data_50075 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Membrane-bound human PD-L1 cytoplasmic domain ; _BMRB_accession_number 50075 _BMRB_flat_file_name bmr50075.str _Entry_type original _Submission_date 2019-10-17 _Accession_date 2019-10-17 _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 Wen Maorong . . 2 Wu Bin . . 3 Cao Yunlei . . 4 Ouyang Bo . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 197 "13C chemical shifts" 134 "15N chemical shifts" 37 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-04-23 original BMRB . stop_ _Original_release_date 2019-10-17 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Membrane-bound human PD-L1 cytoplasmic domain ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wen Maorong . . 2 Wu Bin . . 3 Cao Yunlei . . 4 Ouyang Bo . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name entity _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 33 _Mol_residue_sequence ; GPRLRKGRMMDVKKCGIQDT NSKKQSDTHLEET ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 258 GLY 2 259 PRO 3 260 ARG 4 261 LEU 5 262 ARG 6 263 LYS 7 264 GLY 8 265 ARG 9 266 MET 10 267 MET 11 268 ASP 12 269 VAL 13 270 LYS 14 271 LYS 15 272 CYS 16 273 GLY 17 274 ILE 18 275 GLN 19 276 ASP 20 277 THR 21 278 ASN 22 279 SER 23 280 LYS 24 281 LYS 25 282 GLN 26 283 SER 27 284 ASP 28 285 THR 29 286 HIS 30 287 LEU 31 288 GLU 32 289 GLU 33 290 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source_1 _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 CD274 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli . plasmid pET28-a-SUMO 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 $entity_1 0.5 mM '[U-13C; U-15N; U-2H]' DMPG 60 mM 'natural abundance' DHPC 85 mM 'natural abundance' MES 25 mM 'natural abundance' D2O 10 % [U-2H] H2O 90 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM '[U-99% 13C; U-99% 15N]' DMPG 60 mM [U-2H] DHPC 85 mM [U-2H] MES 25 mM 'natural abundance' D2O 10 % [U-2H] H2O 90 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM '[U-15N; U-2H]' DMPG 60 mM 'natural abundance' DHPC 85 mM [U-2H] MES 25 mM 'natural abundance' D2O 10 % [U-2H] H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name TOPSPIN _Version 3.5.5 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 8.9 loop_ _Vendor _Address _Electronic_address 'Delaglio, Zhengrong and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name X-PLOR _Version 2.44 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'refinement, structure solution' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'Bruker Avance 600 MHz' save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model DD2 _Field_strength 800 _Details 'Agilent 800 MHz' 