data_26923 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and Ile, Leu, Val Methyl Chemical Shift Assignments for Rhizopus microsporus var. chinensis lipase ; _BMRB_accession_number 26923 _BMRB_flat_file_name bmr26923.str _Entry_type original _Submission_date 2016-10-24 _Accession_date 2016-10-24 _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 Zhang Meng . . 2 Yu Xiao-Wei . . 3 G.V.T. Swapna . . 4 Liu Gaohua . . 5 Xiao Rong . . 6 Xu Yan . . 7 Montelione Gaetano . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 311 "13C chemical shifts" 554 "15N chemical shifts" 228 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-04-13 update BMRB 'update entry citation' 2018-02-09 original author 'original release' stop_ _Original_release_date 2016-10-25 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone and Ile-delta1, Leu, Val methyl 1H, 15N, and 13C, chemical shift assignments for Rhizopus chinensis lipase ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28929427 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhang Meng . . 2 Yu Xiao-Wei . . 3 G.V.T. Swapna . . 4 Liu Gaohua . . 5 Xiao Rong . . 6 Xu Yan . . 7 Montelione Gaetano . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 12 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 63 _Page_last 68 _Year 2018 _Details . loop_ _Keyword 'NMR resonance assignment' 'Rhizopus microsporus var. chinensis lipase' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name RCL _Enzyme_commission_number 3.1.1.3 loop_ _Mol_system_component_name _Mol_label RCL $RCL stop_ _System_molecular_weight 32264.7 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function Lipase stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RCL _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RCL _Molecular_mass . _Mol_thiol_state 'free and disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 296 _Mol_residue_sequence ; DTETVGGMTLDLPENPPPIP ATSTAPSSDSGEVVTATAAQ IKELTNYAGVAATAYCRSVV PGTKWDCKQCLKYVPDGKLI KTFTSLLTDTNGFILRSDAQ KTIYVTFRGTNSFRSAITDM VFTFTDYSPVKGAKVHAGFL SSYNQVVKDYFPVVQDQLTA YPDYKVIVTGHSLGGAQALL AGMDLYQREKRLSPKNLSIY TVGCPRVGNNAFAYYVDSTG IPFHRTVHKRDIVPHVPPQA FGYLHPGVESWIKEDPADVQ ICTSNIETKQCSNSIVPFTS IADHLTYFGINEGSCL ; loop_ _Residue_seq_code _Residue_label 1 ASP 2 THR 3 GLU 4 THR 5 VAL 6 GLY 7 GLY 8 MET 9 THR 10 LEU 11 ASP 12 LEU 13 PRO 14 GLU 15 ASN 16 PRO 17 PRO 18 PRO 19 ILE 20 PRO 21 ALA 22 THR 23 SER 24 THR 25 ALA 26 PRO 27 SER 28 SER 29 ASP 30 SER 31 GLY 32 GLU 33 VAL 34 VAL 35 THR 36 ALA 37 THR 38 ALA 39 ALA 40 GLN 41 ILE 42 LYS 43 GLU 44 LEU 45 THR 46 ASN 47 TYR 48 ALA 49 GLY 50 VAL 51 ALA 52 ALA 53 THR 54 ALA 55 TYR 56 CYS 57 ARG 58 SER 59 VAL 60 VAL 61 PRO 62 GLY 63 THR 64 LYS 65 TRP 66 ASP 67 CYS 68 LYS 69 GLN 70 CYS 71 LEU 72 LYS 73 TYR 74 VAL 75 PRO 76 ASP 77 GLY 78 LYS 79 LEU 80 ILE 81 LYS 82 THR 83 PHE 84 THR 85 SER 86 LEU 87 LEU 88 THR 89 ASP 90 THR 91 ASN 92 GLY 93 PHE 94 ILE 95 LEU 96 ARG 97 SER 98 ASP 99 ALA 100 GLN 101 LYS 102 THR 103 ILE 104 TYR 105 VAL 106 THR 107 PHE 108 ARG 109 GLY 110 THR 111 ASN 112 SER 113 PHE 114 ARG 115 SER 116 ALA 117 ILE 118 THR 119 ASP 120 MET 121 VAL 122 PHE 123 THR 124 PHE 125 THR 126 ASP 127 TYR 128 SER 129 PRO 130 VAL 131 LYS 132 GLY 133 ALA 134 LYS 135 VAL 136 HIS 137 ALA 138 GLY 139 PHE 140 LEU 141 SER 142 SER 143 TYR 144 ASN 145 GLN 146 VAL 147 VAL 148 LYS 149 ASP 150 TYR 151 PHE 152 PRO 153 VAL 154 VAL 155 GLN 156 ASP 157 GLN 158 LEU 159 THR 160 ALA 161 TYR 162 PRO 163 ASP 164 TYR 165 LYS 166 VAL 167 ILE 168 VAL 169 THR 170 GLY 171 HIS 172 SER 173 LEU 174 GLY 175 GLY 176 ALA 177 GLN 178 ALA 179 LEU 180 LEU 181 ALA 182 GLY 183 MET 184 ASP 185 LEU 186 TYR 187 GLN 188 ARG 189 GLU 190 LYS 191 ARG 192 LEU 193 SER 194 PRO 195 LYS 196 ASN 197 LEU 198 SER 199 ILE 200 TYR 201 THR 202 VAL 203 GLY 204 CYS 205 PRO 206 ARG 207 VAL 208 GLY 209 ASN 210 ASN 211 ALA 212 PHE 213 ALA 214 TYR 215 TYR 216 VAL 217 ASP 218 SER 219 THR 220 GLY 221 ILE 222 PRO 223 PHE 224 HIS 225 ARG 226 THR 227 VAL 228 HIS 229 LYS 230 ARG 231 ASP 232 ILE 233 VAL 234 PRO 235 HIS 236 VAL 237 PRO 238 PRO 239 GLN 240 ALA 241 PHE 242 GLY 243 TYR 244 LEU 245 HIS 246 PRO 247 GLY 248 VAL 249 GLU 250 SER 251 TRP 252 ILE 253 LYS 254 GLU 255 ASP 256 PRO 257 ALA 258 ASP 259 VAL 260 GLN 261 ILE 262 CYS 263 THR 264 SER 265 ASN 266 ILE 267 GLU 268 THR 269 LYS 270 GLN 271 CYS 272 SER 273 ASN 274 SER 275 ILE 276 VAL 277 PRO 278 PHE 279 THR 280 SER 281 ILE 282 ALA 283 ASP 284 HIS 285 LEU 286 THR 287 TYR 288 PHE 289 GLY 290 ILE 291 ASN 292 GLU 293 GLY 294 SER 295 CYS 296 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value GB EF405962.2 'Rhizopus microsporus var. chinensis lipase gene' . