data_51695 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51695 _Entry.Title ; Chemical shift assignment of the intracellular domain of the prolactin receptor, residues 236-396 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-11-14 _Entry.Accession_date 2022-11-14 _Entry.Last_release_date 2022-11-14 _Entry.Original_release_date 2022-11-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Gitte Haxholm . W. . . 51695 2 Pernille Seiffert . . . 0000-0003-4213-5336 51695 3 Birthe Kragelund . B. . 0000-0002-7454-1761 51695 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51695 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 453 51695 '15N chemical shifts' 136 51695 '1H chemical shifts' 136 51695 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2023-06-06 . original BMRB . 51695 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51695 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37232489 _Citation.DOI 10.7554/eLife.84645 _Citation.Full_citation . _Citation.Title ; The prolactin receptor scaffolds Janus kinase 2 via co-structure formation with phosphoinositide-4,5-bisphosphate ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev eLife _Citation.Journal_name_full . _Citation.Journal_volume 12 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2050-084X _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first e84645 _Citation.Page_last e84645 _Citation.Year 2023 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Raul Araya-Secchi . . . . 51695 1 2 Katrine Bugge . . . . 51695 1 3 Pernille Seiffert . . . . 51695 1 4 Amalie Petry . . . . 51695 1 5 Gitte Haxholm . W. . . 51695 1 6 Kresten Lindorff-Larsen . . . . 51695 1 7 Stine Pedersen . F. . . 51695 1 8 Lise Arleth . . . . 51695 1 9 Birthe Kragelund . B. . . 51695 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51695 _Assembly.ID 1 _Assembly.Name PRLR-ICD(236-396) _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 20428.7 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 PRLR-ICD(236-396) 1 $entity_1 . . yes native no no . . . 51695 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51695 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GYSMVTCIFPPVPGPKIKGF DAHLLEKGKSEELLSALGCQ DFPPTSDYEDLLVEYLEVDD SEDQHLMSVHSKEHPSQGMK PTYLDPDTDSGRGSCDSPSL LSEKCEEPQANPSTFYDPEV IEKPENPETTHTWDPQCISM EGKIPYFHAGGSKCSTWPLP Q ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Sequence numbering without signal peptide' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 161 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 236 GLY . 51695 1 2 237 TYR . 51695 1 3 238 SER . 51695 1 4 239 MET . 51695 1 5 240 VAL . 51695 1 6 241 THR . 51695 1 7 242 CYS . 51695 1 8 243 ILE . 51695 1 9 244 PHE . 51695 1 10 245 PRO . 51695 1 11 246 PRO . 51695 1 12 247 VAL . 51695 1 13 248 PRO . 51695 1 14 249 GLY . 51695 1 15 250 PRO . 51695 1 16 251 LYS . 51695 1 17 252 ILE . 51695 1 18 253 LYS . 51695 1 19 254 GLY . 51695 1 20 255 PHE . 51695 1 21 256 ASP . 51695 1 22 257 ALA . 51695 1 23 258 HIS . 51695 1 24 259 LEU . 51695 1 25 260 LEU . 51695 1 26 261 GLU . 51695 1 27 262 LYS . 51695 1 28 263 GLY . 51695 1 29 264 LYS . 51695 1 30 265 SER . 51695 1 31 266 GLU . 51695 1 32 267 GLU . 51695 1 33 268 LEU . 51695 1 34 269 LEU . 51695 1 35 270 SER . 51695 1 36 271 ALA . 51695 1 37 272 LEU . 51695 1 38 273 GLY . 51695 1 39 274 CYS . 51695 1 40 275 GLN . 51695 1 41 276 ASP . 51695 1 42 277 PHE . 51695 1 43 278 PRO . 51695 1 44 279 PRO . 51695 1 45 280 THR . 51695 1 46 281 SER . 51695 1 47 282 ASP . 51695 1 48 283 TYR . 51695 1 49 284 GLU . 51695 1 50 285 ASP . 51695 1 51 286 LEU . 51695 1 52 287 LEU . 51695 1 53 288 VAL . 51695 1 54 289 GLU . 51695 1 55 290 TYR . 51695 1 56 291 LEU . 51695 1 57 292 GLU . 51695 1 58 293 VAL . 51695 1 59 294 ASP . 51695 1 60 295 ASP . 51695 1 61 296 SER . 51695 1 62 297 GLU . 51695 1 63 298 ASP . 51695 1 64 299 GLN . 51695 1 65 300 HIS . 51695 1 66 301 LEU . 51695 1 67 302 MET . 51695 1 68 303 SER . 51695 1 69 304 VAL . 51695 1 70 305 HIS . 51695 1 71 306 SER . 51695 1 72 307 LYS . 51695 1 73 308 GLU . 51695 1 74 309 HIS . 51695 1 75 310 PRO . 51695 1 76 311 SER . 51695 1 77 312 GLN . 51695 1 78 313 GLY . 51695 1 79 314 MET . 51695 1 80 315 LYS . 51695 1 81 316 PRO . 51695 1 82 317 THR . 51695 1 83 318 TYR . 51695 1 84 319 LEU . 51695 1 85 320 ASP . 51695 1 86 321 PRO . 51695 1 87 322 ASP . 51695 1 88 323 THR . 51695 1 89 324 ASP . 51695 1 90 325 SER . 51695 1 91 326 GLY . 51695 1 92 327 ARG . 51695 1 93 328 GLY . 51695 1 94 329 SER . 51695 1 95 330 CYS . 51695 1 96 331 ASP . 51695 1 97 332 SER . 51695 1 98 333 PRO . 51695 1 99 334 SER . 51695 1 100 335 LEU . 51695 1 101 336 LEU . 51695 1 102 337 SER . 51695 1 103 338 GLU . 51695 1 104 339 LYS . 51695 1 105 340 CYS . 51695 1 106 341 GLU . 51695 1 107 342 GLU . 51695 1 108 343 PRO . 51695 1 109 344 GLN . 51695 1 110 345 ALA . 51695 1 111 346 ASN . 51695 1 112 347 PRO . 51695 1 113 348 SER . 51695 1 114 349 THR . 51695 1 115 350 PHE . 51695 1 116 351 TYR . 51695 1 117 352 ASP . 51695 1 118 353 PRO . 51695 1 119 354 GLU . 51695 1 120 355 VAL . 51695 1 121 356 ILE . 51695 1 122 357 GLU . 51695 1 123 358 LYS . 51695 1 124 359 PRO . 51695 1 125 360 GLU . 51695 1 126 361 ASN . 51695 1 127 362 PRO . 51695 1 128 363 GLU . 51695 1 129 364 THR . 51695 1 130 365 THR . 51695 1 131 366 HIS . 51695 1 132 367 THR . 51695 1 133 368 TRP . 51695 1 134 369 ASP . 51695 1 135 370 PRO . 51695 1 136 371 GLN . 51695 1 137 372 CYS . 51695 1 138 373 ILE . 51695 1 139 374 SER . 51695 1 140 375 MET . 51695 1 141 376 GLU . 51695 1 142 377 GLY . 51695 1 143 378 LYS . 51695 1 144 379 ILE . 51695 1 145 380 PRO . 51695 1 146 381 TYR . 51695 1 147 382 PHE . 51695 1 148 383 HIS . 51695 1 149 384 ALA . 51695 1 150 385 GLY . 51695 1 151 386 GLY . 51695 1 152 387 SER . 51695 1 153 388 LYS . 51695 1 154 389 CYS . 51695 1 155 390 SER . 51695 1 156 391 THR . 51695 1 157 392 TRP . 51695 1 158 393 PRO . 51695 1 159 394 LEU . 51695 1 160 395 PRO . 51695 1 161 396 GLN . 51695 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 51695 1 . TYR 2 2 51695 1 . SER 3 3 51695 1 . MET 4 4 51695 1 . VAL 5 5 51695 1 . THR 6 6 51695 1 . CYS 7 7 51695 1 . ILE 8 8 51695 1 . PHE 9 9 51695 1 . PRO 10 10 51695 1 . PRO 11 11 51695 1 . VAL 12 12 51695 1 . PRO 13 13 51695 1 . GLY 14 14 51695 1 . PRO 15 15 51695 1 . LYS 16 16 51695 1 . ILE 17 17 51695 1 . LYS 18 18 51695 1 . GLY 19 19 51695 1 . PHE 20 20 51695 1 . ASP 21 21 51695 1 . ALA 22 22 51695 1 . HIS 23 23 51695 1 . LEU 24 24 51695 1 . LEU 25 25 51695 1 . GLU 26 26 51695 1 . LYS 27 27 51695 1 . GLY 28 28 51695 1 . LYS 29 29 51695 1 . SER 30 30 51695 1 . GLU 31 31 51695 1 . GLU 32 32 51695 1 . LEU 33 33 51695 1 . LEU 34 34 51695 1 . SER 35 35 51695 1 . ALA 36 36 51695 1 . LEU 37 37 51695 1 . GLY 38 38 51695 1 . CYS 39 39 51695 1 . GLN 40 40 51695 1 . ASP 41 41 51695 1 . PHE 42 42 51695 1 . PRO 43 43 51695 1 . PRO 44 44 51695 1 . THR 45 45 51695 1 . SER 46 46 51695 1 . ASP 47 47 51695 1 . TYR 48 48 51695 1 . GLU 49 49 51695 1 . ASP 50 50 51695 1 . LEU 51 51 51695 1 . LEU 52 52 51695 1 . VAL 53 53 51695 1 . GLU 54 54 51695 1 . TYR 55 55 51695 1 . LEU 56 56 51695 1 . GLU 57 57 51695 1 . VAL 58 58 51695 1 . ASP 59 59 51695 1 . ASP 60 60 51695 1 . SER 61 61 51695 1 . GLU 62 62 51695 1 . ASP 63 63 51695 1 . GLN 64 64 51695 1 . HIS 65 65 51695 1 . LEU 66 66 51695 1 . MET 67 67 51695 1 . SER 68 68 51695 1 . VAL 69 69 51695 1 . HIS 70 70 51695 1 . SER 71 71 51695 1 . LYS 72 72 51695 1 . GLU 73 73 51695 1 . HIS 74 74 51695 1 . PRO 75 75 51695 1 . SER 76 76 51695 1 . GLN 77 77 51695 1 . GLY 78 78 51695 1 . MET 79 79 51695 1 . LYS 80 80 51695 1 . PRO 81 81 51695 1 . THR 82 82 51695 1 . TYR 83 83 51695 1 . LEU 84 84 51695 1 . ASP 85 85 51695 1 . PRO 86 86 51695 1 . ASP 87 87 51695 1 . THR 88 88 51695 1 . ASP 89 89 51695 1 . SER 90 90 51695 1 . GLY 91 91 51695 1 . ARG 92 92 51695 1 . GLY 93 93 51695 1 . SER 94 94 51695 1 . CYS 95 95 51695 1 . ASP 96 96 51695 1 . SER 97 97 51695 1 . PRO 98 98 51695 1 . SER 99 99 51695 1 . LEU 100 100 51695 1 . LEU 101 101 51695 1 . SER 102 102 51695 1 . GLU 103 103 51695 1 . LYS 104 104 51695 1 . CYS 105 105 51695 1 . GLU 106 106 51695 1 . GLU 107 107 51695 1 . PRO 108 108 51695 1 . GLN 109 109 51695 1 . ALA 110 110 51695 1 . ASN 111 111 51695 1 . PRO 112 112 51695 1 . SER 113 113 51695 1 . THR 114 114 51695 1 . PHE 115 115 51695 1 . TYR 116 116 51695 1 . ASP 117 117 51695 1 . PRO 118 118 51695 1 . GLU 119 119 51695 1 . VAL 120 120 51695 1 . ILE 121 121 51695 1 . GLU 122 122 51695 1 . LYS 123 123 51695 1 . PRO 124 124 51695 1 . GLU 125 125 51695 1 . ASN 126 126 51695 1 . PRO 127 127 51695 1 . GLU 128 128 51695 1 . THR 129 129 51695 1 . THR 130 130 51695 1 . HIS 131 131 51695 1 . THR 132 132 51695 1 . TRP 133 133 51695 1 . ASP 134 134 51695 1 . PRO 135 135 51695 1 . GLN 136 136 51695 1 . CYS 137 137 51695 1 . ILE 138 138 51695 1 . SER 139 139 51695 1 . MET 140 140 51695 1 . GLU 141 141 51695 1 . GLY 142 142 51695 1 . LYS 143 143 51695 1 . ILE 144 144 51695 1 . PRO 145 145 51695 1 . TYR 146 146 51695 1 . PHE 147 147 51695 1 . HIS 148 148 51695 1 . ALA 149 149 51695 1 . GLY 150 150 51695 1 . GLY 151 151 51695 1 . SER 152 152 51695 1 . LYS 153 153 51695 1 . CYS 154 154 51695 1 . SER 155 155 51695 1 . THR 156 156 51695 1 . TRP 157 157 51695 1 . PRO 158 158 51695 1 . LEU 159 159 51695 1 . PRO 160 160 51695 1 . GLN 161 161 51695 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51695 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51695 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51695 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET11a . . . 51695 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51695 _Sample.ID 1 _Sample.Name PRLR-ICD(236-396) _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51695 1 2 PRLR-ICD(236-396) '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 650 500 800 uM . . . . 51695 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 51695 1 4 TCEP 'natural abundance' . . . . . . 6.5 5 8 mM . . . . 51695 1 5 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 51695 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 51695 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Phosphatebuffer, pH 7.3' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.3 . pH 51695 1 pressure 1 . atm 51695 1 temperature 277.15 . K 51695 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51695 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51695 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51695 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Varian Inova 750' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51695 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51695 1 2 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51695 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51695 1 4 '3D HN(CO)CACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51695 1 5 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51695 1 6 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51695 1 7 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51695 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51695 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name PRLR-ICD(236-396) _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 51695 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51695 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51695 1 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51695 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'PRLRICD(236-396), shiftlist' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51695 1 2 '3D HN(CO)CA' . . . 51695 1 3 '3D HNCA' . . . 51695 1 4 '3D HN(CO)CACB' . . . 51695 1 5 '3D HN(CA)CO' . . . 51695 1 6 '3D HNCACB' . . . 51695 1 7 '3D HNCO' . . . 51695 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51695 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 TYR C C 13 175.745 0.010 . 1 . . . . . 237 TYR C . 51695 1 2 . 1 . 1 2 2 TYR CA C 13 58.013 0.003 . 1 . . . . . 237 TYR CA . 51695 1 3 . 1 . 1 2 2 TYR CB C 13 39.157 0.031 . 1 . . . . . 237 TYR CB . 51695 1 4 . 1 . 1 3 3 SER H H 1 8.061 0.000 . 1 . . . . . 238 SER H . 51695 1 5 . 1 . 1 3 3 SER C C 13 173.871 0.005 . 1 . . . . . 238 SER C . 51695 1 6 . 1 . 1 3 3 SER CA C 13 57.847 0.026 . 1 . . . . . 238 SER CA . 51695 1 7 . 1 . 1 3 3 SER CB C 13 63.857 0.014 . 1 . . . . . 238 SER CB . 51695 1 8 . 1 . 1 3 3 SER N N 15 118.364 0.005 . 1 . . . . . 238 SER N . 51695 1 9 . 1 . 1 4 4 MET H H 1 8.186 0.001 . 1 . . . . . 239 MET H . 51695 1 10 . 1 . 1 4 4 MET C C 13 176.100 0.011 . 1 . . . . . 239 MET C . 51695 1 11 . 1 . 1 4 4 MET CA C 13 55.549 0.034 . 1 . . . . . 239 MET CA . 51695 1 12 . 1 . 1 4 4 MET CB C 13 32.825 0.059 . 1 . . . . . 239 MET CB . 51695 1 13 . 1 . 1 4 4 MET N N 15 122.864 0.007 . 1 . . . . . 239 MET N . 51695 1 14 . 1 . 1 5 5 VAL H H 1 7.944 0.001 . 1 . . . . . 240 VAL H . 51695 1 15 . 1 . 1 5 5 VAL C C 13 176.253 0.017 . 1 . . . . . 240 VAL C . 51695 1 16 . 1 . 1 5 5 VAL CA C 13 62.420 0.027 . 1 . . . . . 240 VAL CA . 51695 1 17 . 1 . 1 5 5 VAL CB C 13 32.882 0.071 . 1 . . . . . 240 VAL CB . 51695 1 18 . 1 . 1 5 5 VAL N N 15 121.730 0.005 . 1 . . . . . 240 VAL N . 51695 1 19 . 1 . 1 6 6 THR H H 1 8.013 0.001 . 1 . . . . . 241 THR H . 51695 1 20 . 1 . 1 6 6 THR C C 13 174.020 0.006 . 1 . . . . . 241 THR C . 51695 1 21 . 1 . 1 6 6 THR CA C 13 61.902 0.024 . 1 . . . . . 241 THR CA . 51695 1 22 . 1 . 1 6 6 THR CB C 13 69.705 0.021 . 1 . . . . . 241 THR CB . 51695 1 23 . 1 . 1 6 6 THR N N 15 118.607 0.010 . 1 . . . . . 241 THR N . 51695 1 24 . 1 . 1 7 7 CYS H H 1 8.081 0.001 . 1 . . . . . 242 CYS H . 51695 1 25 . 1 . 1 7 7 CYS C C 13 173.707 0.006 . 1 . . . . . 242 CYS C . 51695 1 26 . 1 . 1 7 7 CYS CA C 13 58.247 0.038 . 1 . . . . . 242 CYS CA . 51695 1 27 . 1 . 1 7 7 CYS CB C 13 28.202 0.025 . 1 . . . . . 242 CYS CB . 51695 1 28 . 1 . 1 7 7 CYS N N 15 122.560 0.014 . 1 . . . . . 242 CYS N . 51695 1 29 . 1 . 1 8 8 ILE H H 1 7.881 0.001 . 1 . . . . . 243 ILE H . 51695 1 30 . 1 . 1 8 8 ILE C C 13 175.503 0.006 . 1 . . . . . 243 ILE C . 51695 1 31 . 1 . 1 8 8 ILE CA C 13 60.887 0.026 . 1 . . . . . 243 ILE CA . 51695 1 32 . 1 . 1 8 8 ILE CB C 13 38.643 0.027 . 1 . . . . . 243 ILE CB . 51695 1 33 . 1 . 1 8 8 ILE N N 15 123.362 0.011 . 1 . . . . . 243 ILE N . 51695 1 34 . 1 . 1 9 9 PHE H H 1 8.084 0.001 . 1 . . . . . 244 PHE H . 51695 1 35 . 1 . 1 9 9 PHE C C 13 173.095 0.000 . 1 . . . . . 244 PHE C . 51695 1 36 . 1 . 1 9 9 PHE CA C 13 55.357 0.033 . 1 . . . . . 244 PHE CA . 51695 1 37 . 1 . 1 9 9 PHE CB C 13 39.102 0.000 . 1 . . . . . 244 PHE CB . 51695 1 38 . 1 . 1 9 9 PHE N N 15 125.337 0.007 . 1 . . . . . 244 PHE N . 51695 1 39 . 1 . 1 11 11 PRO C C 13 176.764 0.004 . 1 . . . . . 246 PRO C . 51695 1 40 . 1 . 1 11 11 PRO CA C 13 62.613 0.070 . 1 . . . . . 246 PRO CA . 51695 1 41 . 1 . 1 11 11 PRO CB C 13 31.927 0.000 . 1 . . . . . 246 PRO CB . 51695 1 42 . 1 . 1 12 12 VAL H H 1 8.051 0.001 . 1 . . . . . 247 VAL H . 51695 1 43 . 1 . 1 12 12 VAL C C 13 174.722 0.000 . 1 . . . . . 247 VAL C . 51695 1 44 . 1 . 1 12 12 VAL CA C 13 59.802 0.023 . 1 . . . . . 247 VAL CA . 51695 1 45 . 1 . 1 12 12 VAL CB C 13 32.575 0.000 . 1 . . . . . 247 VAL CB . 51695 1 46 . 1 . 1 12 12 VAL N N 15 121.726 0.014 . 1 . . . . . 247 VAL N . 51695 1 47 . 1 . 1 13 13 PRO C C 13 177.057 0.005 . 1 . . . . . 248 PRO C . 51695 1 48 . 1 . 1 13 13 PRO CA C 13 63.239 0.026 . 1 . . . . . 248 PRO CA . 51695 1 49 . 1 . 1 13 13 PRO CB C 13 32.332 0.025 . 1 . . . . . 248 PRO CB . 51695 1 50 . 1 . 1 14 14 GLY H H 1 8.047 0.001 . 1 . . . . . 249 GLY H . 51695 1 51 . 1 . 1 14 14 GLY CA C 13 44.513 0.116 . 1 . . . . . 249 GLY CA . 51695 1 52 . 1 . 1 14 14 GLY N N 15 109.158 0.014 . 1 . . . . . 249 GLY N . 51695 1 53 . 1 . 1 15 15 PRO C C 13 175.102 2.487 . 1 . . . . . 250 PRO C . 51695 1 54 . 1 . 1 15 15 PRO CA C 13 62.859 0.028 . 1 . . . . . 250 PRO CA . 51695 1 55 . 1 . 1 15 15 PRO CB C 13 32.277 0.028 . 