data_34457 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Refined solution NMR structure of hVDAC-1 in detergent micelles ; _BMRB_accession_number 34457 _BMRB_flat_file_name bmr34457.str _Entry_type original _Submission_date 2019-11-22 _Accession_date 2019-11-22 _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 R. . . 2 Hiller S. . . 3 Wagner G. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 340 "13C chemical shifts" 739 "15N chemical shifts" 255 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-08-15 update BMRB 'update entry citation' 2019-12-02 original author 'original release' stop_ _Original_release_date 2019-11-27 save_ ############################# # Citation for this entry # ############################# save_citation_1 _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 . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Voltage-dependent anion-selective channel protein 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 31878.662 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 291 _Mol_residue_sequence ; MAVPPTYADLGKSARDVFTK GYGFGLIKLDLKTKSENGLE FTSSGSANTETTKVTGSLET KYRWTEYGLTFTEKWNTDNT 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 GLU 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 _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens 'VDAC1, VDAC' 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 $entity_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type micelle _Details '0.6 mM U-99%-2H,13C,15N hVDAC-1, 3 % no LDAO, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.6 mM '[U-99%-2H; U-13C; U-15N]' LDAO 3 % no stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type micelle _Details '0.6 mM [ U -99%- 2 H, 13 C, 15 N; 99%- 1 H delta -IL; 99%- 1 H gamma -V] hVDAC-1, 3 % [U-99% 2H] LDAO, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.6 mM '[U-99%-2H, 13C, 15N; 99%-1H delta-IL; 99%-1H gamma-V]' LDAO 3 % '[U-99% 2H]' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type micelle _Details ; 0.6 mM [ U -99%- 2 H, 15 N; 99%- 1 H delta , 13 C delta -IL; 99%- 1 H gamma , 13 C gamma -V] hVDAC-1, 3 % [U-99% 2H] LDAO, 95% H2O/5% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.6 mM '[U-99%-2H, 15N; 99%-1H delta, 13C delta-IL; 99%-1H gamma, 13C gamma-V]' LDAO 3 % '[U-99% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 save_ save_4D_NUS-MDD-1H-13C-13C_3 _Saveframe_category NMR_applied_experiment _Experiment_name '4D NUS-MDD-1H-13C-13C' _Sample_label $sample_2 save_ save_4D_NUS-MDD-1H-15N-13C_4 _Saveframe_category NMR_applied_experiment _Experiment_name '4D NUS-MDD-1H-15N-13C' _Sample_label $sample_3 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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 6.5 . pH pressure 1 . atm temperature 303.15 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' '4D NUS-MDD-1H-13C-13C' '4D NUS-MDD-1H-15N-13C' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' stop_ loop_ _Sample_label $sample_2 $sample_3 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_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 3 3 VAL HG1 H 0.712 0.020 2 2 3 3 VAL HG2 H 0.568 0.020 2 3 3 3 VAL CA C 59.621 0.300 1 4 3 3 VAL CB C 31.400 0.300 1 5 3 3 VAL CG1 C 18.056 0.300 2 6 3 3 VAL CG2 C 18.006 0.300 2 7 5 5 PRO C C 174.195 0.300 1 8 5 5 PRO CA C 61.283 0.300 1 9 5 5 PRO CB C 31.216 0.300 1 10 6 6 THR H H 7.428 0.020 1 11 6 6 THR C C 176.031 0.300 1 12 6 6 THR CA C 60.359 0.300 1 13 6 6 THR CB C 69.526 0.300 1 14 6 6 THR N N 106.325 0.300 1 15 7 7 TYR H H 7.619 0.020 1 16 7 7 TYR CA C 62.151 0.300 1 17 7 7 TYR CB C 39.175 0.300 1 18 7 7 TYR N N 122.528 0.300 1 19 8 8 ALA H H 8.409 0.020 1 20 8 8 ALA C C 177.574 0.300 1 21 8 8 ALA CA C 53.768 0.300 1 22 8 8 ALA CB C 17.929 0.300 1 23 8 8 ALA N N 119.206 0.300 1 24 9 9 ASP H H 7.199 0.020 1 25 9 9 ASP C C 177.383 0.300 1 26 9 9 ASP CA C 53.820 0.300 1 27 9 9 ASP CB C 40.157 0.300 1 28 9 9 ASP N N 115.211 0.300 1 29 10 10 LEU H H 7.338 0.020 1 30 10 10 LEU HD1 H 0.229 0.020 2 31 10 10 LEU HD2 H 0.503 0.020 2 32 10 10 LEU CA C 56.156 0.300 1 33 10 10 LEU CB C 38.590 0.300 1 34 10 10 LEU CD1 C 22.881 0.300 2 35 10 10 LEU CD2 C 21.062 0.300 2 36 10 10 LEU N N 125.538 0.300 1 37 12 12 LYS H H 7.262 0.020 1 38 12 12 LYS CA C 59.696 0.300 1 39 12 12 LYS CB C 32.219 0.300 1 40 12 12 LYS N N 122.669 0.300 1 41 13 13 SER H H 8.097 0.020 1 42 13 13 SER CA C 63.034 0.300 1 43 13 13 SER N N 115.440 0.300 1 44 14 14 ALA H H 8.302 0.020 1 45 14 14 ALA CA C 55.068 0.300 1 46 14 14 ALA CB C 17.727 0.300 1 47 14 14 ALA N N 121.987 0.300 1 48 15 15 ARG H H 7.259 0.020 1 49 15 15 ARG CA C 59.885 0.300 1 50 15 15 ARG CB C 29.530 0.300 1 51 15 15 ARG N N 117.309 0.300 1 52 16 16 ASP H H 9.026 0.020 1 53 16 16 ASP CA C 57.185 0.300 1 54 16 16 ASP CB C 38.881 0.300 1 55 16 16 ASP N N 122.156 0.300 1 56 17 17 VAL H H 7.460 0.020 1 57 17 17 VAL CA C 66.623 0.300 1 58 17 17 VAL N N 120.509 0.300 1 59 18 18 PHE H H 7.536 0.020 1 60 18 18 PHE CA C 62.432 0.300 1 61 18 18 PHE N N 116.461 0.300 1 62 21 21 GLY H H 8.230 0.020 1 63 21 21 GLY C C 171.683 0.300 1 64 21 21 GLY CA C 44.426 0.300 1 65 21 21 GLY N N 107.310 0.300 1 66 22 22 TYR H H 6.567 0.020 1 67 22 22 TYR CA C 55.945 0.300 1 68 22 22 TYR CB C 39.243 0.300 1 69 22 22 TYR N N 113.634 0.300 1 70 23 23 GLY H H 7.824 0.020 1 71 23 23 GLY CA C 45.433 0.300 1 72 23 23 GLY N N 113.759 0.300 1 73 24 24 PHE H H 7.100 0.020 1 74 24 24 PHE C C 177.026 0.300 1 75 24 24 PHE CA C 56.420 0.300 1 76 24 24 PHE CB C 37.961 0.300 1 77 24 24 PHE N N 120.484 0.300 1 78 25 25 GLY H H 8.109 0.020 1 79 25 25 GLY C C 172.741 0.300 1 80 25 25 GLY CA C 45.465 0.300 1 81 25 25 GLY N N 110.307 0.300 1 82 26 26 LEU H H 7.461 0.020 1 83 26 26 LEU HD1 H 0.602 0.020 2 84 26 26 LEU HD2 H 0.706 0.020 2 85 26 26 LEU CA C 53.241 0.300 1 86 26 26 LEU CB C 45.785 0.300 1 87 26 26 LEU CD1 C 23.291 0.300 2 88 26 26 LEU CD2 C 20.698 0.300 2 89 26 26 LEU N N 118.439 0.300 1 90 27 27 ILE H H 8.633 0.020 1 91 27 27 ILE HD1 H 0.719 0.020 1 92 27 27 ILE C C 175.049 0.300 1 93 27 27 ILE CA C 59.854 0.300 1 94 27 27 ILE CB C 37.961 0.300 1 95 27 27 ILE CG1 C 26.739 0.300 1 96 27 27 ILE CD1 C 10.743 0.300 1 97 27 27 ILE N N 120.906 0.300 1 98 28 28 LYS H H 8.729 0.020 1 99 28 28 LYS C C 173.902 0.300 1 100 