data_27854 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Human DC-SIGN Carbohydrate Recognition Domain ; _BMRB_accession_number 27854 _BMRB_flat_file_name bmr27854.str _Entry_type original _Submission_date 2019-03-26 _Accession_date 2019-03-26 _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 Valverde Pablo . . 2 Delgado Sandra . . 3 Martinez J.Daniel . . 4 Jimenez-Barbero Jesus . . 5 Arda Ana . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 232 "13C chemical shifts" 334 "15N chemical shifts" 232 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-01-10 update BMRB 'update entry citation' 2019-07-18 original author 'original release' stop_ _Original_release_date 2019-03-26 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Molecular Insights into DC-SIGN Binding to Self-Antigens: The Interaction with the Blood Group A/B Antigens ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31283166 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Valverde Pablo . . 2 Delgado Sandra . . 3 Martinez J.Daniel . . 4 Vendeville Jean-Baptiste . . 5 Malassis Julien . . 6 Linclau Bruno . . 7 Reichardt Niels-Christian . . 8 Canada F.Javier . . 9 Jimenez-Barbero Jesus . . 10 Arda Ana . . stop_ _Journal_abbreviation 'ACS Chem Biol.' _Journal_volume 14 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1660 _Page_last 1671 _Year 2019 _Details . loop_ _Keyword 'A and B histo blood groups' DC-SIGN 'Molecular recognition' NMR 'alpha-Gal epitope' self-antigens stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'DC-SIGN Carbohydrate Recognition Domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'DC-SIGN CRD' $DC-SIGN_CRD 'Calcium ion' $entity_CA stop_ _System_molecular_weight 20097 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'C-type lectin' 'Calcium-dependent receptor' 'Pathogen recognition receptor (PRR)' stop_ _Database_query_date . _Details ; Globular domain responsible for glycan recognition, that belongs to the extracelular domain (ECD) of the membrane protein DC-SIGN. ; save_ ######################## # Monomeric polymers # ######################## save_DC-SIGN_CRD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common DC-SIGN_CRD _Molecular_mass 20097 _Mol_thiol_state 'free and disulfide bound' loop_ _Biological_function 'C-type lectin' 'Calcium-dependent receptor' 'Pathogen recognition receptor (PRR)' stop_ _Details 'Formula mass (only CRD, no His-tag): 17230' ############################## # Polymer residue sequence # ############################## _Residue_count 177 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MAERLCHPCPWEWTFFQGNC YFMSNSQRNWHDSITACKEV GAQLVVIKSAEEQNFLQLQS SRSNRFTWMGLSDLNQEGTW QWVDGSPLLPSFKQYWNRGE PNNVGEEDCAEFSGNGWNDD KCNLAKFWICKKSAASCSRD EEQFLSPAPATPNPPPA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 228 MET 2 229 GLY 3 230 SER 4 231 SER 5 232 HIS 6 233 HIS 7 234 HIS 8 235 HIS 9 236 HIS 10 237 HIS 11 238 SER 12 239 SER 13 240 GLY 14 241 LEU 15 242 VAL 16 243 PRO 17 244 ARG 18 245 GLY 19 246 SER 20 247 HIS 21 248 MET 22 249 ALA 23 250 GLU 24 251 ARG 25 252 LEU 26 253 CYS 27 254 HIS 28 255 PRO 29 256 CYS 30 257 PRO 31 258 TRP 32 259 GLU 33 260 TRP 34 261 THR 35 262 PHE 36 263 PHE 37 264 GLN 38 265 GLY 39 266 ASN 40 267 CYS 41 268 TYR 42 269 PHE 43 270 MET 44 271 SER 45 272 ASN 46 273 SER 47 274 GLN 48 275 ARG 49 276 ASN 50 277 TRP 51 278 HIS 52 279 ASP 53 280 SER 54 281 ILE 55 282 THR 56 283 ALA 57 284 CYS 58 285 LYS 59 286 GLU 60 287 VAL 61 288 GLY 62 289 ALA 63 290 GLN 64 291 LEU 65 292 VAL 66 293 VAL 67 294 ILE 68 295 LYS 69 296 SER 70 297 ALA 71 298 GLU 72 299 GLU 73 300 GLN 74 301 ASN 75 302 PHE 76 303 LEU 77 304 GLN 78 305 LEU 79 306 GLN 80 307 SER 81 308 SER 82 309 ARG 83 310 SER 84 311 ASN 85 312 ARG 86 313 PHE 87 314 THR 88 315 TRP 89 316 MET 90 317 GLY 91 318 LEU 92 319 SER 93 320 ASP 94 321 LEU 95 322 ASN 96 323 GLN 97 324 GLU 98 325 GLY 99 326 THR 100 327 TRP 101 328 GLN 102 329 TRP 103 330 VAL 104 331 ASP 105 332 GLY 106 333 SER 107 334 PRO 108 335 LEU 109 336 LEU 110 337 PRO 111 338 SER 112 339 PHE 113 340 LYS 114 341 GLN 115 342 TYR 116 343 TRP 117 344 ASN 118 345 ARG 119 346 GLY 120 347 GLU 121 348 PRO 122 349 ASN 123 350 ASN 124 351 VAL 125 352 GLY 126 353 GLU 127 354 GLU 128 355 ASP 129 356 CYS 130 357 ALA 131 358 