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $RCL 'Rhizopus microsporus' 58291 Eukaryota Fungi Rhizopus microsporus CCTCCM201021 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 $RCL 'recombinant technology' . Escherichia coli 'BL21 trxB (DE3)' MBP3 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 $RCL 0.12 mM '[U-13C; U-15N; U-2H]' DMSO 2 % '[U-99% 2H]' DSS 50 uM 'natural abundance' D2O 10 % '[U-99% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version . loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_PINE _Saveframe_category software _Name PINE _Version . loop_ _Vendor _Address _Electronic_address 'Bahrami, Markley, Assadi, and Eghbalnia' . . 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 800 _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCACO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _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 pH 6.0 . pH pressure 1 . atm temperature 308 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details 'TROSY offset: amide protons; amide nitrogens.' loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HCACO' '3D HN(COCA)CB' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D HCCH-TOCSY' 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 RCL _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 THR CA C 62.194 . . 2 2 2 THR CB C 69.391 . . 3 3 3 GLU H H 8.709 . . 4 3 3 GLU CA C 56.656 . . 5 3 3 GLU CB C 29.891 . . 6 3 3 GLU N N 125.344 . . 7 4 4 THR H H 8.052 . . 8 4 4 THR CA C 59.317 . . 9 4 4 THR CB C 72.594 . . 10 4 4 THR N N 112.862 . . 11 5 5 VAL H H 8.603 . . 12 5 5 VAL HG1 H 0.918 . . 13 5 5 VAL HG2 H 0.955 . . 14 5 5 VAL CA C 61.745 . . 15 5 5 VAL CB C 33.930 . . 16 5 5 VAL CG1 C 21.760 . . 17 5 5 VAL CG2 C 20.506 . . 18 5 5 VAL N N 120.300 . . 19 6 6 GLY H H 9.366 . . 20 6 6 GLY CA C 46.721 . . 21 6 6 GLY N N 117.204 . . 22 7 7 GLY H H 8.485 . . 23 7 7 GLY CA C 44.057 . . 24 7 7 GLY N N 105.215 . . 25 8 8 MET H H 7.721 . . 26 8 8 MET CA C 54.020 . . 27 8 8 MET CB C 32.041 . . 28 8 8 MET N N 120.488 . . 29 9 9 THR H H 7.847 . . 30 9 9 THR CA C 61.968 . . 31 9 9 THR CB C 68.709 . . 32 9 9 THR N N 111.452 . . 33 10 10 LEU H H 7.804 . . 34 10 10 LEU HD1 H 0.787 . . 35 10 10 LEU HD2 H 0.770 . . 36 10 10 LEU CA C 56.432 . . 37 10 10 LEU CB C 41.788 . . 38 10 10 LEU CD1 C 24.716 . . 39 10 10 LEU CD2 C 25.072 . . 40 10 10 LEU N N 120.277 . . 41 11 11 ASP H H 8.115 . . 42 11 11 ASP CA C 52.407 . . 43 11 11 ASP CB C 42.367 . . 44 11 11 ASP N N 119.259 . . 45 12 12 LEU H H 8.605 . . 46 12 12 LEU HD1 H 0.894 . . 47 12 12 LEU HD2 H 0.916 . . 48 12 12 LEU CA C 52.943 . . 49 12 12 LEU CB C 42.418 . . 50 12 12 LEU CD1 C 25.887 . . 51 12 12 LEU CD2 C 25.507 . . 52 12 12 LEU N N 125.925 . . 53 13 13 PRO CA C 59.183 . . 54 13 13 PRO CB C 31.166 . . 55 14 14 GLU H H 9.202 . . 56 14 14 GLU CA C 55.281 . . 57 14 14 GLU CB C 28.336 . . 58 14 14 GLU N N 125.407 . . 59 18 18 PRO CA C 63.861 . . 60 18 18 PRO CB C 31.371 . . 61 19 19 ILE H H 8.595 . . 62 19 19 ILE HD1 H 0.765 . . 63 19 19 ILE CA C 63.484 . . 64 19 19 ILE CB C 37.758 . . 65 19 19 ILE CD1 C 13.814 . . 66 19 19 ILE N N 126.639 . . 67 20 20 PRO CA C 62.878 . . 68 20 20 PRO CB C 31.218 . . 69 21 21 ALA H H 8.315 . . 70 21 21 ALA CA C 52.315 . . 71 21 21 ALA CB C 18.099 . . 72 21 21 ALA N N 125.285 . . 73 22 22 THR H H 8.147 . . 74 22 22 THR CA C 61.998 . . 75 22 22 THR CB C 69.370 . . 76 22 22 THR N N 114.953 . . 77 23 23 SER H H 8.379 . . 78 23 23 SER CA C 58.018 . . 79 23 23 SER CB C 63.462 . . 80 23 23 SER N N 119.020 . . 81 24 24 THR H H 8.077 . . 82 24 24 THR CA C 61.495 . . 83 24 24 THR CB C 69.290 . . 84 24 24 THR N N 115.901 . . 85 25 25 ALA H H 8.133 . . 86 25 25 ALA CA C 50.262 . . 87 25 25 ALA CB C 17.337 . . 88 25 25 ALA N N 127.730 . . 89 26 26 PRO CA C 63.194 . . 90 26 26 PRO CB C 31.013 . . 91 27 27 SER H H 8.287 . . 92 27 27 SER CA C 58.086 . . 93 27 27 SER CB C 63.780 . . 94 27 27 SER N N 115.761 . . 95 28 28 SER H H 8.337 . . 96 28 28 SER CA C 58.392 . . 97 28 28 SER CB C 63.522 . . 98 28 28 SER N N 117.711 . . 99 29 29 ASP H H 8.282 . . 100 29 29 ASP CA C 54.418 . . 101 29 29 ASP CB C 40.571 . . 102 29 29 ASP N N 122.183 . . 103 30 30 SER H H 8.131 . . 104 30 30 SER CA C 58.139 . . 105 30 30 SER CB C 63.665 . . 106 30 30 SER N N 115.425 . . 107 31 31 GLY H H 8.253 . . 108 31 31 GLY CA C 44.852 . . 109 31 31 GLY N N 110.546 . . 110 32 32 GLU H H 8.167 . . 111 32 32 GLU CA C 56.678 . . 112 32 32 GLU CB C 30.443 . . 113 32 32 GLU N N 120.193 . . 114 33 33 VAL H H 8.060 . . 115 33 33 VAL HG1 H 0.922 . . 116 33 33 VAL HG2 H 0.998 . . 117 33 33 VAL CA C 61.448 . . 118 33 33 VAL CB C 33.023 . . 119 33 33 VAL CG1 C 21.803 . . 120 33 33 VAL CG2 C 21.285 . . 121 33 33 VAL N N 123.020 . . 122 34 34 VAL H H 9.120 . . 123 34 34 VAL HG1 H 0.825 . . 124 34 34 VAL HG2 H 0.894 . . 125 34 34 VAL CA C 58.959 . . 126 34 34 VAL CB C 35.535 . . 127 34 34 VAL CG1 C 19.477 . . 128 34 34 VAL CG2 C 21.249 . . 129 34 34 VAL N N 121.791 . . 130 35 35 THR H H 8.553 . . 131 35 35 THR CA C 62.410 . . 132 35 35 THR CB C 69.200 . . 133 35 35 THR N N 120.150 . . 134 36 36 ALA H H 8.057 . . 135 36 36 ALA CA C 51.698 . . 136 36 36 ALA CB C 18.482 . . 137 36 36 ALA N N 129.260 . . 138 37 37 THR H H 8.937 . . 139 37 37 THR CA C 60.084 . . 