28 28 LYS CA C 55.057 0.300 1 101 28 28 LYS CB C 36.005 0.300 1 102 28 28 LYS N N 126.830 0.300 1 103 29 29 LEU H H 8.654 0.020 1 104 29 29 LEU HD1 H 0.770 0.020 2 105 29 29 LEU HD2 H 0.745 0.020 2 106 29 29 LEU C C 174.310 0.300 1 107 29 29 LEU CA C 53.467 0.300 1 108 29 29 LEU CB C 45.380 0.300 1 109 29 29 LEU CD1 C 22.467 0.300 2 110 29 29 LEU CD2 C 22.973 0.300 2 111 29 29 LEU N N 123.829 0.300 1 112 30 30 ASP H H 8.408 0.020 1 113 30 30 ASP C C 173.787 0.300 1 114 30 30 ASP CA C 53.879 0.300 1 115 30 30 ASP CB C 45.119 0.300 1 116 30 30 ASP N N 123.377 0.300 1 117 31 31 LEU H H 9.073 0.020 1 118 31 31 LEU HD1 H 0.722 0.020 2 119 31 31 LEU HD2 H 0.705 0.020 2 120 31 31 LEU C C 175.075 0.300 1 121 31 31 LEU CA C 53.990 0.300 1 122 31 31 LEU CB C 44.503 0.300 1 123 31 31 LEU CD1 C 23.430 0.300 2 124 31 31 LEU CD2 C 23.003 0.300 2 125 31 31 LEU N N 123.569 0.300 1 126 32 32 LYS H H 8.496 0.020 1 127 32 32 LYS CA C 55.320 0.300 1 128 32 32 LYS CB C 35.533 0.300 1 129 32 32 LYS N N 125.399 0.300 1 130 33 33 THR H H 8.996 0.020 1 131 33 33 THR C C 172.690 0.300 1 132 33 33 THR CA C 60.198 0.300 1 133 33 33 THR CB C 70.185 0.300 1 134 33 33 THR N N 116.002 0.300 1 135 34 34 LYS H H 8.197 0.020 1 136 34 34 LYS CA C 55.403 0.300 1 137 34 34 LYS CB C 34.896 0.300 1 138 34 34 LYS N N 123.175 0.300 1 139 35 35 SER H H 8.746 0.020 1 140 35 35 SER CA C 56.938 0.300 1 141 35 35 SER CB C 64.442 0.300 1 142 35 35 SER N N 119.698 0.300 1 143 38 38 GLY H H 7.872 0.020 1 144 38 38 GLY C C 173.978 0.300 1 145 38 38 GLY CA C 45.370 0.300 1 146 38 38 GLY N N 106.542 0.300 1 147 39 39 LEU H H 7.530 0.020 1 148 39 39 LEU HD1 H 0.641 0.020 2 149 39 39 LEU HD2 H 0.684 0.020 2 150 39 39 LEU CA C 55.097 0.300 1 151 39 39 LEU CB C 42.247 0.300 1 152 39 39 LEU CD1 C 22.221 0.300 2 153 39 39 LEU CD2 C 22.687 0.300 2 154 39 39 LEU N N 122.551 0.300 1 155 40 40 GLU H H 8.762 0.020 1 156 40 40 GLU CA C 54.927 0.300 1 157 40 40 GLU CB C 32.060 0.300 1 158 40 40 GLU N N 124.460 0.300 1 159 41 41 PHE H H 8.777 0.020 1 160 41 41 PHE CA C 56.349 0.300 1 161 41 41 PHE CB C 41.401 0.300 1 162 41 41 PHE N N 124.997 0.300 1 163 42 42 THR H H 8.836 0.020 1 164 42 42 THR C C 173.557 0.300 1 165 42 42 THR CA C 61.130 0.300 1 166 42 42 THR CB C 70.740 0.300 1 167 42 42 THR N N 120.200 0.300 1 168 43 43 SER H H 9.252 0.020 1 169 43 43 SER CA C 56.552 0.300 1 170 43 43 SER CB C 65.749 0.300 1 171 43 43 SER N N 121.777 0.300 1 172 44 44 SER H H 8.543 0.020 1 173 44 44 SER C C 173.175 0.300 1 174 44 44 SER CA C 56.598 0.300 1 175 44 44 SER CB C 65.345 0.300 1 176 44 44 SER N N 120.591 0.300 1 177 45 45 GLY H H 9.087 0.020 1 178 45 45 GLY C C 172.015 0.300 1 179 45 45 GLY CA C 45.244 0.300 1 180 45 45 GLY N N 111.736 0.300 1 181 46 46 SER H H 9.071 0.020 1 182 46 46 SER C C 172.155 0.300 1 183 46 46 SER CA C 56.826 0.300 1 184 46 46 SER CB C 65.884 0.300 1 185 46 46 SER N N 115.892 0.300 1 186 47 47 ALA H H 9.127 0.020 1 187 47 47 ALA C C 175.241 0.300 1 188 47 47 ALA CA C 49.589 0.300 1 189 47 47 ALA CB C 21.369 0.300 1 190 47 47 ALA N N 123.675 0.300 1 191 48 48 ASN H H 8.302 0.020 1 192 48 48 ASN CA C 52.801 0.300 1 193 48 48 ASN CB C 39.377 0.300 1 194 48 48 ASN N N 122.510 0.300 1 195 53 53 LYS H H 7.500 0.020 1 196 53 53 LYS C C 176.669 0.300 1 197 53 53 LYS CA C 56.590 0.300 1 198 53 53 LYS CB C 32.583 0.300 1 199 53 53 LYS N N 120.444 0.300 1 200 54 54 VAL H H 8.591 0.020 1 201 54 54 VAL HG1 H 0.819 0.020 2 202 54 54 VAL HG2 H 0.879 0.020 2 203 54 54 VAL C C 175.088 0.300 1 204 54 54 VAL CA C 59.917 0.300 1 205 54 54 VAL CB C 33.628 0.300 1 206 54 54 VAL CG1 C 19.293 0.300 2 207 54 54 VAL CG2 C 18.473 0.300 2 208 54 54 VAL N N 125.563 0.300 1 209 55 55 THR H H 8.724 0.020 1 210 55 55 THR C C 172.270 0.300 1 211 55 55 THR CA C 59.947 0.300 1 212 55 55 THR CB C 71.108 0.300 1 213 55 55 THR N N 118.792 0.300 1 214 56 56 GLY H H 8.255 0.020 1 215 56 56 GLY C C 171.377 0.300 1 216 56 56 GLY CA C 45.496 0.300 1 217 56 56 GLY N N 109.713 0.300 1 218 57 57 SER H H 9.139 0.020 1 219 57 57 SER C C 172.257 0.300 1 220 57 57 SER CA C 57.344 0.300 1 221 57 57 SER CB C 65.817 0.300 1 222 57 57 SER N N 113.761 0.300 1 223 58 58 LEU H H 9.129 0.020 1 224 58 58 LEU HD1 H 0.869 0.020 2 225 58 58 LEU HD2 H 0.887 0.020 2 226 58 58 LEU C C 174.794 0.300 1 227 58 58 LEU CA C 54.264 0.300 1 228 58 58 LEU CB C 45.785 0.300 1 229 58 58 LEU CD1 C 23.551 0.300 2 230 58 58 LEU CD2 C 22.493 0.300 2 231 58 58 LEU N N 122.463 0.300 1 232 59 59 GLU H H 9.049 0.020 1 233 59 59 GLU CA C 54.751 0.300 1 234 59 59 GLU CB C 33.037 0.300 1 235 59 59 GLU N N 124.934 0.300 1 236 60 60 THR H H 9.003 0.020 1 237 60 60 THR C C 172.601 0.300 1 238 60 60 THR CA C 61.018 0.300 1 239 60 60 THR CB C 69.933 0.300 1 240 60 60 THR N N 120.550 0.300 1 241 61 61 LYS H H 8.932 0.020 1 242 61 61 LYS C C 174.029 0.300 1 243 61 61 LYS CA C 54.721 0.300 1 244 61 61 LYS CB C 36.044 0.300 1 245 61 61 LYS N N 127.114 0.300 1 246 62 62 TYR H H 9.319 0.020 1 247 62 62 TYR C C 174.182 0.300 1 248 62 62 TYR CA C 56.705 0.300 1 249 62 62 TYR CB C 41.333 0.300 1 250 62 62 TYR N N 125.337 0.300 1 251 63 63 ARG H H 8.110 0.020 1 252 63 63 ARG C C 174.488 0.300 1 253 63 63 ARG CA C 54.584 0.300 1 254 63 63 ARG CB C 32.060 0.300 1 255 63 63 ARG N N 124.441 0.300 1 256 64 64 TRP H H 8.945 0.020 1 257 64 64 TRP HE1 H 10.520 0.020 1 258 64 64 TRP CA C 54.218 0.300 1 259 64 64 TRP CB C 28.990 0.300 1 260 64 64 TRP N N 126.526 0.300 1 261 64 64 TRP NE1 N 129.728 0.300 1 262 66 66 GLU H H 9.446 0.020 1 263 66 66 GLU CA C 59.093 0.300 1 264 66 66 GLU N N 123.103 0.300 1 265 67 67 TYR H H 6.592 0.020 1 266 67 67 TYR CA C 56.172 0.300 1 267 67 67 TYR N N 114.400 0.300 1 268 68 68 GLY H H 7.537 0.020 1 269 68 68 GLY C C 175.636 0.300 1 270 68 68 GLY CA C 46.851 0.300 1 271 68 68 GLY N N 105.095 0.300 1 272 69 69 LEU H H 7.317 0.020 1 273 69 69 LEU HD1 H 0.909 0.020 2 274 69 69 LEU HD2 H 0.865 0.020 2 275 69 69 LEU CA C 53.966 0.300 1 276 69 69 LEU CB C 45.650 0.300 1 277 69 69 LEU CD1 C 23.260 0.300 2 278 69 69 LEU CD2 C 22.977 0.300 2 279 69 69 LEU N N 120.591 0.300 1 280 70 70 THR H H 9.018 0.020 1 281 70 70 THR C C 172.308 0.300 1 282 70 70 THR CA C 62.136 0.300 1 283 70 70 THR CB C 70.538 0.300 1 284 70 70 THR N N 120.598 0.300 1 285 71 71 PHE H H 9.293 0.020 