GLU 132 359 PHE 133 360 SER 134 361 GLY 135 362 ASN 136 363 GLY 137 364 TRP 138 365 ASN 139 366 ASP 140 367 ASP 141 368 LYS 142 369 CYS 143 370 ASN 144 371 LEU 145 372 ALA 146 373 LYS 147 374 PHE 148 375 TRP 149 376 ILE 150 377 CYS 151 378 LYS 152 379 LYS 153 380 SER 154 381 ALA 155 382 ALA 156 383 SER 157 384 CYS 158 385 SER 159 386 ARG 160 387 ASP 161 388 GLU 162 389 GLU 163 390 GLN 164 391 PHE 165 392 LEU 166 393 SER 167 394 PRO 168 395 ALA 169 396 PRO 170 397 ALA 171 398 THR 172 399 PRO 173 400 ASN 174 401 PRO 175 402 PRO 176 403 PRO 177 404 ALA 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 PDB 1SL4 'DC-SIGN CRD' . . . . . PDB 1SL5 'DC-SIGN CRD' . . . . . PDB 2IT5 'DC-SIGN CRD' . . . . . PDB 2IT6 'DC-SIGN CRD' . . . . . stop_ save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_CA (CALCIUM ION)" _BMRB_code CA _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_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 $DC-SIGN_CRD Human 9606 Eukaryota Metazoa Homo sapiens 'CD209 (CLEC4L)' 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 $DC-SIGN_CRD 'recombinant technology' . Escherichia coli . pET15b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_CRD_D-Mannose _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $DC-SIGN_CRD 225 uM '[U-13C; U-15N]' TRIS 25 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' 'calcium chloride' 4 mM 'natural abundance' DTT 2 mM 'natural abundance' D-Mannose 30 mM 'natural abundance' stop_ save_ save_Free_CRD _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $DC-SIGN_CRD 200 uM '[U-13C; U-15N]' TRIS 25 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' 'calcium chloride' 4 mM 'natural abundance' DTT 2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.5 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARANMR _Saveframe_category software _Name CARANMR _Version 1.9.1.0 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' 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 $Free_CRD save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $Free_CRD save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $Free_CRD save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $Free_CRD save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $CRD_D-Mannose save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $CRD_D-Mannose save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $CRD_D-Mannose 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' 0.351 . M pH 8 . pH pressure 1 . atm temperature 310 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio TMS C 13 'methyl protons' ppm 0.00 external direct cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 0.25145020 TMS H 1 'methyl protons' ppm 0.00 external direct cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 1.0 TMS N 15 'methyl protons' ppm 0.00 external direct cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 0.10136767 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' stop_ loop_ _Sample_label $CRD_D-Mannose stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'DC-SIGN CRD' _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 1 254 27 HIS H H 7.674 0.020 1 2 254 27 HIS CA C 59.011 0.3 1 3 254 27 HIS CB C 34.464 0.3 1 4 254 27 HIS N N 118.701 0.3 1 5 260 33 TRP H H 8.568 0.020 1 6 260 33 TRP CA C 57.184 0.3 1 7 260 33 TRP CB C 29.517 0.3 1 8 260 33 TRP N N 120.963 0.3 1 9 261 34 THR H H 9.777 0.020 1 10 261 34 THR CA C 62.871 0.3 1 11 261 34 THR CB C 71.752 0.3 1 12 261 34 THR N N 118.940 0.3 1 13 262 35 PHE H H 9.048 0.020 1 14 262 35 PHE CA C 57.832 0.3 1 15 262 35 PHE CB C 40.505 0.3 1 16 262 35 PHE N N 128.929 0.3 1 17 263 36 PHE H H 8.702 0.020 1 18 263 36 PHE CA C 58.886 0.3 1 19 263 36 PHE CB C 40.888 0.3 1 20 263 36 PHE N N 126.810 0.3 1 21 265 38 GLY H H 5.845 0.020 1 22 265 38 GLY CA C 45.622 0.3 1 23 265 38 GLY N N 101.760 0.3 1 24 266 39 ASN H H 7.586 0.020 1 25 266 39 ASN CA C 52.229 0.3 1 26 266 39 ASN CB C 43.912 0.3 1 27 266 39 ASN N N 118.020 0.3 1 28 267 40 CYS H H 9.318 0.020 1 29 267 40 CYS CA C 53.405 0.3 1 30 267 40 CYS CB C 43.060 0.3 1 31 267 40 CYS N N 116.914 0.3 1 32 268 41 TYR H H 9.976 0.020 1 33 268 41 TYR CA C 56.984 0.3 1 34 268 41 TYR CB C 42.044 0.3 1 35 268 41 TYR N N 121.359 0.3 1 36 269 42 PHE H H 8.551 