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_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _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_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_(NOE_to_lipid)_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY (NOE to lipid)' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_CCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_2 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' 25 . mM pH 6.5 . pH pressure 1 . atm temperature 300 . 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 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 DSS P 31 'methyl protons' ppm 0.00 na indirect . . . 0.404808636 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D HN(CA)CO' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity _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 1 260 3 ARG H H 8.475 0.000 . 2 260 3 ARG HA H 4.294 0.000 . 3 260 3 ARG HB2 H 1.803 0.000 . 4 260 3 ARG HB3 H 1.712 0.000 . 5 260 3 ARG HG2 H 1.575 0.000 . 6 260 3 ARG HG3 H 1.575 0.000 . 7 260 3 ARG HD2 H 3.138 0.000 . 8 260 3 ARG HD3 H 3.138 0.000 . 9 260 3 ARG HE H 7.332 0.000 . 10 260 3 ARG C C 176.044 0.000 . 11 260 3 ARG CA C 56.069 0.000 . 12 260 3 ARG CB C 30.940 0.000 . 13 260 3 ARG CG C 27.300 0.000 . 14 260 3 ARG CD C 43.470 0.000 . 15 260 3 ARG N N 121.423 0.000 . 16 260 3 ARG NE N 85.440 0.000 . 17 261 4 LEU H H 8.298 0.000 . 18 261 4 LEU HA H 4.275 0.000 . 19 261 4 LEU HB2 H 1.602 0.000 . 20 261 4 LEU HB3 H 1.517 0.000 . 21 261 4 LEU HG H 1.589 0.000 . 22 261 4 LEU HD1 H 0.856 0.000 . 23 261 4 LEU HD2 H 0.801 0.000 . 24 261 4 LEU C C 176.802 0.000 . 25 261 4 LEU CA C 55.599 0.000 . 26 261 4 LEU CB C 42.440 0.000 . 27 261 4 LEU CG C 27.110 0.000 . 28 261 4 LEU CD1 C 25.340 0.000 . 29 261 4 LEU CD2 C 24.020 0.000 . 30 261 4 LEU N N 122.798 0.000 . 31 262 5 ARG H H 8.130 0.000 . 32 262 5 ARG HA H 4.284 0.000 . 33 262 5 ARG HB2 H 1.816 0.000 . 34 262 5 ARG HB3 H 1.712 0.000 . 35 262 5 ARG HG2 H 1.583 0.000 . 36 262 5 ARG HG3 H 1.530 0.000 . 37 262 5 ARG HD2 H 3.138 0.000 . 38 262 5 ARG HD3 H 3.138 0.000 . 39 262 5 ARG HE H 7.401 0.000 . 40 262 5 ARG C C 176.220 0.000 . 41 262 5 ARG CA C 55.889 0.000 . 42 262 5 ARG CB C 30.940 0.000 . 43 262 5 ARG CG C 27.300 0.000 . 44 262 5 ARG CD C 43.470 0.000 . 45 262 5 ARG N N 120.777 0.000 . 46 262 5 ARG NE N 85.440 0.000 . 47 263 6 LYS H H 8.336 0.000 . 48 263 6 LYS HA H 4.176 0.000 . 49 263 6 LYS HB2 H 1.781 0.000 . 50 263 6 LYS HB3 H 1.717 0.000 . 51 263 6 LYS HG2 H 1.407 0.000 . 52 263 6 LYS HG3 H 1.354 0.000 . 53 263 6 LYS HD2 H 1.629 0.000 . 54 263 6 LYS HD3 H 1.629 0.000 . 55 263 6 LYS HE2 H 2.928 0.000 . 56 263 6 LYS HE3 H 2.928 0.000 . 