data_27128 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Voltage-dependent anion channel - VDAC E73V mutant ; _BMRB_accession_number 27128 _BMRB_flat_file_name bmr27128.str _Entry_type original _Submission_date 2017-06-07 _Accession_date 2017-06-07 _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 Boehm Raphael . . 2 Hiller Sebastian . . 3 Wagner Gerhard . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 259 "13C chemical shifts" 470 "15N chemical shifts" 259 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-08-15 update BMRB 'update entry citation' 2019-11-22 original author 'original release' stop_ _Original_release_date 2017-06-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The Structural Basis for Low Conductance in the Membrane Protein VDAC upon beta-NADH Binding and Voltage Gating ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31862297 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Boehm R. . . 2 Hiller S. . . 3 Amodeo G. F. . 4 Murlidaran S. . . 5 Chavali S. . . 6 Wagner G. . . 7 Brannigan G. . . 8 Winterhalter M. . . stop_ _Journal_abbreviation Structure _Journal_name_full 'Structure (London, England : 1993)' _Journal_volume 28 _Journal_issue 2 _Journal_ISSN 1878-4186 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 206 _Page_last 214 _Year 2020 _Details . loop_ _Keyword Gating-mechanism VDAC dynamics 'membrane protein' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name VDAC-1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label VDAC-1 $VDAC-1 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_VDAC-1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common VDAC-1 _Molecular_mass 31800 _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-1 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 $VDAC-1 'recombinant technology' . Escherichia coli . pET21a 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 $VDAC-1 0.6 mM '[U-13C; U-15N; U-2H]' LDAO 3 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Rochus Keller' . . 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_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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' 225 . mM pH 6.8 . pH pressure 1 . atm temperature 303 . 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 DSS P 31 'methyl protons' ppm 0.00 na indirect . . . 0.404808636 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 HNCA' '3D HNCACB' 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-1 _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 7.429 0.020 . 2 6 6 THR CA C 60.091 0.300 . 3 6 6 THR CB C 69.622 0.300 . 4 6 6 THR N N 106.437 0.300 . 5 7 7 TYR H H 7.662 0.020 . 6 7 7 TYR CA C 61.888 0.300 . 7 7 7 TYR CB C 38.995 0.300 . 8 7 7 TYR N N 122.692 0.300 . 9 8 8 ALA H H 8.439 0.020 . 10 8 8 ALA CA C 53.501 0.300 . 11 8 8 ALA CB C 17.932 0.300 . 12 8 8 ALA N N 119.331 0.300 . 13 9 9 ASP H H 7.218 0.020 . 14 9 9 ASP CA C 53.467 0.300 . 15 9 9 ASP CB C 39.916 0.300 . 16 9 9 ASP N N 115.310 0.300 . 17 10 10 LEU H H 7.351 0.020 . 18 10 10 LEU CA C 55.831 0.300 . 19 10 10 LEU CB C 38.350 0.300 . 20 10 10 LEU N N 125.633 0.300 . 21 12 12 LYS H H 7.272 0.020 . 22 12 12 LYS CA C 59.425 0.300 . 23 12 12 LYS CB C 32.212 0.300 . 24 12 12 LYS N N 122.682 0.300 . 25 13 13 SER H H 8.132 0.020 . 26 13 13 SER CA C 62.621 0.300 . 27 13 13 SER N N 115.479 0.300 . 28 14 14 ALA H H 8.302 0.020 . 29 14 14 ALA CA C 54.798 0.300 . 30 14 14 ALA N N 122.053 0.300 . 31 15 15 ARG H H 7.287 0.020 . 32 15 15 ARG CA C 59.625 0.300 . 33 15 15 ARG CB C 29.456 0.300 . 34 15 15 ARG N N 117.436 0.300 . 35 16 16 ASP H H 9.028 0.020 . 36 16 16 ASP CA C 56.862 0.300 . 37 16 16 ASP CB C 38.976 0.300 . 38 16 16 ASP N N 122.203 0.300 . 39 17 17 VAL H H 7.474 0.020 . 40 17 17 VAL CA C 66.229 0.300 . 41 17 17 VAL N N 120.336 0.300 . 42 18 18 PHE H H 7.549 0.020 . 43 18 18 PHE CA C 62.221 0.300 . 44 18 18 PHE N N 116.441 0.300 . 45 21 21 GLY H H 8.280 0.020 . 46 21 21 GLY CA C 44.148 0.300 . 47 21 21 GLY N N 109.011 0.300 . 48 22 22 TYR H H 6.614 0.020 . 49 22 22 TYR CA C 55.731 0.300 . 50 22 22 TYR CB C 38.976 0.300 . 51 22 22 TYR N N 113.844 0.300 . 52 23 23 GLY H H 7.580 0.020 . 53 23 23 GLY CA C 45.192 0.300 . 54 23 23 GLY N N 111.587 0.300 . 55 24 24 PHE H H 7.099 0.020 . 56 24 24 PHE CA C 56.097 0.300 . 57 24 24 PHE CB C 37.786 0.300 . 58 24 24 PHE N N 120.304 0.300 . 59 25 25 GLY H H 8.112 0.020 . 60 25 25 GLY CA C 45.180 0.300 . 61 25 25 GLY N N 110.293 0.300 . 62 26 26 LEU H H 7.471 0.020 . 63 26 26 LEU CA C 52.968 0.300 . 64 26 26 LEU CB C 45.615 0.300 . 65 26 26 LEU N N 118.742 0.300 . 