0.020 1 37 269 42 PHE CA C 55.307 0.3 1 38 269 42 PHE CB C 40.441 0.3 1 39 269 42 PHE N N 124.995 0.3 1 40 270 43 MET H H 7.755 0.020 1 41 270 43 MET CA C 53.927 0.3 1 42 270 43 MET CB C 31.567 0.3 1 43 270 43 MET N N 128.084 0.3 1 44 271 44 SER H H 7.756 0.020 1 45 271 44 SER CA C 59.086 0.3 1 46 271 44 SER CB C 62.241 0.3 1 47 271 44 SER N N 120.538 0.3 1 48 273 46 SER H H 7.288 0.020 1 49 273 46 SER CA C 56.784 0.3 1 50 273 46 SER CB C 71.390 0.3 1 51 273 46 SER N N 113.869 0.3 1 52 274 47 GLN H H 8.245 0.020 1 53 274 47 GLN CA C 54.857 0.3 1 54 274 47 GLN CB C 31.945 0.3 1 55 274 47 GLN N N 116.465 0.3 1 56 275 48 ARG H H 9.676 0.020 1 57 275 48 ARG CA C 55.627 0.3 1 58 275 48 ARG CB C 37.173 0.3 1 59 275 48 ARG N N 123.144 0.3 1 60 276 49 ASN H H 9.528 0.020 1 61 276 49 ASN CA C 52.754 0.3 1 62 276 49 ASN CB C 37.550 0.3 1 63 276 49 ASN N N 120.329 0.3 1 64 277 50 TRP H H 8.032 0.020 1 65 277 50 TRP CA C 64.242 0.3 1 66 277 50 TRP CB C 31.000 0.3 1 67 277 50 TRP N N 121.593 0.3 1 68 278 51 HIS H H 7.362 0.020 1 69 278 51 HIS CA C 60.363 0.3 1 70 278 51 HIS CB C 30.348 0.3 1 71 278 51 HIS N N 114.705 0.3 1 72 279 52 ASP H H 8.960 0.020 1 73 279 52 ASP CA C 56.133 0.3 1 74 279 52 ASP CB C 39.251 0.3 1 75 279 52 ASP N N 119.063 0.3 1 76 280 53 SER H H 8.065 0.020 1 77 280 53 SER CA C 63.216 0.3 1 78 280 53 SER CB C 62.052 0.3 1 79 280 53 SER N N 124.094 0.3 1 80 281 54 ILE H H 7.042 0.020 1 81 281 54 ILE CA C 65.193 0.3 1 82 281 54 ILE CB C 37.110 0.3 1 83 281 54 ILE N N 122.026 0.3 1 84 282 55 THR H H 7.318 0.020 1 85 282 55 THR CA C 66.244 0.3 1 86 282 55 THR CB C 68.288 0.3 1 87 282 55 THR N N 116.166 0.3 1 88 283 56 ALA H H 7.773 0.020 1 89 283 56 ALA CA C 55.032 0.3 1 90 283 56 ALA CB C 17.763 0.3 1 91 283 56 ALA N N 123.668 0.3 1 92 284 57 CYS H H 7.741 0.020 1 93 284 57 CYS CA C 55.107 0.3 1 94 284 57 CYS CB C 36.102 0.3 1 95 284 57 CYS N N 113.249 0.3 1 96 285 58 LYS H H 8.275 0.020 1 97 285 58 LYS CA C 60.187 0.3 1 98 285 58 LYS CB C 32.136 0.3 1 99 285 58 LYS N N 124.366 0.3 1 100 286 59 GLU H H 8.189 0.020 1 101 286 59 GLU CA C 59.086 0.3 1 102 286 59 GLU CB C 30.181 0.3 1 103 286 59 GLU N N 119.058 0.3 1 104 287 60 VAL H H 7.155 0.020 1 105 287 60 VAL CA C 59.812 0.3 1 106 287 60 VAL CB C 30.859 0.3 1 107 287 60 VAL N N 108.856 0.3 1 108 288 61 GLY H H 7.829 0.020 1 109 288 61 GLY CA C 46.873 0.3 1 110 288 61 GLY N N 109.122 0.3 1 111 289 62 ALA H H 8.271 0.020 1 112 289 62 ALA CA C 49.826 0.3 1 113 289 62 ALA CB C 24.471 0.3 1 114 289 62 ALA N N 121.967 0.3 1 115 290 63 GLN H H 8.005 0.020 1 116 290 63 GLN CA C 53.881 0.3 1 117 290 63 GLN CB C 33.670 0.3 1 118 290 63 GLN N N 117.255 0.3 1 119 291 64 LEU H H 8.872 0.020 1 120 291 64 LEU CA C 57.560 0.3 1 121 291 64 LEU CB C 43.219 0.3 1 122 291 64 LEU N N 132.145 0.3 1 123 292 65 VAL H H 7.854 0.020 1 124 292 65 VAL CA C 65.068 0.3 1 125 292 65 VAL CB C 33.478 0.3 1 126 292 65 VAL N N 122.716 0.3 1 127 293 66 VAL H H 6.974 0.020 1 128 293 66 VAL CA C 60.212 0.3 1 129 293 66 VAL CB C 32.328 0.3 1 130 293 66 VAL N N 127.025 0.3 1 131 295 68 LYS H H 9.030 0.020 1 132 295 68 LYS CA C 54.431 0.3 1 133 295 68 LYS CB C 34.308 0.3 1 134 295 68 LYS N N 122.769 0.3 1 135 296 69 SER H H 7.737 0.020 1 136 296 69 SER CA C 57.284 0.3 1 137 296 69 SER CB C 67.406 0.3 1 138 296 69 SER N N 112.526 0.3 1 139 299 72 GLU H H 7.973 0.020 1 140 299 72 GLU CA C 59.437 0.3 1 141 299 72 GLU CB C 30.496 0.3 1 142 299 72 GLU N N 122.716 0.3 1 143 300 73 GLN H H 7.783 0.020 1 144 300 73 GLN CA C 58.386 0.3 1 145 300 73 GLN CB C 25.685 0.3 1 146 300 73 GLN N N 121.559 0.3 1 147 301 74 ASN H H 8.150 0.020 1 148 301 74 ASN CA C 56.433 0.3 1 149 301 74 ASN CB C 38.432 0.3 1 150 301 74 ASN N N 117.007 0.3 1 151 302 75 PHE H H 7.479 0.020 1 152 302 75 PHE CA C 60.288 0.3 1 153 302 75 PHE CB C 39.377 0.3 1 154 302 75 PHE N N 119.603 0.3 1 155 303 76 LEU H H 8.009 0.020 1 156 303 76 LEU CA C 56.884 0.3 1 157 303 76 LEU CB C 42.778 0.3 1 158 303 76 LEU N N 119.892 0.3 1 159 304 77 GLN H H 8.861 0.020 1 160 304 77 GLN CA C 58.761 0.3 1 161 304 77 GLN CB C 29.362 0.3 1 162 304 77 GLN N N 121.904 0.3 1 163 305 78 LEU H H 7.297 0.020 1 164 305 78 LEU CA C 57.359 0.3 1 165 305 78 LEU CB C 41.591 0.3 1 166 305 78 LEU N N 118.037 0.3 1 167 306 79 GLN H H 7.205 0.020 1 168 