1 286 71 71 PHE C C 173.710 0.300 1 287 71 71 PHE CA C 56.201 0.300 1 288 71 71 PHE CB C 42.412 0.300 1 289 71 71 PHE N N 127.888 0.300 1 290 72 72 THR H H 8.985 0.020 1 291 72 72 THR C C 172.869 0.300 1 292 72 72 THR CA C 60.988 0.300 1 293 72 72 THR CB C 70.336 0.300 1 294 72 72 THR N N 123.591 0.300 1 295 73 73 GLU H H 8.902 0.020 1 296 73 73 GLU CA C 54.533 0.300 1 297 73 73 GLU CB C 32.160 0.300 1 298 73 73 GLU N N 126.299 0.300 1 299 75 75 TRP H H 9.044 0.020 1 300 75 75 TRP HE1 H 10.408 0.020 1 301 75 75 TRP CA C 56.516 0.300 1 302 75 75 TRP CB C 32.909 0.300 1 303 75 75 TRP N N 124.823 0.300 1 304 75 75 TRP NE1 N 130.230 0.300 1 305 76 76 ASN H H 7.403 0.020 1 306 76 76 ASN CA C 51.552 0.300 1 307 76 76 ASN CB C 41.137 0.300 1 308 76 76 ASN N N 122.631 0.300 1 309 77 77 THR H H 7.984 0.020 1 310 77 77 THR C C 175.139 0.300 1 311 77 77 THR CA C 63.821 0.300 1 312 77 77 THR CB C 67.857 0.300 1 313 77 77 THR N N 108.389 0.300 1 314 78 78 ASP H H 7.754 0.020 1 315 78 78 ASP CA C 54.332 0.300 1 316 78 78 ASP CB C 39.269 0.300 1 317 78 78 ASP N N 121.511 0.300 1 318 79 79 ASN H H 8.417 0.020 1 319 79 79 ASN CA C 54.344 0.300 1 320 79 79 ASN CB C 37.088 0.300 1 321 79 79 ASN N N 114.854 0.300 1 322 80 80 THR H H 7.317 0.020 1 323 80 80 THR C C 173.404 0.300 1 324 80 80 THR CA C 63.002 0.300 1 325 80 80 THR CB C 68.919 0.300 1 326 80 80 THR N N 114.131 0.300 1 327 81 81 LEU H H 8.559 0.020 1 328 81 81 LEU HD1 H 0.917 0.020 2 329 81 81 LEU HD2 H 0.885 0.020 2 330 81 81 LEU CA C 53.476 0.300 1 331 81 81 LEU CB C 43.879 0.300 1 332 81 81 LEU CD1 C 22.799 0.300 2 333 81 81 LEU CD2 C 22.710 0.300 2 334 81 81 LEU N N 127.926 0.300 1 335 83 83 THR H H 8.726 0.020 1 336 83 83 THR CA C 61.266 0.300 1 337 83 83 THR N N 117.994 0.300 1 338 85 85 ILE H H 9.122 0.020 1 339 85 85 ILE HD1 H 0.910 0.020 1 340 85 85 ILE C C 174.322 0.300 1 341 85 85 ILE CA C 60.069 0.300 1 342 85 85 ILE CB C 41.064 0.300 1 343 85 85 ILE CD1 C 12.308 0.300 1 344 85 85 ILE N N 127.099 0.300 1 345 86 86 THR H H 9.048 0.020 1 346 86 86 THR C C 173.022 0.300 1 347 86 86 THR CA C 60.893 0.300 1 348 86 86 THR CB C 71.431 0.300 1 349 86 86 THR N N 123.545 0.300 1 350 87 87 VAL H H 9.271 0.020 1 351 87 87 VAL HG1 H 0.902 0.020 2 352 87 87 VAL HG2 H 0.930 0.020 2 353 87 87 VAL C C 174.908 0.300 1 354 87 87 VAL CA C 60.105 0.300 1 355 87 87 VAL CB C 33.712 0.300 1 356 87 87 VAL CG1 C 18.527 0.300 2 357 87 87 VAL CG2 C 18.697 0.300 2 358 87 87 VAL N N 124.114 0.300 1 359 88 88 GLU H H 9.402 0.020 1 360 88 88 GLU CA C 55.446 0.300 1 361 88 88 GLU CB C 32.975 0.300 1 362 88 88 GLU N N 129.891 0.300 1 363 89 89 ASP H H 8.659 0.020 1 364 89 89 ASP CA C 57.246 0.300 1 365 89 89 ASP N N 118.376 0.300 1 366 93 93 ARG H H 8.881 0.020 1 367 93 93 ARG C C 177.204 0.300 1 368 93 93 ARG CA C 57.793 0.300 1 369 93 93 ARG CB C 28.383 0.300 1 370 93 93 ARG N N 124.194 0.300 1 371 94 94 GLY H H 9.384 0.020 1 372 94 94 GLY C C 173.596 0.300 1 373 94 94 GLY CA C 45.243 0.300 1 374 94 94 GLY N N 115.625 0.300 1 375 95 95 LEU H H 7.886 0.020 1 376 95 95 LEU HD1 H 0.958 0.020 2 377 95 95 LEU HD2 H 0.874 0.020 2 378 95 95 LEU C C 175.228 0.300 1 379 95 95 LEU CA C 53.841 0.300 1 380 95 95 LEU CB C 44.503 0.300 1 381 95 95 LEU CD1 C 21.805 0.300 2 382 95 95 LEU CD2 C 24.379 0.300 2 383 95 95 LEU N N 122.794 0.300 1 384 96 96 LYS H H 9.699 0.020 1 385 96 96 LYS CA C 55.295 0.300 1 386 96 96 LYS CB C 35.398 0.300 1 387 96 96 LYS N N 132.790 0.300 1 388 97 97 LEU H H 8.612 0.020 1 389 97 97 LEU HD1 H 0.788 0.020 2 390 97 97 LEU HD2 H 0.764 0.020 2 391 97 97 LEU C C 174.539 0.300 1 392 97 97 LEU CA C 53.590 0.300 1 393 97 97 LEU CB C 45.185 0.300 1 394 97 97 LEU CD1 C 22.847 0.300 2 395 97 97 LEU CD2 C 21.591 0.300 2 396 97 97 LEU N N 127.269 0.300 1 397 98 98 THR H H 9.116 0.020 1 398 98 98 THR C C 172.805 0.300 1 399 98 98 THR CA C 61.264 0.300 1 400 98 98 THR CB C 71.569 0.300 1 401 98 98 THR N N 120.560 0.300 1 402 99 99 PHE H H 9.428 0.020 1 403 99 99 PHE C C 172.869 0.300 1 404 99 99 PHE CA C 55.987 0.300 1 405 99 99 PHE CB C 41.063 0.300 1 406 99 99 PHE N N 126.889 0.300 1 407 100 100 ASP H H 8.645 0.020 1 408 100 100 ASP C C 174.450 0.300 1 409 100 100 ASP CA C 52.486 0.300 1 410 100 100 ASP CB C 44.436 0.300 1 411 100 100 ASP N N 128.982 0.300 1 412 101 101 SER H H 8.704 0.020 1 413 101 101 SER CA C 56.623 0.300 1 414 101 101 SER CB C 65.412 0.300 1 415 101 101 SER N N 119.159 0.300 1 416 102 102 SER H H 8.680 0.020 1 417 102 102 SER C C 173.239 0.300 1 418 102 102 SER CA C 57.236 0.300 1 419 102 102 SER CB C 65.754 0.300 1 420 102 102 SER N N 118.622 0.300 1 421 103 103 PHE H H 8.884 0.020 1 422 103 103 PHE C C 173.302 0.300 1 423 103 103 PHE CA C 55.892 0.300 1 424 103 103 PHE CB C 42.312 0.300 1 425 103 103 PHE N N 122.515 0.300 1 426 104 104 SER H H 7.738 0.020 1 427 104 104 SER CA C 53.117 0.300 1 428 104 104 SER CB C 63.338 0.300 1 429 104 104 SER N N 120.959 0.300 1 430 108 108 GLY H H 8.581 0.020 1 431 108 108 GLY CA C 45.464 0.300 1 432 108 108 GLY N N 112.733 0.300 1 433 109 109 LYS H H 7.423 0.020 1 434 109 109 LYS C C 175.725 0.300 1 435 109 109 LYS CA C 56.625 0.300 1 436 109 109 LYS CB C 32.632 0.300 1 437 109 109 LYS N N 120.616 0.300 1 438 110 110 LYS H H 8.467 0.020 1 439 110 110 LYS CA C 54.945 0.300 1 440 110 110 LYS CB C 34.521 0.300 1 441 110 110 LYS N N 124.959 0.300 1 442 111 111 ASN H H 8.560 0.020 1 443 111 111 ASN C C 173.532 0.300 1 444 111 111 ASN CA C 52.769 0.300 1 445 111 111 ASN CB C 42.075 0.300 1 446 111 111 ASN CG C 176.475 0.300 1 447 111 111 ASN N N 120.533 0.300 1 448 111 111 ASN ND2 N 113.381 0.300 1 449 112 112 ALA H H 8.590 0.020 1 450 112 112 ALA C C 174.807 0.300 1 451 112 112 ALA CA C 51.550 0.300 1 452 112 112 ALA CB C 21.638 0.300 1 453 112 112 ALA N N 125.239 0.300 1 454 113 113 LYS H H 8.986 0.020 1 455 113 113 LYS C C 175.279 0.300 1 456 113 113 LYS CA C 54.724 0.300 1 457 113 113 LYS CB C 36.477 0.300 1 458 113 113 LYS N N 119.898 0.300 1 459 114 114 ILE H H 8.753 0.020 1 460 114 114 ILE HD1 H 0.931 0.020 1 461 114 114 ILE C C 174.794 0.300 1 462 114 114 ILE CA C 59.315 0.300 1 463 114 114 ILE CB C 40.524 0.300 1 464 114 114 ILE CG1 C 27.477 0.300 1 465 114 114 ILE CD1 C 11.639 0.300 1 466 114 114 ILE N N 120.673 0.300 1 467 115 115 LYS H H 9.246 0.020 1 468 