140 37 37 THR CB C 71.070 . . 141 37 37 THR N N 113.344 . . 142 38 38 ALA H H 8.844 . . 143 38 38 ALA CA C 55.177 . . 144 38 38 ALA CB C 16.749 . . 145 38 38 ALA N N 123.293 . . 146 39 39 ALA H H 8.304 . . 147 39 39 ALA CA C 55.437 . . 148 39 39 ALA CB C 17.200 . . 149 39 39 ALA N N 120.547 . . 150 40 40 GLN H H 7.689 . . 151 40 40 GLN CA C 58.435 . . 152 40 40 GLN CB C 28.082 . . 153 40 40 GLN N N 119.579 . . 154 41 41 ILE H H 8.357 . . 155 41 41 ILE HD1 H 0.974 . . 156 41 41 ILE CA C 64.972 . . 157 41 41 ILE CB C 36.937 . . 158 41 41 ILE CD1 C 13.305 . . 159 41 41 ILE N N 119.659 . . 160 42 42 LYS H H 8.108 . . 161 42 42 LYS CA C 59.565 . . 162 42 42 LYS CB C 31.118 . . 163 42 42 LYS N N 123.682 . . 164 43 43 GLU H H 7.225 . . 165 43 43 GLU CA C 59.278 . . 166 43 43 GLU CB C 28.977 . . 167 43 43 GLU N N 119.234 . . 168 44 44 LEU H H 7.697 . . 169 44 44 LEU HD1 H 0.900 . . 170 44 44 LEU HD2 H 1.014 . . 171 44 44 LEU CA C 57.048 . . 172 44 44 LEU CB C 42.273 . . 173 44 44 LEU CD1 C 24.932 . . 174 44 44 LEU CD2 C 20.904 . . 175 44 44 LEU N N 114.868 . . 176 45 45 THR H H 7.756 . . 177 45 45 THR CA C 65.972 . . 178 45 45 THR CB C 67.697 . . 179 45 45 THR N N 116.420 . . 180 46 46 ASN H H 7.450 . . 181 46 46 ASN CA C 55.210 . . 182 46 46 ASN CB C 36.838 . . 183 46 46 ASN N N 120.142 . . 184 47 47 TYR H H 6.760 . . 185 47 47 TYR CA C 59.114 . . 186 47 47 TYR CB C 34.412 . . 187 47 47 TYR N N 115.812 . . 188 48 48 ALA H H 7.799 . . 189 48 48 ALA CA C 54.462 . . 190 48 48 ALA CB C 17.382 . . 191 48 48 ALA N N 126.773 . . 192 49 49 GLY H H 8.232 . . 193 49 49 GLY CA C 46.599 . . 194 49 49 GLY N N 111.977 . . 195 50 50 VAL H H 7.529 . . 196 50 50 VAL HG1 H 0.777 . . 197 50 50 VAL HG2 H 0.771 . . 198 50 50 VAL CA C 67.391 . . 199 50 50 VAL CB C 31.085 . . 200 50 50 VAL CG1 C 21.322 . . 201 50 50 VAL CG2 C 22.610 . . 202 50 50 VAL N N 119.849 . . 203 51 51 ALA H H 8.124 . . 204 51 51 ALA CA C 55.341 . . 205 51 51 ALA N N 123.341 . . 206 52 52 ALA H H 7.505 . . 207 52 52 ALA CA C 54.681 . . 208 52 52 ALA CB C 18.681 . . 209 52 52 ALA N N 119.572 . . 210 53 53 THR H H 7.880 . . 211 53 53 THR CA C 65.180 . . 212 53 53 THR CB C 68.983 . . 213 53 53 THR N N 112.547 . . 214 54 54 ALA H H 7.342 . . 215 54 54 ALA CA C 53.716 . . 216 54 54 ALA CB C 16.589 . . 217 54 54 ALA N N 120.389 . . 218 55 55 TYR H H 7.135 . . 219 55 55 TYR CA C 59.149 . . 220 55 55 TYR CB C 37.343 . . 221 55 55 TYR N N 112.670 . . 222 56 56 CYS H H 7.834 . . 223 56 56 CYS CA C 53.887 . . 224 56 56 CYS CB C 41.875 . . 225 56 56 CYS N N 119.886 . . 226 58 58 SER CA C 60.096 . . 227 58 58 SER CB C 62.302 . . 228 59 59 VAL H H 6.978 . . 229 59 59 VAL HG1 H 0.951 . . 230 59 59 VAL HG2 H 0.602 . . 231 59 59 VAL CA C 64.510 . . 232 59 59 VAL CB C 31.538 . . 233 59 59 VAL CG1 C 22.686 . . 234 59 59 VAL CG2 C 21.718 . . 235 59 59 VAL N N 122.521 . . 236 60 60 VAL H H 7.807 . . 237 60 60 VAL HG1 H 0.920 . . 238 60 60 VAL HG2 H 0.950 . . 239 60 60 VAL CA C 57.918 . . 240 60 60 VAL CB C 33.741 . . 241 60 60 VAL CG1 C 21.036 . . 242 60 60 VAL CG2 C 21.054 . . 243 60 60 VAL N N 116.859 . . 244 61 61 PRO CA C 64.571 . . 245 61 61 PRO CB C 33.366 . . 246 62 62 GLY H H 8.464 . . 247 62 62 GLY CA C 48.024 . . 248 62 62 GLY N N 113.212 . . 249 63 63 THR H H 7.943 . . 250 63 63 THR CA C 62.325 . . 251 63 63 THR CB C 67.868 . . 252 63 63 THR N N 112.308 . . 253 64 64 LYS H H 8.465 . . 254 64 64 LYS CA C 54.141 . . 255 64 64 LYS CB C 34.150 . . 256 64 64 LYS N N 120.245 . . 257 65 65 TRP H H 9.014 . . 258 65 65 TRP CA C 52.949 . . 259 65 65 TRP CB C 27.565 . . 260 65 65 TRP N N 126.959 . . 261 66 66 ASP H H 7.235 . . 262 66 66 ASP CA C 52.692 . . 263 66 66 ASP CB C 39.928 . . 264 66 66 ASP N N 118.175 . . 265 67 67 CYS H H 7.243 . . 266 67 67 CYS CA C 57.197 . . 267 67 67 CYS CB C 39.331 . . 268 67 67 CYS N N 116.467 . . 269 68 68 LYS H H 8.538 . . 270 68 68 LYS CA C 60.323 . . 271 68 68 LYS CB C 30.901 . . 272 68 68 LYS N N 123.974 . . 273 69 69 GLN H H 9.208 . . 274 69 69 GLN CA C 56.599 . . 275 69 69 GLN CB C 25.489 . . 276 69 69 GLN N N 116.760 . . 277 70 70 CYS H H 8.281 . . 278 70 70 CYS CA C 62.326 . . 279 70 70 CYS CB C 33.065 . . 280 70 70 CYS N N 116.816 . . 281 71 71 LEU H H 6.914 . . 282 71 71 LEU HD1 H 0.838 . . 283 71 71 LEU HD2 H 0.770 . . 284 71 71 LEU CA C 55.278 . . 285 71 71 LEU CB C 39.901 . . 286 71 71 LEU CD1 C 21.959 . . 287 71 71 LEU CD2 C 25.072 . . 288 71 71 LEU N N 115.932 . . 289 72 72 LYS H H 6.870 . . 290 72 72 LYS CA C 58.209 . . 291 72 72 LYS CB C 31.596 . . 292 72 72 LYS N N 118.617 . . 293 73 73 TYR H H 7.240 . . 294 73 73 TYR CA C 60.784 . . 295 73 73 TYR CB C 38.169 . . 296 73 73 TYR N N 112.607 . . 297 74 74 VAL H H 7.856 . . 298 74 74 VAL HG1 H 0.733 . . 299 74 74 VAL HG2 H 0.874 . . 300 74 74 VAL CA C 59.504 . . 301 74 74 VAL CB C 31.056 . . 302 74 74 VAL CG1 C 19.747 . . 303 74 74 VAL CG2 C 22.979 . . 304 74 74 VAL N N 116.120 . . 305 75 75 PRO CA C 65.706 . . 306 75 75 PRO CB C 30.884 . . 307 76 76 ASP H H 7.836 . . 