57 263 6 LYS C C 177.248 0.000 . 58 263 6 LYS CA C 56.779 0.000 . 59 263 6 LYS CB C 33.000 0.000 . 60 263 6 LYS CG C 24.970 0.000 . 61 263 6 LYS CD C 29.220 0.000 . 62 263 6 LYS CE C 42.160 0.000 . 63 263 6 LYS N N 122.393 0.000 . 64 264 7 GLY H H 8.383 0.000 . 65 264 7 GLY HA2 H 3.875 0.000 . 66 264 7 GLY HA3 H 3.875 0.000 . 67 264 7 GLY C C 174.190 0.000 . 68 264 7 GLY CA C 45.690 0.000 . 69 264 7 GLY N N 109.667 0.000 . 70 265 8 ARG H H 8.130 0.000 . 71 265 8 ARG HA H 4.289 0.000 . 72 265 8 ARG HB2 H 1.816 0.000 . 73 265 8 ARG HB3 H 1.712 0.000 . 74 265 8 ARG HG2 H 1.575 0.000 . 75 265 8 ARG HG3 H 1.575 0.000 . 76 265 8 ARG HD2 H 3.138 0.000 . 77 265 8 ARG HD3 H 3.138 0.000 . 78 265 8 ARG HE H 7.330 0.000 . 79 265 8 ARG C C 176.678 0.000 . 80 265 8 ARG CA C 56.259 0.000 . 81 265 8 ARG CB C 30.940 0.000 . 82 265 8 ARG CG C 27.300 0.000 . 83 265 8 ARG CD C 43.470 0.000 . 84 265 8 ARG N N 120.777 0.000 . 85 265 8 ARG NE N 85.440 0.000 . 86 266 9 MET H H 8.404 0.000 . 87 266 9 MET HA H 4.316 0.000 . 88 266 9 MET HB2 H 2.009 0.000 . 89 266 9 MET HB3 H 2.009 0.000 . 90 266 9 MET HG2 H 2.554 0.000 . 91 266 9 MET HG3 H 2.472 0.000 . 92 266 9 MET HE H 2.011 0.000 . 93 266 9 MET C C 176.309 0.000 . 94 266 9 MET CA C 56.329 0.000 . 95 266 9 MET CB C 32.720 0.000 . 96 266 9 MET CG C 32.350 0.000 . 97 266 9 MET CE C 17.131 0.000 . 98 266 9 MET N N 120.703 0.000 . 99 267 10 MET H H 8.085 0.000 . 100 267 10 MET HA H 4.343 0.000 . 101 267 10 MET HB2 H 2.012 0.000 . 102 267 10 MET HB3 H 1.944 0.000 . 103 267 10 MET HG2 H 2.507 0.000 . 104 267 10 MET HG3 H 2.435 0.000 . 105 267 10 MET HE H 2.011 0.000 . 106 267 10 MET C C 175.751 0.000 . 107 267 10 MET CA C 55.739 0.000 . 108 267 10 MET CB C 32.980 0.000 . 109 267 10 MET CG C 32.140 0.000 . 110 267 10 MET CE C 17.131 0.000 . 111 267 10 MET N N 119.578 0.000 . 112 268 11 ASP H H 8.142 0.000 . 113 268 11 ASP HA H 4.562 0.000 . 114 268 11 ASP HB2 H 2.711 0.000 . 115 268 11 ASP HB3 H 2.576 0.000 . 116 268 11 ASP C C 176.397 0.000 . 117 268 11 ASP CA C 54.259 0.000 . 118 268 11 ASP CB C 40.720 0.000 . 119 268 11 ASP N N 121.219 0.000 . 120 269 12 VAL H H 7.931 0.000 . 121 269 12 VAL HA H 3.981 0.000 . 122 269 12 VAL HB H 2.091 0.000 . 123 269 12 VAL HG1 H 0.882 0.000 . 124 269 12 VAL HG2 H 0.900 0.000 . 125 269 12 VAL C C 176.485 0.000 . 126 269 12 VAL CA C 63.199 0.000 . 127 269 12 VAL CB C 32.310 0.000 . 128 269 12 VAL CG1 C 21.351 0.000 . 129 269 12 VAL CG2 C 20.721 0.000 . 130 269 12 VAL N N 120.424 0.000 . 131 270 13 LYS H H 8.144 0.000 . 132 270 13 LYS HA H 4.188 0.000 . 133 270 13 LYS HB2 H 1.787 0.000 . 134 270 13 LYS HB3 H 1.728 0.000 . 135 270 13 LYS HG2 H 1.409 0.000 . 136 270 13 LYS HG3 H 1.341 0.000 . 