66 27 27 ILE H H 8.709 0.020 . 67 27 27 ILE CA C 59.658 0.300 . 68 27 27 ILE N N 121.053 0.300 . 69 28 28 LYS H H 8.746 0.020 . 70 28 28 LYS CA C 54.732 0.300 . 71 28 28 LYS CB C 35.845 0.300 . 72 28 28 LYS N N 126.951 0.300 . 73 29 29 LEU H H 8.703 0.020 . 74 29 29 LEU CA C 53.127 0.300 . 75 29 29 LEU CB C 45.239 0.300 . 76 29 29 LEU N N 124.188 0.300 . 77 30 30 ASP H H 8.463 0.020 . 78 30 30 ASP CA C 53.379 0.300 . 79 30 30 ASP CB C 44.926 0.300 . 80 30 30 ASP N N 123.258 0.300 . 81 31 31 LEU H H 9.061 0.020 . 82 31 31 LEU CA C 53.628 0.300 . 83 31 31 LEU CB C 44.175 0.300 . 84 31 31 LEU N N 123.809 0.300 . 85 32 32 LYS H H 8.586 0.020 . 86 32 32 LYS CA C 54.898 0.300 . 87 32 32 LYS CB C 35.344 0.300 . 88 32 32 LYS N N 125.065 0.300 . 89 33 33 THR H H 9.076 0.020 . 90 33 33 THR CA C 59.879 0.300 . 91 33 33 THR CB C 69.916 0.300 . 92 33 33 THR N N 116.194 0.300 . 93 34 34 LYS H H 8.130 0.020 . 94 34 34 LYS CA C 55.333 0.300 . 95 34 34 LYS CB C 34.905 0.300 . 96 34 34 LYS N N 123.935 0.300 . 97 35 35 SER H H 8.677 0.020 . 98 35 35 SER CA C 56.703 0.300 . 99 35 35 SER CB C 64.468 0.300 . 100 35 35 SER N N 119.814 0.300 . 101 36 36 GLU H H 9.188 0.020 . 102 36 36 GLU CA C 57.828 0.300 . 103 36 36 GLU N N 125.450 0.300 . 104 37 37 ASN H H 8.164 0.020 . 105 37 37 ASN CA C 52.735 0.300 . 106 37 37 ASN CB C 37.536 0.300 . 107 37 37 ASN N N 116.242 0.300 . 108 38 38 GLY H H 7.811 0.020 . 109 38 38 GLY CA C 44.938 0.300 . 110 38 38 GLY N N 106.512 0.300 . 111 39 39 LEU H H 7.869 0.020 . 112 39 39 LEU CA C 54.865 0.300 . 113 39 39 LEU CB C 42.672 0.300 . 114 39 39 LEU N N 122.909 0.300 . 115 40 40 GLU H H 9.039 0.020 . 116 40 40 GLU CA C 54.632 0.300 . 117 40 40 GLU CB C 32.024 0.300 . 118 40 40 GLU N N 125.107 0.300 . 119 41 41 PHE H H 8.735 0.020 . 120 41 41 PHE CA C 56.363 0.300 . 121 41 41 PHE CB C 41.857 0.300 . 122 41 41 PHE N N 124.345 0.300 . 123 42 42 THR H H 8.809 0.020 . 124 42 42 THR CA C 60.624 0.300 . 125 42 42 THR CB C 71.106 0.300 . 126 42 42 THR N N 120.583 0.300 . 127 43 43 SER H H 9.170 0.020 . 128 43 43 SER CA C 56.363 0.300 . 129 43 43 SER CB C 65.971 0.300 . 130 43 43 SER N N 120.473 0.300 . 131 44 44 SER H H 8.524 0.020 . 132 44 44 SER CA C 56.363 0.300 . 133 44 44 SER CB C 65.658 0.300 . 134 44 44 SER N N 120.527 0.300 . 135 45 45 GLY H H 9.063 0.020 . 136 45 45 GLY CA C 44.837 0.300 . 137 45 45 GLY N N 111.192 0.300 . 138 46 46 SER H H 9.046 0.020 . 139 46 46 SER CA C 56.503 0.300 . 140 46 46 SER CB C 66.033 0.300 . 141 46 46 SER N N 116.106 0.300 . 142 47 47 ALA H H 9.169 0.020 . 143 47 47 ALA CA C 49.249 0.300 . 144 47 47 ALA CB C 21.126 0.300 . 145 47 47 ALA N N 123.836 0.300 . 146 48 48 ASN H H 8.298 0.020 . 147 48 48 ASN CA C 52.559 0.300 . 148 48 48 ASN N N 122.388 0.300 . 149 53 53 LYS H H 7.536 0.020 . 150 53 53 LYS CA C 56.336 0.300 . 151 53 53 LYS CB C 32.212 0.300 . 152 53 53 LYS N N 120.633 0.300 . 153 54 54 VAL H H 8.575 0.020 . 154 54 54 VAL CA C 59.645 0.300 . 155 54 54 VAL CB C 33.339 0.300 . 156 54 54 VAL N N 125.759 0.300 . 157 55 55 THR H H 8.779 0.020 . 158 55 55 THR CA C 59.511 0.300 . 159 55 55 THR CB C 71.420 0.300 . 160 55 55 THR N N 118.798 0.300 . 161 56 56 GLY H H 8.265 0.020 . 162 56 56 GLY CA C 45.439 0.300 . 163 56 56 GLY N N 108.913 0.300 . 164 57 57 SER H H 9.036 0.020 . 165 57 57 SER CA C 57.071 0.300 . 166 57 57 SER CB C 65.971 0.300 . 167 57 57 SER N N 112.810 0.300 . 168 58 58 LEU H H 8.959 0.020 . 169 58 58 LEU CA C 53.860 0.300 . 170 58 58 LEU CB C 45.573 0.300 . 171 58 58 LEU N N 121.719 0.300 . 172 59 59 GLU H H 9.043 0.020 . 173 59 59 GLU CA C 54.632 0.300 . 174 59 59 GLU CB C 33.290 0.300 . 175 59 59 GLU N N 123.977 0.300 . 176 60 60 THR H H 9.056 0.020 . 177 60 60 THR CA C 60.514 0.300 . 178 60 60 THR CB C 70.668 0.300 . 179 60 60 THR N N 120.208 0.300 . 180 61 61 LYS H H 8.864 0.020 . 181 61 61 LYS CA C 53.962 0.300 . 182 61 61 LYS CB C 36.408 0.300 . 183 61 61 LYS N N 127.021 0.300 . 184 62 62 TYR H H 9.261 0.020 . 185 62 62 TYR CA C 56.870 0.300 . 186 62 62 TYR CB C 42.358 0.300 . 187 62 62 TYR N N 124.031 0.300 . 188 63 63 ARG H H 7.766 0.020 . 189 63 63 ARG CA C 54.230 0.300 . 190 63 63 ARG CB C 30.646 0.300 . 191 63 63 ARG N N 127.947 0.300 . 192 64 64 TRP H H 9.110 0.020 . 193 64 64 TRP CA C 52.968 0.300 . 194 64 64 TRP CB C 28.767 0.300 . 195 64 64 TRP N N 128.128 0.300 . 196 65 65 THR H H 8.378 0.020 . 197 65 65 THR CA C 66.129 0.300 . 198 65 65 THR CB C 67.934 0.300 . 199 65 65 THR N N 120.852 0.300 . 200 66 66 GLU H H 9.394 0.020 . 201 66 66 GLU CA C 58.926 0.300 . 202 66 66 GLU CB C 28.247 0.300 . 203 66 66 GLU N N 122.597 0.300 . 