115 115 LYS C C 175.776 0.300 1 469 115 115 LYS CA C 54.815 0.300 1 470 115 115 LYS CB C 33.914 0.300 1 471 115 115 LYS N N 126.769 0.300 1 472 116 116 THR H H 8.674 0.020 1 473 116 116 THR HG1 H 4.253 0.020 1 474 116 116 THR C C 174.437 0.300 1 475 116 116 THR CA C 60.266 0.300 1 476 116 116 THR CB C 70.875 0.300 1 477 116 116 THR N N 117.209 0.300 1 478 117 117 GLY H H 9.136 0.020 1 479 117 117 GLY C C 171.046 0.300 1 480 117 117 GLY CA C 44.546 0.300 1 481 117 117 GLY N N 113.849 0.300 1 482 118 118 TYR H H 9.134 0.020 1 483 118 118 TYR C C 172.168 0.300 1 484 118 118 TYR CA C 56.629 0.300 1 485 118 118 TYR CB C 41.805 0.300 1 486 118 118 TYR N N 123.738 0.300 1 487 119 119 LYS H H 7.628 0.020 1 488 119 119 LYS C C 173.124 0.300 1 489 119 119 LYS CA C 53.150 0.300 1 490 119 119 LYS CB C 34.454 0.300 1 491 119 119 LYS N N 125.186 0.300 1 492 120 120 ARG H H 8.700 0.020 1 493 120 120 ARG C C 174.591 0.300 1 494 120 120 ARG CA C 53.903 0.300 1 495 120 120 ARG CB C 30.950 0.300 1 496 120 120 ARG N N 118.405 0.300 1 497 121 121 GLU H H 8.502 0.020 1 498 121 121 GLU C C 177.423 0.300 1 499 121 121 GLU CA C 59.634 0.300 1 500 121 121 GLU CB C 28.339 0.300 1 501 121 121 GLU N N 120.950 0.300 1 502 122 122 HIS H H 7.846 0.020 1 503 122 122 HIS C C 173.557 0.300 1 504 122 122 HIS CA C 59.675 0.300 1 505 122 122 HIS N N 112.412 0.300 1 506 123 123 ILE H H 7.917 0.020 1 507 123 123 ILE HD1 H 0.832 0.020 1 508 123 123 ILE C C 171.862 0.300 1 509 123 123 ILE CA C 60.011 0.300 1 510 123 123 ILE CB C 41.986 0.300 1 511 123 123 ILE CD1 C 12.138 0.300 1 512 123 123 ILE N N 118.098 0.300 1 513 124 124 ASN H H 8.940 0.020 1 514 124 124 ASN C C 174.437 0.300 1 515 124 124 ASN CA C 53.028 0.300 1 516 124 124 ASN CB C 40.794 0.300 1 517 124 124 ASN N N 125.305 0.300 1 518 125 125 LEU H H 9.464 0.020 1 519 125 125 LEU HD1 H 0.886 0.020 2 520 125 125 LEU HD2 H 0.831 0.020 2 521 125 125 LEU C C 175.700 0.300 1 522 125 125 LEU CA C 53.493 0.300 1 523 125 125 LEU CB C 45.650 0.300 1 524 125 125 LEU CD1 C 22.492 0.300 2 525 125 125 LEU CD2 C 23.792 0.300 2 526 125 125 LEU N N 128.994 0.300 1 527 126 126 GLY H H 9.482 0.020 1 528 126 126 GLY C C 171.836 0.300 1 529 126 126 GLY CA C 45.000 0.300 1 530 126 126 GLY N N 113.900 0.300 1 531 127 127 CYS H H 8.512 0.020 1 532 127 127 CYS HG H 1.154 0.020 1 533 127 127 CYS C C 172.601 0.300 1 534 127 127 CYS CA C 58.185 0.300 1 535 127 127 CYS CB C 28.316 0.300 1 536 127 127 CYS N N 121.381 0.300 1 537 128 128 ASP H H 9.346 0.020 1 538 128 128 ASP C C 174.820 0.300 1 539 128 128 ASP CA C 52.648 0.300 1 540 128 128 ASP CB C 42.547 0.300 1 541 128 128 ASP N N 129.927 0.300 1 542 129 129 MET H H 9.375 0.020 1 543 129 129 MET C C 172.971 0.300 1 544 129 129 MET CA C 54.563 0.300 1 545 129 129 MET CB C 35.465 0.300 1 546 129 129 MET N N 123.238 0.300 1 547 130 130 ASP H H 8.515 0.020 1 548 130 130 ASP C C 175.967 0.300 1 549 130 130 ASP CA C 52.923 0.300 1 550 130 130 ASP CB C 42.508 0.300 1 551 130 130 ASP N N 125.029 0.300 1 552 131 131 PHE H H 8.473 0.020 1 553 131 131 PHE CA C 58.090 0.300 1 554 131 131 PHE CB C 37.758 0.300 1 555 131 131 PHE N N 122.970 0.300 1 556 132 132 ASP H H 7.393 0.020 1 557 132 132 ASP CA C 54.212 0.300 1 558 132 132 ASP CB C 41.137 0.300 1 559 132 132 ASP N N 122.962 0.300 1 560 133 133 ILE H H 8.424 0.020 1 561 133 133 ILE HD1 H 0.842 0.020 1 562 133 133 ILE C C 176.694 0.300 1 563 133 133 ILE CA C 63.160 0.300 1 564 133 133 ILE CB C 37.624 0.300 1 565 133 133 ILE CG1 C 27.034 0.300 1 566 133 133 ILE CD1 C 11.411 0.300 1 567 133 133 ILE N N 124.483 0.300 1 568 134 134 ALA H H 8.471 0.020 1 569 134 134 ALA C C 177.867 0.300 1 570 134 134 ALA CA C 52.632 0.300 1 571 134 134 ALA CB C 18.290 0.300 1 572 134 134 ALA N N 123.496 0.300 1 573 135 135 GLY H H 7.668 0.020 1 574 135 135 GLY CA C 44.716 0.300 1 575 135 135 GLY N N 106.350 0.300 1 576 136 136 PRO C C 177.000 0.300 1 577 136 136 PRO CA C 63.065 0.300 1 578 136 136 PRO CB C 32.160 0.300 1 579 137 137 SER H H 8.828 0.020 1 580 137 137 SER C C 172.601 0.300 1 581 137 137 SER CA C 57.477 0.300 1 582 137 137 SER CB C 64.996 0.300 1 583 137 137 SER N N 118.229 0.300 1 584 138 138 ILE H H 9.068 0.020 1 585 138 138 ILE HD1 H 0.710 0.020 1 586 138 138 ILE C C 173.328 0.300 1 587 138 138 ILE CA C 59.727 0.300 1 588 138 138 ILE CB C 40.847 0.300 1 589 138 138 ILE CG1 C 27.182 0.300 1 590 138 138 ILE CD1 C 12.010 0.300 1 591 138 138 ILE N N 122.532 0.300 1 592 139 139 ARG H H 9.004 0.020 1 593 139 139 ARG C C 175.904 0.300 1 594 139 139 ARG CA C 54.018 0.300 1 595 139 139 ARG CB C 31.891 0.300 1 596 139 139 ARG N N 128.538 0.300 1 597 140 140 GLY H H 8.717 0.020 1 598 140 140 GLY C C 170.689 0.300 1 599 140 140 GLY CA C 44.017 0.300 1 600 140 140 GLY N N 113.419 0.300 1 601 141 141 ALA H H 8.920 0.020 1 602 141 141 ALA C C 174.807 0.300 1 603 141 141 ALA CA C 51.070 0.300 1 604 141 141 ALA CB C 22.649 0.300 1 605 141 141 ALA N N 124.006 0.300 1 606 142 142 LEU H H 9.221 0.020 1 607 142 142 LEU HD1 H 0.849 0.020 2 608 142 142 LEU HD2 H 0.924 0.020 2 609 142 142 LEU C C 174.896 0.300 1 610 142 142 LEU CA C 53.771 0.300 1 611 142 142 LEU CB C 45.898 0.300 1 612 142 142 LEU CD1 C 24.003 0.300 2 613 142 142 LEU CD2 C 22.130 0.300 2 614 142 142 LEU N N 124.054 0.300 1 615 143 143 VAL H H 8.987 0.020 1 616 143 143 VAL HG1 H 0.813 0.020 2 617 143 143 VAL HG2 H 0.906 0.020 2 618 143 143 VAL C C 174.654 0.300 1 619 143 143 VAL CA C 61.069 0.300 1 620 143 143 VAL CB C 34.656 0.300 1 621 143 143 VAL CG1 C 20.828 0.300 2 622 143 143 VAL CG2 C 19.675 0.300 2 623 143 143 VAL N N 125.307 0.300 1 624 144 144 LEU H H 9.327 0.020 1 625 144 144 LEU HD1 H 0.990 0.020 2 626 144 144 LEU HD2 H 0.821 0.020 2 627 144 144 LEU C C 176.095 0.300 1 628 144 144 LEU CA C 52.182 0.300 1 629 144 144 LEU CB C 45.043 0.300 1 630 144 144 LEU CD1 C 21.746 0.300 2 631 144 144 LEU CD2 C 23.535 0.300 2 632 144 144 LEU N N 126.123 0.300 1 633 145 145 GLY H H 8.132 0.020 1 634 145 145 GLY C C 172.818 0.300 1 635 145 145 GLY CA C 44.835 0.300 1 636 145 145 GLY N N 105.411 0.300 1 637 146 146 TYR H H 8.449 0.020 1 638 146 146 TYR C C 173.723 0.300 1 639 146 146 TYR CA C 59.066 0.300 1 640 146 146 TYR CB C 41.266 0.300 1 641 146 146 TYR N N 122.889 0.300 1 642 147 147 GLU H H 9.067 0.020 1 643 147 147 GLU