137 270 13 LYS HD2 H 1.624 0.000 . 138 270 13 LYS HD3 H 1.624 0.000 . 139 270 13 LYS HE2 H 2.930 0.000 . 140 270 13 LYS HE3 H 2.930 0.000 . 141 270 13 LYS C C 176.978 0.000 . 142 270 13 LYS CA C 56.869 0.000 . 143 270 13 LYS CB C 32.649 0.000 . 144 270 13 LYS CG C 25.070 0.000 . 145 270 13 LYS CD C 29.220 0.000 . 146 270 13 LYS CE C 42.090 0.000 . 147 270 13 LYS N N 123.120 0.000 . 148 271 14 LYS H H 8.049 0.000 . 149 271 14 LYS HA H 4.188 0.000 . 150 271 14 LYS HB2 H 1.816 0.000 . 151 271 14 LYS HB3 H 1.728 0.000 . 152 271 14 LYS HG2 H 1.409 0.000 . 153 271 14 LYS HG3 H 1.341 0.000 . 154 271 14 LYS HD2 H 1.626 0.000 . 155 271 14 LYS HD3 H 1.626 0.000 . 156 271 14 LYS HE2 H 2.922 0.000 . 157 271 14 LYS HE3 H 2.922 0.000 . 158 271 14 LYS C C 176.684 0.000 . 159 271 14 LYS CA C 56.869 0.000 . 160 271 14 LYS CB C 32.810 0.000 . 161 271 14 LYS CG C 25.070 0.000 . 162 271 14 LYS CD C 29.030 0.000 . 163 271 14 LYS CE C 42.160 0.000 . 164 271 14 LYS N N 121.372 0.000 . 165 272 15 CYS H H 8.125 0.000 . 166 272 15 CYS HA H 4.412 0.000 . 167 272 15 CYS HB2 H 2.887 0.000 . 168 272 15 CYS HB3 H 2.887 0.000 . 169 272 15 CYS C C 174.935 0.000 . 170 272 15 CYS CA C 58.929 0.000 . 171 272 15 CYS CB C 28.240 0.000 . 172 272 15 CYS N N 119.213 0.000 . 173 273 16 GLY H H 8.311 0.000 . 174 273 16 GLY HA2 H 3.931 0.000 . 175 273 16 GLY HA3 H 3.883 0.000 . 176 273 16 GLY C C 174.031 0.000 . 177 273 16 GLY CA C 45.460 0.000 . 178 273 16 GLY N N 110.970 0.000 . 179 274 17 ILE H H 7.884 0.000 . 180 274 17 ILE HA H 4.077 0.000 . 181 274 17 ILE HB H 1.792 0.000 . 182 274 17 ILE HG12 H 1.391 0.000 . 183 274 17 ILE HG13 H 1.107 0.000 . 184 274 17 ILE HG2 H 0.833 0.000 . 185 274 17 ILE HD1 H 0.791 0.000 . 186 274 17 ILE C C 176.367 0.000 . 187 274 17 ILE CA C 61.419 0.000 . 188 274 17 ILE CB C 38.570 0.000 . 189 274 17 ILE CG1 C 27.420 0.000 . 190 274 17 ILE CG2 C 17.631 0.000 . 191 274 17 ILE CD1 C 13.141 0.000 . 192 274 17 ILE N N 120.387 0.000 . 193 275 18 GLN H H 8.379 0.000 . 194 275 18 GLN HA H 4.259 0.000 . 195 275 18 GLN HB2 H 2.022 0.000 . 196 275 18 GLN HB3 H 1.903 0.000 . 197 275 18 GLN HG2 H 2.270 0.000 . 198 275 18 GLN HG3 H 2.270 0.000 . 199 275 18 GLN HE21 H 7.405 0.000 . 200 275 18 GLN HE22 H 6.753 0.000 . 201 275 18 GLN C C 175.622 0.000 . 202 275 18 GLN CA C 56.159 0.000 . 203 275 18 GLN CB C 29.700 0.000 . 204 275 18 GLN CG C 34.980 0.000 . 205 275 18 GLN N N 124.337 0.000 . 206 275 18 GLN NE2 N 112.939 0.005 . 207 276 19 ASP H H 8.293 0.000 . 208 276 19 ASP HA H 4.616 0.000 . 209 276 19 ASP HB2 H 2.688 0.000 . 210 276 19 ASP HB3 H 2.609 0.000 . 211 276 19 ASP C C 176.755 0.000 . 212 276 19 ASP CA C 54.099 0.000 . 213 276 19 ASP CB C 41.140 0.000 . 