308 76 76 ASP CA C 52.408 . . 309 76 76 ASP CB C 40.038 . . 310 76 76 ASP N N 116.182 . . 311 77 77 GLY H H 7.961 . . 312 77 77 GLY CA C 46.733 . . 313 77 77 GLY N N 107.290 . . 314 78 78 LYS H H 8.083 . . 315 78 78 LYS CA C 53.704 . . 316 78 78 LYS CB C 32.927 . . 317 78 78 LYS N N 123.072 . . 318 79 79 LEU H H 8.923 . . 319 79 79 LEU HD1 H 0.454 . . 320 79 79 LEU HD2 H 0.639 . . 321 79 79 LEU CA C 54.991 . . 322 79 79 LEU CB C 41.387 . . 323 79 79 LEU CD1 C 25.097 . . 324 79 79 LEU CD2 C 25.643 . . 325 79 79 LEU N N 127.647 . . 326 80 80 ILE H H 8.874 . . 327 80 80 ILE HD1 H 0.544 . . 328 80 80 ILE CA C 59.535 . . 329 80 80 ILE CB C 36.064 . . 330 80 80 ILE CD1 C 8.583 . . 331 80 80 ILE N N 126.840 . . 332 81 81 LYS H H 7.370 . . 333 81 81 LYS CA C 55.263 . . 334 81 81 LYS CB C 36.460 . . 335 81 81 LYS N N 116.886 . . 336 82 82 THR H H 8.600 . . 337 82 82 THR CA C 60.526 . . 338 82 82 THR CB C 70.873 . . 339 82 82 THR N N 116.566 . . 340 83 83 PHE H H 7.994 . . 341 83 83 PHE CA C 56.174 . . 342 83 83 PHE CB C 39.880 . . 343 83 83 PHE N N 116.143 . . 344 84 84 THR H H 8.459 . . 345 84 84 THR CA C 61.027 . . 346 84 84 THR CB C 73.489 . . 347 84 84 THR N N 115.113 . . 348 85 85 SER H H 8.866 . . 349 85 85 SER CA C 56.210 . . 350 85 85 SER CB C 63.315 . . 351 85 85 SER N N 119.753 . . 352 86 86 LEU H H 8.866 . . 353 86 86 LEU HD1 H 0.976 . . 354 86 86 LEU HD2 H 0.923 . . 355 86 86 LEU CA C 57.053 . . 356 86 86 LEU CB C 41.456 . . 357 86 86 LEU CD1 C 24.758 . . 358 86 86 LEU CD2 C 23.382 . . 359 86 86 LEU N N 128.858 . . 360 87 87 LEU H H 8.069 . . 361 87 87 LEU HD1 H 0.952 . . 362 87 87 LEU HD2 H 0.901 . . 363 87 87 LEU CA C 56.872 . . 364 87 87 LEU CB C 41.580 . . 365 87 87 LEU CD1 C 24.429 . . 366 87 87 LEU CD2 C 23.449 . . 367 87 87 LEU N N 117.908 . . 368 89 89 ASP H H 8.044 . . 369 89 89 ASP CA C 55.177 . . 370 89 89 ASP CB C 39.371 . . 371 89 89 ASP N N 122.228 . . 372 90 90 THR H H 7.463 . . 373 90 90 THR CA C 63.121 . . 374 90 90 THR CB C 68.838 . . 375 90 90 THR N N 114.765 . . 376 91 91 ASN H H 9.143 . . 377 91 91 ASN CA C 50.819 . . 378 91 91 ASN CB C 44.084 . . 379 91 91 ASN N N 124.395 . . 380 92 92 GLY H H 7.994 . . 381 92 92 GLY CA C 46.458 . . 382 92 92 GLY N N 106.131 . . 383 94 94 ILE HD1 H 1.157 . . 384 94 94 ILE CD1 C 16.240 . . 385 95 95 LEU HD1 H -0.953 . . 386 95 95 LEU HD2 H -0.146 . . 387 95 95 LEU CA C 54.148 . . 388 95 95 LEU CB C 45.635 . . 389 95 95 LEU CD1 C 22.540 . . 390 95 95 LEU CD2 C 26.940 . . 391 96 96 ARG H H 10.313 . . 392 96 96 ARG CA C 54.972 . . 393 96 96 ARG CB C 32.668 . . 394 96 96 ARG N N 126.412 . . 395 97 97 SER H H 9.132 . . 396 97 97 SER CA C 54.761 . . 397 97 97 SER CB C 63.819 . . 398 97 97 SER N N 122.245 . . 399 98 98 ASP H H 8.977 . . 400 98 98 ASP CA C 56.874 . . 401 98 98 ASP CB C 39.682 . . 402 98 98 ASP N N 131.315 . . 403 99 99 ALA H H 10.234 . . 404 99 99 ALA CA C 54.897 . . 405 99 99 ALA CB C 17.017 . . 406 99 99 ALA N N 125.906 . . 407 100 100 GLN H H 7.678 . . 408 100 100 GLN CA C 54.004 . . 409 100 100 GLN CB C 26.700 . . 410 100 100 GLN N N 112.210 . . 411 101 101 LYS H H 7.427 . . 412 101 101 LYS CA C 56.637 . . 413 101 101 LYS CB C 29.104 . . 414 101 101 LYS N N 123.279 . . 415 102 102 THR H H 7.703 . . 416 102 102 THR CA C 61.474 . . 417 102 102 THR CB C 73.818 . . 418 102 102 THR N N 112.158 . . 419 103 103 ILE H H 9.488 . . 420 103 103 ILE HD1 H 0.738 . . 421 103 103 ILE CA C 60.474 . . 422 103 103 ILE CB C 39.560 . . 423 103 103 ILE CD1 C 13.917 . . 424 103 103 ILE N N 129.031 . . 425 104 104 TYR H H 9.690 . . 426 104 104 TYR CA C 56.784 . . 427 104 104 TYR CB C 40.176 . . 428 104 104 TYR N N 125.367 . . 429 105 105 VAL H H 8.957 . . 430 105 105 VAL HG1 H 0.471 . . 431 105 105 VAL HG2 H 0.834 . . 432 105 105 VAL CA C 61.020 . . 433 105 105 VAL CB C 32.829 . . 434 105 105 VAL CG1 C 22.301 . . 435 105 105 VAL CG2 C 21.138 . . 436 105 105 VAL N N 123.583 . . 437 106 106 THR H H 7.879 . . 438 106 106 THR CA C 60.123 . . 439 106 106 THR CB C 70.264 . . 440 106 106 THR N N 122.529 . . 441 107 107 PHE H H 7.659 . . 442 107 107 PHE CA C 56.058 . . 443 107 107 PHE CB C 45.566 . . 444 107 107 PHE N N 119.532 . . 445 108 108 ARG H H 9.258 . . 446 108 108 ARG CA C 55.477 . . 447 108 108 ARG CB C 31.564 . . 448 108 108 ARG N N 115.081 . . 449 109 109 GLY H H 9.644 . . 450 109 109 GLY CA C 43.972 . . 451 109 109 GLY N N 112.192 . . 452 110 110 THR H H 8.185 . . 453 110 110 THR CA C 60.957 . . 454 110 110 THR CB C 68.011 . . 455 110 110 THR N N 116.990 . . 456 111 111 ASN H H 7.834 . . 457 111 111 ASN CA C 51.005 . . 458 111 111 ASN CB C 37.235 . . 459 111 111 ASN N N 120.705 . . 460 112 112 SER H H 8.302 . . 461 112 112 SER CA C 55.002 . . 462 112 112 SER CB C 60.771 . . 463 112 112 SER N N 119.415 . . 464 113 113 PHE H H 6.952 . . 465 113 113 PHE CA C 62.147 . . 466 113 113 PHE CB C 38.940 . . 467 113 113 PHE N N 118.498 . . 468 114 114 ARG H H 8.592 . . 469 114 114 ARG CA C 60.647 . . 470 114 114 ARG CB C 28.592 . . 