1 . . . . . 250 PRO CB . 51695 1 56 . 1 . 1 16 16 LYS H H 1 8.197 0.001 . 1 . . . . . 251 LYS H . 51695 1 57 . 1 . 1 16 16 LYS C C 13 176.625 0.007 . 1 . . . . . 251 LYS C . 51695 1 58 . 1 . 1 16 16 LYS CA C 13 56.151 0.032 . 1 . . . . . 251 LYS CA . 51695 1 59 . 1 . 1 16 16 LYS CB C 13 32.877 0.033 . 1 . . . . . 251 LYS CB . 51695 1 60 . 1 . 1 16 16 LYS N N 15 121.480 0.009 . 1 . . . . . 251 LYS N . 51695 1 61 . 1 . 1 17 17 ILE H H 1 7.976 0.001 . 1 . . . . . 252 ILE H . 51695 1 62 . 1 . 1 17 17 ILE C C 13 176.091 0.011 . 1 . . . . . 252 ILE C . 51695 1 63 . 1 . 1 17 17 ILE CA C 13 60.662 0.025 . 1 . . . . . 252 ILE CA . 51695 1 64 . 1 . 1 17 17 ILE CB C 13 38.699 0.022 . 1 . . . . . 252 ILE CB . 51695 1 65 . 1 . 1 17 17 ILE N N 15 122.959 0.024 . 1 . . . . . 252 ILE N . 51695 1 66 . 1 . 1 18 18 LYS H H 1 8.260 0.001 . 1 . . . . . 253 LYS H . 51695 1 67 . 1 . 1 18 18 LYS C C 13 176.831 0.007 . 1 . . . . . 253 LYS C . 51695 1 68 . 1 . 1 18 18 LYS CA C 13 56.719 0.042 . 1 . . . . . 253 LYS CA . 51695 1 69 . 1 . 1 18 18 LYS CB C 13 32.973 0.049 . 1 . . . . . 253 LYS CB . 51695 1 70 . 1 . 1 18 18 LYS N N 15 126.467 0.019 . 1 . . . . . 253 LYS N . 51695 1 71 . 1 . 1 19 19 GLY H H 1 8.241 0.001 . 1 . . . . . 254 GLY H . 51695 1 72 . 1 . 1 19 19 GLY C C 13 173.799 0.008 . 1 . . . . . 254 GLY C . 51695 1 73 . 1 . 1 19 19 GLY CA C 13 45.014 0.054 . 1 . . . . . 254 GLY CA . 51695 1 74 . 1 . 1 19 19 GLY N N 15 110.641 0.011 . 1 . . . . . 254 GLY N . 51695 1 75 . 1 . 1 20 20 PHE H H 1 7.914 0.001 . 1 . . . . . 255 PHE H . 51695 1 76 . 1 . 1 20 20 PHE C C 13 175.236 0.008 . 1 . . . . . 255 PHE C . 51695 1 77 . 1 . 1 20 20 PHE CA C 13 58.161 0.032 . 1 . . . . . 255 PHE CA . 51695 1 78 . 1 . 1 20 20 PHE CB C 13 39.761 0.032 . 1 . . . . . 255 PHE CB . 51695 1 79 . 1 . 1 20 20 PHE N N 15 120.303 0.004 . 1 . . . . . 255 PHE N . 51695 1 80 . 1 . 1 21 21 ASP H H 1 7.972 0.001 . 1 . . . . . 256 ASP H . 51695 1 81 . 1 . 1 21 21 ASP C C 13 176.005 0.006 . 1 . . . . . 256 ASP C . 51695 1 82 . 1 . 1 21 21 ASP CA C 13 53.823 0.045 . 1 . . . . . 256 ASP CA . 51695 1 83 . 1 . 1 21 21 ASP CB C 13 41.071 0.020 . 1 . . . . . 256 ASP CB . 51695 1 84 . 1 . 1 21 21 ASP N N 15 122.562 0.015 . 1 . . . . . 256 ASP N . 51695 1 85 . 1 . 1 22 22 ALA H H 1 8.004 0.002 . 1 . . . . . 257 ALA H . 51695 1 86 . 1 . 1 22 22 ALA C C 13 178.324 0.007 . 1 . . . . . 257 ALA C . 51695 1 87 . 1 . 1 22 22 ALA CA C 13 53.474 0.044 . 1 . . . . . 257 ALA CA . 51695 1 88 . 1 . 1 22 22 ALA CB C 13 18.868 0.018 . 1 . . . . . 257 ALA CB . 51695 1 89 . 1 . 1 22 22 ALA N N 15 125.233 0.012 . 1 . . . . . 257 ALA N . 51695 1 90 . 1 . 1 23 23 HIS H H 1 8.123 0.003 . 1 . . . . . 258 HIS H . 51695 1 91 . 1 . 1 23 23 HIS C C 13 175.534 0.008 . 1 . . . . . 258 HIS C . 51695 1 92 . 1 . 1 23 23 HIS CA C 13 56.674 0.043 . 1 . . . . . 258 HIS CA . 51695 1 93 . 1 . 1 23 23 HIS CB C 13 29.006 0.013 . 1 . . . . . 258 HIS CB . 51695 1 94 . 1 . 1 23 23 HIS N N 15 116.470 0.017 . 1 . . . . . 258 HIS N . 51695 1 95 . 1 . 1 24 24 LEU H H 1 7.540 0.003 . 1 . . . . . 259 LEU H . 51695 1 96 . 1 . 1 24 24 LEU C C 13 177.662 0.012 . 1 . . . . . 259 LEU C . 51695 1 97 . 1 . 1 24 24 LEU CA C 13 55.684 0.037 . 1 . . . . . 259 LEU CA . 51695 1 98 . 1 . 1 24 24 LEU CB C 13 41.937 0.014 . 1 . . . . . 259 LEU CB . 51695 1 99 . 1 . 1 24 24 LEU N N 15 121.117 0.009 . 1 . . . . . 259 LEU N . 51695 1 100 . 1 . 1 25 25 LEU H H 1 7.718 0.001 . 1 . . . . . 260 LEU H . 51695 1 101 . 1 . 1 25 25 LEU CA C 13 55.435 0.055 . 1 . . . . . 260 LEU CA . 51695 1 102 . 1 . 1 25 25 LEU CB C 13 42.079 0.000 . 1 . . . . . 260 LEU CB . 51695 1 103 . 1 . 1 25 25 LEU N N 15 121.156 0.005 . 1 . . . . . 260 LEU N . 51695 1 104 . 1 . 1 26 26 GLU H H 1 7.881 0.001 . 1 . . . . . 261 GLU H . 51695 1 105 . 1 . 1 26 26 GLU C C 13 176.681 0.007 . 1 . . . . . 261 GLU C . 51695 1 106 . 1 . 1 26 26 GLU CA C 13 56.679 0.068 . 1 . . . . . 261 GLU CA . 51695 1 107 . 1 . 1 26 26 GLU CB C 13 30.219 0.001 . 1 . . . . . 261 GLU CB . 51695 1 108 . 1 . 1 26 26 GLU N N 15 121.056 0.021 . 1 . . . . . 261 GLU N . 51695 1 109 . 1 . 1 27 27 LYS H H 1 8.061 0.001 . 1 . . . . . 262 LYS H . 51695 1 110 . 1 . 1 27 27 LYS C C 13 177.503 0.106 . 1 . . . . . 262 LYS C . 51695 1 111 . 1 . 1 27 27 LYS CA C 13 56.867 0.039 . 1 . . . . . 262 LYS CA . 51695 1 112 . 1 . 1 27 27 LYS CB C 13 32.833 0.019 . 1 . . . . . 262 LYS CB . 51695 1 113 . 1 . 1 27 27 LYS N N 15 122.284 0.005 . 1 . . . . . 262 LYS N . 51695 1 114 . 1 . 1 28 28 GLY H H 1 8.212 0.001 . 1 . . . . . 263 GLY H . 51695 1 115 . 1 . 1 28 28 GLY C C 13 174.275 0.005 . 1 . . . . . 263 GLY C . 51695 1 116 . 1 . 1 28 28 GLY CA C 13 45.314 0.036 . 1 . . . . . 263 GLY CA . 51695 1 117 . 1 . 1 28 28 GLY N N 15 109.692 0.010 . 1 . . . . . 263 GLY N . 51695 1 118 . 1 . 1 29 29 LYS H H 1 7.880 0.001 . 1 . . . . . 264 LYS H . 51695 1 119 . 1 . 1 29 29 LYS C C 13 177.056 0.009 . 1 . . . . . 264 LYS C . 51695 1 120 . 1 . 1 29 29 LYS CA C 13 56.445 0.027 . 1 . . . . . 264 LYS CA . 51695 1 121 . 1 . 1 29 29 LYS CB C 13 33.045 0.029 . 1 . . . . . 264 LYS CB . 51695 1 122 . 1 . 1 29 29 LYS N N 15 120.729 0.003 . 1 . . . . . 264 LYS N . 51695 1 123 . 1 . 1 30 30 SER H H 1 8.138 0.001 . 1 . . . . . 265 SER H . 51695 1 124 . 1 . 1 30 30 SER C C 13 174.995 0.012 . 1 . . . . . 265 SER C . 51695 1 125 . 1 . 1 30 30 SER CA C 13 58.939 0.022 . 1 . . . . . 265 SER CA . 51695 1 126 . 1 . 1 30 30 SER CB C 13 63.531 0.009 . 1 . . . . . 265 SER CB . 51695 1 127 . 1 . 1 30 30 SER N N 15 116.869 0.021 . 1 . . . . . 265 SER N . 51695 1 128 . 1 . 1 31 31 GLU H H 1 8.302 0.001 . 1 . . . . . 266 GLU H . 51695 1 129 . 1 . 1 31 31 GLU C C 13 177.061 0.007 . 1 . . . . . 266 GLU C . 51695 1 130 . 1 . 1 31 31 GLU CA C 13 57.359 0.036 . 1 . . . . . 266 GLU CA . 51695 1 131 . 1 . 1 31 31 GLU CB C 13 29.951 0.045 . 1 . . . . . 266 GLU CB . 51695 1 132 . 1 . 1 31 31 GLU N N 15 122.427 0.007 . 1 . . . . . 266 GLU N . 51695 1 133 . 1 . 1 32 32 GLU H H 1 8.076 0.001 . 1 . . . . . 267 GLU H . 51695 1 134 . 1 . 1 32 32 GLU C C 13 177.002 0.025 . 1 . . . . . 267 GLU C . 51695 1 135 . 1 . 1 32 32 GLU CA C 13 57.221 0.038 . 1 . . . . . 267 GLU CA . 51695 1 136 . 1 . 1 32 32 GLU CB C 13 30.030 0.049 . 1 . . . . . 267 GLU CB . 51695 1 137 . 1 . 1 32 32 GLU N N 15 121.297 0.003 . 1 . . . . . 267 GLU N . 51695 1 138 . 1 . 1 33 33 LEU H H 1 7.908 0.001 . 1 . . . . . 268 LEU H . 51695 1 139 . 1 . 1 33 33 LEU C C 13 177.836 0.013 . 1 . . . . . 268 LEU C . 51695 1 140 . 1 . 1 33 33 LEU CA C 13 55.737 0.070 . 1 . . . . . 268 LEU CA . 51695 1 141 . 1 . 1 33 33 LEU CB C 13 42.075 0.005 . 1 . . . . . 268 LEU CB . 51695 1 142 . 1 . 1 33 33 LEU N N 15 122.575 0.005 . 1 . . . . . 268 LEU N . 51695 1 143 . 1 . 1 34 34 LEU H H 1 7.921 0.000 . 1 . . . . . 269 LEU H . 51695 1 144 . 1 . 1 34 34 LEU C C 13 178.059 0.008 . 1 . . . . . 269 LEU C . 51695 1 145 . 1 . 1 34 34 LEU CA C 13 55.673 0.067 . 1 . . . . . 269 LEU CA . 51695 1 146 . 1 . 1 34 34 LEU CB C 13 42.162 0.167 . 1 . . . . . 269 LEU CB . 51695 1 147 . 1 . 1 34 34 LEU N N 15 121.946 0.008 . 1 . . . . . 269 LEU N . 51695 1 148 . 1 . 1 35 35 SER H H 1 7.904 0.001 . 1 . . . . . 270 SER H . 51695 1 149 . 1 . 1 35 35 SER C C 13 174.780 0.008 . 1 . . . . . 270 SER C . 51695 1 150 . 1 . 1 35 35 SER CA C 13 58.750 0.022 . 1 . . . . . 270 SER CA . 51695 1 151 . 1 . 1 35 35 SER CB C 13 63.593 0.006 . 1 . . . . . 270 SER CB . 51695 1 152 . 1 . 1 35 35 SER N N 15 115.638 0.012 . 1 . . . . . 270 SER N . 51695 1 153 . 1 . 1 36 36 ALA H H 1 7.927 0.001 . 1 . . . . . 271 ALA H . 51695 1 154 . 1 . 1 36 36 ALA C C 13 178.044 0.008 . 1 . . . . . 271 ALA C . 51695 1 155 . 1 . 1 36 36 ALA CA C 13 52.878 0.044 . 1 . . . . . 271 ALA CA . 51695 1 156 . 1 . 1 36 36 ALA CB C 13 19.037 0.040 . 1 . . . . . 271 ALA CB . 51695 1 157 . 1 . 1 36 36 ALA N N 15 125.514 0.010 . 1 . . . . . 271 ALA N . 51695 1 158 . 1 . 1 37 37 LEU H H 1 7.813 0.001 . 1 . . . . . 272 LEU H . 51695 1 159 . 1 . 1 37 37 LEU C C 13 178.182 0.017 . 