204 67 67 TYR H H 6.452 0.020 . 205 67 67 TYR CA C 55.634 0.300 . 206 67 67 TYR CB C 38.876 0.300 . 207 67 67 TYR N N 114.175 0.300 . 208 68 68 GLY H H 7.551 0.020 . 209 68 68 GLY CA C 46.576 0.300 . 210 68 68 GLY N N 105.689 0.300 . 211 69 69 LEU H H 7.216 0.020 . 212 69 69 LEU CA C 53.361 0.300 . 213 69 69 LEU CB C 45.553 0.300 . 214 69 69 LEU N N 120.164 0.300 . 215 70 70 THR H H 9.001 0.020 . 216 70 70 THR CA C 61.984 0.300 . 217 70 70 THR CB C 70.605 0.300 . 218 70 70 THR N N 120.237 0.300 . 219 71 71 PHE H H 9.214 0.020 . 220 71 71 PHE CA C 55.366 0.300 . 221 71 71 PHE CB C 42.045 0.300 . 222 71 71 PHE N N 127.025 0.300 . 223 72 72 THR H H 9.024 0.020 . 224 72 72 THR CA C 61.149 0.300 . 225 72 72 THR CB C 70.856 0.300 . 226 72 72 THR N N 120.585 0.300 . 227 73 73 VAL H H 8.980 0.020 . 228 73 73 VAL CA C 60.357 0.300 . 229 73 73 VAL CB C 33.590 0.300 . 230 73 73 VAL N N 125.699 0.300 . 231 74 74 LYS H H 9.122 0.020 . 232 74 74 LYS CA C 54.366 0.300 . 233 74 74 LYS CB C 35.907 0.300 . 234 74 74 LYS N N 126.103 0.300 . 235 75 75 TRP H H 9.114 0.020 . 236 75 75 TRP CA C 54.631 0.300 . 237 75 75 TRP CB C 31.832 0.300 . 238 75 75 TRP N N 124.615 0.300 . 239 76 76 ASN H H 7.841 0.020 . 240 76 76 ASN CA C 51.537 0.300 . 241 76 76 ASN CB C 40.855 0.300 . 242 76 76 ASN N N 123.271 0.300 . 243 77 77 THR H H 8.162 0.020 . 244 77 77 THR CA C 63.622 0.300 . 245 77 77 THR CB C 68.100 0.300 . 246 77 77 THR N N 108.942 0.300 . 247 78 78 ASP H H 7.640 0.020 . 248 78 78 ASP CA C 53.628 0.300 . 249 78 78 ASP CB C 39.039 0.300 . 250 78 78 ASP N N 120.972 0.300 . 251 79 79 ASN H H 8.464 0.020 . 252 79 79 ASN CA C 53.862 0.300 . 253 79 79 ASN CB C 37.223 0.300 . 254 79 79 ASN N N 114.938 0.300 . 255 80 80 THR H H 7.398 0.020 . 256 80 80 THR CA C 62.486 0.300 . 257 80 80 THR CB C 69.603 0.300 . 258 80 80 THR N N 112.715 0.300 . 259 81 81 LEU H H 8.606 0.020 . 260 81 81 LEU CA C 52.793 0.300 . 261 81 81 LEU CB C 44.425 0.300 . 262 81 81 LEU N N 127.945 0.300 . 263 82 82 GLY H H 9.397 0.020 . 264 82 82 GLY CA C 44.110 0.300 . 265 82 82 GLY N N 112.870 0.300 . 266 83 83 THR H H 8.808 0.020 . 267 83 83 THR CA C 59.377 0.300 . 268 83 83 THR CB C 71.670 0.300 . 269 83 83 THR N N 114.231 0.300 . 270 84 84 GLU H H 8.896 0.020 . 271 84 84 GLU CA C 54.300 0.300 . 272 84 84 GLU CB C 33.214 0.300 . 273 84 84 GLU N N 124.531 0.300 . 274 85 85 ILE H H 9.040 0.020 . 275 85 85 ILE CA C 59.879 0.300 . 276 85 85 ILE CB C 40.855 0.300 . 277 85 85 ILE N N 126.159 0.300 . 278 86 86 THR H H 8.967 0.020 . 279 86 86 THR CA C 60.480 0.300 . 280 86 86 THR CB C 71.608 0.300 . 281 86 86 THR N N 123.822 0.300 . 282 87 87 VAL H H 9.353 0.020 . 283 87 87 VAL CA C 59.411 0.300 . 284 87 87 VAL CB C 33.778 0.300 . 285 87 87 VAL N N 124.688 0.300 . 286 88 88 GLU H H 9.123 0.020 . 287 88 88 GLU CA C 54.999 0.300 . 288 88 88 GLU CB C 32.588 0.300 . 289 88 88 GLU N N 128.701 0.300 . 290 89 89 ASP H H 8.719 0.020 . 291 89 89 ASP CA C 56.870 0.300 . 292 89 89 ASP N N 118.297 0.300 . 293 90 90 GLN H H 7.884 0.020 . 294 90 90 GLN CA C 55.099 0.300 . 295 90 90 GLN N N 117.160 0.300 . 296 91 91 LEU H H 8.258 0.020 . 297 91 91 LEU CA C 57.994 0.300 . 298 91 91 LEU CB C 40.354 0.300 . 299 91 91 LEU N N 117.862 0.300 . 300 92 92 ALA H H 7.453 0.020 . 301 92 92 ALA CA C 50.971 0.300 . 302 92 92 ALA CB C 20.312 0.300 . 303 92 92 ALA N N 116.498 0.300 . 304 93 93 ARG H H 8.803 0.020 . 305 93 93 ARG CA C 57.495 0.300 . 306 93 93 ARG CB C 28.329 0.300 . 307 93 93 ARG N N 124.087 0.300 . 308 94 94 GLY H H 9.427 0.020 . 309 94 94 GLY CA C 44.971 0.300 . 310 94 94 GLY N N 115.566 0.300 . 311 95 95 LEU H H 7.865 0.020 . 312 95 95 LEU CA C 53.667 0.300 . 313 95 95 LEU CB C 44.363 0.300 . 314 95 95 LEU N N 122.929 0.300 . 315 96 96 LYS H H 9.631 0.020 . 316 96 96 LYS CA C 54.898 0.300 . 317 96 96 LYS CB C 35.406 0.300 . 318 96 96 LYS N N 132.433 0.300 . 319 97 97 LEU H H 8.710 0.020 . 320 97 97 LEU CA C 53.361 0.300 . 321 97 97 LEU CB C 44.989 0.300 . 322 97 97 LEU N N 127.187 0.300 . 323 98 98 THR H H 9.152 0.020 . 324 98 98 THR CA C 60.982 0.300 . 325 98 98 THR CB C 71.733 0.300 . 326 98 98 THR N N 120.453 0.300 . 327 99 99 PHE H H 9.412 0.020 . 328 99 99 PHE CA C 55.734 0.300 . 329 99 99 PHE CB C 40.667 0.300 . 330 99 99 PHE N N 126.816 0.300 . 331 100 100 ASP H H 8.702 0.020 . 332 100 100 ASP CA C 52.124 0.300 . 333 100 100 ASP CB C 44.049 0.300 . 334 100 100 ASP N N 128.771 0.300 . 335 101 101 SER H H 8.602 0.020 . 336 101 101 SER CA C 56.837 0.300 . 337 101 101 SER CB C 65.783 0.300 . 338 101 101 SER N N 118.362 0.300 . 339 102 102 SER H H 8.621 0.020 . 340 102 102 SER CA C 56.837 0.300 . 