C C 175.508 0.300 1 644 147 147 GLU CA C 57.266 0.300 1 645 147 147 GLU CB C 26.899 0.300 1 646 147 147 GLU N N 125.699 0.300 1 647 148 148 GLY H H 8.065 0.020 1 648 148 148 GLY C C 173.213 0.300 1 649 148 148 GLY CA C 45.402 0.300 1 650 148 148 GLY N N 108.699 0.300 1 651 149 149 TRP H H 8.132 0.020 1 652 149 149 TRP HE1 H 10.596 0.020 1 653 149 149 TRP C C 177.319 0.300 1 654 149 149 TRP CA C 57.335 0.300 1 655 149 149 TRP CB C 30.137 0.300 1 656 149 149 TRP N N 121.513 0.300 1 657 149 149 TRP NE1 N 129.891 0.300 1 658 150 150 LEU H H 8.941 0.020 1 659 150 150 LEU HD1 H 0.565 0.020 2 660 150 150 LEU HD2 H 0.770 0.020 2 661 150 150 LEU C C 175.279 0.300 1 662 150 150 LEU CA C 53.729 0.300 1 663 150 150 LEU CB C 46.867 0.300 1 664 150 150 LEU CD1 C 24.197 0.300 2 665 150 150 LEU CD2 C 22.582 0.300 2 666 150 150 LEU N N 123.692 0.300 1 667 151 151 ALA H H 8.833 0.020 1 668 151 151 ALA C C 175.215 0.300 1 669 151 151 ALA CA C 50.894 0.300 1 670 151 151 ALA CB C 21.611 0.300 1 671 151 151 ALA N N 121.712 0.300 1 672 152 152 GLY H H 9.619 0.020 1 673 152 152 GLY C C 171.122 0.300 1 674 152 152 GLY CA C 45.441 0.300 1 675 152 152 GLY N N 107.861 0.300 1 676 153 153 TYR H H 9.184 0.020 1 677 153 153 TYR C C 171.836 0.300 1 678 153 153 TYR CA C 56.148 0.300 1 679 153 153 TYR CB C 43.492 0.300 1 680 153 153 TYR N N 122.149 0.300 1 681 154 154 GLN H H 8.190 0.020 1 682 154 154 GLN C C 172.168 0.300 1 683 154 154 GLN CA C 53.290 0.300 1 684 154 154 GLN CB C 31.351 0.300 1 685 154 154 GLN N N 128.077 0.300 1 686 155 155 MET H H 8.727 0.020 1 687 155 155 MET C C 174.157 0.300 1 688 155 155 MET CA C 53.028 0.300 1 689 155 155 MET CB C 34.993 0.300 1 690 155 155 MET N N 121.404 0.300 1 691 156 156 ASN H H 7.937 0.020 1 692 156 156 ASN C C 173.366 0.300 1 693 156 156 ASN CA C 52.395 0.300 1 694 156 156 ASN CB C 42.480 0.300 1 695 156 156 ASN N N 119.526 0.300 1 696 157 157 PHE H H 9.528 0.020 1 697 157 157 PHE C C 173.417 0.300 1 698 157 157 PHE CA C 56.358 0.300 1 699 157 157 PHE CB C 41.873 0.300 1 700 157 157 PHE N N 127.699 0.300 1 701 158 158 GLU H H 8.044 0.020 1 702 158 158 GLU CA C 55.009 0.300 1 703 158 158 GLU CB C 30.002 0.300 1 704 158 158 GLU N N 127.772 0.300 1 705 159 159 THR H H 7.617 0.020 1 706 159 159 THR C C 177.038 0.300 1 707 159 159 THR CA C 65.049 0.300 1 708 159 159 THR CB C 67.648 0.300 1 709 159 159 THR N N 117.032 0.300 1 710 160 160 ALA H H 9.146 0.020 1 711 160 160 ALA CA C 54.561 0.300 1 712 160 160 ALA CB C 18.087 0.300 1 713 160 160 ALA N N 125.085 0.300 1 714 162 162 SER H H 7.443 0.020 1 715 162 162 SER C C 173.009 0.300 1 716 162 162 SER CA C 58.490 0.300 1 717 162 162 SER CB C 61.230 0.300 1 718 162 162 SER N N 114.800 0.300 1 719 163 163 ARG H H 6.800 0.020 1 720 163 163 ARG C C 174.322 0.300 1 721 163 163 ARG CA C 53.934 0.300 1 722 163 163 ARG CB C 33.172 0.300 1 723 163 163 ARG N N 115.181 0.300 1 724 164 164 VAL H H 8.806 0.020 1 725 164 164 VAL HG1 H 1.107 0.020 2 726 164 164 VAL HG2 H 0.991 0.020 2 727 164 164 VAL C C 176.949 0.300 1 728 164 164 VAL CA C 62.152 0.300 1 729 164 164 VAL CB C 31.149 0.300 1 730 164 164 VAL CG1 C 20.204 0.300 2 731 164 164 VAL CG2 C 19.768 0.300 2 732 164 164 VAL N N 124.458 0.300 1 733 165 165 THR H H 8.617 0.020 1 734 165 165 THR CA C 61.470 0.300 1 735 165 165 THR CB C 68.447 0.300 1 736 165 165 THR N N 119.122 0.300 1 737 166 166 GLN H H 7.401 0.020 1 738 166 166 GLN C C 174.501 0.300 1 739 166 166 GLN CA C 55.480 0.300 1 740 166 166 GLN CB C 32.498 0.300 1 741 166 166 GLN N N 121.193 0.300 1 742 167 167 SER H H 8.281 0.020 1 743 167 167 SER C C 172.627 0.300 1 744 167 167 SER CA C 57.129 0.300 1 745 167 167 SER CB C 62.989 0.300 1 746 167 167 SER N N 119.013 0.300 1 747 168 168 ASN H H 9.116 0.020 1 748 168 168 ASN C C 171.823 0.300 1 749 168 168 ASN CA C 51.658 0.300 1 750 168 168 ASN CB C 41.262 0.300 1 751 168 168 ASN N N 127.501 0.300 1 752 169 169 PHE H H 8.587 0.020 1 753 169 169 PHE C C 173.290 0.300 1 754 169 169 PHE CA C 56.264 0.300 1 755 169 169 PHE CB C 43.822 0.300 1 756 169 169 PHE N N 118.223 0.300 1 757 170 170 ALA H H 8.802 0.020 1 758 170 170 ALA C C 176.146 0.300 1 759 170 170 ALA CA C 51.176 0.300 1 760 170 170 ALA CB C 23.479 0.300 1 761 170 170 ALA N N 122.519 0.300 1 762 171 171 VAL H H 8.207 0.020 1 763 171 171 VAL HG1 H 1.053 0.020 2 764 171 171 VAL HG2 H 0.984 0.020 2 765 171 171 VAL C C 175.394 0.300 1 766 171 171 VAL CA C 60.288 0.300 1 767 171 171 VAL CB C 35.104 0.300 1 768 171 171 VAL CG1 C 18.996 0.300 2 769 171 171 VAL CG2 C 19.160 0.300 2 770 171 171 VAL N N 116.862 0.300 1 771 172 172 GLY H H 9.426 0.020 1 772 172 172 GLY C C 170.064 0.300 1 773 172 172 GLY CA C 45.852 0.300 1 774 172 172 GLY N N 113.124 0.300 1 775 173 173 TYR H H 8.558 0.020 1 776 173 173 TYR C C 173.710 0.300 1 777 173 173 TYR CA C 56.716 0.300 1 778 173 173 TYR CB C 42.369 0.300 1 779 173 173 TYR N N 119.569 0.300 1 780 174 174 LYS H H 8.732 0.020 1 781 174 174 LYS CA C 55.593 0.300 1 782 174 174 LYS CB C 35.803 0.300 1 783 174 174 LYS N N 129.447 0.300 1 784 175 175 THR H H 8.645 0.020 1 785 175 175 THR CA C 59.608 0.300 1 786 175 175 THR CB C 71.078 0.300 1 787 175 175 THR N N 118.316 0.300 1 788 177 177 GLU H H 8.064 0.020 1 789 177 177 GLU CA C 56.548 0.300 1 790 177 177 GLU N N 114.229 0.300 1 791 178 178 PHE H H 7.486 0.020 1 792 178 178 PHE C C 174.029 0.300 1 793 178 178 PHE CA C 56.323 0.300 1 794 178 178 PHE CB C 41.873 0.300 1 795 178 178 PHE N N 119.982 0.300 1 796 179 179 GLN H H 8.679 0.020 1 797 179 179 GLN C C 173.812 0.300 1 798 179 179 GLN CA C 53.905 0.300 1 799 179 179 GLN CB C 31.891 0.300 1 800 179 179 GLN N N 122.554 0.300 1 801 180 180 LEU H H 9.338 0.020 1 802 180 180 LEU HD1 H 0.939 0.020 2 803 180 180 LEU HD2 H 0.911 0.020 2 804 180 180 LEU C C 174.322 0.300 1 805 180 180 LEU CA C 53.585 0.300 1 806 180 180 LEU CB C 44.975 0.300 1 807 180 180 LEU CD1 C 22.548 0.300 2 808 180 180 LEU CD2 C 23.265 0.300 2 809 180 180 LEU N N 127.737 0.300 1 810 181 181 HIS H H 9.135 0.020 1 811 181 181 HIS CA C 56.233 0.300 1 812 181 181 HIS CB C 33.628 0.300 1 813 181 181 HIS N N 128.866 0.300 1 814 183 183 ASN H H 8.840 0.020 1 815 183 183 ASN C C 172.601 0.300 1 816 183 183 ASN CA C 53.210 0.300 1 817 183 183 ASN CB C 42.750 0.300 1 818 183 183 ASN N N 116.523 0.300 