306 79 GLN CA C 57.860 0.3 1 169 306 79 GLN CB C 27.284 0.3 1 170 306 79 GLN N N 115.923 0.3 1 171 307 80 SER H H 7.372 0.020 1 172 307 80 SER CA C 61.614 0.3 1 173 307 80 SER CB C 63.060 0.3 1 174 307 80 SER N N 113.772 0.3 1 175 308 81 SER H H 8.521 0.020 1 176 308 81 SER CA C 61.013 0.3 1 177 308 81 SER CB C 62.991 0.3 1 178 308 81 SER N N 117.639 0.3 1 179 309 82 ARG H H 8.176 0.020 1 180 309 82 ARG CA C 58.536 0.3 1 181 309 82 ARG CB C 30.284 0.3 1 182 309 82 ARG N N 121.474 0.3 1 183 312 85 ARG H H 7.502 0.020 1 184 312 85 ARG CA C 55.457 0.3 1 185 312 85 ARG CB C 32.386 0.3 1 186 312 85 ARG N N 116.558 0.3 1 187 313 86 PHE H H 8.495 0.020 1 188 313 86 PHE CA C 57.832 0.3 1 189 313 86 PHE CB C 37.173 0.3 1 190 313 86 PHE N N 127.923 0.3 1 191 314 87 THR H H 7.685 0.020 1 192 314 87 THR CA C 61.289 0.3 1 193 314 87 THR CB C 73.264 0.3 1 194 314 87 THR N N 120.572 0.3 1 195 315 88 TRP H H 9.976 0.020 1 196 315 88 TRP CA C 57.960 0.3 1 197 315 88 TRP CB C 34.423 0.3 1 198 315 88 TRP N N 127.192 0.3 1 199 316 89 MET H H 8.512 0.020 1 200 316 89 MET CA C 53.055 0.3 1 201 316 89 MET CB C 38.117 0.3 1 202 316 89 MET N N 113.295 0.3 1 203 317 90 GLY H H 9.673 0.020 1 204 317 90 GLY CA C 48.750 0.3 1 205 317 90 GLY N N 111.165 0.3 1 206 318 91 LEU H H 8.251 0.020 1 207 318 91 LEU CA C 54.882 0.3 1 208 318 91 LEU CB C 46.746 0.3 1 209 318 91 LEU N N 128.245 0.3 1 210 319 92 SER H H 8.467 0.020 1 211 319 92 SER CA C 58.736 0.3 1 212 319 92 SER CB C 68.162 0.3 1 213 319 92 SER N N 120.147 0.3 1 214 320 93 ASP H H 7.791 0.020 1 215 320 93 ASP CA C 51.603 0.3 1 216 320 93 ASP CB C 37.595 0.3 1 217 320 93 ASP N N 123.771 0.3 1 218 321 94 LEU H H 6.688 0.020 1 219 321 94 LEU CA C 57.184 0.3 1 220 321 94 LEU CB C 43.827 0.3 1 221 321 94 LEU N N 119.694 0.3 1 222 323 96 GLN H H 7.641 0.020 1 223 323 96 GLN CA C 55.182 0.3 1 224 323 96 GLN CB C 30.457 0.3 1 225 323 96 GLN N N 120.538 0.3 1 226 324 97 GLU H H 8.007 0.020 1 227 324 97 GLU CA C 56.884 0.3 1 228 324 97 GLU CB C 28.351 0.3 1 229 324 97 GLU N N 128.479 0.3 1 230 325 98 GLY H H 10.563 0.020 1 231 325 98 GLY CA C 45.040 0.3 1 232 325 98 GLY N N 119.798 0.3 1 233 326 99 THR H H 8.530 0.020 1 234 326 99 THR CA C 61.564 0.3 1 235 326 99 THR CB C 69.233 0.3 1 236 326 99 THR N N 121.355 0.3 1 237 327 100 TRP H H 8.723 0.020 1 238 327 100 TRP CA C 57.710 0.3 1 239 327 100 TRP CB C 29.299 0.3 1 240 327 100 TRP N N 128.920 0.3 1 241 328 101 GLN H H 9.050 0.020 1 242 328 101 GLN CA C 54.531 0.3 1 243 328 101 GLN CB C 34.361 0.3 1 244 328 101 GLN N N 123.098 0.3 1 245 329 102 TRP H H 9.430 0.020 1 246 329 102 TRP CA C 56.834 0.3 1 247 329 102 TRP CB C 32.134 0.3 1 248 329 102 TRP N N 128.580 0.3 1 249 330 103 VAL H H 8.877 0.020 1 250 330 103 VAL CA C 64.392 0.3 1 251 330 103 VAL CB C 32.260 0.3 1 252 330 103 VAL N N 115.101 0.3 1 253 331 104 ASP H H 7.387 0.020 1 254 331 104 ASP CA C 53.505 0.3 1 255 331 104 ASP CB C 40.574 0.3 1 256 331 104 ASP N N 117.924 0.3 1 257 332 105 GLY H H 8.554 0.020 1 258 332 105 GLY CA C 44.971 0.3 1 259 332 105 GLY N N 109.164 0.3 1 260 333 106 SER H H 8.281 0.020 1 261 333 106 SER CA C 57.184 0.3 1 262 333 106 SER CB C 63.186 0.3 1 263 333 106 SER N N 119.466 0.3 1 264 335 108 LEU H H 7.816 0.020 1 265 335 108 LEU CA C 55.057 0.3 1 266 335 108 LEU CB C 42.602 0.3 1 267 335 108 LEU N N 120.589 0.3 1 268 336 109 LEU H H 8.698 0.020 1 269 336 109 LEU CA C 53.956 0.3 1 270 336 109 LEU CB C 41.673 0.3 1 271 336 109 LEU N N 132.022 0.3 1 272 339 112 PHE H H 8.304 0.020 1 273 339 112 PHE CA C 57.835 0.3 1 274 339 112 PHE CB C 39.163 0.3 1 275 339 112 PHE N N 120.470 0.3 1 276 340 113 LYS H H 7.475 0.020 1 277 340 113 LYS CA C 59.236 0.3 1 278 340 113 LYS CB C 31.881 0.3 1 279 340 113 LYS N N 118.768 0.3 1 280 341 114 GLN H H 7.266 0.020 1 281 341 114 GLN CA C 56.333 0.3 1 282 341 114 GLN CB C 28.417 0.3 1 283 341 114 GLN N N 113.752 0.3 1 284 342 115 TYR H H 6.673 0.020 1 285 342 115 TYR CA C 58.185 0.3 1 286 342 115 TYR CB C 34.716 0.3 1 287 342 115 TYR N N 118.565 0.3 1 288 343 116 TRP H H 6.463 0.020 1 289 343 116 TRP CA C 57.860 0.3 1 290 343 116 TRP CB C 30.496 0.3 1 291 343 116 TRP N N 117.739 0.3 1 292 344 117 ASN H H 9.898 0.020 1 293 344 117 ASN CA C 52.905 0.3 1 294 344 117 ASN CB C 38.873 0.3 1 295 344 117 ASN N N 