1 . . . . . 272 LEU C . 51695 1 160 . 1 . 1 37 37 LEU CA C 13 55.534 0.040 . 1 . . . . . 272 LEU CA . 51695 1 161 . 1 . 1 37 37 LEU CB C 13 42.277 0.028 . 1 . . . . . 272 LEU CB . 51695 1 162 . 1 . 1 37 37 LEU N N 15 120.048 0.012 . 1 . . . . . 272 LEU N . 51695 1 163 . 1 . 1 38 38 GLY H H 1 8.042 0.001 . 1 . . . . . 273 GLY H . 51695 1 164 . 1 . 1 38 38 GLY C C 13 174.111 0.007 . 1 . . . . . 273 GLY C . 51695 1 165 . 1 . 1 38 38 GLY CA C 13 45.184 0.058 . 1 . . . . . 273 GLY CA . 51695 1 166 . 1 . 1 38 38 GLY N N 15 108.834 0.007 . 1 . . . . . 273 GLY N . 51695 1 167 . 1 . 1 39 39 CYS H H 1 7.919 0.001 . 1 . . . . . 274 CYS H . 51695 1 168 . 1 . 1 39 39 CYS C C 13 174.780 0.010 . 1 . . . . . 274 CYS C . 51695 1 169 . 1 . 1 39 39 CYS CA C 13 58.714 0.026 . 1 . . . . . 274 CYS CA . 51695 1 170 . 1 . 1 39 39 CYS CB C 13 28.053 0.022 . 1 . . . . . 274 CYS CB . 51695 1 171 . 1 . 1 39 39 CYS N N 15 118.583 0.003 . 1 . . . . . 274 CYS N . 51695 1 172 . 1 . 1 40 40 GLN H H 1 8.278 0.001 . 1 . . . . . 275 GLN H . 51695 1 173 . 1 . 1 40 40 GLN C C 13 175.096 0.008 . 1 . . . . . 275 GLN C . 51695 1 174 . 1 . 1 40 40 GLN CA C 13 55.760 0.023 . 1 . . . . . 275 GLN CA . 51695 1 175 . 1 . 1 40 40 GLN CB C 13 29.447 0.032 . 1 . . . . . 275 GLN CB . 51695 1 176 . 1 . 1 40 40 GLN N N 15 122.714 0.009 . 1 . . . . . 275 GLN N . 51695 1 177 . 1 . 1 41 41 ASP H H 1 7.874 0.001 . 1 . . . . . 276 ASP H . 51695 1 178 . 1 . 1 41 41 ASP C C 13 175.171 0.007 . 1 . . . . . 276 ASP C . 51695 1 179 . 1 . 1 41 41 ASP CA C 13 54.338 0.040 . 1 . . . . . 276 ASP CA . 51695 1 180 . 1 . 1 41 41 ASP CB C 13 41.303 0.025 . 1 . . . . . 276 ASP CB . 51695 1 181 . 1 . 1 41 41 ASP N N 15 121.012 0.013 . 1 . . . . . 276 ASP N . 51695 1 182 . 1 . 1 42 42 PHE H H 1 7.846 0.001 . 1 . . . . . 277 PHE H . 51695 1 183 . 1 . 1 42 42 PHE C C 13 173.238 0.000 . 1 . . . . . 277 PHE C . 51695 1 184 . 1 . 1 42 42 PHE CA C 13 55.475 0.037 . 1 . . . . . 277 PHE CA . 51695 1 185 . 1 . 1 42 42 PHE CB C 13 38.977 0.000 . 1 . . . . . 277 PHE CB . 51695 1 186 . 1 . 1 42 42 PHE N N 15 120.640 0.018 . 1 . . . . . 277 PHE N . 51695 1 187 . 1 . 1 44 44 PRO C C 13 177.202 0.005 . 1 . . . . . 279 PRO C . 51695 1 188 . 1 . 1 44 44 PRO CA C 13 62.857 0.029 . 1 . . . . . 279 PRO CA . 51695 1 189 . 1 . 1 44 44 PRO CB C 13 32.081 0.049 . 1 . . . . . 279 PRO CB . 51695 1 190 . 1 . 1 45 45 THR H H 1 8.050 0.001 . 1 . . . . . 280 THR H . 51695 1 191 . 1 . 1 45 45 THR C C 13 174.658 0.007 . 1 . . . . . 280 THR C . 51695 1 192 . 1 . 1 45 45 THR CA C 13 61.699 0.019 . 1 . . . . . 280 THR CA . 51695 1 193 . 1 . 1 45 45 THR CB C 13 69.930 0.014 . 1 . . . . . 280 THR CB . 51695 1 194 . 1 . 1 45 45 THR N N 15 114.273 0.012 . 1 . . . . . 280 THR N . 51695 1 195 . 1 . 1 46 46 SER H H 1 8.129 0.001 . 1 . . . . . 281 SER H . 51695 1 196 . 1 . 1 46 46 SER C C 13 174.059 0.017 . 1 . . . . . 281 SER C . 51695 1 197 . 1 . 1 46 46 SER CA C 13 58.216 0.079 . 1 . . . . . 281 SER CA . 51695 1 198 . 1 . 1 46 46 SER CB C 13 63.942 0.019 . 1 . . . . . 281 SER CB . 51695 1 199 . 1 . 1 46 46 SER N N 15 117.685 0.010 . 1 . . . . . 281 SER N . 51695 1 200 . 1 . 1 47 47 ASP H H 1 8.107 0.001 . 1 . . . . . 282 ASP H . 51695 1 201 . 1 . 1 47 47 ASP C C 13 175.895 0.020 . 1 . . . . . 282 ASP C . 51695 1 202 . 1 . 1 47 47 ASP CA C 13 54.528 0.056 . 1 . . . . . 282 ASP CA . 51695 1 203 . 1 . 1 47 47 ASP CB C 13 41.012 0.082 . 1 . . . . . 282 ASP CB . 51695 1 204 . 1 . 1 47 47 ASP N N 15 122.216 0.000 . 1 . . . . . 282 ASP N . 51695 1 205 . 1 . 1 48 48 TYR H H 1 7.808 0.001 . 1 . . . . . 283 TYR H . 51695 1 206 . 1 . 1 48 48 TYR C C 13 175.752 0.008 . 1 . . . . . 283 TYR C . 51695 1 207 . 1 . 1 48 48 TYR CA C 13 58.223 0.036 . 1 . . . . . 283 TYR CA . 51695 1 208 . 1 . 1 48 48 TYR CB C 13 38.734 0.036 . 1 . . . . . 283 TYR CB . 51695 1 209 . 1 . 1 48 48 TYR N N 15 119.902 0.019 . 1 . . . . . 283 TYR N . 51695 1 210 . 1 . 1 49 49 GLU H H 1 7.890 0.001 . 1 . . . . . 284 GLU H . 51695 1 211 . 1 . 1 49 49 GLU C C 13 89.069 53.110 . 1 . . . . . 284 GLU C . 51695 1 212 . 1 . 1 49 49 GLU CB C 13 30.627 0.001 . 1 . . . . . 284 GLU CB . 51695 1 213 . 1 . 1 49 49 GLU N N 15 122.264 0.004 . 1 . . . . . 284 GLU N . 51695 1 214 . 1 . 1 50 50 ASP H H 1 8.014 0.000 . 1 . . . . . 285 ASP H . 51695 1 215 . 1 . 1 50 50 ASP C C 13 176.121 0.007 . 1 . . . . . 285 ASP C . 51695 1 216 . 1 . 1 50 50 ASP CA C 13 54.405 0.052 . 1 . . . . . 285 ASP CA . 51695 1 217 . 1 . 1 50 50 ASP CB C 13 40.978 0.042 . 1 . . . . . 285 ASP CB . 51695 1 218 . 1 . 1 50 50 ASP N N 15 121.283 0.007 . 1 . . . . . 285 ASP N . 51695 1 219 . 1 . 1 51 51 LEU H H 1 7.823 0.001 . 1 . . . . . 286 LEU H . 51695 1 220 . 1 . 1 51 51 LEU C C 13 177.215 0.007 . 1 . . . . . 286 LEU C . 51695 1 221 . 1 . 1 51 51 LEU CA C 13 55.160 0.028 . 1 . . . . . 286 LEU CA . 51695 1 222 . 1 . 1 51 51 LEU CB C 13 45.955 5.813 . 1 . . . . . 286 LEU CB . 51695 1 223 . 1 . 1 51 51 LEU N N 15 122.302 0.010 . 1 . . . . . 286 LEU N . 51695 1 224 . 1 . 1 52 52 LEU H H 1 7.943 0.001 . 1 . . . . . 287 LEU H . 51695 1 225 . 1 . 1 52 52 LEU C C 13 177.066 0.003 . 1 . . . . . 287 LEU C . 51695 1 226 . 1 . 1 52 52 LEU CA C 13 55.055 0.108 . 1 . . . . . 287 LEU CA . 51695 1 227 . 1 . 1 52 52 LEU CB C 13 41.947 0.040 . 1 . . . . . 287 LEU CB . 51695 1 228 . 1 . 1 52 52 LEU N N 15 123.037 0.006 . 1 . . . . . 287 LEU N . 51695 1 229 . 1 . 1 53 53 VAL H H 1 7.740 0.001 . 1 . . . . . 288 VAL H . 51695 1 230 . 1 . 1 53 53 VAL C C 13 175.687 0.016 . 1 . . . . . 288 VAL C . 51695 1 231 . 1 . 1 53 53 VAL CA C 13 62.221 0.026 . 1 . . . . . 288 VAL CA . 51695 1 232 . 1 . 1 53 53 VAL CB C 13 32.900 0.035 . 1 . . . . . 288 VAL CB . 51695 1 233 . 1 . 1 53 53 VAL N N 15 121.970 0.009 . 1 . . . . . 288 VAL N . 51695 1 234 . 1 . 1 54 54 GLU H H 1 8.111 0.001 . 1 . . . . . 289 GLU H . 51695 1 235 . 1 . 1 54 54 GLU C C 13 175.617 0.013 . 1 . . . . . 289 GLU C . 51695 1 236 . 1 . 1 54 54 GLU CA C 13 56.168 0.023 . 1 . . . . . 289 GLU CA . 51695 1 237 . 1 . 1 54 54 GLU CB C 13 30.791 0.006 . 1 . . . . . 289 GLU CB . 51695 1 238 . 1 . 1 54 54 GLU N N 15 124.663 0.012 . 1 . . . . . 289 GLU N . 51695 1 239 . 1 . 1 55 55 TYR H H 1 8.065 0.001 . 1 . . . . . 290 TYR H . 51695 1 240 . 1 . 1 55 55 TYR C C 13 175.080 0.003 . 1 . . . . . 290 TYR C . 51695 1 241 . 1 . 1 55 55 TYR CA C 13 57.788 0.036 . 1 . . . . . 290 TYR CA . 51695 1 242 . 1 . 1 55 55 TYR CB C 13 38.927 0.010 . 1 . . . . . 290 TYR CB . 51695 1 243 . 1 . 1 55 55 TYR N N 15 122.272 0.014 . 1 . . . . . 290 TYR N . 51695 1 244 . 1 . 1 56 56 LEU H H 1 7.821 0.001 . 1 . . . . . 291 LEU H . 51695 1 245 . 1 . 1 56 56 LEU C C 13 176.370 0.006 . 1 . . . . . 291 LEU C . 51695 1 246 . 1 . 1 56 56 LEU CA C 13 54.521 0.049 . 1 . . . . . 291 LEU CA . 51695 1 247 . 1 . 1 56 56 LEU CB C 13 42.917 0.032 . 1 . . . . . 291 LEU CB . 51695 1 248 . 1 . 1 56 56 LEU N N 15 125.239 0.016 . 1 . . . . . 291 LEU N . 51695 1 249 . 1 . 1 57 57 GLU H H 1 8.068 0.001 . 1 . . . . . 292 GLU H . 51695 1 250 . 1 . 1 57 57 GLU C C 13 176.201 0.018 . 1 . . . . . 292 GLU C . 51695 1 251 . 1 . 1 57 57 GLU CA C 13 56.261 0.035 . 1 . . . . . 292 GLU CA . 51695 1 252 . 1 . 1 57 57 GLU CB C 13 30.216 0.022 . 1 . . . . . 292 GLU CB . 51695 1 253 . 1 . 1 57 57 GLU N N 15 122.728 0.031 . 1 . . . . . 292 GLU N . 51695 1 254 . 1 . 1 58 58 VAL H H 1 7.978 0.002 . 1 . . . . . 293 VAL H . 51695 1 255 . 1 . 1 58 58 VAL C C 13 175.620 0.008 . 1 . . . . . 293 VAL C . 51695 1 256 . 1 . 1 58 58 VAL CA C 13 61.891 0.013 . 1 . . . . . 293 VAL CA . 51695 1 257 . 1 . 1 58 58 VAL CB C 13 33.278 0.039 . 1 . . . . . 293 VAL CB . 51695 1 258 . 1 . 1 58 58 VAL N N 15 121.772 0.013 . 1 . . . . . 293 VAL N . 51695 1 259 . 1 . 1 59 59 ASP H H 1 8.255 0.000 . 1 . . . . . 294 ASP H . 51695 1 260 . 1 . 1 59 59 ASP C C 13 175.928 0.002 . 1 . . . . . 294 ASP C . 51695 1 261 . 1 . 1 59 59 ASP CA C 13 53.975 0.047 . 1 . . . . . 294 ASP CA . 51695 1 262 . 1 . 1 59 59 ASP CB C 13 41.254 0.021 . 1 . . . . . 294 ASP CB . 51695 1 263 . 