1 819 184 184 VAL H H 8.893 0.020 1 820 184 184 VAL HG1 H 0.567 0.020 2 821 184 184 VAL HG2 H 0.461 0.020 2 822 184 184 VAL C C 174.947 0.300 1 823 184 184 VAL CA C 60.136 0.300 1 824 184 184 VAL CB C 33.105 0.300 1 825 184 184 VAL CG1 C 17.691 0.300 2 826 184 184 VAL CG2 C 19.053 0.300 2 827 184 184 VAL N N 118.220 0.300 1 828 185 185 ASN H H 9.332 0.020 1 829 185 185 ASN CA C 51.449 0.300 1 830 185 185 ASN CB C 37.961 0.300 1 831 185 185 ASN N N 129.554 0.300 1 832 186 186 ASP H H 8.987 0.020 1 833 186 186 ASP CA C 55.994 0.300 1 834 186 186 ASP CB C 40.321 0.300 1 835 186 186 ASP N N 125.210 0.300 1 836 187 187 GLY H H 8.666 0.020 1 837 187 187 GLY CA C 46.198 0.300 1 838 187 187 GLY N N 105.322 0.300 1 839 188 188 THR H H 7.604 0.020 1 840 188 188 THR C C 172.448 0.300 1 841 188 188 THR CA C 62.611 0.300 1 842 188 188 THR CB C 71.010 0.300 1 843 188 188 THR N N 109.125 0.300 1 844 189 189 GLU H H 7.615 0.020 1 845 189 189 GLU C C 174.182 0.300 1 846 189 189 GLU CA C 54.784 0.300 1 847 189 189 GLU CB C 30.609 0.300 1 848 189 189 GLU N N 122.933 0.300 1 849 190 190 PHE H H 8.854 0.020 1 850 190 190 PHE C C 176.324 0.300 1 851 190 190 PHE CA C 55.990 0.300 1 852 190 190 PHE CB C 40.639 0.300 1 853 190 190 PHE N N 125.670 0.300 1 854 191 191 GLY H H 8.524 0.020 1 855 191 191 GLY C C 171.517 0.300 1 856 191 191 GLY CA C 44.677 0.300 1 857 191 191 GLY N N 110.685 0.300 1 858 192 192 GLY H H 8.597 0.020 1 859 192 192 GLY C C 171.301 0.300 1 860 192 192 GLY CA C 45.687 0.300 1 861 192 192 GLY N N 105.698 0.300 1 862 193 193 SER H H 9.755 0.020 1 863 193 193 SER C C 173.226 0.300 1 864 193 193 SER CA C 56.251 0.300 1 865 193 193 SER CB C 66.449 0.300 1 866 193 193 SER N N 114.692 0.300 1 867 194 194 ILE H H 8.744 0.020 1 868 194 194 ILE HD1 H 0.790 0.020 1 869 194 194 ILE C C 173.302 0.300 1 870 194 194 ILE CA C 59.793 0.300 1 871 194 194 ILE CB C 41.468 0.300 1 872 194 194 ILE CG1 C 27.403 0.300 1 873 194 194 ILE CD1 C 11.574 0.300 1 874 194 194 ILE N N 118.986 0.300 1 875 195 195 TYR H H 8.748 0.020 1 876 195 195 TYR C C 172.818 0.300 1 877 195 195 TYR CA C 55.732 0.300 1 878 195 195 TYR CB C 42.210 0.300 1 879 195 195 TYR N N 127.443 0.300 1 880 196 196 GLN H H 8.246 0.020 1 881 196 196 GLN C C 174.310 0.300 1 882 196 196 GLN CA C 53.800 0.300 1 883 196 196 GLN CB C 31.713 0.300 1 884 196 196 GLN CD C 176.396 0.300 1 885 196 196 GLN N N 125.590 0.300 1 886 196 196 GLN NE2 N 108.398 0.300 1 887 197 197 LYS H H 8.891 0.020 1 888 197 197 LYS CA C 55.890 0.300 1 889 197 197 LYS CB C 31.284 0.300 1 890 197 197 LYS N N 130.440 0.300 1 891 198 198 VAL H H 8.575 0.020 1 892 198 198 VAL HG1 H 0.856 0.020 2 893 198 198 VAL HG2 H 0.766 0.020 2 894 198 198 VAL CA C 65.111 0.300 1 895 198 198 VAL CG1 C 19.171 0.300 2 896 198 198 VAL CG2 C 20.417 0.300 2 897 198 198 VAL N N 131.181 0.300 1 898 202 202 LEU H H 7.493 0.020 1 899 202 202 LEU CA C 54.117 0.300 1 900 202 202 LEU CB C 44.402 0.300 1 901 202 202 LEU N N 122.238 0.300 1 902 203 203 GLU H H 8.818 0.020 1 903 203 203 GLU C C 174.769 0.300 1 904 203 203 GLU CA C 54.273 0.300 1 905 203 203 GLU CB C 34.085 0.300 1 906 203 203 GLU N N 125.648 0.300 1 907 204 204 THR H H 8.362 0.020 1 908 204 204 THR C C 171.556 0.300 1 909 204 204 THR CA C 59.541 0.300 1 910 204 204 THR CB C 72.157 0.300 1 911 204 204 THR N N 112.192 0.300 1 912 205 205 ALA H H 9.008 0.020 1 913 205 205 ALA C C 174.488 0.300 1 914 205 205 ALA CA C 50.934 0.300 1 915 205 205 ALA CB C 23.527 0.300 1 916 205 205 ALA N N 122.490 0.300 1 917 206 206 VAL H H 8.925 0.020 1 918 206 206 VAL HG1 H 0.993 0.020 2 919 206 206 VAL HG2 H 0.943 0.020 2 920 206 206 VAL C C 174.310 0.300 1 921 206 206 VAL CA C 59.537 0.300 1 922 206 206 VAL CB C 35.465 0.300 1 923 206 206 VAL CG1 C 19.161 0.300 2 924 206 206 VAL CG2 C 18.742 0.300 2 925 206 206 VAL N N 116.820 0.300 1 926 207 207 ASN H H 8.846 0.020 1 927 207 207 ASN C C 172.423 0.300 1 928 207 207 ASN CA C 52.156 0.300 1 929 207 207 ASN CB C 42.210 0.300 1 930 207 207 ASN N N 122.588 0.300 1 931 208 208 LEU H H 8.686 0.020 1 932 208 208 LEU HD1 H 0.873 0.020 2 933 208 208 LEU HD2 H 0.803 0.020 2 934 208 208 LEU C C 175.177 0.300 1 935 208 208 LEU CA C 54.335 0.300 1 936 208 208 LEU CB C 45.852 0.300 1 937 208 208 LEU CD1 C 22.843 0.300 2 938 208 208 LEU CD2 C 23.996 0.300 2 939 208 208 LEU N N 121.569 0.300 1 940 209 209 ALA H H 9.184 0.020 1 941 209 209 ALA C C 175.304 0.300 1 942 209 209 ALA CA C 52.000 0.300 1 943 209 209 ALA CB C 22.313 0.300 1 944 209 209 ALA N N 126.505 0.300 1 945 210 210 TRP H H 8.951 0.020 1 946 210 210 TRP HE1 H 10.107 0.020 1 947 210 210 TRP C C 173.149 0.300 1 948 210 210 TRP CA C 57.763 0.300 1 949 210 210 TRP CB C 31.756 0.300 1 950 210 210 TRP N N 121.338 0.300 1 951 210 210 TRP NE1 N 131.612 0.300 1 952 211 211 THR H H 8.504 0.020 1 953 211 211 THR C C 173.698 0.300 1 954 211 211 THR CA C 60.482 0.300 1 955 211 211 THR CB C 70.403 0.300 1 956 211 211 THR N N 120.671 0.300 1 957 212 212 ALA H H 8.667 0.020 1 958 212 212 ALA CA C 53.357 0.300 1 959 212 212 ALA CB C 18.199 0.300 1 960 212 212 ALA N N 127.186 0.300 1 961 213 213 GLY H H 8.378 0.020 1 962 213 213 GLY CA C 45.153 0.300 1 963 213 213 GLY N N 110.193 0.300 1 964 214 214 ASN H H 7.937 0.020 1 965 214 214 ASN CA C 52.400 0.300 1 966 214 214 ASN CB C 39.504 0.300 1 967 214 214 ASN N N 119.359 0.300 1 968 216 216 ASN H H 8.370 0.020 1 969 216 216 ASN CA C 53.172 0.300 1 970 216 216 ASN CB C 38.910 0.300 1 971 216 216 ASN N N 120.517 0.300 1 972 217 217 THR H H 8.357 0.020 1 973 217 217 THR C C 174.042 0.300 1 974 217 217 THR CA C 62.715 0.300 1 975 217 217 THR CB C 69.494 0.300 1 976 217 217 THR N N 119.384 0.300 1 977 218 218 ARG H H 9.014 0.020 1 978 218 218 ARG C C 175.062 0.300 1 979 218 218 ARG CA C 55.127 0.300 1 980 218 218 ARG CB C 31.014 0.300 1 981 218 218 ARG N N 125.628 0.300 1 982 219 219 PHE H H 8.016 0.020 1 983 219 219 PHE C C 173.455 0.300 1 984 219 219 PHE CA C 56.000 0.300 1 985 219 219 PHE CB C 41.873 0.300 1 986 219 219 PHE N N 119.105 0.300 1 987 220 220 GLY H H 8.542 0.020 1 988 220 220 GLY C C 170.918 0.300 1 989 220 220 GLY CA C 45.211 0.300 1 990 220 220 GLY N N 107.649 0.300 1 991 221 221 ILE H H 8.772 0.020 1 992 221 221 ILE HD1 H 0.727 0.020 1 993 221 221 ILE C C 171.964 0.300 1 994 221 