123.404 0.3 1 296 347 120 GLU H H 8.200 0.020 1 297 347 120 GLU CA C 52.404 0.3 1 298 347 120 GLU CB C 28.970 0.3 1 299 347 120 GLU N N 118.088 0.3 1 300 349 122 ASN H H 9.391 0.020 1 301 349 122 ASN CA C 52.429 0.3 1 302 349 122 ASN CB C 38.461 0.3 1 303 349 122 ASN N N 125.144 0.3 1 304 350 123 ASN H H 11.468 0.020 1 305 350 123 ASN CA C 54.872 0.3 1 306 350 123 ASN CB C 40.889 0.3 1 307 350 123 ASN N N 127.092 0.3 1 308 351 124 VAL H H 7.335 0.020 1 309 351 124 VAL CA C 65.618 0.3 1 310 351 124 VAL CB C 30.476 0.3 1 311 351 124 VAL N N 121.133 0.3 1 312 352 125 GLY H H 8.409 0.020 1 313 352 125 GLY CA C 47.021 0.3 1 314 352 125 GLY N N 116.807 0.3 1 315 353 126 GLU H H 7.339 0.020 1 316 353 126 GLU CA C 59.344 0.3 1 317 353 126 GLU CB C 26.654 0.3 1 318 353 126 GLU N N 110.094 0.3 1 319 354 127 GLU H H 7.793 0.020 1 320 354 127 GLU CA C 55.658 0.3 1 321 354 127 GLU CB C 30.333 0.3 1 322 354 127 GLU N N 124.859 0.3 1 323 355 128 ASP H H 8.248 0.020 1 324 355 128 ASP CA C 51.359 0.3 1 325 355 128 ASP CB C 41.267 0.3 1 326 355 128 ASP N N 125.251 0.3 1 327 356 129 CYS H H 8.015 0.020 1 328 356 129 CYS CA C 59.036 0.3 1 329 356 129 CYS CB C 49.256 0.3 1 330 356 129 CYS N N 116.727 0.3 1 331 357 130 ALA H H 7.961 0.020 1 332 357 130 ALA CA C 51.578 0.3 1 333 357 130 ALA CB C 21.741 0.3 1 334 357 130 ALA N N 125.625 0.3 1 335 358 131 GLU H H 9.163 0.020 1 336 358 131 GLU CA C 52.629 0.3 1 337 358 131 GLU N N 116.813 0.3 1 338 359 132 PHE H H 9.395 0.020 1 339 359 132 PHE CA C 58.840 0.3 1 340 359 132 PHE CB C 39.938 0.3 1 341 359 132 PHE N N 119.590 0.3 1 342 360 133 SER H H 8.962 0.020 1 343 360 133 SER CA C 56.133 0.3 1 344 360 133 SER CB C 64.005 0.3 1 345 360 133 SER N N 117.230 0.3 1 346 361 134 GLY H H 8.837 0.020 1 347 361 134 GLY CA C 47.123 0.3 1 348 361 134 GLY N N 116.732 0.3 1 349 363 136 GLY H H 7.579 0.020 1 350 363 136 GLY CA C 46.873 0.3 1 351 363 136 GLY N N 113.532 0.3 1 352 364 137 TRP H H 8.501 0.020 1 353 364 137 TRP CA C 52.729 0.3 1 354 364 137 TRP CB C 33.078 0.3 1 355 364 137 TRP N N 122.307 0.3 1 356 365 138 ASN H H 9.174 0.020 1 357 365 138 ASN CA C 51.929 0.3 1 358 365 138 ASN CB C 42.904 0.3 1 359 365 138 ASN N N 117.682 0.3 1 360 366 139 ASP H H 8.933 0.020 1 361 366 139 ASP CA C 52.229 0.3 1 362 366 139 ASP CB C 41.141 0.3 1 363 366 139 ASP N N 123.350 0.3 1 364 367 140 ASP H H 9.797 0.020 1 365 367 140 ASP CA C 51.353 0.3 1 366 367 140 ASP CB C 45.991 0.3 1 367 367 140 ASP N N 125.596 0.3 1 368 368 141 LYS H H 9.935 0.020 1 369 368 141 LYS CA C 58.135 0.3 1 370 368 141 LYS CB C 32.260 0.3 1 371 368 141 LYS N N 120.799 0.3 1 372 369 142 CYS H H 8.417 0.020 1 373 369 142 CYS CA C 58.085 0.3 1 374 369 142 CYS CB C 46.494 0.3 1 375 369 142 CYS N N 120.589 0.3 1 376 370 143 ASN H H 8.293 0.020 1 377 370 143 ASN CA C 54.106 0.3 1 378 370 143 ASN CB C 38.017 0.3 1 379 370 143 ASN N N 112.322 0.3 1 380 371 144 LEU H H 8.072 0.020 1 381 371 144 LEU CA C 55.057 0.3 1 382 371 144 LEU CB C 42.901 0.3 1 383 371 144 LEU N N 123.686 0.3 1 384 372 145 ALA H H 8.132 0.020 1 385 372 145 ALA CA C 51.278 0.3 1 386 372 145 ALA CB C 18.019 0.3 1 387 372 145 ALA N N 122.120 0.3 1 388 373 146 LYS H H 8.521 0.020 1 389 373 146 LYS CA C 55.082 0.3 1 390 373 146 LYS CB C 36.795 0.3 1 391 373 146 LYS N N 123.640 0.3 1 392 374 147 PHE H H 7.270 0.020 1 393 374 147 PHE CA C 59.887 0.3 1 394 374 147 PHE CB C 39.314 0.3 1 395 374 147 PHE N N 117.298 0.3 1 396 375 148 TRP H H 8.875 0.020 1 397 375 148 TRP CA C 58.811 0.3 1 398 375 148 TRP CB C 32.512 0.3 1 399 375 148 TRP N N 117.201 0.3 1 400 376 149 ILE H H 6.565 0.020 1 401 376 149 ILE CA C 59.036 0.3 1 402 376 149 ILE CB C 43.723 0.3 1 403 376 149 ILE N N 116.908 0.3 1 404 377 150 CYS H H 9.034 0.020 1 405 377 150 CYS CA C 51.428 0.3 1 406 377 150 CYS CB C 40.322 0.3 1 407 377 150 CYS N N 121.491 0.3 1 408 378 151 LYS H H 9.289 0.020 1 409 378 151 LYS CA C 54.932 0.3 1 410 378 151 LYS CB C 38.451 0.3 1 411 378 151 LYS N N 123.644 0.3 1 412 379 152 LYS H H 9.099 0.020 1 413 379 152 LYS CA C 55.157 0.3 1 414 379 152 LYS CB C 36.963 0.3 1 415 379 152 LYS N N 125.906 0.3 1 416 381 154 ALA H H 7.990 0.020 1 417 381 154 ALA CA C 53.297 0.3 1 418 381 154 ALA CB C 19.599 0.3 1 419 381 154 ALA N N 125.591 0.3 1 420 388 161 GLU H H 8.243 0.020 1 421 388 