341 102 102 SER CB C 65.783 0.300 . 342 102 102 SER N N 118.401 0.300 . 343 103 103 PHE H H 9.011 0.020 . 344 103 103 PHE CA C 55.767 0.300 . 345 103 103 PHE CB C 42.045 0.300 . 346 103 103 PHE N N 121.245 0.300 . 347 104 104 SER H H 7.997 0.020 . 348 104 104 SER CA C 53.194 0.300 . 349 104 104 SER CB C 63.528 0.300 . 350 104 104 SER N N 120.094 0.300 . 351 108 108 GLY H H 8.199 0.020 . 352 108 108 GLY CA C 45.105 0.300 . 353 108 108 GLY N N 111.804 0.300 . 354 109 109 LYS H H 7.533 0.020 . 355 109 109 LYS CA C 56.436 0.300 . 356 109 109 LYS CB C 32.087 0.300 . 357 109 109 LYS N N 120.892 0.300 . 358 110 110 LYS H H 8.419 0.020 . 359 110 110 LYS CA C 54.631 0.300 . 360 110 110 LYS CB C 33.966 0.300 . 361 110 110 LYS N N 123.941 0.300 . 362 111 111 ASN H H 8.527 0.020 . 363 111 111 ASN CA C 52.502 0.300 . 364 111 111 ASN CB C 41.857 0.300 . 365 111 111 ASN N N 119.775 0.300 . 366 112 112 ALA H H 8.559 0.020 . 367 112 112 ALA CA C 51.389 0.300 . 368 112 112 ALA CB C 21.439 0.300 . 369 112 112 ALA N N 124.481 0.300 . 370 113 113 LYS H H 9.013 0.020 . 371 113 113 LYS CA C 54.497 0.300 . 372 113 113 LYS CB C 36.471 0.300 . 373 113 113 LYS N N 119.795 0.300 . 374 114 114 ILE H H 8.797 0.020 . 375 114 114 ILE CA C 59.143 0.300 . 376 114 114 ILE CB C 40.166 0.300 . 377 114 114 ILE N N 120.701 0.300 . 378 115 115 LYS H H 9.259 0.020 . 379 115 115 LYS CA C 54.531 0.300 . 380 115 115 LYS CB C 33.715 0.300 . 381 115 115 LYS N N 126.807 0.300 . 382 116 116 THR H H 8.646 0.020 . 383 116 116 THR CA C 59.912 0.300 . 384 116 116 THR CB C 71.044 0.300 . 385 116 116 THR N N 117.194 0.300 . 386 117 117 GLY H H 9.170 0.020 . 387 117 117 GLY CA C 44.369 0.300 . 388 117 117 GLY N N 113.943 0.300 . 389 118 118 TYR H H 9.114 0.020 . 390 118 118 TYR CA C 56.402 0.300 . 391 118 118 TYR CB C 41.732 0.300 . 392 118 118 TYR N N 123.375 0.300 . 393 119 119 LYS H H 7.576 0.020 . 394 119 119 LYS CA C 52.826 0.300 . 395 119 119 LYS CB C 34.091 0.300 . 396 119 119 LYS N N 125.190 0.300 . 397 120 120 ARG H H 8.738 0.020 . 398 120 120 ARG CA C 53.628 0.300 . 399 120 120 ARG CB C 30.646 0.300 . 400 120 120 ARG N N 118.486 0.300 . 401 121 121 GLU H H 8.540 0.020 . 402 121 121 GLU CA C 59.210 0.300 . 403 121 121 GLU CB C 28.204 0.300 . 404 121 121 GLU N N 120.957 0.300 . 405 122 122 HIS H H 7.877 0.020 . 406 122 122 HIS CA C 59.110 0.300 . 407 122 122 HIS N N 112.192 0.300 . 408 123 123 ILE H H 7.988 0.020 . 409 123 123 ILE CA C 59.812 0.300 . 410 123 123 ILE CB C 41.795 0.300 . 411 123 123 ILE N N 118.460 0.300 . 412 124 124 ASN H H 8.966 0.020 . 413 124 124 ASN CA C 52.692 0.300 . 414 124 124 ASN CB C 40.605 0.300 . 415 124 124 ASN N N 125.404 0.300 . 416 125 125 LEU H H 9.445 0.020 . 417 125 125 LEU CA C 53.160 0.300 . 418 125 125 LEU CB C 45.427 0.300 . 419 125 125 LEU N N 129.076 0.300 . 420 126 126 GLY H H 9.484 0.020 . 421 126 126 GLY CA C 44.603 0.300 . 422 126 126 GLY N N 113.848 0.300 . 423 127 127 CYS H H 8.520 0.020 . 424 127 127 CYS CA C 57.961 0.300 . 425 127 127 CYS CB C 28.078 0.300 . 426 127 127 CYS N N 121.332 0.300 . 427 128 128 ASP H H 9.373 0.020 . 428 128 128 ASP CA C 52.258 0.300 . 429 128 128 ASP CB C 42.421 0.300 . 430 128 128 ASP N N 130.055 0.300 . 431 129 129 MET H H 9.397 0.020 . 432 129 129 MET CA C 54.233 0.300 . 433 129 129 MET CB C 35.406 0.300 . 434 129 129 MET N N 123.006 0.300 . 435 130 130 ASP H H 8.517 0.020 . 436 130 130 ASP CA C 52.625 0.300 . 437 130 130 ASP CB C 42.233 0.300 . 438 130 130 ASP N N 125.055 0.300 . 439 131 131 PHE H H 8.520 0.020 . 440 131 131 PHE CA C 57.639 0.300 . 441 131 131 PHE CB C 37.410 0.300 . 442 131 131 PHE N N 122.985 0.300 . 443 132 132 ASP H H 7.380 0.020 . 444 132 132 ASP CA C 53.862 0.300 . 445 132 132 ASP CB C 42.484 0.300 . 446 132 132 ASP N N 123.143 0.300 . 447 133 133 ILE H H 8.428 0.020 . 448 133 133 ILE CA C 62.887 0.300 . 449 133 133 ILE CB C 41.732 0.300 . 450 133 133 ILE N N 124.202 0.300 . 451 134 134 ALA H H 8.470 0.020 . 452 134 134 ALA CA C 52.358 0.300 . 453 134 134 ALA CB C 17.995 0.300 . 454 134 134 ALA N N 123.733 0.300 . 455 135 135 GLY H H 7.657 0.020 . 456 135 135 GLY CA C 44.269 0.300 . 457 135 135 GLY N N 106.560 0.300 . 458 137 137 SER H H 8.862 0.020 . 459 137 137 SER CA C 57.171 0.300 . 460 137 137 SER CB C 65.031 0.300 . 461 137 137 SER N N 118.710 0.300 . 462 138 138 ILE H H 9.103 0.020 . 463 138 138 ILE CA C 59.411 0.300 . 464 138 138 ILE CB C 40.605 0.300 . 465 138 138 ILE N N 122.811 0.300 . 466 139 139 ARG H H 9.036 0.020 . 467 139 139 ARG CA C 53.728 0.300 . 468 139 139 ARG CB C 31.711 0.300 . 469 139 139 ARG N N 128.694 0.300 . 470 140 140 GLY H H 8.743 0.020 . 