471 114 114 ARG N N 117.524 . . 472 115 115 SER H H 8.255 . . 473 115 115 SER CA C 60.566 . . 474 115 115 SER CB C 62.251 . . 475 115 115 SER N N 114.804 . . 476 116 116 ALA H H 7.990 . . 477 116 116 ALA CA C 54.302 . . 478 116 116 ALA CB C 16.712 . . 479 116 116 ALA N N 123.230 . . 480 117 117 ILE H H 7.678 . . 481 117 117 ILE HD1 H 0.661 . . 482 117 117 ILE CA C 61.387 . . 483 117 117 ILE CB C 35.457 . . 484 117 117 ILE CD1 C 10.617 . . 485 117 117 ILE N N 113.865 . . 486 118 118 THR H H 8.462 . . 487 118 118 THR CA C 65.698 . . 488 118 118 THR CB C 68.489 . . 489 118 118 THR N N 113.576 . . 490 119 119 ASP H H 8.132 . . 491 119 119 ASP CA C 53.667 . . 492 119 119 ASP CB C 39.598 . . 493 119 119 ASP N N 119.101 . . 494 120 120 MET H H 6.818 . . 495 120 120 MET CA C 57.276 . . 496 120 120 MET CB C 32.879 . . 497 120 120 MET N N 122.031 . . 498 121 121 VAL H H 8.484 . . 499 121 121 VAL HG1 H 0.861 . . 500 121 121 VAL HG2 H 0.825 . . 501 121 121 VAL CA C 59.610 . . 502 121 121 VAL CB C 32.854 . . 503 121 121 VAL CG1 C 21.471 . . 504 121 121 VAL CG2 C 19.477 . . 505 121 121 VAL N N 122.481 . . 506 122 122 PHE H H 8.390 . . 507 122 122 PHE CA C 53.877 . . 508 122 122 PHE CB C 36.802 . . 509 122 122 PHE N N 120.937 . . 510 123 123 THR H H 7.119 . . 511 123 123 THR CA C 63.403 . . 512 123 123 THR CB C 69.439 . . 513 123 123 THR N N 117.858 . . 514 124 124 PHE H H 8.834 . . 515 124 124 PHE CA C 56.969 . . 516 124 124 PHE CB C 42.312 . . 517 124 124 PHE N N 126.618 . . 518 125 125 THR H H 9.255 . . 519 125 125 THR CA C 60.307 . . 520 125 125 THR CB C 70.775 . . 521 125 125 THR N N 114.726 . . 522 126 126 ASP H H 7.851 . . 523 126 126 ASP CA C 56.401 . . 524 126 126 ASP CB C 40.524 . . 525 126 126 ASP N N 124.119 . . 526 127 127 TYR H H 8.083 . . 527 127 127 TYR CA C 56.247 . . 528 127 127 TYR CB C 37.074 . . 529 127 127 TYR N N 125.469 . . 530 128 128 SER H H 8.758 . . 531 128 128 SER N N 120.013 . . 532 129 129 PRO CA C 64.746 . . 533 129 129 PRO CB C 31.191 . . 534 130 130 VAL H H 7.255 . . 535 130 130 VAL HG1 H 0.711 . . 536 130 130 VAL HG2 H -0.046 . . 537 130 130 VAL CA C 60.207 . . 538 130 130 VAL CB C 34.766 . . 539 130 130 VAL CG1 C 20.595 . . 540 130 130 VAL CG2 C 18.906 . . 541 130 130 VAL N N 115.610 . . 542 131 131 LYS H H 8.389 . . 543 131 131 LYS CA C 57.994 . . 544 131 131 LYS CB C 30.566 . . 545 131 131 LYS N N 129.524 . . 546 132 132 GLY H H 8.491 . . 547 132 132 GLY CA C 44.542 . . 548 132 132 GLY N N 114.225 . . 549 133 133 ALA H H 8.053 . . 550 133 133 ALA CA C 51.173 . . 551 133 133 ALA CB C 19.212 . . 552 133 133 ALA N N 122.525 . . 553 134 134 LYS H H 7.732 . . 554 134 134 LYS CA C 54.058 . . 555 134 134 LYS CB C 35.621 . . 556 134 134 LYS N N 120.864 . . 557 135 135 VAL HG1 H -0.123 . . 558 135 135 VAL HG2 H 0.515 . . 559 135 135 VAL CG1 C 21.312 . . 560 135 135 VAL CG2 C 20.445 . . 561 136 136 HIS H H 8.853 . . 562 136 136 HIS CA C 58.192 . . 563 136 136 HIS CB C 31.866 . . 564 136 136 HIS N N 125.027 . . 565 137 137 ALA H H 7.965 . . 566 137 137 ALA CA C 54.956 . . 567 137 137 ALA CB C 17.486 . . 568 137 137 ALA N N 129.296 . . 569 138 138 GLY H H 7.476 . . 570 138 138 GLY CA C 46.681 . . 571 138 138 GLY N N 110.001 . . 572 139 139 PHE H H 11.059 . . 573 139 139 PHE CA C 57.102 . . 574 139 139 PHE CB C 36.151 . . 575 139 139 PHE N N 128.223 . . 576 140 140 LEU H H 8.115 . . 577 140 140 LEU HD1 H 1.003 . . 578 140 140 LEU HD2 H 1.134 . . 579 140 140 LEU CA C 57.769 . . 580 140 140 LEU CB C 40.101 . . 581 140 140 LEU CD1 C 26.030 . . 582 140 140 LEU CD2 C 23.111 . . 583 140 140 LEU N N 119.638 . . 584 141 141 SER H H 8.111 . . 585 141 141 SER CA C 61.050 . . 586 141 141 SER CB C 62.603 . . 587 141 141 SER N N 114.391 . . 588 142 142 SER H H 8.228 . . 589 142 142 SER CA C 62.684 . . 590 142 142 SER CB C 64.060 . . 591 142 142 SER N N 117.839 . . 592 143 143 TYR H H 8.083 . . 593 143 143 TYR CA C 62.303 . . 594 143 143 TYR CB C 35.451 . . 595 143 143 TYR N N 125.527 . . 596 144 144 ASN H H 8.478 . . 597 144 144 ASN CA C 54.828 . . 598 144 144 ASN CB C 37.223 . . 599 144 144 ASN N N 116.342 . . 600 145 145 GLN H H 7.621 . . 601 145 145 GLN CA C 57.359 . . 602 145 145 GLN CB C 28.098 . . 603 145 145 GLN N N 117.646 . . 604 146 146 VAL H H 7.444 . . 605 146 146 VAL HG1 H 0.997 . . 606 146 146 VAL HG2 H 1.025 . . 607 146 146 VAL CA C 61.154 . . 608 146 146 VAL CB C 32.779 . . 609 146 146 VAL CG1 C 21.672 . . 610 146 146 VAL CG2 C 18.699 . . 611 146 146 VAL N N 110.222 . . 612 147 147 VAL H H 7.663 . . 613 147 147 VAL HG1 H 0.795 . . 614 147 147 VAL HG2 H 0.825 . . 615 147 147 VAL CA C 64.751 . . 616 147 147 VAL CB C 29.954 . . 617 147 147 VAL CG1 C 22.699 . . 618 147 147 VAL CG2 C 19.477 . . 619 147 147 VAL N N 124.510 . . 620 148 148 LYS H H 7.780 . . 621 148 148 LYS CA C 58.053 . . 622 148 148 LYS CB C 30.154 . . 623 148 148 LYS N N 118.173 . . 624 149 149 ASP H H 7.314 . . 625 149 149 ASP CA C 55.255 . . 626 149 149 ASP CB C 41.683 . . 