161 GLU CA C 57.109 0.3 1 422 388 161 GLU CB C 30.156 0.3 1 423 388 161 GLU N N 120.436 0.3 1 424 389 162 GLU H H 8.223 0.020 1 425 389 162 GLU CA C 57.234 0.3 1 426 389 162 GLU N N 120.997 0.3 1 427 390 163 GLN H H 8.104 0.020 1 428 390 163 GLN CA C 56.108 0.3 1 429 390 163 GLN CB C 30.412 0.3 1 430 390 163 GLN N N 119.653 0.3 1 431 391 164 PHE H H 8.024 0.020 1 432 391 164 PHE CA C 57.660 0.3 1 433 391 164 PHE N N 120.368 0.3 1 434 395 168 ALA H H 8.134 0.020 1 435 395 168 ALA CA C 54.256 0.3 1 436 395 168 ALA CB C 19.808 0.3 1 437 395 168 ALA N N 132.031 0.3 1 438 397 170 ALA H H 8.223 0.020 1 439 397 170 ALA CA C 50.427 0.3 1 440 397 170 ALA CB C 18.530 0.3 1 441 397 170 ALA N N 125.696 0.3 1 442 398 171 THR H H 7.875 0.020 1 443 398 171 THR N N 116.155 0.3 1 444 400 173 ASN H H 7.944 0.020 1 445 400 173 ASN CA C 51.278 0.3 1 446 400 173 ASN CB C 40.511 0.3 1 447 400 173 ASN N N 114.803 0.3 1 448 404 177 ALA H H 7.803 0.020 1 449 404 177 ALA CA C 53.705 0.3 1 450 404 177 ALA CB C 20.607 0.3 1 451 404 177 ALA N N 129.636 0.3 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HN(CO)CA' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $Free_CRD stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'DC-SIGN CRD' _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 1 254 27 HIS H H 7.675 0.020 1 2 254 27 HIS CA C 59.011 0.3 1 3 254 27 HIS N N 118.787 0.3 1 4 260 33 TRP H H 8.570 0.020 1 5 260 33 TRP CA C 57.184 0.3 1 6 260 33 TRP N N 121.035 0.3 1 7 261 34 THR H H 9.775 0.020 1 8 261 34 THR CA C 62.871 0.3 1 9 261 34 THR N N 118.997 0.3 1 10 262 35 PHE H H 9.062 0.020 1 11 262 35 PHE CA C 57.832 0.3 1 12 262 35 PHE N N 128.913 0.3 1 13 263 36 PHE H H 8.703 0.020 1 14 263 36 PHE CA C 58.886 0.3 1 15 263 36 PHE N N 126.855 0.3 1 16 265 38 GLY H H 5.890 0.020 1 17 265 38 GLY CA C 45.622 0.3 1 18 265 38 GLY N N 101.740 0.3 1 19 266 39 ASN H H 7.594 0.020 1 20 266 39 ASN CA C 52.229 0.3 1 21 266 39 ASN N N 118.021 0.3 1 22 267 40 CYS H H 9.334 0.020 1 23 267 40 CYS CA C 53.405 0.3 1 24 267 40 CYS N N 116.952 0.3 1 25 268 41 TYR H H 9.973 0.020 1 26 268 41 TYR CA C 56.984 0.3 1 27 268 41 TYR N N 121.397 0.3 1 28 269 42 PHE H H 8.552 0.020 1 29 269 42 PHE CA C 55.307 0.3 1 30 269 42 PHE N N 125.028 0.3 1 31 270 43 MET H H 7.758 0.020 1 32 270 43 MET CA C 53.927 0.3 1 33 270 43 MET N N 128.095 0.3 1 34 271 44 SER H H 7.773 0.020 1 35 271 44 SER CA C 59.086 0.3 1 36 271 44 SER N N 120.581 0.3 1 37 273 46 SER H H 7.289 0.020 1 38 273 46 SER CA C 56.784 0.3 1 39 273 46 SER N N 114.005 0.3 1 40 274 47 GLN H H 8.247 0.020 1 41 274 47 GLN CA C 54.857 0.3 1 42 274 47 GLN N N 116.520 0.3 1 43 275 48 ARG H H 9.684 0.020 1 44 275 48 ARG CA C 55.627 0.3 1 45 275 48 ARG N N 123.171 0.3 1 46 276 49 ASN H H 9.534 0.020 1 47 276 49 ASN CA C 52.754 0.3 1 48 276 49 ASN N N 120.396 0.3 1 49 277 50 TRP H H 8.041 0.020 1 50 277 50 TRP CA C 64.242 0.3 1 51 277 50 TRP N N 121.584 0.3 1 52 278 51 HIS H H 7.368 0.020 1 53 278 51 HIS CA C 60.363 0.3 1 54 278 51 HIS N N 114.779 0.3 1 55 279 52 ASP H H 8.968 0.020 1 56 279 52 ASP CA C 56.133 0.3 1 57 279 52 ASP N N 119.076 0.3 1 58 280 53 SER H H 8.060 0.020 1 59 280 53 SER CA C 63.216 0.3 1 60 280 53 SER N N 124.112 0.3 1 61 281 54 ILE H H 7.057 0.020 1 62 281 54 ILE CA C 65.193 0.3 1 63 281 54 ILE N N 122.053 0.3 1 64 282 55 THR H H 7.318 0.020 1 65 282 55 THR CA C 66.244 0.3 1 66 282 55 THR N N 116.173 0.3 1 67 283 56 ALA H H 7.772 0.020 1 68 283 56 ALA CA C 55.032 0.3 1 69 283 56 ALA N N 123.691 0.3 1 70 284 57 CYS H H 7.746 0.020 1 71 284 57 CYS CA C 55.107 0.3 1 72 284 57 CYS N N 113.279 0.3 1 73 285 58 LYS H H 8.280 0.020 1 74 285 58 LYS CA C 60.187 0.3 1 75 285 58 LYS N N 124.401 0.3 1 76 286 59 GLU H H 8.197 0.020 1 77 286 59 GLU CA C 59.086 0.3 1 78 286 59 GLU N N 119.091 0.3 1 79 287 60 VAL H H 7.166 0.020 1 80 287 60 VAL CA C 59.812 0.3 1 81 287 60 VAL N N 108.916 0.3 1 82 288 61 GLY H H 7.835 0.020 1 83 288 61 GLY CA C 46.873 0.3 1 84 288 61 GLY N N 109.136 0.3 1 85 289 62 ALA H H 8.274 0.020 1 86 289 62 ALA CA C 49.826 0.3 1 87 289 62 ALA N N 122.007 0.3 1 88 290 63 GLN H H 8.006 0.020 1 89 290 63 GLN CA C 53.881 0.3 1 90 290 63 GLN N N 117.310 0.3 1 91 291 64 LEU H H 8.874 0.020 1 92 291 64 LEU CA C 57.560 0.3 1 93 291 64 LEU N N 132.092 0.3 1 94 292 65 VAL