471 140 140 GLY CA C 43.734 0.300 . 472 140 140 GLY N N 113.531 0.300 . 473 141 141 ALA H H 8.945 0.020 . 474 141 141 ALA CA C 50.754 0.300 . 475 141 141 ALA CB C 22.316 0.300 . 476 141 141 ALA N N 124.132 0.300 . 477 142 142 LEU H H 9.208 0.020 . 478 142 142 LEU CA C 53.501 0.300 . 479 142 142 LEU CB C 45.803 0.300 . 480 142 142 LEU N N 123.765 0.300 . 481 143 143 VAL H H 8.995 0.020 . 482 143 143 VAL CA C 60.614 0.300 . 483 143 143 VAL CB C 34.592 0.300 . 484 143 143 VAL N N 125.404 0.300 . 485 144 144 LEU H H 9.337 0.020 . 486 144 144 LEU CA C 51.890 0.300 . 487 144 144 LEU CB C 44.989 0.300 . 488 144 144 LEU N N 126.186 0.300 . 489 145 145 GLY H H 8.151 0.020 . 490 145 145 GLY CA C 44.603 0.300 . 491 145 145 GLY N N 105.514 0.300 . 492 146 146 TYR H H 8.519 0.020 . 493 146 146 TYR CA C 58.776 0.300 . 494 146 146 TYR CB C 41.043 0.300 . 495 146 146 TYR N N 123.206 0.300 . 496 147 147 GLU H H 9.079 0.020 . 497 147 147 GLU CA C 56.870 0.300 . 498 147 147 GLU CB C 26.700 0.300 . 499 147 147 GLU N N 126.075 0.300 . 500 148 148 GLY H H 8.103 0.020 . 501 148 148 GLY CA C 45.038 0.300 . 502 148 148 GLY N N 108.615 0.300 . 503 149 149 TRP H H 8.138 0.020 . 504 149 149 TRP CA C 57.071 0.300 . 505 149 149 TRP CB C 29.832 0.300 . 506 149 149 TRP N N 121.640 0.300 . 507 150 150 LEU H H 8.962 0.020 . 508 150 150 LEU CA C 53.327 0.300 . 509 150 150 LEU CB C 46.680 0.300 . 510 150 150 LEU N N 123.824 0.300 . 511 151 151 ALA H H 8.858 0.020 . 512 151 151 ALA CA C 50.520 0.300 . 513 151 151 ALA CB C 21.502 0.300 . 514 151 151 ALA N N 121.836 0.300 . 515 152 152 GLY H H 9.622 0.020 . 516 152 152 GLY CA C 45.105 0.300 . 517 152 152 GLY N N 107.941 0.300 . 518 153 153 TYR H H 9.197 0.020 . 519 153 153 TYR CA C 55.868 0.300 . 520 153 153 TYR CB C 43.298 0.300 . 521 153 153 TYR N N 122.221 0.300 . 522 154 154 GLN H H 8.188 0.020 . 523 154 154 GLN CA C 52.993 0.300 . 524 154 154 GLN CB C 30.897 0.300 . 525 154 154 GLN N N 128.115 0.300 . 526 155 155 MET H H 8.750 0.020 . 527 155 155 MET CA C 52.726 0.300 . 528 155 155 MET CB C 34.780 0.300 . 529 155 155 MET N N 121.499 0.300 . 530 156 156 ASN H H 7.970 0.020 . 531 156 156 ASN CA C 52.124 0.300 . 532 156 156 ASN CB C 42.233 0.300 . 533 156 156 ASN N N 119.686 0.300 . 534 157 157 PHE H H 9.547 0.020 . 535 157 157 PHE CA C 56.001 0.300 . 536 157 157 PHE CB C 41.795 0.300 . 537 157 157 PHE N N 127.679 0.300 . 538 158 158 GLU H H 8.113 0.020 . 539 158 158 GLU CA C 54.698 0.300 . 540 158 158 GLU CB C 29.707 0.300 . 541 158 158 GLU N N 127.943 0.300 . 542 159 159 THR H H 7.647 0.020 . 543 159 159 THR CA C 64.725 0.300 . 544 159 159 THR CB C 67.975 0.300 . 545 159 159 THR N N 117.059 0.300 . 546 160 160 ALA H H 9.130 0.020 . 547 160 160 ALA CA C 54.366 0.300 . 548 160 160 ALA CB C 17.995 0.300 . 549 160 160 ALA N N 125.284 0.300 . 550 162 162 SER H H 7.466 0.020 . 551 162 162 SER CA C 58.140 0.300 . 552 162 162 SER CB C 61.211 0.300 . 553 162 162 SER N N 114.769 0.300 . 554 163 163 ARG H H 6.855 0.020 . 555 163 163 ARG CA C 53.628 0.300 . 556 163 163 ARG CB C 32.964 0.300 . 557 163 163 ARG N N 115.442 0.300 . 558 164 164 VAL H H 8.818 0.020 . 559 164 164 VAL CA C 61.851 0.300 . 560 164 164 VAL CB C 31.085 0.300 . 561 164 164 VAL N N 124.566 0.300 . 562 165 165 THR H H 8.617 0.020 . 563 165 165 THR CA C 61.216 0.300 . 564 165 165 THR CB C 68.664 0.300 . 565 165 165 THR N N 119.187 0.300 . 566 166 166 GLN H H 7.438 0.020 . 567 166 166 GLN CA C 55.166 0.300 . 568 166 166 GLN CB C 31.962 0.300 . 569 166 166 GLN N N 121.189 0.300 . 570 167 167 SER H H 8.291 0.020 . 571 167 167 SER CA C 56.837 0.300 . 572 167 167 SER CB C 63.152 0.300 . 573 167 167 SER N N 118.999 0.300 . 574 168 168 ASN H H 9.127 0.020 . 575 168 168 ASN CA C 51.389 0.300 . 576 168 168 ASN CB C 41.231 0.300 . 577 168 168 ASN N N 127.614 0.300 . 578 169 169 PHE H H 8.601 0.020 . 579 169 169 PHE CA C 55.901 0.300 . 580 169 169 PHE CB C 43.799 0.300 . 581 169 169 PHE N N 118.209 0.300 . 582 170 170 ALA H H 8.813 0.020 . 583 170 170 ALA CA C 50.887 0.300 . 584 170 170 ALA CB C 23.068 0.300 . 585 170 170 ALA N N 122.648 0.300 . 586 171 171 VAL H H 8.220 0.020 . 587 171 171 VAL CA C 60.012 0.300 . 588 171 171 VAL CB C 34.968 0.300 . 589 171 171 VAL N N 117.034 0.300 . 590 172 172 GLY H H 9.447 0.020 . 591 172 172 GLY CA C 45.539 0.300 . 592 172 172 GLY N N 113.298 0.300 . 593 173 173 TYR H H 8.582 0.020 . 594 173 173 TYR CA C 56.503 0.300 . 595 173 173 TYR CB C 42.108 0.300 . 596 173 173 TYR N N 119.664 0.300 . 597 174 174 LYS H H 8.733 0.020 . 598 174 174 LYS CA C 55.299 0.300 . 599 174 174 LYS CB C 35.469 0.300 . 