1 . 1 59 59 ASP N N 15 124.689 0.006 . 1 . . . . . 294 ASP N . 51695 1 264 . 1 . 1 60 60 ASP H H 1 8.156 0.000 . 1 . . . . . 295 ASP H . 51695 1 265 . 1 . 1 60 60 ASP C C 13 176.636 0.003 . 1 . . . . . 295 ASP C . 51695 1 266 . 1 . 1 60 60 ASP CA C 13 54.119 0.039 . 1 . . . . . 295 ASP CA . 51695 1 267 . 1 . 1 60 60 ASP CB C 13 41.005 0.049 . 1 . . . . . 295 ASP CB . 51695 1 268 . 1 . 1 60 60 ASP N N 15 122.859 0.004 . 1 . . . . . 295 ASP N . 51695 1 269 . 1 . 1 61 61 SER H H 1 8.079 0.001 . 1 . . . . . 296 SER H . 51695 1 270 . 1 . 1 61 61 SER C C 13 175.198 0.008 . 1 . . . . . 296 SER C . 51695 1 271 . 1 . 1 61 61 SER CA C 13 59.309 0.028 . 1 . . . . . 296 SER CA . 51695 1 272 . 1 . 1 61 61 SER CB C 13 63.804 0.027 . 1 . . . . . 296 SER CB . 51695 1 273 . 1 . 1 61 61 SER N N 15 116.253 0.022 . 1 . . . . . 296 SER N . 51695 1 274 . 1 . 1 62 62 GLU H H 1 8.173 0.001 . 1 . . . . . 297 GLU H . 51695 1 275 . 1 . 1 62 62 GLU C C 13 176.640 0.009 . 1 . . . . . 297 GLU C . 51695 1 276 . 1 . 1 62 62 GLU CA C 13 57.069 0.043 . 1 . . . . . 297 GLU CA . 51695 1 277 . 1 . 1 62 62 GLU CB C 13 29.998 0.042 . 1 . . . . . 297 GLU CB . 51695 1 278 . 1 . 1 62 62 GLU N N 15 122.199 0.013 . 1 . . . . . 297 GLU N . 51695 1 279 . 1 . 1 63 63 ASP H H 1 7.994 0.001 . 1 . . . . . 298 ASP H . 51695 1 280 . 1 . 1 63 63 ASP C C 13 176.844 0.009 . 1 . . . . . 298 ASP C . 51695 1 281 . 1 . 1 63 63 ASP CA C 13 54.796 0.038 . 1 . . . . . 298 ASP CA . 51695 1 282 . 1 . 1 63 63 ASP CB C 13 40.844 0.023 . 1 . . . . . 298 ASP CB . 51695 1 283 . 1 . 1 63 63 ASP N N 15 120.405 0.011 . 1 . . . . . 298 ASP N . 51695 1 284 . 1 . 1 64 64 GLN H H 1 8.070 0.001 . 1 . . . . . 299 GLN H . 51695 1 285 . 1 . 1 64 64 GLN C C 13 176.676 0.014 . 1 . . . . . 299 GLN C . 51695 1 286 . 1 . 1 64 64 GLN CA C 13 56.555 0.043 . 1 . . . . . 299 GLN CA . 51695 1 287 . 1 . 1 64 64 GLN CB C 13 28.808 0.028 . 1 . . . . . 299 GLN CB . 51695 1 288 . 1 . 1 64 64 GLN N N 15 120.465 0.008 . 1 . . . . . 299 GLN N . 51695 1 289 . 1 . 1 65 65 HIS H H 1 8.156 0.001 . 1 . . . . . 300 HIS H . 51695 1 290 . 1 . 1 65 65 HIS C C 13 175.371 0.006 . 1 . . . . . 300 HIS C . 51695 1 291 . 1 . 1 65 65 HIS CA C 13 56.507 0.062 . 1 . . . . . 300 HIS CA . 51695 1 292 . 1 . 1 65 65 HIS CB C 13 28.833 0.067 . 1 . . . . . 300 HIS CB . 51695 1 293 . 1 . 1 65 65 HIS N N 15 118.415 0.016 . 1 . . . . . 300 HIS N . 51695 1 294 . 1 . 1 66 66 LEU H H 1 7.848 0.002 . 1 . . . . . 301 LEU H . 51695 1 295 . 1 . 1 66 66 LEU C C 13 177.785 0.007 . 1 . . . . . 301 LEU C . 51695 1 296 . 1 . 1 66 66 LEU CA C 13 55.719 0.067 . 1 . . . . . 301 LEU CA . 51695 1 297 . 1 . 1 66 66 LEU CB C 13 42.007 0.020 . 1 . . . . . 301 LEU CB . 51695 1 298 . 1 . 1 66 66 LEU N N 15 121.175 0.035 . 1 . . . . . 301 LEU N . 51695 1 299 . 1 . 1 67 67 MET H H 1 7.995 0.001 . 1 . . . . . 302 MET H . 51695 1 300 . 1 . 1 67 67 MET C C 13 176.593 0.010 . 1 . . . . . 302 MET C . 51695 1 301 . 1 . 1 67 67 MET CA C 13 55.760 0.025 . 1 . . . . . 302 MET CA . 51695 1 302 . 1 . 1 67 67 MET CB C 13 32.624 0.109 . 1 . . . . . 302 MET CB . 51695 1 303 . 1 . 1 67 67 MET N N 15 119.776 0.003 . 1 . . . . . 302 MET N . 51695 1 304 . 1 . 1 68 68 SER H H 1 7.951 0.001 . 1 . . . . . 303 SER H . 51695 1 305 . 1 . 1 68 68 SER C C 13 174.890 0.007 . 1 . . . . . 303 SER C . 51695 1 306 . 1 . 1 68 68 SER CA C 13 58.522 0.015 . 1 . . . . . 303 SER CA . 51695 1 307 . 1 . 1 68 68 SER CB C 13 63.662 0.039 . 1 . . . . . 303 SER CB . 51695 1 308 . 1 . 1 68 68 SER N N 15 116.531 0.013 . 1 . . . . . 303 SER N . 51695 1 309 . 1 . 1 69 69 VAL H H 1 7.814 0.001 . 1 . . . . . 304 VAL H . 51695 1 310 . 1 . 1 69 69 VAL C C 13 176.278 0.017 . 1 . . . . . 304 VAL C . 51695 1 311 . 1 . 1 69 69 VAL CA C 13 62.859 0.019 . 1 . . . . . 304 VAL CA . 51695 1 312 . 1 . 1 69 69 VAL CB C 13 32.380 0.032 . 1 . . . . . 304 VAL CB . 51695 1 313 . 1 . 1 69 69 VAL N N 15 121.223 0.010 . 1 . . . . . 304 VAL N . 51695 1 314 . 1 . 1 70 70 HIS H H 1 8.068 0.001 . 1 . . . . . 305 HIS H . 51695 1 315 . 1 . 1 70 70 HIS C C 13 175.298 0.010 . 1 . . . . . 305 HIS C . 51695 1 316 . 1 . 1 70 70 HIS CA C 13 56.079 0.043 . 1 . . . . . 305 HIS CA . 51695 1 317 . 1 . 1 70 70 HIS CB C 13 30.064 0.022 . 1 . . . . . 305 HIS CB . 51695 1 318 . 1 . 1 70 70 HIS N N 15 121.643 0.000 . 1 . . . . . 305 HIS N . 51695 1 319 . 1 . 1 71 71 SER H H 1 7.973 0.002 . 1 . . . . . 306 SER H . 51695 1 320 . 1 . 1 71 71 SER C C 13 174.757 0.000 . 1 . . . . . 306 SER C . 51695 1 321 . 1 . 1 71 71 SER CA C 13 58.567 0.004 . 1 . . . . . 306 SER CA . 51695 1 322 . 1 . 1 71 71 SER CB C 13 63.769 0.000 . 1 . . . . . 306 SER CB . 51695 1 323 . 1 . 1 71 71 SER N N 15 116.843 0.020 . 1 . . . . . 306 SER N . 51695 1 324 . 1 . 1 72 72 LYS C C 13 176.667 0.000 . 1 . . . . . 307 LYS C . 51695 1 325 . 1 . 1 72 72 LYS CA C 13 56.789 0.013 . 1 . . . . . 307 LYS CA . 51695 1 326 . 1 . 1 72 72 LYS CB C 13 32.797 0.020 . 1 . . . . . 307 LYS CB . 51695 1 327 . 1 . 1 73 73 GLU H H 1 7.954 0.001 . 1 . . . . . 308 GLU H . 51695 1 328 . 1 . 1 73 73 GLU C C 13 175.927 0.007 . 1 . . . . . 308 GLU C . 51695 1 329 . 1 . 1 73 73 GLU CA C 13 56.582 0.014 . 1 . . . . . 308 GLU CA . 51695 1 330 . 1 . 1 73 73 GLU CB C 13 30.256 0.005 . 1 . . . . . 308 GLU CB . 51695 1 331 . 1 . 1 73 73 GLU N N 15 120.029 0.005 . 1 . . . . . 308 GLU N . 51695 1 332 . 1 . 1 74 74 HIS H H 1 8.037 0.002 . 1 . . . . . 309 HIS H . 51695 1 333 . 1 . 1 74 74 HIS C C 13 173.075 0.000 . 1 . . . . . 309 HIS C . 51695 1 334 . 1 . 1 74 74 HIS CA C 13 53.914 0.048 . 1 . . . . . 309 HIS CA . 51695 1 335 . 1 . 1 74 74 HIS CB C 13 29.822 0.000 . 1 . . . . . 309 HIS CB . 51695 1 336 . 1 . 1 74 74 HIS N N 15 120.580 0.044 . 1 . . . . . 309 HIS N . 51695 1 337 . 1 . 1 75 75 PRO C C 13 177.224 0.008 . 1 . . . . . 310 PRO C . 51695 1 338 . 1 . 1 75 75 PRO CA C 13 63.384 0.127 . 1 . . . . . 310 PRO CA . 51695 1 339 . 1 . 1 75 75 PRO CB C 13 32.154 0.037 . 1 . . . . . 310 PRO CB . 51695 1 340 . 1 . 1 76 76 SER H H 1 8.484 0.002 . 1 . . . . . 311 SER H . 51695 1 341 . 1 . 1 76 76 SER C C 13 174.898 0.007 . 1 . . . . . 311 SER C . 51695 1 342 . 1 . 1 76 76 SER CA C 13 58.588 0.027 . 1 . . . . . 311 SER CA . 51695 1 343 . 1 . 1 76 76 SER CB C 13 63.657 0.037 . 1 . . . . . 311 SER CB . 51695 1 344 . 1 . 1 76 76 SER N N 15 116.442 0.008 . 1 . . . . . 311 SER N . 51695 1 345 . 1 . 1 77 77 GLN H H 1 8.218 0.002 . 1 . . . . . 312 GLN H . 51695 1 346 . 1 . 1 77 77 GLN C C 13 176.406 0.012 . 1 . . . . . 312 GLN C . 51695 1 347 . 1 . 1 77 77 GLN CA C 13 56.073 0.041 . 1 . . . . . 312 GLN CA . 51695 1 348 . 1 . 1 77 77 GLN CB C 13 29.407 0.026 . 1 . . . . . 312 GLN CB . 51695 1 349 . 1 . 1 77 77 GLN N N 15 122.027 0.014 . 1 . . . . . 312 GLN N . 51695 1 350 . 1 . 1 78 78 GLY H H 1 8.156 0.001 . 1 . . . . . 313 GLY H . 51695 1 351 . 1 . 1 78 78 GLY C C 13 173.862 0.009 . 1 . . . . . 313 GLY C . 51695 1 352 . 1 . 1 78 78 GLY CA C 13 45.154 0.028 . 1 . . . . . 313 GLY CA . 51695 1 353 . 1 . 1 78 78 GLY N N 15 109.627 0.004 . 1 . . . . . 313 GLY N . 51695 1 354 . 1 . 1 79 79 MET H H 1 7.939 0.001 . 1 . . . . . 314 MET H . 51695 1 355 . 1 . 1 79 79 MET C C 13 176.124 0.009 . 1 . . . . . 314 MET C . 51695 1 356 . 1 . 1 79 79 MET CA C 13 55.212 0.041 . 1 . . . . . 314 MET CA . 51695 1 357 . 1 . 1 79 79 MET CB C 13 32.905 0.057 . 1 . . . . . 314 MET CB . 51695 1 358 . 1 . 1 79 79 MET N N 15 119.628 0.007 . 1 . . . . . 314 MET N . 51695 1 359 . 1 . 1 80 80 LYS H H 1 8.159 0.001 . 1 . . . . . 315 LYS H . 51695 1 360 . 1 . 1 80 80 LYS C C 13 174.393 0.000 . 1 . . . . . 315 LYS C . 51695 1 361 . 1 . 1 80 80 LYS CA C 13 54.302 0.040 . 1 . . . . . 315 LYS CA . 51695 1 362 . 1 . 1 80 80 LYS CB C 13 32.466 0.000 . 1 . . . . . 315 LYS CB . 51695 1 363 . 1 . 1 80 80 LYS N N 15 124.400 0.006 . 1 . . . . . 315 LYS N . 51695 1 364 . 1 . 1 81 81 PRO C C 13 176.772 0.006 . 1 . . . . . 316 PRO C . 51695 1 365 . 1 . 1 81 81 PRO CA C 13 62.957 0.026 . 1 . . . . . 316 PRO CA . 51695 1 366 . 1 . 1 81 81 PRO CB C 13 32.158 0.037 . 