H H 7.854 0.020 1 95 292 65 VAL CA C 65.068 0.3 1 96 292 65 VAL N N 122.748 0.3 1 97 293 66 VAL H H 6.969 0.020 1 98 293 66 VAL CA C 60.212 0.3 1 99 293 66 VAL N N 127.066 0.3 1 100 295 68 LYS H H 9.036 0.020 1 101 295 68 LYS CA C 54.431 0.3 1 102 295 68 LYS N N 122.839 0.3 1 103 296 69 SER H H 7.735 0.020 1 104 296 69 SER CA C 57.284 0.3 1 105 296 69 SER N N 112.562 0.3 1 106 299 72 GLU H H 7.982 0.020 1 107 299 72 GLU CA C 59.437 0.3 1 108 299 72 GLU N N 122.791 0.3 1 109 300 73 GLN H H 7.788 0.020 1 110 300 73 GLN CA C 58.386 0.3 1 111 300 73 GLN N N 121.578 0.3 1 112 301 74 ASN H H 8.158 0.020 1 113 301 74 ASN CA C 56.433 0.3 1 114 301 74 ASN N N 117.095 0.3 1 115 302 75 PHE H H 7.496 0.020 1 116 302 75 PHE CA C 60.288 0.3 1 117 302 75 PHE N N 119.784 0.3 1 118 303 76 LEU H H 8.012 0.020 1 119 303 76 LEU CA C 56.884 0.3 1 120 303 76 LEU N N 119.947 0.3 1 121 304 77 GLN H H 8.866 0.020 1 122 304 77 GLN CA C 58.761 0.3 1 123 304 77 GLN N N 122.056 0.3 1 124 305 78 LEU H H 7.321 0.020 1 125 305 78 LEU CA C 57.359 0.3 1 126 305 78 LEU N N 118.257 0.3 1 127 306 79 GLN H H 7.224 0.020 1 128 306 79 GLN CA C 57.860 0.3 1 129 306 79 GLN N N 115.991 0.3 1 130 307 80 SER H H 7.399 0.020 1 131 307 80 SER CA C 61.614 0.3 1 132 307 80 SER N N 113.880 0.3 1 133 308 81 SER H H 8.514 0.020 1 134 308 81 SER CA C 61.013 0.3 1 135 308 81 SER N N 117.621 0.3 1 136 309 82 ARG H H 8.159 0.020 1 137 309 82 ARG CA C 58.536 0.3 1 138 309 82 ARG N N 121.368 0.3 1 139 312 85 ARG H H 7.511 0.020 1 140 312 85 ARG CA C 55.457 0.3 1 141 312 85 ARG N N 116.623 0.3 1 142 313 86 PHE H H 8.425 0.020 1 143 313 86 PHE CA C 57.832 0.3 1 144 313 86 PHE N N 127.699 0.3 1 145 314 87 THR H H 7.788 0.020 1 146 314 87 THR CA C 61.289 0.3 1 147 314 87 THR N N 120.244 0.3 1 148 315 88 TRP H H 9.981 0.020 1 149 315 88 TRP CA C 57.960 0.3 1 150 315 88 TRP N N 127.132 0.3 1 151 316 89 MET H H 8.471 0.020 1 152 316 89 MET CA C 53.055 0.3 1 153 316 89 MET N N 113.302 0.3 1 154 317 90 GLY H H 9.692 0.020 1 155 317 90 GLY CA C 48.750 0.3 1 156 317 90 GLY N N 111.297 0.3 1 157 318 91 LEU H H 8.274 0.020 1 158 318 91 LEU CA C 54.882 0.3 1 159 318 91 LEU N N 128.303 0.3 1 160 319 92 SER H H 8.470 0.020 1 161 319 92 SER CA C 58.736 0.3 1 162 319 92 SER N N 120.240 0.3 1 163 320 93 ASP H H 7.855 0.020 1 164 320 93 ASP CA C 51.603 0.3 1 165 320 93 ASP N N 123.798 0.3 1 166 321 94 LEU H H 6.704 0.020 1 167 321 94 LEU CA C 57.184 0.3 1 168 321 94 LEU N N 119.680 0.3 1 169 323 96 GLN H H 7.659 0.020 1 170 323 96 GLN CA C 55.182 0.3 1 171 323 96 GLN N N 120.606 0.3 1 172 324 97 GLU H H 8.007 0.020 1 173 324 97 GLU CA C 56.884 0.3 1 174 324 97 GLU N N 128.405 0.3 1 175 325 98 GLY H H 10.611 0.020 1 176 325 98 GLY CA C 45.040 0.3 1 177 325 98 GLY N N 119.999 0.3 1 178 326 99 THR H H 8.530 0.020 1 179 326 99 THR CA C 61.564 0.3 1 180 326 99 THR N N 121.319 0.3 1 181 327 100 TRP H H 8.711 0.020 1 182 327 100 TRP CA C 57.710 0.3 1 183 327 100 TRP N N 128.916 0.3 1 184 328 101 GLN H H 9.046 0.020 1 185 328 101 GLN CA C 54.531 0.3 1 186 328 101 GLN N N 123.268 0.3 1 187 329 102 TRP H H 9.436 0.020 1 188 329 102 TRP CA C 56.834 0.3 1 189 329 102 TRP N N 128.676 0.3 1 190 330 103 VAL H H 8.885 0.020 1 191 330 103 VAL CA C 64.392 0.3 1 192 330 103 VAL N N 115.149 0.3 1 193 331 104 ASP H H 7.398 0.020 1 194 331 104 ASP CA C 53.505 0.3 1 195 331 104 ASP N N 117.978 0.3 1 196 332 105 GLY H H 8.558 0.020 1 197 332 105 GLY CA C 44.971 0.3 1 198 332 105 GLY N N 109.223 0.3 1 199 333 106 SER H H 8.288 0.020 1 200 333 106 SER CA C 57.184 0.3 1 201 333 106 SER N N 119.497 0.3 1 202 335 108 LEU H H 7.819 0.020 1 203 335 108 LEU CA C 55.057 0.3 1 204 335 108 LEU N N 120.643 0.3 1 205 336 109 LEU H H 8.697 0.020 1 206 336 109 LEU CA C 53.956 0.3 1 207 336 109 LEU N N 132.028 0.3 1 208 339 112 PHE H H 8.304 0.020 1 209 339 112 PHE CA C 57.835 0.3 1 210 339 112 PHE N N 120.560 0.3 1 211 340 113 LYS H H 7.483 0.020 1 212 340 113 LYS CA C 59.236 0.3 1 213 340 113 LYS N N 118.819 0.3 1 214 341 114 GLN H H 7.276 0.020 1 215 341 114 GLN CA C 56.333 0.3 1 216 341 114 GLN N N 113.771 0.3 1 217 342 115 TYR H H 6.691 0.020 1 218 342 115 TYR CA C 58.185 0.3 1 219 342 115 TYR N N 118.569 0.3 1 220 343 116 TRP H H 6.464 0.020 1 221 343 116 TRP CA C 57.860 0.3 1 222 343 116 TRP N N 117.780 