600 174 174 LYS N N 129.560 0.300 . 601 175 175 THR H H 8.628 0.020 . 602 175 175 THR CA C 59.326 0.300 . 603 175 175 THR CB C 71.169 0.300 . 604 175 175 THR N N 118.231 0.300 . 605 176 176 ASP H H 8.545 0.020 . 606 176 176 ASP CA C 57.095 0.300 . 607 176 176 ASP CB C 39.791 0.300 . 608 176 176 ASP N N 118.728 0.300 . 609 177 177 GLU H H 8.081 0.020 . 610 177 177 GLU CA C 56.302 0.300 . 611 177 177 GLU CB C 30.584 0.300 . 612 177 177 GLU N N 114.189 0.300 . 613 178 178 PHE H H 7.498 0.020 . 614 178 178 PHE CA C 56.035 0.300 . 615 178 178 PHE CB C 41.669 0.300 . 616 178 178 PHE N N 119.964 0.300 . 617 179 179 GLN H H 8.686 0.020 . 618 179 179 GLN CA C 53.628 0.300 . 619 179 179 GLN CB C 31.648 0.300 . 620 179 179 GLN N N 122.731 0.300 . 621 180 180 LEU H H 9.324 0.020 . 622 180 180 LEU CA C 53.294 0.300 . 623 180 180 LEU CB C 44.864 0.300 . 624 180 180 LEU N N 127.814 0.300 . 625 181 181 HIS H H 9.156 0.020 . 626 181 181 HIS CA C 55.868 0.300 . 627 181 181 HIS CB C 30.709 0.300 . 628 181 181 HIS N N 128.873 0.300 . 629 182 182 THR H H 7.759 0.020 . 630 182 182 THR CA C 59.611 0.300 . 631 182 182 THR N N 118.255 0.300 . 632 183 183 ASN H H 8.851 0.020 . 633 183 183 ASN CA C 52.926 0.300 . 634 183 183 ASN CB C 42.609 0.300 . 635 183 183 ASN N N 116.688 0.300 . 636 184 184 VAL H H 8.910 0.020 . 637 184 184 VAL CA C 59.879 0.300 . 638 184 184 VAL CB C 32.650 0.300 . 639 184 184 VAL N N 118.387 0.300 . 640 185 185 ASN H H 9.340 0.020 . 641 185 185 ASN CA C 51.121 0.300 . 642 185 185 ASN CB C 37.661 0.300 . 643 185 185 ASN N N 129.686 0.300 . 644 186 186 ASP H H 8.978 0.020 . 645 186 186 ASP CA C 55.667 0.300 . 646 186 186 ASP CB C 40.166 0.300 . 647 186 186 ASP N N 125.238 0.300 . 648 187 187 GLY H H 8.640 0.020 . 649 187 187 GLY CA C 45.874 0.300 . 650 187 187 GLY N N 105.313 0.300 . 651 188 188 THR H H 7.629 0.020 . 652 188 188 THR CA C 62.319 0.300 . 653 188 188 THR N N 109.309 0.300 . 654 189 189 GLU H H 7.632 0.020 . 655 189 189 GLU CA C 54.497 0.300 . 656 189 189 GLU CB C 30.270 0.300 . 657 189 189 GLU N N 122.986 0.300 . 658 190 190 PHE H H 8.864 0.020 . 659 190 190 PHE CA C 55.634 0.300 . 660 190 190 PHE CB C 40.542 0.300 . 661 190 190 PHE N N 125.702 0.300 . 662 191 191 GLY H H 8.539 0.020 . 663 191 191 GLY CA C 44.369 0.300 . 664 191 191 GLY N N 110.673 0.300 . 665 192 192 GLY H H 8.604 0.020 . 666 192 192 GLY CA C 45.372 0.300 . 667 192 192 GLY N N 105.694 0.300 . 668 193 193 SER H H 9.763 0.020 . 669 193 193 SER CA C 55.968 0.300 . 670 193 193 SER CB C 66.472 0.300 . 671 193 193 SER N N 114.693 0.300 . 672 194 194 ILE H H 8.796 0.020 . 673 194 194 ILE CA C 59.411 0.300 . 674 194 194 ILE CB C 41.356 0.300 . 675 194 194 ILE N N 119.044 0.300 . 676 195 195 TYR H H 8.770 0.020 . 677 195 195 TYR CA C 55.466 0.300 . 678 195 195 TYR CB C 42.108 0.300 . 679 195 195 TYR N N 127.565 0.300 . 680 196 196 GLN H H 8.254 0.020 . 681 196 196 GLN CA C 53.494 0.300 . 682 196 196 GLN CB C 31.523 0.300 . 683 196 196 GLN N N 125.686 0.300 . 684 197 197 LYS H H 8.931 0.020 . 685 197 197 LYS CA C 55.634 0.300 . 686 197 197 LYS CB C 30.959 0.300 . 687 197 197 LYS N N 130.688 0.300 . 688 198 198 VAL H H 8.606 0.020 . 689 198 198 VAL CA C 64.859 0.300 . 690 198 198 VAL N N 131.304 0.300 . 691 199 199 ASN H H 8.152 0.020 . 692 199 199 ASN CA C 51.888 0.300 . 693 199 199 ASN N N 113.698 0.300 . 694 202 202 LEU H H 7.531 0.020 . 695 202 202 LEU CA C 53.929 0.300 . 696 202 202 LEU CB C 44.237 0.300 . 697 202 202 LEU N N 122.216 0.300 . 698 203 203 GLU H H 8.833 0.020 . 699 203 203 GLU CA C 53.996 0.300 . 700 203 203 GLU CB C 33.653 0.300 . 701 203 203 GLU N N 125.702 0.300 . 702 204 204 THR H H 8.365 0.020 . 703 204 204 THR CA C 59.210 0.300 . 704 204 204 THR CB C 72.422 0.300 . 705 204 204 THR N N 112.280 0.300 . 706 205 205 ALA H H 9.022 0.020 . 707 205 205 ALA CA C 50.653 0.300 . 708 205 205 ALA CB C 23.318 0.300 . 709 205 205 ALA N N 122.694 0.300 . 710 206 206 VAL H H 8.952 0.020 . 711 206 206 VAL CA C 59.277 0.300 . 712 206 206 VAL CB C 35.406 0.300 . 713 206 206 VAL N N 116.936 0.300 . 714 207 207 ASN H H 8.876 0.020 . 715 207 207 ASN CA C 51.823 0.300 . 716 207 207 ASN CB C 41.920 0.300 . 717 207 207 ASN N N 122.683 0.300 . 718 208 208 LEU H H 8.661 0.020 . 719 208 208 LEU CA C 54.029 0.300 . 720 208 208 LEU CB C 45.615 0.300 . 721 208 208 LEU N N 121.195 0.300 . 722 209 209 ALA H H 9.181 0.020 . 723 209 209 ALA CA C 51.756 0.300 . 724 209 209 ALA CB C 22.003 0.300 . 725 209 209 ALA N N 126.445 0.300 . 726 210 210 TRP H H 8.992 0.020 . 727 210 210 TRP CA C 57.405 0.300 . 728 210 210 TRP CB C 31.586 0.300 . 729 210 210 TRP N N 121.484 0.300 . 