1 . . . . . 316 PRO CB . 51695 1 367 . 1 . 1 82 82 THR H H 1 7.990 0.000 . 1 . . . . . 317 THR H . 51695 1 368 . 1 . 1 82 82 THR C C 13 174.122 0.008 . 1 . . . . . 317 THR C . 51695 1 369 . 1 . 1 82 82 THR CA C 13 61.948 0.021 . 1 . . . . . 317 THR CA . 51695 1 370 . 1 . 1 82 82 THR CB C 13 69.903 0.009 . 1 . . . . . 317 THR CB . 51695 1 371 . 1 . 1 82 82 THR N N 15 114.683 0.006 . 1 . . . . . 317 THR N . 51695 1 372 . 1 . 1 83 83 TYR H H 1 7.901 0.001 . 1 . . . . . 318 TYR H . 51695 1 373 . 1 . 1 83 83 TYR C C 13 174.901 0.008 . 1 . . . . . 318 TYR C . 51695 1 374 . 1 . 1 83 83 TYR CA C 13 57.709 0.040 . 1 . . . . . 318 TYR CA . 51695 1 375 . 1 . 1 83 83 TYR CB C 13 38.888 0.048 . 1 . . . . . 318 TYR CB . 51695 1 376 . 1 . 1 83 83 TYR N N 15 122.519 0.013 . 1 . . . . . 318 TYR N . 51695 1 377 . 1 . 1 84 84 LEU H H 1 7.738 0.001 . 1 . . . . . 319 LEU H . 51695 1 378 . 1 . 1 84 84 LEU C C 13 175.925 0.008 . 1 . . . . . 319 LEU C . 51695 1 379 . 1 . 1 84 84 LEU CA C 13 54.246 0.035 . 1 . . . . . 319 LEU CA . 51695 1 380 . 1 . 1 84 84 LEU CB C 13 42.718 0.022 . 1 . . . . . 319 LEU CB . 51695 1 381 . 1 . 1 84 84 LEU N N 15 124.907 0.012 . 1 . . . . . 319 LEU N . 51695 1 382 . 1 . 1 85 85 ASP H H 1 8.044 0.001 . 1 . . . . . 320 ASP H . 51695 1 383 . 1 . 1 85 85 ASP C C 13 174.795 0.000 . 1 . . . . . 320 ASP C . 51695 1 384 . 1 . 1 85 85 ASP CA C 13 52.194 0.046 . 1 . . . . . 320 ASP CA . 51695 1 385 . 1 . 1 85 85 ASP CB C 13 41.101 0.000 . 1 . . . . . 320 ASP CB . 51695 1 386 . 1 . 1 85 85 ASP N N 15 123.453 0.004 . 1 . . . . . 320 ASP N . 51695 1 387 . 1 . 1 86 86 PRO C C 13 176.968 0.000 . 1 . . . . . 321 PRO C . 51695 1 388 . 1 . 1 86 86 PRO CA C 13 63.563 0.016 . 1 . . . . . 321 PRO CA . 51695 1 389 . 1 . 1 86 86 PRO CB C 13 32.190 0.018 . 1 . . . . . 321 PRO CB . 51695 1 390 . 1 . 1 87 87 ASP H H 1 8.180 0.001 . 1 . . . . . 322 ASP H . 51695 1 391 . 1 . 1 87 87 ASP C C 13 176.737 0.009 . 1 . . . . . 322 ASP C . 51695 1 392 . 1 . 1 87 87 ASP CA C 13 54.635 0.046 . 1 . . . . . 322 ASP CA . 51695 1 393 . 1 . 1 87 87 ASP CB C 13 40.924 0.037 . 1 . . . . . 322 ASP CB . 51695 1 394 . 1 . 1 87 87 ASP N N 15 119.424 0.004 . 1 . . . . . 322 ASP N . 51695 1 395 . 1 . 1 88 88 THR H H 1 7.648 0.000 . 1 . . . . . 323 THR H . 51695 1 396 . 1 . 1 88 88 THR C C 13 174.598 0.001 . 1 . . . . . 323 THR C . 51695 1 397 . 1 . 1 88 88 THR CA C 13 62.298 0.016 . 1 . . . . . 323 THR CA . 51695 1 398 . 1 . 1 88 88 THR CB C 13 69.743 0.006 . 1 . . . . . 323 THR CB . 51695 1 399 . 1 . 1 88 88 THR N N 15 113.824 0.005 . 1 . . . . . 323 THR N . 51695 1 400 . 1 . 1 89 89 ASP H H 1 8.123 0.001 . 1 . . . . . 324 ASP H . 51695 1 401 . 1 . 1 89 89 ASP C C 13 176.747 0.009 . 1 . . . . . 324 ASP C . 51695 1 402 . 1 . 1 89 89 ASP CA C 13 54.669 0.046 . 1 . . . . . 324 ASP CA . 51695 1 403 . 1 . 1 89 89 ASP CB C 13 41.196 0.034 . 1 . . . . . 324 ASP CB . 51695 1 404 . 1 . 1 89 89 ASP N N 15 122.619 0.007 . 1 . . . . . 324 ASP N . 51695 1 405 . 1 . 1 90 90 SER H H 1 8.082 0.001 . 1 . . . . . 325 SER H . 51695 1 406 . 1 . 1 90 90 SER C C 13 175.501 0.007 . 1 . . . . . 325 SER C . 51695 1 407 . 1 . 1 90 90 SER CA C 13 59.170 0.021 . 1 . . . . . 325 SER CA . 51695 1 408 . 1 . 1 90 90 SER CB C 13 63.480 0.014 . 1 . . . . . 325 SER CB . 51695 1 409 . 1 . 1 90 90 SER N N 15 116.798 0.009 . 1 . . . . . 325 SER N . 51695 1 410 . 1 . 1 91 91 GLY H H 1 8.221 0.001 . 1 . . . . . 326 GLY H . 51695 1 411 . 1 . 1 91 91 GLY CA C 13 45.501 0.000 . 1 . . . . . 326 GLY CA . 51695 1 412 . 1 . 1 91 91 GLY N N 15 110.519 0.000 . 1 . . . . . 326 GLY N . 51695 1 413 . 1 . 1 92 92 ARG H H 1 7.785 0.001 . 1 . . . . . 327 ARG H . 51695 1 414 . 1 . 1 92 92 ARG C C 13 177.062 0.006 . 1 . . . . . 327 ARG C . 51695 1 415 . 1 . 1 92 92 ARG CA C 13 56.482 0.036 . 1 . . . . . 327 ARG CA . 51695 1 416 . 1 . 1 92 92 ARG CB C 13 30.669 0.030 . 1 . . . . . 327 ARG CB . 51695 1 417 . 1 . 1 92 92 ARG N N 15 120.181 0.003 . 1 . . . . . 327 ARG N . 51695 1 418 . 1 . 1 93 93 GLY H H 1 8.261 0.001 . 1 . . . . . 328 GLY H . 51695 1 419 . 1 . 1 93 93 GLY C C 13 174.233 0.005 . 1 . . . . . 328 GLY C . 51695 1 420 . 1 . 1 93 93 GLY CA C 13 45.185 0.045 . 1 . . . . . 328 GLY CA . 51695 1 421 . 1 . 1 93 93 GLY N N 15 109.775 0.006 . 1 . . . . . 328 GLY N . 51695 1 422 . 1 . 1 94 94 SER H H 1 8.020 0.001 . 1 . . . . . 329 SER H . 51695 1 423 . 1 . 1 94 94 SER C C 13 174.764 0.014 . 1 . . . . . 329 SER C . 51695 1 424 . 1 . 1 94 94 SER CA C 13 58.357 0.036 . 1 . . . . . 329 SER CA . 51695 1 425 . 1 . 1 94 94 SER CB C 13 63.817 0.009 . 1 . . . . . 329 SER CB . 51695 1 426 . 1 . 1 94 94 SER N N 15 115.505 0.007 . 1 . . . . . 329 SER N . 51695 1 427 . 1 . 1 95 95 CYS H H 1 8.219 0.000 . 1 . . . . . 330 CYS H . 51695 1 428 . 1 . 1 95 95 CYS C C 13 174.225 0.005 . 1 . . . . . 330 CYS C . 51695 1 429 . 1 . 1 95 95 CYS CA C 13 58.482 0.035 . 1 . . . . . 330 CYS CA . 51695 1 430 . 1 . 1 95 95 CYS CB C 13 28.084 0.025 . 1 . . . . . 330 CYS CB . 51695 1 431 . 1 . 1 95 95 CYS N N 15 120.585 0.011 . 1 . . . . . 330 CYS N . 51695 1 432 . 1 . 1 96 96 ASP H H 1 8.105 0.003 . 1 . . . . . 331 ASP H . 51695 1 433 . 1 . 1 96 96 ASP C C 13 175.859 0.003 . 1 . . . . . 331 ASP C . 51695 1 434 . 1 . 1 96 96 ASP CA C 13 54.415 0.046 . 1 . . . . . 331 ASP CA . 51695 1 435 . 1 . 1 96 96 ASP CB C 13 41.178 0.017 . 1 . . . . . 331 ASP CB . 51695 1 436 . 1 . 1 96 96 ASP N N 15 122.451 0.019 . 1 . . . . . 331 ASP N . 51695 1 437 . 1 . 1 97 97 SER H H 1 7.942 0.000 . 1 . . . . . 332 SER H . 51695 1 438 . 1 . 1 97 97 SER C C 13 172.647 0.000 . 1 . . . . . 332 SER C . 51695 1 439 . 1 . 1 97 97 SER CA C 13 56.427 0.002 . 1 . . . . . 332 SER CA . 51695 1 440 . 1 . 1 97 97 SER CB C 13 63.228 0.000 . 1 . . . . . 332 SER CB . 51695 1 441 . 1 . 1 97 97 SER N N 15 116.969 0.005 . 1 . . . . . 332 SER N . 51695 1 442 . 1 . 1 98 98 PRO C C 13 177.050 0.005 . 1 . . . . . 333 PRO C . 51695 1 443 . 1 . 1 98 98 PRO CA C 13 63.288 0.104 . 1 . . . . . 333 PRO CA . 51695 1 444 . 1 . 1 98 98 PRO CB C 13 32.120 0.047 . 1 . . . . . 333 PRO CB . 51695 1 445 . 1 . 1 99 99 SER H H 1 8.149 0.000 . 1 . . . . . 334 SER H . 51695 1 446 . 1 . 1 99 99 SER C C 13 174.769 0.009 . 1 . . . . . 334 SER C . 51695 1 447 . 1 . 1 99 99 SER CA C 13 58.404 0.029 . 1 . . . . . 334 SER CA . 51695 1 448 . 1 . 1 99 99 SER CB C 13 63.615 0.026 . 1 . . . . . 334 SER CB . 51695 1 449 . 1 . 1 99 99 SER N N 15 115.881 0.008 . 1 . . . . . 334 SER N . 51695 1 450 . 1 . 1 100 100 LEU H H 1 8.066 0.001 . 1 . . . . . 335 LEU H . 51695 1 451 . 1 . 1 100 100 LEU C C 13 177.495 0.011 . 1 . . . . . 335 LEU C . 51695 1 452 . 1 . 1 100 100 LEU CA C 13 55.279 0.032 . 1 . . . . . 335 LEU CA . 51695 1 453 . 1 . 1 100 100 LEU CB C 13 42.165 0.034 . 1 . . . . . 335 LEU CB . 51695 1 454 . 1 . 1 100 100 LEU N N 15 124.374 0.007 . 1 . . . . . 335 LEU N . 51695 1 455 . 1 . 1 101 101 LEU H H 1 7.931 0.001 . 1 . . . . . 336 LEU H . 51695 1 456 . 1 . 1 101 101 LEU C C 13 177.412 0.051 . 1 . . . . . 336 LEU C . 51695 1 457 . 1 . 1 101 101 LEU CA C 13 55.199 0.033 . 1 . . . . . 336 LEU CA . 51695 1 458 . 1 . 1 101 101 LEU CB C 13 42.165 0.054 . 1 . . . . . 336 LEU CB . 51695 1 459 . 1 . 1 101 101 LEU N N 15 122.302 0.029 . 1 . . . . . 336 LEU N . 51695 1 460 . 1 . 1 102 102 SER H H 1 7.946 0.000 . 1 . . . . . 337 SER H . 51695 1 461 . 1 . 1 102 102 SER C C 13 174.523 0.025 . 1 . . . . . 337 SER C . 51695 1 462 . 1 . 1 102 102 SER CA C 13 58.375 0.051 . 1 . . . . . 337 SER CA . 51695 1 463 . 1 . 1 102 102 SER CB C 13 63.697 0.010 . 1 . . . . . 337 SER CB . 51695 1 464 . 1 . 1 102 102 SER N N 15 116.287 0.031 . 1 . . . . . 337 SER N . 51695 1 465 . 1 . 1 103 103 GLU H H 1 8.132 0.001 . 1 . . . . . 338 GLU H . 51695 1 466 . 1 . 1 103 103 GLU C C 13 176.309 0.012 . 1 . . . . . 338 GLU C . 51695 1 467 . 1 . 1 103 103 GLU CA C 13 56.515 0.028 . 1 . . . . . 338 GLU CA . 51695 1 468 . 1 . 1 103 103 GLU CB C 13 30.310 0.029 . 1 . . . . . 338 GLU CB . 51695 1 469 . 1 . 1 103 103 GLU N N 15 122.769 0.014 . 