221 ILE CA C 59.719 0.300 1 995 221 221 ILE CB C 41.470 0.300 1 996 221 221 ILE CG1 C 27.182 0.300 1 997 221 221 ILE CD1 C 11.901 0.300 1 998 221 221 ILE N N 118.675 0.300 1 999 222 222 ALA H H 8.836 0.020 1 1000 222 222 ALA C C 175.113 0.300 1 1001 222 222 ALA CA C 50.405 0.300 1 1002 222 222 ALA CB C 22.095 0.300 1 1003 222 222 ALA N N 126.242 0.300 1 1004 223 223 ALA H H 9.177 0.020 1 1005 223 223 ALA C C 176.745 0.300 1 1006 223 223 ALA CA C 50.355 0.300 1 1007 223 223 ALA CB C 23.272 0.300 1 1008 223 223 ALA N N 119.359 0.300 1 1009 224 224 LYS H H 8.732 0.020 1 1010 224 224 LYS C C 174.182 0.300 1 1011 224 224 LYS CA C 56.317 0.300 1 1012 224 224 LYS CB C 36.072 0.300 1 1013 224 224 LYS N N 122.571 0.300 1 1014 225 225 TYR H H 9.846 0.020 1 1015 225 225 TYR C C 173.366 0.300 1 1016 225 225 TYR CA C 55.317 0.300 1 1017 225 225 TYR CB C 41.873 0.300 1 1018 225 225 TYR N N 129.044 0.300 1 1019 226 226 GLN H H 8.994 0.020 1 1020 226 226 GLN C C 173.506 0.300 1 1021 226 226 GLN CA C 54.541 0.300 1 1022 226 226 GLN CB C 26.832 0.300 1 1023 226 226 GLN N N 131.684 0.300 1 1024 227 227 ILE H H 7.777 0.020 1 1025 227 227 ILE HD1 H 0.969 0.020 1 1026 227 227 ILE C C 175.547 0.300 1 1027 227 227 ILE CA C 64.671 0.300 1 1028 227 227 ILE CB C 38.775 0.300 1 1029 227 227 ILE CG1 C 28.363 0.300 1 1030 227 227 ILE CD1 C 12.623 0.300 1 1031 227 227 ILE N N 130.068 0.300 1 1032 228 228 ASP H H 8.416 0.020 1 1033 228 228 ASP CA C 52.836 0.300 1 1034 228 228 ASP CB C 40.288 0.300 1 1035 228 228 ASP N N 118.409 0.300 1 1036 229 229 PRO C C 176.132 0.300 1 1037 229 229 PRO CA C 65.712 0.300 1 1038 229 229 PRO CB C 32.975 0.300 1 1039 230 230 ASP H H 8.466 0.020 1 1040 230 230 ASP CA C 53.840 0.300 1 1041 230 230 ASP CB C 42.835 0.300 1 1042 230 230 ASP N N 114.175 0.300 1 1043 231 231 ALA H H 7.621 0.020 1 1044 231 231 ALA C C 174.871 0.300 1 1045 231 231 ALA CA C 51.740 0.300 1 1046 231 231 ALA CB C 22.592 0.300 1 1047 231 231 ALA N N 124.201 0.300 1 1048 232 232 CYS H H 8.411 0.020 1 1049 232 232 CYS C C 171.887 0.300 1 1050 232 232 CYS CA C 56.289 0.300 1 1051 232 232 CYS CB C 30.407 0.300 1 1052 232 232 CYS N N 119.243 0.300 1 1053 233 233 PHE H H 9.206 0.020 1 1054 233 233 PHE C C 172.754 0.300 1 1055 233 233 PHE CA C 55.575 0.300 1 1056 233 233 PHE CB C 43.424 0.300 1 1057 233 233 PHE N N 127.872 0.300 1 1058 234 234 SER H H 9.302 0.020 1 1059 234 234 SER C C 170.752 0.300 1 1060 234 234 SER CA C 57.515 0.300 1 1061 234 234 SER CB C 64.468 0.300 1 1062 234 234 SER N N 124.633 0.300 1 1063 235 235 ALA H H 7.974 0.020 1 1064 235 235 ALA C C 175.521 0.300 1 1065 235 235 ALA CA C 50.943 0.300 1 1066 235 235 ALA CB C 22.920 0.300 1 1067 235 235 ALA N N 122.847 0.300 1 1068 236 236 LYS H H 9.009 0.020 1 1069 236 236 LYS C C 174.093 0.300 1 1070 236 236 LYS CA C 54.847 0.300 1 1071 236 236 LYS CB C 35.934 0.300 1 1072 236 236 LYS N N 114.835 0.300 1 1073 237 237 VAL H H 8.909 0.020 1 1074 237 237 VAL HG1 H 0.838 0.020 2 1075 237 237 VAL HG2 H 0.931 0.020 2 1076 237 237 VAL C C 173.986 0.300 1 1077 237 237 VAL CA C 59.719 0.300 1 1078 237 237 VAL CB C 34.386 0.300 1 1079 237 237 VAL CG1 C 17.755 0.300 2 1080 237 237 VAL CG2 C 18.934 0.300 2 1081 237 237 VAL N N 116.888 0.300 1 1082 238 238 ASN H H 7.524 0.020 1 1083 238 238 ASN C C 176.462 0.300 1 1084 238 238 ASN CA C 50.963 0.300 1 1085 238 238 ASN CB C 40.996 0.300 1 1086 238 238 ASN N N 122.596 0.300 1 1087 239 239 ASN H H 8.445 0.020 1 1088 239 239 ASN CA C 55.036 0.300 1 1089 239 239 ASN CB C 36.747 0.300 1 1090 239 239 ASN N N 113.493 0.300 1 1091 240 240 SER H H 7.790 0.020 1 1092 240 240 SER CA C 58.342 0.300 1 1093 240 240 SER CB C 62.358 0.300 1 1094 240 240 SER N N 117.245 0.300 1 1095 241 241 SER H H 8.138 0.020 1 1096 241 241 SER C C 172.193 0.300 1 1097 241 241 SER CA C 59.728 0.300 1 1098 241 241 SER N N 109.522 0.300 1 1099 242 242 LEU H H 7.297 0.020 1 1100 242 242 LEU HD1 H 0.620 0.020 2 1101 242 242 LEU HD2 H 0.738 0.020 2 1102 242 242 LEU C C 176.618 0.300 1 1103 242 242 LEU CA C 53.973 0.300 1 1104 242 242 LEU CB C 40.389 0.300 1 1105 242 242 LEU CD1 C 20.430 0.300 2 1106 242 242 LEU CD2 C 22.775 0.300 2 1107 242 242 LEU N N 118.583 0.300 1 1108 243 243 ILE H H 9.040 0.020 1 1109 243 243 ILE HD1 H 0.730 0.020 1 1110 243 243 ILE C C 174.680 0.300 1 1111 243 243 ILE CA C 59.602 0.300 1 1112 243 243 ILE CB C 40.321 0.300 1 1113 243 243 ILE CG1 C 27.256 0.300 1 1114 243 243 ILE CD1 C 12.483 0.300 1 1115 243 243 ILE N N 126.892 0.300 1 1116 244 244 GLY H H 9.262 0.020 1 1117 244 244 GLY C C 171.390 0.300 1 1118 244 244 GLY CA C 44.270 0.300 1 1119 244 244 GLY N N 114.723 0.300 1 1120 245 245 LEU H H 9.352 0.020 1 1121 245 245 LEU HD1 H 1.035 0.020 2 1122 245 245 LEU HD2 H 0.798 0.020 2 1123 245 245 LEU C C 176.273 0.300 1 1124 245 245 LEU CA C 53.443 0.300 1 1125 245 245 LEU CB C 46.324 0.300 1 1126 245 245 LEU CD1 C 21.490 0.300 2 1127 245 245 LEU CD2 C 23.769 0.300 2 1128 245 245 LEU N N 122.252 0.300 1 1129 246 246 GLY H H 9.172 0.020 1 1130 246 246 GLY C C 170.829 0.300 1 1131 246 246 GLY CA C 44.825 0.300 1 1132 246 246 GLY N N 110.727 0.300 1 1133 247 247 TYR H H 9.059 0.020 1 1134 247 247 TYR C C 173.927 0.300 1 1135 247 247 TYR CA C 56.306 0.300 1 1136 247 247 TYR CB C 42.817 0.300 1 1137 247 247 TYR N N 125.513 0.300 1 1138 248 248 THR H H 8.367 0.020 1 1139 248 248 THR C C 172.078 0.300 1 1140 248 248 THR CA C 60.987 0.300 1 1141 248 248 THR CB C 70.875 0.300 1 1142 248 248 THR N N 124.535 0.300 1 1143 249 249 GLN H H 9.075 0.020 1 1144 249 249 GLN CA C 52.580 0.300 1 1145 249 249 GLN CB C 33.037 0.300 1 1146 249 249 GLN N N 126.696 0.300 1 1147 251 251 LEU H H 9.385 0.020 1 1148 251 251 LEU CA C 53.305 0.300 1 1149 251 251 LEU CB C 43.087 0.300 1 1150 251 251 LEU N N 128.628 0.300 1 1151 253 253 PRO C C 175.572 0.300 1 1152 253 253 PRO CA C 62.593 0.300 1 1153 253 253 PRO CB C 32.430 0.300 1 1154 254 254 GLY H H 8.516 0.020 1 1155 254 254 GLY CA C 47.320 0.300 1 1156 254 254 GLY N N 110.634 0.300 1 1157 255 255 ILE H H 8.168 0.020 1 1158 255 255 ILE HD1 H 0.749 0.020 1 1159 255 255 ILE CA C 60.042 0.300 1 1160 255 255 ILE CB C 39.292 0.300 1 1161 255 255 ILE CD1 C 11.804 0.300 1 1162 255 255 ILE N N 121.533 0.300 1 1163 256 256 LYS H H 8.670 0.020 1 1164 256 256 LYS CA C 54.986 0.300 1 