730 211 211 THR H H 8.522 0.020 . 731 211 211 THR CA C 60.258 0.300 . 732 211 211 THR CB C 70.605 0.300 . 733 211 211 THR N N 120.924 0.300 . 734 212 212 ALA H H 8.661 0.020 . 735 212 212 ALA CA C 53.093 0.300 . 736 212 212 ALA CB C 17.932 0.300 . 737 212 212 ALA N N 127.189 0.300 . 738 213 213 GLY H H 8.372 0.020 . 739 213 213 GLY CA C 44.871 0.300 . 740 213 213 GLY N N 110.188 0.300 . 741 214 214 ASN H H 7.955 0.020 . 742 214 214 ASN CA C 52.124 0.300 . 743 214 214 ASN CB C 39.289 0.300 . 744 214 214 ASN N N 119.352 0.300 . 745 216 216 ASN H H 8.390 0.020 . 746 216 216 ASN CA C 52.902 0.300 . 747 216 216 ASN CB C 38.663 0.300 . 748 216 216 ASN N N 120.536 0.300 . 749 217 217 THR H H 8.377 0.020 . 750 217 217 THR CA C 62.486 0.300 . 751 217 217 THR CB C 69.603 0.300 . 752 217 217 THR N N 119.565 0.300 . 753 218 218 ARG H H 9.020 0.020 . 754 218 218 ARG CA C 54.831 0.300 . 755 218 218 ARG CB C 30.709 0.300 . 756 218 218 ARG N N 125.879 0.300 . 757 219 219 PHE H H 8.032 0.020 . 758 219 219 PHE CA C 55.767 0.300 . 759 219 219 PHE CB C 41.669 0.300 . 760 219 219 PHE N N 119.000 0.300 . 761 220 220 GLY H H 8.554 0.020 . 762 220 220 GLY CA C 44.971 0.300 . 763 220 220 GLY N N 107.622 0.300 . 764 221 221 ILE H H 8.798 0.020 . 765 221 221 ILE CA C 59.411 0.300 . 766 221 221 ILE CB C 41.294 0.300 . 767 221 221 ILE N N 118.717 0.300 . 768 222 222 ALA H H 8.851 0.020 . 769 222 222 ALA CA C 50.052 0.300 . 770 222 222 ALA CB C 21.753 0.300 . 771 222 222 ALA N N 126.408 0.300 . 772 223 223 ALA H H 9.192 0.020 . 773 223 223 ALA CA C 50.152 0.300 . 774 223 223 ALA CB C 22.943 0.300 . 775 223 223 ALA N N 119.433 0.300 . 776 224 224 LYS H H 8.737 0.020 . 777 224 224 LYS CA C 55.968 0.300 . 778 224 224 LYS CB C 35.845 0.300 . 779 224 224 LYS N N 122.644 0.300 . 780 225 225 TYR H H 9.860 0.020 . 781 225 225 TYR CA C 54.999 0.300 . 782 225 225 TYR CB C 41.795 0.300 . 783 225 225 TYR N N 129.119 0.300 . 784 226 226 GLN H H 9.016 0.020 . 785 226 226 GLN CA C 54.263 0.300 . 786 226 226 GLN CB C 26.638 0.300 . 787 226 226 GLN N N 131.812 0.300 . 788 227 227 ILE H H 7.795 0.020 . 789 227 227 ILE CA C 64.391 0.300 . 790 227 227 ILE N N 130.062 0.300 . 791 228 228 ASP H H 8.418 0.020 . 792 228 228 ASP CA C 52.559 0.300 . 793 228 228 ASP CB C 40.417 0.300 . 794 228 228 ASP N N 118.381 0.300 . 795 230 230 ASP H H 8.469 0.020 . 796 230 230 ASP CA C 53.494 0.300 . 797 230 230 ASP CB C 42.484 0.300 . 798 230 230 ASP N N 114.187 0.300 . 799 231 231 ALA H H 7.637 0.020 . 800 231 231 ALA CA C 51.522 0.300 . 801 231 231 ALA CB C 22.128 0.300 . 802 231 231 ALA N N 124.271 0.300 . 803 232 232 CYS H H 8.443 0.020 . 804 232 232 CYS CA C 55.864 0.300 . 805 232 232 CYS CB C 30.020 0.300 . 806 232 232 CYS N N 119.221 0.300 . 807 233 233 PHE H H 9.224 0.020 . 808 233 233 PHE CA C 55.400 0.300 . 809 233 233 PHE CB C 43.110 0.300 . 810 233 233 PHE N N 127.928 0.300 . 811 234 234 SER H H 9.323 0.020 . 812 234 234 SER CA C 57.129 0.300 . 813 234 234 SER CB C 64.655 0.300 . 814 234 234 SER N N 124.756 0.300 . 815 235 235 ALA H H 8.014 0.020 . 816 235 235 ALA CA C 50.620 0.300 . 817 235 235 ALA CB C 22.567 0.300 . 818 235 235 ALA N N 122.816 0.300 . 819 236 236 LYS H H 9.027 0.020 . 820 236 236 LYS CA C 54.531 0.300 . 821 236 236 LYS CB C 35.594 0.300 . 822 236 236 LYS N N 114.932 0.300 . 823 237 237 VAL H H 8.945 0.020 . 824 237 237 VAL CA C 59.344 0.300 . 825 237 237 VAL CB C 34.028 0.300 . 826 237 237 VAL N N 117.018 0.300 . 827 238 238 ASN H H 7.532 0.020 . 828 238 238 ASN CA C 50.620 0.300 . 829 238 238 ASN CB C 40.855 0.300 . 830 238 238 ASN N N 122.654 0.300 . 831 239 239 ASN H H 8.433 0.020 . 832 239 239 ASN CA C 54.765 0.300 . 833 239 239 ASN CB C 36.659 0.300 . 834 239 239 ASN N N 113.571 0.300 . 835 240 240 SER H H 7.795 0.020 . 836 240 240 SER CA C 58.107 0.300 . 837 240 240 SER CB C 62.526 0.300 . 838 240 240 SER N N 117.242 0.300 . 839 241 241 SER H H 8.144 0.020 . 840 241 241 SER CA C 59.511 0.300 . 841 241 241 SER N N 109.569 0.300 . 842 242 242 LEU H H 7.305 0.020 . 843 242 242 LEU CA C 53.595 0.300 . 844 242 242 LEU CB C 40.166 0.300 . 845 242 242 LEU N N 118.664 0.300 . 846 243 243 ILE H H 9.062 0.020 . 847 243 243 ILE CA C 59.344 0.300 . 848 243 243 ILE CB C 40.166 0.300 . 849 243 243 ILE N N 126.943 0.300 . 850 244 244 GLY H H 9.282 0.020 . 851 244 244 GLY CA C 43.935 0.300 . 852 244 244 GLY N N 114.807 0.300 . 853 245 245 LEU H H 9.378 0.020 . 854 245 245 LEU CA C 53.101 0.300 . 855 245 245 LEU CB C 46.179 0.300 . 856 245 245 LEU N N 122.361 0.300 . 857 246 246 GLY H H 9.188 0.020 . 858 246 246 GLY CA C 44.470 0.300 . 859 246 246 GLY N N 110.809 0.300 . 