1 . . . . . 338 GLU N . 51695 1 470 . 1 . 1 104 104 LYS H H 1 8.085 0.001 . 1 . . . . . 339 LYS H . 51695 1 471 . 1 . 1 104 104 LYS C C 13 176.272 0.006 . 1 . . . . . 339 LYS C . 51695 1 472 . 1 . 1 104 104 LYS CA C 13 56.191 0.033 . 1 . . . . . 339 LYS CA . 51695 1 473 . 1 . 1 104 104 LYS CB C 13 33.007 0.033 . 1 . . . . . 339 LYS CB . 51695 1 474 . 1 . 1 104 104 LYS N N 15 122.467 0.011 . 1 . . . . . 339 LYS N . 51695 1 475 . 1 . 1 105 105 CYS H H 1 8.234 0.000 . 1 . . . . . 340 CYS H . 51695 1 476 . 1 . 1 105 105 CYS C C 13 174.405 0.010 . 1 . . . . . 340 CYS C . 51695 1 477 . 1 . 1 105 105 CYS CA C 13 58.352 0.030 . 1 . . . . . 340 CYS CA . 51695 1 478 . 1 . 1 105 105 CYS CB C 13 28.150 0.023 . 1 . . . . . 340 CYS CB . 51695 1 479 . 1 . 1 105 105 CYS N N 15 121.761 0.005 . 1 . . . . . 340 CYS N . 51695 1 480 . 1 . 1 106 106 GLU H H 1 8.336 0.000 . 1 . . . . . 341 GLU H . 51695 1 481 . 1 . 1 106 106 GLU C C 13 176.120 0.008 . 1 . . . . . 341 GLU C . 51695 1 482 . 1 . 1 106 106 GLU CA C 13 56.224 0.042 . 1 . . . . . 341 GLU CA . 51695 1 483 . 1 . 1 106 106 GLU CB C 13 30.464 0.034 . 1 . . . . . 341 GLU CB . 51695 1 484 . 1 . 1 106 106 GLU N N 15 123.773 0.007 . 1 . . . . . 341 GLU N . 51695 1 485 . 1 . 1 107 107 GLU H H 1 8.228 0.001 . 1 . . . . . 342 GLU H . 51695 1 486 . 1 . 1 107 107 GLU C C 13 174.448 0.000 . 1 . . . . . 342 GLU C . 51695 1 487 . 1 . 1 107 107 GLU CA C 13 54.316 0.036 . 1 . . . . . 342 GLU CA . 51695 1 488 . 1 . 1 107 107 GLU CB C 13 29.657 0.000 . 1 . . . . . 342 GLU CB . 51695 1 489 . 1 . 1 107 107 GLU N N 15 123.779 0.010 . 1 . . . . . 342 GLU N . 51695 1 490 . 1 . 1 108 108 PRO C C 13 176.868 0.007 . 1 . . . . . 343 PRO C . 51695 1 491 . 1 . 1 108 108 PRO CA C 13 63.068 0.027 . 1 . . . . . 343 PRO CA . 51695 1 492 . 1 . 1 108 108 PRO CB C 13 32.093 0.046 . 1 . . . . . 343 PRO CB . 51695 1 493 . 1 . 1 109 109 GLN H H 1 8.292 0.001 . 1 . . . . . 344 GLN H . 51695 1 494 . 1 . 1 109 109 GLN C C 13 175.703 0.008 . 1 . . . . . 344 GLN C . 51695 1 495 . 1 . 1 109 109 GLN CA C 13 55.421 0.040 . 1 . . . . . 344 GLN CA . 51695 1 496 . 1 . 1 109 109 GLN CB C 13 29.631 0.034 . 1 . . . . . 344 GLN CB . 51695 1 497 . 1 . 1 109 109 GLN N N 15 120.816 0.009 . 1 . . . . . 344 GLN N . 51695 1 498 . 1 . 1 110 110 ALA H H 1 8.179 0.000 . 1 . . . . . 345 ALA H . 51695 1 499 . 1 . 1 110 110 ALA C C 13 177.197 0.006 . 1 . . . . . 345 ALA C . 51695 1 500 . 1 . 1 110 110 ALA CA C 13 52.356 0.041 . 1 . . . . . 345 ALA CA . 51695 1 501 . 1 . 1 110 110 ALA CB C 13 19.308 0.025 . 1 . . . . . 345 ALA CB . 51695 1 502 . 1 . 1 110 110 ALA N N 15 125.778 0.003 . 1 . . . . . 345 ALA N . 51695 1 503 . 1 . 1 111 111 ASN H H 1 8.286 0.001 . 1 . . . . . 346 ASN H . 51695 1 504 . 1 . 1 111 111 ASN C C 13 173.349 0.000 . 1 . . . . . 346 ASN C . 51695 1 505 . 1 . 1 111 111 ASN CA C 13 51.269 0.063 . 1 . . . . . 346 ASN CA . 51695 1 506 . 1 . 1 111 111 ASN CB C 13 38.720 0.000 . 1 . . . . . 346 ASN CB . 51695 1 507 . 1 . 1 111 111 ASN N N 15 119.201 0.005 . 1 . . . . . 346 ASN N . 51695 1 508 . 1 . 1 112 112 PRO C C 13 177.072 0.006 . 1 . . . . . 347 PRO C . 51695 1 509 . 1 . 1 112 112 PRO CA C 13 63.268 0.090 . 1 . . . . . 347 PRO CA . 51695 1 510 . 1 . 1 112 112 PRO CB C 13 32.192 0.000 . 1 . . . . . 347 PRO CB . 51695 1 511 . 1 . 1 113 113 SER H H 1 8.231 0.001 . 1 . . . . . 348 SER H . 51695 1 512 . 1 . 1 113 113 SER C C 13 174.805 0.007 . 1 . . . . . 348 SER C . 51695 1 513 . 1 . 1 113 113 SER CA C 13 58.735 0.019 . 1 . . . . . 348 SER CA . 51695 1 514 . 1 . 1 113 113 SER CB C 13 63.602 0.030 . 1 . . . . . 348 SER CB . 51695 1 515 . 1 . 1 113 113 SER N N 15 115.805 0.005 . 1 . . . . . 348 SER N . 51695 1 516 . 1 . 1 114 114 THR H H 1 7.746 0.001 . 1 . . . . . 349 THR H . 51695 1 517 . 1 . 1 114 114 THR C C 13 173.913 0.008 . 1 . . . . . 349 THR C . 51695 1 518 . 1 . 1 114 114 THR CA C 13 61.856 0.022 . 1 . . . . . 349 THR CA . 51695 1 519 . 1 . 1 114 114 THR CB C 13 69.716 0.004 . 1 . . . . . 349 THR CB . 51695 1 520 . 1 . 1 114 114 THR N N 15 115.421 0.005 . 1 . . . . . 349 THR N . 51695 1 521 . 1 . 1 115 115 PHE H H 1 7.857 0.001 . 1 . . . . . 350 PHE H . 51695 1 522 . 1 . 1 115 115 PHE C C 13 174.753 0.013 . 1 . . . . . 350 PHE C . 51695 1 523 . 1 . 1 115 115 PHE CA C 13 57.837 0.032 . 1 . . . . . 350 PHE CA . 51695 1 524 . 1 . 1 115 115 PHE CB C 13 39.771 0.027 . 1 . . . . . 350 PHE CB . 51695 1 525 . 1 . 1 115 115 PHE N N 15 122.679 0.017 . 1 . . . . . 350 PHE N . 51695 1 526 . 1 . 1 116 116 TYR H H 1 7.732 0.001 . 1 . . . . . 351 TYR H . 51695 1 527 . 1 . 1 116 116 TYR C C 13 174.020 0.007 . 1 . . . . . 351 TYR C . 51695 1 528 . 1 . 1 116 116 TYR CA C 13 57.264 0.025 . 1 . . . . . 351 TYR CA . 51695 1 529 . 1 . 1 116 116 TYR CB C 13 39.151 0.028 . 1 . . . . . 351 TYR CB . 51695 1 530 . 1 . 1 116 116 TYR N N 15 122.825 0.011 . 1 . . . . . 351 TYR N . 51695 1 531 . 1 . 1 117 117 ASP H H 1 7.911 0.001 . 1 . . . . . 352 ASP H . 51695 1 532 . 1 . 1 117 117 ASP C C 13 174.167 0.000 . 1 . . . . . 352 ASP C . 51695 1 533 . 1 . 1 117 117 ASP CA C 13 51.536 0.053 . 1 . . . . . 352 ASP CA . 51695 1 534 . 1 . 1 117 117 ASP CB C 13 41.406 0.000 . 1 . . . . . 352 ASP CB . 51695 1 535 . 1 . 1 117 117 ASP N N 15 124.898 0.004 . 1 . . . . . 352 ASP N . 51695 1 536 . 1 . 1 118 118 PRO C C 13 177.014 0.008 . 1 . . . . . 353 PRO C . 51695 1 537 . 1 . 1 118 118 PRO CA C 13 63.174 0.022 . 1 . . . . . 353 PRO CA . 51695 1 538 . 1 . 1 118 118 PRO CB C 13 32.193 0.034 . 1 . . . . . 353 PRO CB . 51695 1 539 . 1 . 1 119 119 GLU H H 1 8.099 0.000 . 1 . . . . . 354 GLU H . 51695 1 540 . 1 . 1 119 119 GLU C C 13 176.563 0.008 . 1 . . . . . 354 GLU C . 51695 1 541 . 1 . 1 119 119 GLU CA C 13 56.662 0.039 . 1 . . . . . 354 GLU CA . 51695 1 542 . 1 . 1 119 119 GLU CB C 13 29.990 0.046 . 1 . . . . . 354 GLU CB . 51695 1 543 . 1 . 1 119 119 GLU N N 15 119.606 0.005 . 1 . . . . . 354 GLU N . 51695 1 544 . 1 . 1 120 120 VAL H H 1 7.704 0.001 . 1 . . . . . 355 VAL H . 51695 1 545 . 1 . 1 120 120 VAL C C 13 175.776 0.009 . 1 . . . . . 355 VAL C . 51695 1 546 . 1 . 1 120 120 VAL CA C 13 62.371 0.024 . 1 . . . . . 355 VAL CA . 51695 1 547 . 1 . 1 120 120 VAL CB C 13 32.563 0.054 . 1 . . . . . 355 VAL CB . 51695 1 548 . 1 . 1 120 120 VAL N N 15 121.678 0.007 . 1 . . . . . 355 VAL N . 51695 1 549 . 1 . 1 121 121 ILE H H 1 7.934 0.001 . 1 . . . . . 356 ILE H . 51695 1 550 . 1 . 1 121 121 ILE C C 13 176.079 0.006 . 1 . . . . . 356 ILE C . 51695 1 551 . 1 . 1 121 121 ILE CA C 13 60.657 0.023 . 1 . . . . . 356 ILE CA . 51695 1 552 . 1 . 1 121 121 ILE CB C 13 38.665 0.022 . 1 . . . . . 356 ILE CB . 51695 1 553 . 1 . 1 121 121 ILE N N 15 125.708 0.010 . 1 . . . . . 356 ILE N . 51695 1 554 . 1 . 1 122 122 GLU H H 1 8.238 0.001 . 1 . . . . . 357 GLU H . 51695 1 555 . 1 . 1 122 122 GLU C C 13 175.840 0.009 . 1 . . . . . 357 GLU C . 51695 1 556 . 1 . 1 122 122 GLU CA C 13 56.317 0.037 . 1 . . . . . 357 GLU CA . 51695 1 557 . 1 . 1 122 122 GLU CB C 13 30.299 0.026 . 1 . . . . . 357 GLU CB . 51695 1 558 . 1 . 1 122 122 GLU N N 15 125.909 0.012 . 1 . . . . . 357 GLU N . 51695 1 559 . 1 . 1 123 123 LYS H H 1 8.205 0.001 . 1 . . . . . 358 LYS H . 51695 1 560 . 1 . 1 123 123 LYS C C 13 174.245 0.000 . 1 . . . . . 358 LYS C . 51695 1 561 . 1 . 1 123 123 LYS CA C 13 54.080 0.000 . 1 . . . . . 358 LYS CA . 51695 1 562 . 1 . 1 123 123 LYS CB C 13 32.543 0.000 . 1 . . . . . 358 LYS CB . 51695 1 563 . 1 . 1 123 123 LYS N N 15 124.338 0.010 . 1 . . . . . 358 LYS N . 51695 1 564 . 1 . 1 124 124 PRO C C 13 176.807 0.007 . 1 . . . . . 359 PRO C . 51695 1 565 . 1 . 1 124 124 PRO CA C 13 62.823 0.033 . 1 . . . . . 359 PRO CA . 51695 1 566 . 1 . 1 124 124 PRO CB C 13 32.124 0.052 . 1 . . . . . 359 PRO CB . 51695 1 567 . 1 . 1 125 125 GLU H H 1 8.321 0.000 . 1 . . . . . 360 GLU H . 51695 1 568 . 1 . 1 125 125 GLU C C 13 176.001 0.011 . 1 . . . . . 360 GLU C . 51695 1 569 . 1 . 1 125 125 GLU CA C 13 56.492 0.047 . 1 . . . . . 360 GLU CA . 51695 1 570 . 1 . 