1165 256 256 LYS N N 127.022 0.300 1 1166 257 257 LEU H H 8.785 0.020 1 1167 257 257 LEU HD1 H 0.877 0.020 2 1168 257 257 LEU HD2 H 0.847 0.020 2 1169 257 257 LEU C C 174.322 0.300 1 1170 257 257 LEU CA C 53.161 0.300 1 1171 257 257 LEU CB C 45.552 0.300 1 1172 257 257 LEU CD1 C 22.018 0.300 2 1173 257 257 LEU CD2 C 22.088 0.300 2 1174 257 257 LEU N N 127.544 0.300 1 1175 258 258 THR H H 9.600 0.020 1 1176 258 258 THR C C 173.519 0.300 1 1177 258 258 THR CA C 61.341 0.300 1 1178 258 258 THR CB C 70.808 0.300 1 1179 258 258 THR N N 123.115 0.300 1 1180 259 259 LEU H H 9.178 0.020 1 1181 259 259 LEU HD1 H 0.961 0.020 2 1182 259 259 LEU HD2 H 0.940 0.020 2 1183 259 259 LEU C C 174.399 0.300 1 1184 259 259 LEU CA C 53.097 0.300 1 1185 259 259 LEU CB C 45.068 0.300 1 1186 259 259 LEU CD1 C 22.710 0.300 2 1187 259 259 LEU CD2 C 22.496 0.300 2 1188 259 259 LEU N N 129.467 0.300 1 1189 260 260 SER H H 8.784 0.020 1 1190 260 260 SER C C 172.729 0.300 1 1191 260 260 SER CA C 56.907 0.300 1 1192 260 260 SER CB C 66.311 0.300 1 1193 260 260 SER N N 115.258 0.300 1 1194 261 261 ALA H H 9.542 0.020 1 1195 261 261 ALA C C 173.302 0.300 1 1196 261 261 ALA CA C 51.346 0.300 1 1197 261 261 ALA CB C 22.649 0.300 1 1198 261 261 ALA N N 120.542 0.300 1 1199 262 262 LEU H H 8.681 0.020 1 1200 262 262 LEU HD1 H 0.246 0.020 2 1201 262 262 LEU HD2 H 0.386 0.020 2 1202 262 262 LEU C C 175.177 0.300 1 1203 262 262 LEU CA C 52.550 0.300 1 1204 262 262 LEU CB C 42.952 0.300 1 1205 262 262 LEU CD1 C 20.198 0.300 2 1206 262 262 LEU CD2 C 23.057 0.300 2 1207 262 262 LEU N N 124.722 0.300 1 1208 263 263 LEU H H 9.486 0.020 1 1209 263 263 LEU HD1 H 0.534 0.020 2 1210 263 263 LEU HD2 H 0.592 0.020 2 1211 263 263 LEU CA C 52.486 0.300 1 1212 263 263 LEU CB C 43.289 0.300 1 1213 263 263 LEU CD1 C 21.659 0.300 2 1214 263 263 LEU CD2 C 22.761 0.300 2 1215 263 263 LEU N N 126.241 0.300 1 1216 264 264 ASP H H 9.846 0.020 1 1217 264 264 ASP C C 176.745 0.300 1 1218 264 264 ASP CA C 52.484 0.300 1 1219 264 264 ASP CB C 39.580 0.300 1 1220 264 264 ASP N N 124.490 0.300 1 1221 265 265 GLY H H 8.447 0.020 1 1222 265 265 GLY C C 173.698 0.300 1 1223 265 265 GLY CA C 46.270 0.300 1 1224 265 265 GLY N N 112.620 0.300 1 1225 266 266 LYS H H 8.109 0.020 1 1226 266 266 LYS C C 177.026 0.300 1 1227 266 266 LYS CA C 57.016 0.300 1 1228 266 266 LYS CB C 31.298 0.300 1 1229 266 266 LYS N N 117.299 0.300 1 1230 267 267 ASN H H 7.403 0.020 1 1231 267 267 ASN C C 174.947 0.300 1 1232 267 267 ASN CA C 51.982 0.300 1 1233 267 267 ASN CB C 37.872 0.300 1 1234 267 267 ASN N N 117.476 0.300 1 1235 268 268 VAL H H 8.531 0.020 1 1236 268 268 VAL HG1 H 0.848 0.020 2 1237 268 268 VAL HG2 H 0.897 0.020 2 1238 268 268 VAL C C 177.318 0.300 1 1239 268 268 VAL CA C 65.243 0.300 1 1240 268 268 VAL CB C 31.160 0.300 1 1241 268 268 VAL CG1 C 18.924 0.300 2 1242 268 268 VAL CG2 C 19.072 0.300 2 1243 268 268 VAL N N 122.352 0.300 1 1244 269 269 ASN H H 8.317 0.020 1 1245 269 269 ASN C C 175.712 0.300 1 1246 269 269 ASN CA C 54.513 0.300 1 1247 269 269 ASN CB C 38.218 0.300 1 1248 269 269 ASN N N 116.993 0.300 1 1249 270 270 ALA H H 7.457 0.020 1 1250 270 270 ALA C C 177.625 0.300 1 1251 270 270 ALA CA C 51.921 0.300 1 1252 270 270 ALA CB C 18.774 0.300 1 1253 270 270 ALA N N 120.645 0.300 1 1254 271 271 GLY H H 7.673 0.020 1 1255 271 271 GLY C C 173.902 0.300 1 1256 271 271 GLY CA C 44.997 0.300 1 1257 271 271 GLY N N 106.893 0.300 1 1258 272 272 GLY H H 8.532 0.020 1 1259 272 272 GLY C C 173.902 0.300 1 1260 272 272 GLY CA C 45.705 0.300 1 1261 272 272 GLY N N 109.298 0.300 1 1262 273 273 HIS H H 7.254 0.020 1 1263 273 273 HIS C C 175.967 0.300 1 1264 273 273 HIS CA C 54.744 0.300 1 1265 273 273 HIS CB C 31.160 0.300 1 1266 273 273 HIS N N 120.825 0.300 1 1267 274 274 LYS H H 8.827 0.020 1 1268 274 274 LYS C C 175.049 0.300 1 1269 274 274 LYS CA C 55.047 0.300 1 1270 274 274 LYS CB C 36.418 0.300 1 1271 274 274 LYS N N 119.474 0.300 1 1272 275 275 LEU H H 8.615 0.020 1 1273 275 275 LEU HD1 H 0.908 0.020 2 1274 275 275 LEU HD2 H 0.922 0.020 2 1275 275 275 LEU C C 177.918 0.300 1 1276 275 275 LEU CA C 53.724 0.300 1 1277 275 275 LEU CB C 45.448 0.300 1 1278 275 275 LEU CD1 C 23.052 0.300 2 1279 275 275 LEU CD2 C 21.661 0.300 2 1280 275 275 LEU N N 121.445 0.300 1 1281 276 276 GLY H H 9.094 0.020 1 1282 276 276 GLY C C 170.905 0.300 1 1283 276 276 GLY CA C 45.333 0.300 1 1284 276 276 GLY N N 111.226 0.300 1 1285 277 277 LEU H H 8.181 0.020 1 1286 277 277 LEU HD1 H 0.710 0.020 2 1287 277 277 LEU HD2 H 0.831 0.020 2 1288 277 277 LEU C C 175.190 0.300 1 1289 277 277 LEU CA C 54.042 0.300 1 1290 277 277 LEU CB C 46.324 0.300 1 1291 277 277 LEU CD1 C 22.905 0.300 2 1292 277 277 LEU CD2 C 23.005 0.300 2 1293 277 277 LEU N N 121.055 0.300 1 1294 278 278 GLY H H 9.567 0.020 1 1295 278 278 GLY C C 171.581 0.300 1 1296 278 278 GLY CA C 44.543 0.300 1 1297 278 278 GLY N N 116.082 0.300 1 1298 279 279 LEU H H 8.655 0.020 1 1299 279 279 LEU HD1 H 0.725 0.020 2 1300 279 279 LEU HD2 H 0.737 0.020 2 1301 279 279 LEU CA C 53.481 0.300 1 1302 279 279 LEU CB C 45.448 0.300 1 1303 279 279 LEU CD1 C 22.258 0.300 2 1304 279 279 LEU CD2 C 22.778 0.300 2 1305 279 279 LEU N N 124.774 0.300 1 1306 280 280 GLU H H 8.679 0.020 1 1307 280 280 GLU CA C 55.048 0.300 1 1308 280 280 GLU N N 124.440 0.300 1 1309 282 282 GLN H H 9.059 0.020 1 1310 282 282 GLN C C 174.233 0.300 1 1311 282 282 GLN CA C 54.212 0.300 1 1312 282 282 GLN CB C 30.676 0.300 1 1313 282 282 GLN N N 125.025 0.300 1 1314 283 283 ALA H H 8.239 0.020 1 1315 283 283 ALA C C 176.248 0.300 1 1316 283 283 ALA CA C 51.437 0.300 1 1317 283 283 ALA CB C 18.941 0.300 1 1318 283 283 ALA N N 126.387 0.300 1 1319 284 284 LEU H H 8.378 0.020 1 1320 284 284 LEU HD1 H 0.639 0.020 2 1321 284 284 LEU HD2 H 0.678 0.020 2 1322 284 284 LEU C C 176.707 0.300 1 1323 284 284 LEU CA C 54.374 0.300 1 1324 284 284 LEU CB C 41.873 0.300 1 1325 284 284 LEU CD1 C 20.889 0.300 2 1326 284 284 LEU CD2 C 22.645 0.300 2 1327 284 284 LEU N N 123.302 0.300 1 1328 285 285 GLU H H 8.322 0.020 1 1329 285 285 GLU CA C 56.191 0.300 1 1330 285 285 GLU CB C 29.867 0.300 1 1331 285 285 GLU N N 121.691 0.300 1 1332 287 287 HIS H H 7.821 0.020 1 1333 287 287 HIS CA C 57.177 0.300 1 1334 287 287 HIS N N 125.884 0.300 1 stop_ save_