627 149 149 ASP N N 115.567 . . 628 150 150 TYR H H 7.080 . . 629 150 150 TYR CA C 57.561 . . 630 150 150 TYR CB C 40.152 . . 631 150 150 TYR N N 116.106 . . 632 151 151 PHE H H 7.172 . . 633 151 151 PHE CA C 63.288 . . 634 151 151 PHE N N 128.251 . . 635 153 153 VAL CA C 64.761 . . 636 153 153 VAL CB C 30.181 . . 637 154 154 VAL H H 6.492 . . 638 154 154 VAL HG1 H 1.009 . . 639 154 154 VAL HG2 H 1.037 . . 640 154 154 VAL CA C 64.761 . . 641 154 154 VAL CB C 30.181 . . 642 154 154 VAL CG1 C 22.763 . . 643 154 154 VAL CG2 C 22.142 . . 644 154 154 VAL N N 116.331 . . 645 155 155 GLN H H 7.292 . . 646 155 155 GLN CA C 60.123 . . 647 155 155 GLN CB C 28.392 . . 648 155 155 GLN N N 115.337 . . 649 156 156 ASP H H 7.962 . . 650 156 156 ASP CA C 57.282 . . 651 156 156 ASP CB C 40.264 . . 652 156 156 ASP N N 119.995 . . 653 157 157 GLN H H 8.398 . . 654 157 157 GLN CA C 56.846 . . 655 157 157 GLN CB C 29.745 . . 656 157 157 GLN N N 120.552 . . 657 158 158 LEU H H 8.139 . . 658 158 158 LEU HD1 H 0.700 . . 659 158 158 LEU HD2 H 0.639 . . 660 158 158 LEU CA C 56.401 . . 661 158 158 LEU CB C 41.431 . . 662 158 158 LEU CD1 C 24.442 . . 663 158 158 LEU CD2 C 24.050 . . 664 158 158 LEU N N 120.206 . . 665 159 159 THR H H 7.594 . . 666 159 159 THR CA C 65.011 . . 667 159 159 THR CB C 68.295 . . 668 159 159 THR N N 114.851 . . 669 160 160 ALA H H 7.100 . . 670 160 160 ALA CA C 53.670 . . 671 160 160 ALA CB C 18.855 . . 672 160 160 ALA N N 122.693 . . 673 162 162 PRO CA C 65.141 . . 674 162 162 PRO CB C 31.286 . . 675 163 163 ASP H H 8.749 . . 676 163 163 ASP CA C 52.444 . . 677 163 163 ASP CB C 39.239 . . 678 163 163 ASP N N 116.821 . . 679 165 165 LYS H H 8.195 . . 680 165 165 LYS CA C 56.831 . . 681 165 165 LYS CB C 27.329 . . 682 165 165 LYS N N 118.735 . . 683 166 166 VAL H H 8.912 . . 684 166 166 VAL CA C 60.831 . . 685 166 166 VAL CB C 32.175 . . 686 166 166 VAL N N 122.686 . . 687 167 167 ILE H H 8.477 . . 688 167 167 ILE HD1 H 0.506 . . 689 167 167 ILE CA C 58.393 . . 690 167 167 ILE CB C 38.480 . . 691 167 167 ILE CD1 C 11.985 . . 692 167 167 ILE N N 128.502 . . 693 168 168 VAL H H 8.562 . . 694 168 168 VAL HG1 H 1.312 . . 695 168 168 VAL HG2 H 0.847 . . 696 168 168 VAL CA C 58.937 . . 697 168 168 VAL CB C 31.894 . . 698 168 168 VAL CG1 C 23.357 . . 699 168 168 VAL CG2 C 21.671 . . 700 168 168 VAL N N 128.372 . . 701 169 169 THR H H 9.351 . . 702 169 169 THR CA C 58.336 . . 703 169 169 THR CB C 71.985 . . 704 169 169 THR N N 119.948 . . 705 170 170 GLY H H 7.061 . . 706 170 170 GLY CA C 45.918 . . 707 170 170 GLY N N 106.188 . . 708 173 173 LEU H H 8.010 . . 709 173 173 LEU HD1 H 0.992 . . 710 173 173 LEU HD2 H 0.987 . . 711 173 173 LEU CA C 58.907 . . 712 173 173 LEU CB C 38.731 . . 713 173 173 LEU CD1 C 23.365 . . 714 173 173 LEU CD2 C 24.146 . . 715 173 173 LEU N N 124.834 . . 716 174 174 GLY H H 9.069 . . 717 174 174 GLY CA C 46.453 . . 718 174 174 GLY N N 109.004 . . 719 175 175 GLY H H 7.814 . . 720 175 175 GLY CA C 46.680 . . 721 175 175 GLY N N 112.039 . . 722 176 176 ALA H H 6.541 . . 723 176 176 ALA CA C 54.123 . . 724 176 176 ALA CB C 18.538 . . 725 176 176 ALA N N 123.183 . . 726 177 177 GLN H H 6.611 . . 727 177 177 GLN CA C 56.946 . . 728 177 177 GLN CB C 27.299 . . 729 177 177 GLN N N 113.691 . . 730 178 178 ALA H H 7.695 . . 731 178 178 ALA CA C 54.861 . . 732 178 178 ALA CB C 16.293 . . 733 178 178 ALA N N 119.855 . . 734 179 179 LEU H H 7.479 . . 735 179 179 LEU CA C 57.605 . . 736 179 179 LEU CB C 40.022 . . 737 179 179 LEU N N 118.274 . . 738 180 180 LEU H H 7.373 . . 739 180 180 LEU HD1 H 0.503 . . 740 180 180 LEU HD2 H -0.168 . . 741 180 180 LEU CA C 57.580 . . 742 180 180 LEU CB C 40.049 . . 743 180 180 LEU CD1 C 21.801 . . 744 180 180 LEU CD2 C 20.495 . . 745 180 180 LEU N N 118.031 . . 746 181 181 ALA H H 8.938 . . 747 181 181 ALA CA C 54.155 . . 748 181 181 ALA CB C 19.538 . . 749 181 181 ALA N N 123.757 . . 750 182 182 GLY H H 8.665 . . 751 182 182 GLY CA C 46.705 . . 752 182 182 GLY N N 104.425 . . 753 187 187 GLN CA C 58.165 . . 754 188 188 ARG H H 8.401 . . 755 188 188 ARG CA C 57.330 . . 756 188 188 ARG N N 113.735 . . 757 189 189 GLU H H 8.905 . . 758 189 189 GLU CA C 53.858 . . 759 189 189 GLU CB C 27.169 . . 760 189 189 GLU N N 125.716 . . 761 190 190 LYS H H 7.872 . . 762 190 190 LYS CA C 56.593 . . 763 190 190 LYS CB C 29.853 . . 764 190 190 LYS N N 121.181 . . 765 191 191 ARG H H 8.936 . . 766 191 191 ARG CA C 57.483 . . 767 191 191 ARG CB C 29.766 . . 768 191 191 ARG N N 118.437 . . 769 192 192 LEU H H 8.298 . . 770 192 192 LEU HD1 H 0.892 . . 771 192 192 LEU HD2 H 0.910 . . 772 192 192 LEU CA C 53.191 . . 773 192 192 LEU CB C 42.249 . . 774 192 192 LEU CD1 C 28.116 . . 775 192 192 LEU CD2 C 22.303 . . 776 192 192 LEU N N 121.515 . . 777 193 193 SER H H 9.233 . . 778 193 193 SER CA C 57.481 . . 779 193 193 SER CB C 64.498 . . 780 193 193 SER N N 118.303 . . 781 194 194 PRO CA C 64.703 . . 782 194 194 PRO CB C 30.555 . . 783 195 195 LYS H H 7.700 . . 