N 122.100 0.00 . 483 276 276 GLY H H 9.125 0.00 . 484 276 276 GLY N N 111.373 0.00 . 485 277 277 LEU H H 8.303 0.02 . 486 277 277 LEU N N 121.339 0.19 . 487 278 278 GLY H H 9.559 0.07 . 488 278 278 GLY N N 115.676 0.16 . 489 279 279 LEU H H 8.749 0.00 . 490 279 279 LEU N N 124.938 0.00 . 491 280 280 GLU H H 8.724 0.00 . 492 280 280 GLU N N 124.872 0.00 . 493 282 282 GLN H H 9.333 0.00 . 494 282 282 GLN N N 125.139 0.00 . 495 283 283 ALA H H 8.243 0.00 . 496 283 283 ALA N N 126.993 0.00 . 497 284 284 LEU H H 8.429 0.00 . 498 284 284 LEU N N 123.393 0.00 . stop_ save_