860 247 247 TYR H H 9.093 0.020 . 861 247 247 TYR CA C 55.968 0.300 . 862 247 247 TYR CB C 42.546 0.300 . 863 247 247 TYR N N 125.708 0.300 . 864 248 248 THR H H 8.377 0.020 . 865 248 248 THR CA C 60.647 0.300 . 866 248 248 THR CB C 71.169 0.300 . 867 248 248 THR N N 124.518 0.300 . 868 249 249 GLN H H 9.089 0.020 . 869 249 249 GLN CA C 52.224 0.300 . 870 249 249 GLN CB C 32.588 0.300 . 871 249 249 GLN N N 126.623 0.300 . 872 251 251 LEU H H 9.374 0.020 . 873 251 251 LEU CA C 53.093 0.300 . 874 251 251 LEU CB C 42.985 0.300 . 875 251 251 LEU N N 128.684 0.300 . 876 254 254 GLY H H 8.523 0.020 . 877 254 254 GLY CA C 47.010 0.300 . 878 254 254 GLY N N 110.575 0.300 . 879 255 255 ILE H H 8.141 0.020 . 880 255 255 ILE CA C 59.745 0.300 . 881 255 255 ILE CB C 39.039 0.300 . 882 255 255 ILE N N 121.254 0.300 . 883 256 256 LYS H H 8.750 0.020 . 884 256 256 LYS CA C 54.597 0.300 . 885 256 256 LYS N N 126.814 0.300 . 886 257 257 LEU H H 8.807 0.020 . 887 257 257 LEU CA C 52.859 0.300 . 888 257 257 LEU CB C 45.553 0.300 . 889 257 257 LEU N N 127.749 0.300 . 890 258 258 THR H H 9.466 0.020 . 891 258 258 THR CA C 61.090 0.300 . 892 258 258 THR CB C 71.232 0.300 . 893 258 258 THR N N 121.645 0.300 . 894 259 259 LEU H H 9.220 0.020 . 895 259 259 LEU CA C 52.859 0.300 . 896 259 259 LEU CB C 44.864 0.300 . 897 259 259 LEU N N 129.394 0.300 . 898 260 260 SER H H 8.815 0.020 . 899 260 260 SER CA C 56.603 0.300 . 900 260 260 SER CB C 66.284 0.300 . 901 260 260 SER N N 115.486 0.300 . 902 261 261 ALA H H 9.539 0.020 . 903 261 261 ALA CA C 50.988 0.300 . 904 261 261 ALA CB C 22.316 0.300 . 905 261 261 ALA N N 120.709 0.300 . 906 262 262 LEU H H 8.724 0.020 . 907 262 262 LEU CA C 52.258 0.300 . 908 262 262 LEU CB C 42.233 0.300 . 909 262 262 LEU N N 124.910 0.300 . 910 263 263 LEU H H 9.501 0.020 . 911 263 263 LEU CA C 52.091 0.300 . 912 263 263 LEU CB C 43.047 0.300 . 913 263 263 LEU N N 126.237 0.300 . 914 264 264 ASP H H 9.939 0.020 . 915 264 264 ASP CA C 52.124 0.300 . 916 264 264 ASP CB C 39.352 0.300 . 917 264 264 ASP N N 124.863 0.300 . 918 265 265 GLY H H 8.445 0.020 . 919 265 265 GLY CA C 45.840 0.300 . 920 265 265 GLY N N 112.518 0.300 . 921 266 266 LYS H H 8.119 0.020 . 922 266 266 LYS CA C 56.737 0.300 . 923 266 266 LYS CB C 30.959 0.300 . 924 266 266 LYS N N 117.326 0.300 . 925 267 267 ASN H H 7.393 0.020 . 926 267 267 ASN CA C 51.623 0.300 . 927 267 267 ASN CB C 37.724 0.300 . 928 267 267 ASN N N 117.523 0.300 . 929 268 268 VAL H H 8.540 0.020 . 930 268 268 VAL CA C 64.993 0.300 . 931 268 268 VAL CB C 30.897 0.300 . 932 268 268 VAL N N 122.308 0.300 . 933 269 269 ASN H H 8.335 0.020 . 934 269 269 ASN CA C 54.363 0.300 . 935 269 269 ASN CB C 37.974 0.300 . 936 269 269 ASN N N 117.055 0.300 . 937 270 270 ALA H H 7.480 0.020 . 938 270 270 ALA CA C 51.456 0.300 . 939 270 270 ALA CB C 18.496 0.300 . 940 270 270 ALA N N 120.649 0.300 . 941 271 271 GLY H H 7.639 0.020 . 942 271 271 GLY CA C 44.637 0.300 . 943 271 271 GLY N N 107.058 0.300 . 944 272 272 GLY H H 8.574 0.020 . 945 272 272 GLY CA C 45.439 0.300 . 946 272 272 GLY N N 109.435 0.300 . 947 273 273 HIS H H 7.227 0.020 . 948 273 273 HIS CA C 54.363 0.300 . 949 273 273 HIS CB C 30.772 0.300 . 950 273 273 HIS N N 120.910 0.300 . 951 274 274 LYS H H 8.903 0.020 . 952 274 274 LYS CA C 54.731 0.300 . 953 274 274 LYS CB C 36.534 0.300 . 954 274 274 LYS N N 119.527 0.300 . 955 275 275 LEU H H 8.647 0.020 . 956 275 275 LEU CA C 53.361 0.300 . 957 275 275 LEU CB C 45.490 0.300 . 958 275 275 LEU N N 121.477 0.300 . 959 276 276 GLY H H 9.092 0.020 . 960 276 276 GLY CA C 44.904 0.300 . 961 276 276 GLY N N 111.209 0.300 . 962 277 277 LEU H H 8.215 0.020 . 963 277 277 LEU CA C 53.662 0.300 . 964 277 277 LEU CB C 46.179 0.300 . 965 277 277 LEU N N 121.043 0.300 . 966 278 278 GLY H H 9.584 0.020 . 967 278 278 GLY CA C 44.202 0.300 . 968 278 278 GLY N N 116.053 0.300 . 969 279 279 LEU H H 8.677 0.020 . 970 279 279 LEU CA C 53.127 0.300 . 971 279 279 LEU CB C 45.177 0.300 . 972 279 279 LEU N N 124.880 0.300 . 973 280 280 GLU H H 8.664 0.020 . 974 280 280 GLU CA C 54.765 0.300 . 975 280 280 GLU CB C 31.210 0.300 . 976 280 280 GLU N N 124.555 0.300 . 977 282 282 GLN H H 9.142 0.020 . 978 282 282 GLN CA C 53.762 0.300 . 979 282 282 GLN CB C 30.646 0.300 . 980 282 282 GLN N N 124.681 0.300 . 981 283 283 ALA H H 8.311 0.020 . 982 283 283 ALA CA C 50.921 0.300 . 983 283 283 ALA CB C 18.809 0.300 . 984 283 283 ALA N N 126.800 0.300 . 985 284 284 LEU H H 8.330 0.020 . 986 284 284 LEU CA C 53.734 0.300 . 987 284 284 LEU CB C 41.769 0.300 . 988 284 284 LEU N N 123.860 0.300 . stop_ save_