784 195 195 LYS CA C 57.598 . . 785 195 195 LYS CB C 31.712 . . 786 195 195 LYS N N 114.546 . . 787 196 196 ASN H H 8.130 . . 788 196 196 ASN CA C 52.364 . . 789 196 196 ASN CB C 37.433 . . 790 196 196 ASN N N 116.428 . . 791 197 197 LEU H H 7.620 . . 792 197 197 LEU HD1 H 0.829 . . 793 197 197 LEU CA C 53.811 . . 794 197 197 LEU CB C 41.120 . . 795 197 197 LEU CD1 C 26.005 . . 796 197 197 LEU N N 122.706 . . 797 198 198 SER H H 8.204 . . 798 198 198 SER CA C 58.094 . . 799 198 198 SER CB C 63.772 . . 800 198 198 SER N N 115.681 . . 801 199 199 ILE H H 8.335 . . 802 199 199 ILE CA C 51.734 . . 803 199 199 ILE CB C 38.663 . . 804 199 199 ILE N N 123.238 . . 805 200 200 TYR H H 7.191 . . 806 200 200 TYR CA C 57.945 . . 807 200 200 TYR CB C 38.123 . . 808 200 200 TYR N N 117.314 . . 809 208 208 GLY H H 8.466 . . 810 208 208 GLY CA C 45.293 . . 811 208 208 GLY N N 106.244 . . 812 209 209 ASN H H 7.894 . . 813 209 209 ASN CA C 50.440 . . 814 209 209 ASN CB C 38.911 . . 815 209 209 ASN N N 115.523 . . 816 210 210 ASN H H 8.174 . . 817 210 210 ASN CA C 57.482 . . 818 210 210 ASN CB C 35.560 . . 819 210 210 ASN N N 116.516 . . 820 211 211 ALA H H 7.704 . . 821 211 211 ALA CA C 54.624 . . 822 211 211 ALA CB C 16.852 . . 823 211 211 ALA N N 120.173 . . 824 212 212 PHE H H 7.877 . . 825 212 212 PHE CA C 61.768 . . 826 212 212 PHE CB C 38.623 . . 827 212 212 PHE N N 119.636 . . 828 213 213 ALA H H 8.677 . . 829 213 213 ALA CA C 55.842 . . 830 213 213 ALA CB C 17.353 . . 831 213 213 ALA N N 123.919 . . 832 214 214 TYR H H 8.731 . . 833 214 214 TYR CA C 60.515 . . 834 214 214 TYR CB C 36.291 . . 835 214 214 TYR N N 115.892 . . 836 215 215 TYR H H 7.940 . . 837 215 215 TYR CA C 60.310 . . 838 215 215 TYR CB C 36.334 . . 839 215 215 TYR N N 123.380 . . 840 216 216 VAL H H 8.285 . . 841 216 216 VAL HG1 H 0.559 . . 842 216 216 VAL HG2 H 0.310 . . 843 216 216 VAL CA C 65.197 . . 844 216 216 VAL CB C 30.211 . . 845 216 216 VAL CG1 C 19.677 . . 846 216 216 VAL CG2 C 21.228 . . 847 216 216 VAL N N 122.803 . . 848 217 217 ASP H H 7.973 . . 849 217 217 ASP CA C 57.364 . . 850 217 217 ASP CB C 40.794 . . 851 217 217 ASP N N 120.944 . . 852 218 218 SER H H 8.020 . . 853 218 218 SER CA C 60.864 . . 854 218 218 SER CB C 62.514 . . 855 218 218 SER N N 117.505 . . 856 219 219 THR H H 7.094 . . 857 219 219 THR CA C 64.143 . . 858 219 219 THR CB C 70.283 . . 859 219 219 THR N N 113.014 . . 860 220 220 GLY H H 6.984 . . 861 220 220 GLY CA C 44.880 . . 862 220 220 GLY N N 105.627 . . 863 221 221 ILE HD1 H 0.387 . . 864 221 221 ILE CD1 C 9.225 . . 865 229 229 LYS CA C 62.452 . . 866 230 230 ARG H H 8.681 . . 867 230 230 ARG CA C 54.418 . . 868 230 230 ARG N N 125.144 . . 869 233 233 VAL HG1 H 0.029 . . 870 233 233 VAL HG2 H 0.680 . . 871 233 233 VAL CG1 C 21.923 . . 872 233 233 VAL CG2 C 21.833 . . 873 240 240 ALA CA C 53.916 . . 874 240 240 ALA CB C 16.996 . . 875 241 241 PHE H H 7.278 . . 876 241 241 PHE CA C 58.100 . . 877 241 241 PHE CB C 38.465 . . 878 241 241 PHE N N 114.796 . . 879 242 242 GLY H H 8.352 . . 880 242 242 GLY CA C 44.084 . . 881 242 242 GLY N N 106.174 . . 882 243 243 TYR H H 6.622 . . 883 243 243 TYR CA C 58.570 . . 884 243 243 TYR CB C 40.393 . . 885 243 243 TYR N N 118.517 . . 886 244 244 LEU H H 8.952 . . 887 244 244 LEU CA C 53.908 . . 888 244 244 LEU CB C 40.250 . . 889 244 244 LEU N N 122.258 . . 890 246 246 PRO CA C 62.151 . . 891 246 246 PRO CB C 31.514 . . 892 247 247 GLY H H 7.480 . . 893 247 247 GLY CA C 44.794 . . 894 247 247 GLY N N 106.526 . . 895 248 248 VAL H H 7.705 . . 896 248 248 VAL HG2 H 0.794 . . 897 248 248 VAL CA C 61.991 . . 898 248 248 VAL CB C 32.533 . . 899 248 248 VAL CG2 C 20.934 . . 900 248 248 VAL N N 121.679 . . 901 249 249 GLU H H 9.283 . . 902 249 249 GLU CA C 57.694 . . 903 249 249 GLU CB C 28.023 . . 904 249 249 GLU N N 131.214 . . 905 250 250 SER H H 8.337 . . 906 250 250 SER CA C 60.168 . . 907 250 250 SER CB C 61.810 . . 908 250 250 SER N N 114.770 . . 909 252 252 ILE HD1 H -0.001 . . 910 252 252 ILE CA C 59.394 . . 911 252 252 ILE CD1 C 13.574 . . 912 253 253 LYS H H 8.910 . . 913 253 253 LYS CA C 56.753 . . 914 253 253 LYS CB C 31.450 . . 915 253 253 LYS N N 120.160 . . 916 254 254 GLU H H 7.655 . . 917 254 254 GLU CA C 57.291 . . 918 254 254 GLU CB C 29.154 . . 919 254 254 GLU N N 114.224 . . 920 255 255 ASP H H 8.470 . . 921 255 255 ASP CA C 52.057 . . 922 255 255 ASP CB C 37.900 . . 923 255 255 ASP N N 116.338 . . 924 256 256 PRO CA C 63.650 . . 925 256 256 PRO CB C 33.786 . . 926 257 257 ALA H H 8.329 . . 927 257 257 ALA CA C 52.248 . . 928 257 257 ALA CB C 18.245 . . 929 257 257 ALA N N 124.156 . . 930 258 258 ASP H H 7.971 . . 931 258 258 ASP CA C 53.531 . . 932 258 258 ASP CB C 38.663 . . 933 258 258 ASP N N 122.462 . . 934 259 259 VAL H H 7.696 . . 935 259 259 VAL HG1 H 0.967 . . 936 259 259 VAL HG2 H 0.692 . . 937 259 259 VAL CA C 60.675 . . 938 259 259 VAL CB C 32.885 . . 939 259 259 VAL CG1 C 22.242 . . 940 259 259 VAL CG2 C 21.675 . . 