0.3 1 223 344 117 ASN H H 9.995 0.020 1 224 344 117 ASN CA C 52.905 0.3 1 225 344 117 ASN N N 123.504 0.3 1 226 347 120 GLU H H 8.219 0.020 1 227 347 120 GLU CA C 52.404 0.3 1 228 347 120 GLU N N 118.841 0.3 1 229 349 122 ASN H H 9.497 0.020 1 230 349 122 ASN CA C 52.429 0.3 1 231 349 122 ASN N N 124.253 0.3 1 232 350 123 ASN H H 11.299 0.020 1 233 350 123 ASN CA C 54.872 0.3 1 234 350 123 ASN N N 126.169 0.3 1 235 351 124 VAL H H 7.153 0.020 1 236 351 124 VAL CA C 65.618 0.3 1 237 351 124 VAL N N 121.397 0.3 1 238 352 125 GLY H H 8.435 0.020 1 239 352 125 GLY CA C 47.021 0.3 1 240 352 125 GLY N N 116.255 0.3 1 241 353 126 GLU H H 7.354 0.020 1 242 353 126 GLU CA C 59.344 0.3 1 243 353 126 GLU N N 110.135 0.3 1 244 354 127 GLU H H 7.718 0.020 1 245 354 127 GLU CA C 55.658 0.3 1 246 354 127 GLU N N 124.979 0.3 1 247 355 128 ASP H H 8.142 0.020 1 248 355 128 ASP CA C 51.359 0.3 1 249 355 128 ASP N N 125.116 0.3 1 250 356 129 CYS H H 8.069 0.020 1 251 356 129 CYS CA C 59.036 0.3 1 252 356 129 CYS N N 116.758 0.3 1 253 357 130 ALA H H 7.971 0.020 1 254 357 130 ALA CA C 51.578 0.3 1 255 357 130 ALA N N 125.805 0.3 1 256 358 131 GLU H H 9.072 0.020 1 257 358 131 GLU CA C 52.629 0.3 1 258 358 131 GLU N N 116.884 0.3 1 259 359 132 PHE H H 9.452 0.020 1 260 359 132 PHE CA C 58.840 0.3 1 261 359 132 PHE N N 119.819 0.3 1 262 360 133 SER H H 8.901 0.020 1 263 360 133 SER CA C 56.133 0.3 1 264 360 133 SER N N 116.881 0.3 1 265 361 134 GLY H H 8.918 0.020 1 266 361 134 GLY CA C 47.123 0.3 1 267 361 134 GLY N N 117.036 0.3 1 268 363 136 GLY H H 7.562 0.020 1 269 363 136 GLY CA C 46.873 0.3 1 270 363 136 GLY N N 112.959 0.3 1 271 364 137 TRP H H 8.464 0.020 1 272 364 137 TRP CA C 52.729 0.3 1 273 364 137 TRP N N 122.369 0.3 1 274 365 138 ASN H H 9.105 0.020 1 275 365 138 ASN CA C 51.929 0.3 1 276 365 138 ASN N N 117.918 0.3 1 277 366 139 ASP H H 9.097 0.020 1 278 366 139 ASP CA C 52.229 0.3 1 279 366 139 ASP N N 121.474 0.3 1 280 367 140 ASP H H 9.884 0.020 1 281 367 140 ASP CA C 51.353 0.3 1 282 367 140 ASP N N 125.571 0.3 1 283 368 141 LYS H H 9.667 0.020 1 284 368 141 LYS CA C 58.135 0.3 1 285 368 141 LYS N N 120.704 0.3 1 286 369 142 CYS H H 8.464 0.020 1 287 369 142 CYS CA C 58.085 0.3 1 288 369 142 CYS N N 120.729 0.3 1 289 370 143 ASN H H 8.296 0.020 1 290 370 143 ASN CA C 54.106 0.3 1 291 370 143 ASN N N 112.509 0.3 1 292 371 144 LEU H H 8.017 0.020 1 293 371 144 LEU CA C 55.057 0.3 1 294 371 144 LEU N N 123.595 0.3 1 295 372 145 ALA H H 8.145 0.020 1 296 372 145 ALA CA C 51.278 0.3 1 297 372 145 ALA N N 122.108 0.3 1 298 373 146 LYS H H 8.539 0.020 1 299 373 146 LYS CA C 55.082 0.3 1 300 373 146 LYS N N 123.612 0.3 1 301 374 147 PHE H H 7.302 0.020 1 302 374 147 PHE CA C 59.887 0.3 1 303 374 147 PHE N N 117.392 0.3 1 304 375 148 TRP H H 8.865 0.020 1 305 375 148 TRP CA C 58.811 0.3 1 306 375 148 TRP N N 117.187 0.3 1 307 376 149 ILE H H 6.571 0.020 1 308 376 149 ILE CA C 59.036 0.3 1 309 376 149 ILE N N 116.975 0.3 1 310 377 150 CYS H H 9.037 0.020 1 311 377 150 CYS CA C 51.428 0.3 1 312 377 150 CYS N N 121.568 0.3 1 313 378 151 LYS H H 9.294 0.020 1 314 378 151 LYS CA C 54.932 0.3 1 315 378 151 LYS N N 123.742 0.3 1 316 379 152 LYS H H 9.107 0.020 1 317 379 152 LYS CA C 55.157 0.3 1 318 379 152 LYS N N 125.880 0.3 1 319 381 154 ALA H H 7.990 0.020 1 320 381 154 ALA CA C 53.297 0.3 1 321 381 154 ALA N N 125.637 0.3 1 322 388 161 GLU H H 8.271 0.020 1 323 388 161 GLU CA C 57.109 0.3 1 324 388 161 GLU N N 120.521 0.3 1 325 389 162 GLU H H 8.232 0.020 1 326 389 162 GLU CA C 57.234 0.3 1 327 389 162 GLU N N 121.053 0.3 1 328 390 163 GLN H H 8.119 0.020 1 329 390 163 GLN CA C 56.108 0.3 1 330 390 163 GLN N N 119.730 0.3 1 331 391 164 PHE H H 8.046 0.020 1 332 391 164 PHE CA C 57.660 0.3 1 333 391 164 PHE N N 120.447 0.3 1 334 395 168 ALA H H 8.140 0.020 1 335 395 168 ALA CA C 54.256 0.3 1 336 395 168 ALA N N 132.099 0.3 1 337 397 170 ALA H H 8.233 0.020 1 338 397 170 ALA CA C 50.427 0.3 1 339 397 170 ALA N N 125.744 0.3 1 340 398 171 THR H H 7.913 0.020 1 341 398 171 THR N N 116.411 0.3 1 342 400 173 ASN H H 7.941 0.020 1 343 400 173 ASN CA C 51.278 0.3 1 344 400 173 ASN N N 114.843 0.3 1 345 404 177 ALA H H 7.806 0.020 1 346 404 177 ALA CA C 53.705 0.3 1 347 404 177 ALA N N 129.672 0.3 1 stop_ save_