214 276 19 ASP N N 122.226 0.000 . 215 277 20 THR H H 8.104 0.000 . 216 277 20 THR HA H 4.179 0.000 . 217 277 20 THR HB H 4.222 0.000 . 218 277 20 THR HG2 H 1.134 0.000 . 219 277 20 THR C C 175.000 0.000 . 220 277 20 THR CA C 62.569 0.000 . 221 277 20 THR CB C 69.339 0.000 . 222 277 20 THR CG2 C 21.771 0.000 . 223 277 20 THR N N 115.358 0.000 . 224 278 21 ASN H H 8.390 0.000 . 225 278 21 ASN HA H 4.645 0.000 . 226 278 21 ASN HB2 H 2.787 0.000 . 227 278 21 ASN HB3 H 2.733 0.000 . 228 278 21 ASN HD21 H 7.603 0.000 . 229 278 21 ASN HD22 H 6.842 0.000 . 230 278 21 ASN C C 175.639 0.000 . 231 278 21 ASN CA C 53.629 0.000 . 232 278 21 ASN CB C 38.810 0.000 . 233 278 21 ASN N N 121.223 0.000 . 234 278 21 ASN ND2 N 113.699 0.000 . 235 279 22 SER H H 8.081 0.000 . 236 279 22 SER HA H 4.301 0.000 . 237 279 22 SER HB2 H 3.829 0.000 . 238 279 22 SER HB3 H 3.800 0.000 . 239 279 22 SER C C 174.753 0.000 . 240 279 22 SER CA C 58.969 0.000 . 241 279 22 SER CB C 63.529 0.000 . 242 279 22 SER N N 116.654 0.000 . 243 280 23 LYS H H 8.110 0.000 . 244 280 23 LYS HA H 4.189 0.000 . 245 280 23 LYS HB2 H 1.784 0.000 . 246 280 23 LYS HB3 H 1.723 0.000 . 247 280 23 LYS HG2 H 1.412 0.000 . 248 280 23 LYS HG3 H 1.351 0.000 . 249 280 23 LYS HD2 H 1.622 0.000 . 250 280 23 LYS HD3 H 1.622 0.000 . 251 280 23 LYS HE2 H 2.924 0.000 . 252 280 23 LYS HE3 H 2.924 0.000 . 253 280 23 LYS C C 176.661 0.000 . 254 280 23 LYS CA C 57.059 0.000 . 255 280 23 LYS CB C 33.000 0.000 . 256 280 23 LYS CG C 25.440 0.000 . 257 280 23 LYS CD C 28.940 0.000 . 258 280 23 LYS CE C 41.880 0.000 . 259 280 23 LYS N N 123.366 0.000 . 260 281 24 LYS H H 8.100 0.000 . 261 281 24 LYS HA H 4.231 0.000 . 262 281 24 LYS HB2 H 1.690 0.000 . 263 281 24 LYS HB3 H 1.816 0.000 . 264 281 24 LYS HG2 H 1.411 0.000 . 265 281 24 LYS HG3 H 1.345 0.000 . 266 281 24 LYS HD2 H 1.613 0.000 . 267 281 24 LYS HD3 H 1.613 0.000 . 268 281 24 LYS HE2 H 2.925 0.000 . 269 281 24 LYS HE3 H 2.925 0.000 . 270 281 24 LYS C C 176.749 0.000 . 271 281 24 LYS CA C 56.499 0.000 . 272 281 24 LYS CB C 33.000 0.000 . 273 281 24 LYS CG C 25.440 0.000 . 274 281 24 LYS CD C 28.940 0.000 . 275 281 24 LYS CE C 41.880 0.000 . 276 281 24 LYS N N 122.402 0.000 . 277 282 25 GLN H H 8.298 0.000 . 278 282 25 GLN HA H 4.281 0.000 . 279 282 25 GLN HB2 H 2.038 0.000 . 280 282 25 GLN HB3 H 1.921 0.000 . 281 282 25 GLN HG2 H 2.299 0.000 . 282 282 25 GLN HG3 H 2.299 0.000 . 283 282 25 GLN HE21 H 7.458 0.000 . 284 282 25 GLN HE22 H 6.755 0.000 . 285 282 25 GLN C C 176.109 0.000 . 286 282 25 GLN CA C 55.869 0.000 . 287 282 25 GLN CB C 29.630 0.000 . 288 282 25 GLN CG C 33.860 0.000 . 289 282 25 GLN N N 122.582 0.000 . 290 282 25 GLN NE2 N 112.964 0.000 . 291 283 26 SER H H 8.259 0.000 . 