941 259 259 VAL N N 123.532 . . 942 260 260 GLN H H 9.191 . . 943 260 260 GLN CA C 53.645 . . 944 260 260 GLN CB C 32.370 . . 945 260 260 GLN N N 130.214 . . 946 261 261 ILE H H 9.703 . . 947 261 261 ILE HD1 H 0.798 . . 948 261 261 ILE CA C 59.511 . . 949 261 261 ILE CB C 38.677 . . 950 261 261 ILE CD1 C 12.914 . . 951 261 261 ILE N N 126.531 . . 952 262 262 CYS H H 8.754 . . 953 262 262 CYS CA C 59.469 . . 954 262 262 CYS CB C 42.403 . . 955 262 262 CYS N N 127.305 . . 956 263 263 THR H H 7.957 . . 957 263 263 THR CA C 63.631 . . 958 263 263 THR CB C 68.958 . . 959 263 263 THR N N 113.204 . . 960 264 264 SER H H 7.930 . . 961 264 264 SER CA C 58.373 . . 962 264 264 SER CB C 63.537 . . 963 264 264 SER N N 116.556 . . 964 266 266 ILE HD1 H 0.378 . . 965 266 266 ILE CA C 57.625 . . 966 266 266 ILE CB C 38.200 . . 967 266 266 ILE CD1 C 9.194 . . 968 267 267 GLU H H 7.330 . . 969 267 267 GLU CA C 58.008 . . 970 267 267 GLU CB C 29.869 . . 971 267 267 GLU N N 123.808 . . 972 268 268 THR H H 8.699 . . 973 268 268 THR CA C 59.422 . . 974 268 268 THR CB C 73.085 . . 975 268 268 THR N N 113.630 . . 976 270 270 GLN CA C 62.025 . . 977 270 270 GLN CB C 31.057 . . 978 271 271 CYS H H 8.217 . . 979 271 271 CYS CA C 59.290 . . 980 271 271 CYS CB C 37.218 . . 981 271 271 CYS N N 123.520 . . 982 272 272 SER H H 8.871 . . 983 272 272 SER CA C 63.172 . . 984 272 272 SER CB C 61.338 . . 985 272 272 SER N N 125.906 . . 986 273 273 ASN H H 8.787 . . 987 273 273 ASN CA C 55.319 . . 988 273 273 ASN CB C 36.617 . . 989 273 273 ASN N N 121.939 . . 990 274 274 SER H H 8.274 . . 991 274 274 SER CA C 61.043 . . 992 274 274 SER CB C 63.789 . . 993 274 274 SER N N 116.231 . . 994 275 275 ILE H H 7.001 . . 995 275 275 ILE HD1 H 0.660 . . 996 275 275 ILE CA C 59.230 . . 997 275 275 ILE CB C 37.832 . . 998 275 275 ILE CD1 C 14.171 . . 999 275 275 ILE N N 111.433 . . 1000 276 276 VAL H H 6.644 . . 1001 276 276 VAL HG1 H 0.698 . . 1002 276 276 VAL CA C 61.753 . . 1003 276 276 VAL CB C 31.414 . . 1004 276 276 VAL CG1 C 20.852 . . 1005 276 276 VAL N N 120.271 . . 1006 277 277 PRO CA C 63.750 . . 1007 277 277 PRO CB C 32.142 . . 1008 278 278 PHE H H 8.489 . . 1009 278 278 PHE CA C 57.644 . . 1010 278 278 PHE CB C 36.937 . . 1011 278 278 PHE N N 127.462 . . 1012 279 279 THR H H 7.782 . . 1013 279 279 THR CA C 59.584 . . 1014 279 279 THR CB C 70.940 . . 1015 279 279 THR N N 111.362 . . 1016 280 280 SER H H 8.131 . . 1017 280 280 SER CA C 56.346 . . 1018 280 280 SER CB C 66.015 . . 1019 280 280 SER N N 109.774 . . 1020 281 281 ILE H H 9.689 . . 1021 281 281 ILE HD1 H 0.765 . . 1022 281 281 ILE CA C 60.738 . . 1023 281 281 ILE CB C 38.257 . . 1024 281 281 ILE CD1 C 13.814 . . 1025 281 281 ILE N N 127.301 . . 1026 282 282 ALA H H 8.232 . . 1027 282 282 ALA CA C 55.157 . . 1028 282 282 ALA CB C 16.566 . . 1029 282 282 ALA N N 127.636 . . 1030 283 283 ASP H H 7.304 . . 1031 283 283 ASP CA C 55.690 . . 1032 283 283 ASP CB C 40.076 . . 1033 283 283 ASP N N 116.527 . . 1034 284 284 HIS H H 8.227 . . 1035 284 284 HIS CA C 57.130 . . 1036 284 284 HIS CB C 31.191 . . 1037 284 284 HIS N N 121.565 . . 1038 285 285 LEU H H 7.007 . . 1039 285 285 LEU HD1 H 1.093 . . 1040 285 285 LEU HD2 H 0.874 . . 1041 285 285 LEU CA C 55.239 . . 1042 285 285 LEU CB C 41.192 . . 1043 285 285 LEU CD1 C 25.165 . . 1044 285 285 LEU CD2 C 22.979 . . 1045 285 285 LEU N N 110.824 . . 1046 286 286 THR H H 6.715 . . 1047 286 286 THR CA C 60.574 . . 1048 286 286 THR CB C 69.575 . . 1049 286 286 THR N N 112.615 . . 1050 287 287 TYR H H 8.432 . . 1051 287 287 TYR CA C 57.749 . . 1052 287 287 TYR CB C 42.073 . . 1053 287 287 TYR N N 124.705 . . 1054 288 288 PHE H H 7.322 . . 1055 288 288 PHE CA C 58.562 . . 1056 288 288 PHE CB C 35.810 . . 1057 288 288 PHE N N 119.570 . . 1058 289 289 GLY H H 7.963 . . 1059 289 289 GLY CA C 44.971 . . 1060 289 289 GLY N N 103.189 . . 1061 290 290 ILE H H 7.826 . . 1062 290 290 ILE HD1 H 0.717 . . 1063 290 290 ILE CA C 60.390 . . 1064 290 290 ILE CB C 38.278 . . 1065 290 290 ILE CD1 C 14.251 . . 1066 290 290 ILE N N 124.733 . . 1067 291 291 ASN H H 9.109 . . 1068 291 291 ASN CA C 55.207 . . 1069 291 291 ASN CB C 40.435 . . 1070 291 291 ASN N N 125.947 . . 1071 292 292 GLU H H 8.808 . . 1072 292 292 GLU CA C 52.963 . . 1073 292 292 GLU CB C 23.883 . . 1074 292 292 GLU N N 131.338 . . 1075 293 293 GLY H H 7.273 . . 1076 293 293 GLY CA C 43.932 . . 1077 293 293 GLY N N 109.943 . . 1078 294 294 SER H H 8.009 . . 1079 294 294 SER CA C 56.839 . . 1080 294 294 SER CB C 64.513 . . 1081 294 294 SER N N 114.101 . . 1082 295 295 CYS H H 8.881 . . 1083 295 295 CYS CA C 56.812 . . 1084 295 295 CYS CB C 45.334 . . 1085 295 295 CYS N N 121.984 . . 1086 296 296 LEU H H 7.256 . . 1087 296 296 LEU HD1 H 0.794 . . 1088 296 296 LEU HD2 H 0.811 . . 1089 296 296 LEU CA C 55.265 . . 1090 296 296 LEU CB C 42.554 . . 1091 296 296 LEU CD1 C 22.328 . . 1092 296 296 LEU CD2 C 25.194 . . 1093 296 296 LEU N N 124.698 . . stop_ save_