292 283 26 SER HA H 4.365 0.000 . 293 283 26 SER HB2 H 3.819 0.000 . 294 283 26 SER HB3 H 3.767 0.000 . 295 283 26 SER C C 174.278 0.000 . 296 283 26 SER CA C 58.389 0.000 . 297 283 26 SER CB C 63.829 0.000 . 298 283 26 SER N N 117.486 0.000 . 299 284 27 ASP H H 8.306 0.000 . 300 284 27 ASP HA H 4.613 0.000 . 301 284 27 ASP HB2 H 2.682 0.000 . 302 284 27 ASP HB3 H 2.555 0.000 . 303 284 27 ASP C C 176.373 0.000 . 304 284 27 ASP CA C 54.209 0.000 . 305 284 27 ASP CB C 40.770 0.000 . 306 284 27 ASP N N 123.133 0.000 . 307 285 28 THR H H 7.974 0.000 . 308 285 28 THR HA H 4.185 0.000 . 309 285 28 THR HB H 4.106 0.000 . 310 285 28 THR HG2 H 1.088 0.000 . 311 285 28 THR C C 174.495 0.000 . 312 285 28 THR CA C 62.099 0.000 . 313 285 28 THR CB C 69.689 0.000 . 314 285 28 THR CG2 C 21.681 0.000 . 315 285 28 THR N N 114.897 0.000 . 316 286 29 HIS H H 8.436 0.000 . 317 286 29 HIS HA H 4.614 0.000 . 318 286 29 HIS HB2 H 3.218 0.000 . 319 286 29 HIS HB3 H 3.122 0.000 . 320 286 29 HIS C C 174.160 0.000 . 321 286 29 HIS CA C 55.379 0.000 . 322 286 29 HIS CB C 28.700 0.000 . 323 286 29 HIS N N 121.655 0.000 . 324 287 30 LEU H H 8.181 0.000 . 325 287 30 LEU HA H 4.259 0.000 . 326 287 30 LEU HB2 H 1.543 0.000 . 327 287 30 LEU HB3 H 1.484 0.000 . 328 287 30 LEU HG H 1.469 0.000 . 329 287 30 LEU HD1 H 0.840 0.000 . 330 287 30 LEU HD2 H 0.775 0.000 . 331 287 30 LEU C C 177.124 0.000 . 332 287 30 LEU CA C 55.239 0.000 . 333 287 30 LEU CB C 42.420 0.000 . 334 287 30 LEU CG C 26.960 0.000 . 335 287 30 LEU CD1 C 24.850 0.000 . 336 287 30 LEU CD2 C 23.760 0.000 . 337 287 30 LEU N N 124.177 0.000 . 338 288 31 GLU H H 8.353 0.000 . 339 288 31 GLU HA H 4.247 0.000 . 340 288 31 GLU HB2 H 2.004 0.000 . 341 288 31 GLU HB3 H 1.867 0.000 . 342 288 31 GLU HG2 H 2.220 0.000 . 343 288 31 GLU HG3 H 2.220 0.000 . 344 288 31 GLU C C 176.156 0.000 . 345 288 31 GLU CA C 56.609 0.000 . 346 288 31 GLU CB C 30.050 0.000 . 347 288 31 GLU CG C 35.710 0.000 . 348 288 31 GLU N N 122.165 0.000 . 349 289 32 GLU H H 8.294 0.000 . 350 289 32 GLU HA H 4.326 0.000 . 351 289 32 GLU HB2 H 2.041 0.000 . 352 289 32 GLU HB3 H 1.880 0.000 . 353 289 32 GLU HG2 H 2.250 0.000 . 354 289 32 GLU HG3 H 2.250 0.000 . 355 289 32 GLU C C 175.774 0.000 . 356 289 32 GLU CA C 56.709 0.000 . 357 289 32 GLU CB C 30.050 0.000 . 358 289 32 GLU CG C 36.320 0.000 . 359 289 32 GLU N N 122.899 0.000 . 360 290 33 THR H H 7.731 0.000 . 361 290 33 THR HA H 4.090 0.000 . 362 290 33 THR HB H 4.156 0.000 . 363 290 33 THR HG2 H 1.089 0.000 . 364 290 33 THR C C 179.132 0.000 . 365 290 33 THR CA C 63.149 0.000 . 366 290 33 THR CB C 70.869 0.000 . 367 290 33 THR CG2 C 22.131 0.000 . 368 290 33 THR N N 120.642 0.000 . stop_ save_