1 125 125 GLU CB C 13 30.383 0.042 . 1 . . . . . 360 GLU CB . 51695 1 571 . 1 . 1 125 125 GLU N N 15 121.303 0.008 . 1 . . . . . 360 GLU N . 51695 1 572 . 1 . 1 126 126 ASN H H 1 8.295 0.001 . 1 . . . . . 361 ASN H . 51695 1 573 . 1 . 1 126 126 ASN C C 13 173.453 0.000 . 1 . . . . . 361 ASN C . 51695 1 574 . 1 . 1 126 126 ASN CA C 13 51.188 0.059 . 1 . . . . . 361 ASN CA . 51695 1 575 . 1 . 1 126 126 ASN CB C 13 38.885 0.000 . 1 . . . . . 361 ASN CB . 51695 1 576 . 1 . 1 126 126 ASN N N 15 120.489 0.016 . 1 . . . . . 361 ASN N . 51695 1 577 . 1 . 1 127 127 PRO C C 13 177.035 0.003 . 1 . . . . . 362 PRO C . 51695 1 578 . 1 . 1 127 127 PRO CA C 13 63.444 0.023 . 1 . . . . . 362 PRO CA . 51695 1 579 . 1 . 1 127 127 PRO CB C 13 32.141 0.041 . 1 . . . . . 362 PRO CB . 51695 1 580 . 1 . 1 128 128 GLU H H 1 8.222 0.001 . 1 . . . . . 363 GLU H . 51695 1 581 . 1 . 1 128 128 GLU C C 13 176.924 0.006 . 1 . . . . . 363 GLU C . 51695 1 582 . 1 . 1 128 128 GLU CA C 13 56.806 0.026 . 1 . . . . . 363 GLU CA . 51695 1 583 . 1 . 1 128 128 GLU CB C 13 30.001 0.053 . 1 . . . . . 363 GLU CB . 51695 1 584 . 1 . 1 128 128 GLU N N 15 119.833 0.009 . 1 . . . . . 363 GLU N . 51695 1 585 . 1 . 1 129 129 THR H H 1 7.852 0.001 . 1 . . . . . 364 THR H . 51695 1 586 . 1 . 1 129 129 THR C C 13 174.573 0.007 . 1 . . . . . 364 THR C . 51695 1 587 . 1 . 1 129 129 THR CA C 13 61.935 0.033 . 1 . . . . . 364 THR CA . 51695 1 588 . 1 . 1 129 129 THR CB C 13 69.625 0.021 . 1 . . . . . 364 THR CB . 51695 1 589 . 1 . 1 129 129 THR N N 15 114.703 0.005 . 1 . . . . . 364 THR N . 51695 1 590 . 1 . 1 130 130 THR H H 1 7.790 0.001 . 1 . . . . . 365 THR H . 51695 1 591 . 1 . 1 130 130 THR C C 13 174.082 0.009 . 1 . . . . . 365 THR C . 51695 1 592 . 1 . 1 130 130 THR CA C 13 61.678 0.016 . 1 . . . . . 365 THR CA . 51695 1 593 . 1 . 1 130 130 THR CB C 13 69.777 0.062 . 1 . . . . . 365 THR CB . 51695 1 594 . 1 . 1 130 130 THR N N 15 116.319 0.009 . 1 . . . . . 365 THR N . 51695 1 595 . 1 . 1 131 131 HIS H H 1 8.172 0.002 . 1 . . . . . 366 HIS H . 51695 1 596 . 1 . 1 131 131 HIS C C 13 174.875 0.008 . 1 . . . . . 366 HIS C . 51695 1 597 . 1 . 1 131 131 HIS CA C 13 55.409 0.055 . 1 . . . . . 366 HIS CA . 51695 1 598 . 1 . 1 131 131 HIS CB C 13 29.877 0.029 . 1 . . . . . 366 HIS CB . 51695 1 599 . 1 . 1 131 131 HIS N N 15 121.391 0.046 . 1 . . . . . 366 HIS N . 51695 1 600 . 1 . 1 132 132 THR H H 1 7.894 0.002 . 1 . . . . . 367 THR H . 51695 1 601 . 1 . 1 132 132 THR C C 13 173.831 0.007 . 1 . . . . . 367 THR C . 51695 1 602 . 1 . 1 132 132 THR CA C 13 62.101 0.020 . 1 . . . . . 367 THR CA . 51695 1 603 . 1 . 1 132 132 THR CB C 13 69.665 0.023 . 1 . . . . . 367 THR CB . 51695 1 604 . 1 . 1 132 132 THR N N 15 116.059 0.018 . 1 . . . . . 367 THR N . 51695 1 605 . 1 . 1 133 133 TRP H H 1 7.868 0.001 . 1 . . . . . 368 TRP H . 51695 1 606 . 1 . 1 133 133 TRP C C 13 175.047 0.009 . 1 . . . . . 368 TRP C . 51695 1 607 . 1 . 1 133 133 TRP CA C 13 56.953 0.041 . 1 . . . . . 368 TRP CA . 51695 1 608 . 1 . 1 133 133 TRP CB C 13 29.599 0.039 . 1 . . . . . 368 TRP CB . 51695 1 609 . 1 . 1 133 133 TRP N N 15 123.147 0.029 . 1 . . . . . 368 TRP N . 51695 1 610 . 1 . 1 134 134 ASP H H 1 7.788 0.001 . 1 . . . . . 369 ASP H . 51695 1 611 . 1 . 1 134 134 ASP C C 13 174.381 0.000 . 1 . . . . . 369 ASP C . 51695 1 612 . 1 . 1 134 134 ASP CA C 13 51.611 0.054 . 1 . . . . . 369 ASP CA . 51695 1 613 . 1 . 1 134 134 ASP CB C 13 41.444 0.000 . 1 . . . . . 369 ASP CB . 51695 1 614 . 1 . 1 134 134 ASP N N 15 124.528 0.004 . 1 . . . . . 369 ASP N . 51695 1 615 . 1 . 1 135 135 PRO C C 13 177.420 0.004 . 1 . . . . . 370 PRO C . 51695 1 616 . 1 . 1 135 135 PRO CA C 13 63.567 0.076 . 1 . . . . . 370 PRO CA . 51695 1 617 . 1 . 1 135 135 PRO CB C 13 32.109 0.058 . 1 . . . . . 370 PRO CB . 51695 1 618 . 1 . 1 136 136 GLN H H 1 8.122 0.001 . 1 . . . . . 371 GLN H . 51695 1 619 . 1 . 1 136 136 GLN C C 13 176.175 0.012 . 1 . . . . . 371 GLN C . 51695 1 620 . 1 . 1 136 136 GLN CA C 13 56.087 0.042 . 1 . . . . . 371 GLN CA . 51695 1 621 . 1 . 1 136 136 GLN CB C 13 29.014 0.024 . 1 . . . . . 371 GLN CB . 51695 1 622 . 1 . 1 136 136 GLN N N 15 117.727 0.019 . 1 . . . . . 371 GLN N . 51695 1 623 . 1 . 1 137 137 CYS H H 1 7.760 0.001 . 1 . . . . . 372 CYS H . 51695 1 624 . 1 . 1 137 137 CYS C C 13 174.687 0.029 . 1 . . . . . 372 CYS C . 51695 1 625 . 1 . 1 137 137 CYS CA C 13 58.883 0.038 . 1 . . . . . 372 CYS CA . 51695 1 626 . 1 . 1 137 137 CYS CB C 13 27.717 0.020 . 1 . . . . . 372 CYS CB . 51695 1 627 . 1 . 1 137 137 CYS N N 15 119.441 0.009 . 1 . . . . . 372 CYS N . 51695 1 628 . 1 . 1 138 138 ILE H H 1 7.866 0.001 . 1 . . . . . 373 ILE H . 51695 1 629 . 1 . 1 138 138 ILE C C 13 176.255 0.010 . 1 . . . . . 373 ILE C . 51695 1 630 . 1 . 1 138 138 ILE CA C 13 61.405 0.029 . 1 . . . . . 373 ILE CA . 51695 1 631 . 1 . 1 138 138 ILE CB C 13 38.706 0.023 . 1 . . . . . 373 ILE CB . 51695 1 632 . 1 . 1 138 138 ILE N N 15 122.785 0.013 . 1 . . . . . 373 ILE N . 51695 1 633 . 1 . 1 139 139 SER H H 1 8.088 0.001 . 1 . . . . . 374 SER H . 51695 1 634 . 1 . 1 139 139 SER C C 13 174.816 0.004 . 1 . . . . . 374 SER C . 51695 1 635 . 1 . 1 139 139 SER CA C 13 58.130 0.005 . 1 . . . . . 374 SER CA . 51695 1 636 . 1 . 1 139 139 SER CB C 13 63.713 0.009 . 1 . . . . . 374 SER CB . 51695 1 637 . 1 . 1 139 139 SER N N 15 119.094 0.019 . 1 . . . . . 374 SER N . 51695 1 638 . 1 . 1 140 140 MET H H 1 8.228 0.001 . 1 . . . . . 375 MET H . 51695 1 639 . 1 . 1 140 140 MET C C 13 176.424 0.003 . 1 . . . . . 375 MET C . 51695 1 640 . 1 . 1 140 140 MET CA C 13 55.305 0.040 . 1 . . . . . 375 MET CA . 51695 1 641 . 1 . 1 140 140 MET CB C 13 32.578 0.027 . 1 . . . . . 375 MET CB . 51695 1 642 . 1 . 1 140 140 MET N N 15 122.644 0.003 . 1 . . . . . 375 MET N . 51695 1 643 . 1 . 1 141 141 GLU H H 1 8.075 0.001 . 1 . . . . . 376 GLU H . 51695 1 644 . 1 . 1 141 141 GLU C C 13 177.029 0.020 . 1 . . . . . 376 GLU C . 51695 1 645 . 1 . 1 141 141 GLU CA C 13 57.116 0.043 . 1 . . . . . 376 GLU CA . 51695 1 646 . 1 . 1 141 141 GLU CB C 13 29.822 0.017 . 1 . . . . . 376 GLU CB . 51695 1 647 . 1 . 1 141 141 GLU N N 15 121.304 0.012 . 1 . . . . . 376 GLU N . 51695 1 648 . 1 . 1 142 142 GLY H H 1 8.212 0.000 . 1 . . . . . 377 GLY H . 51695 1 649 . 1 . 1 142 142 GLY CA C 13 45.353 0.000 . 1 . . . . . 377 GLY CA . 51695 1 650 . 1 . 1 142 142 GLY N N 15 110.246 0.000 . 1 . . . . . 377 GLY N . 51695 1 651 . 1 . 1 143 143 LYS H H 1 7.748 0.001 . 1 . . . . . 378 LYS H . 51695 1 652 . 1 . 1 143 143 LYS C C 13 176.331 0.007 . 1 . . . . . 378 LYS C . 51695 1 653 . 1 . 1 143 143 LYS CA C 13 55.916 0.043 . 1 . . . . . 378 LYS CA . 51695 1 654 . 1 . 1 143 143 LYS CB C 13 33.162 0.020 . 1 . . . . . 378 LYS CB . 51695 1 655 . 1 . 1 143 143 LYS N N 15 120.053 0.005 . 1 . . . . . 378 LYS N . 51695 1 656 . 1 . 1 144 144 ILE H H 1 7.916 0.001 . 1 . . . . . 379 ILE H . 51695 1 657 . 1 . 1 144 144 ILE C C 13 174.501 0.000 . 1 . . . . . 379 ILE C . 51695 1 658 . 1 . 1 144 144 ILE CA C 13 58.630 0.040 . 1 . . . . . 379 ILE CA . 51695 1 659 . 1 . 1 144 144 ILE CB C 13 38.597 0.000 . 1 . . . . . 379 ILE CB . 51695 1 660 . 1 . 1 144 144 ILE N N 15 123.327 0.019 . 1 . . . . . 379 ILE N . 51695 1 661 . 1 . 1 145 145 PRO C C 13 176.101 0.015 . 1 . . . . . 380 PRO C . 51695 1 662 . 1 . 1 145 145 PRO CA C 13 63.067 0.028 . 1 . . . . . 380 PRO CA . 51695 1 663 . 1 . 1 145 145 PRO CB C 13 32.079 0.000 . 1 . . . . . 380 PRO CB . 51695 1 664 . 1 . 1 146 146 TYR H H 1 7.856 0.001 . 1 . . . . . 381 TYR H . 51695 1 665 . 1 . 1 146 146 TYR C C 13 175.047 0.007 . 1 . . . . . 381 TYR C . 51695 1 666 . 1 . 1 146 146 TYR CA C 13 57.975 0.043 . 1 . . . . . 381 TYR CA . 51695 1 667 . 1 . 1 146 146 TYR CB C 13 39.002 0.026 . 1 . . . . . 381 TYR CB . 51695 1 668 . 1 . 1 146 146 TYR N N 15 120.349 0.010 . 1 . . . . . 381 TYR N . 51695 1 669 . 1 . 1 147 147 PHE H H 1 7.698 0.001 . 1 . . . . . 382 PHE H . 51695 1 670 . 1 . 1 147 147 PHE C C 13 174.573 0.007 . 1 . . . . . 382 PHE C . 51695 1 671 . 1 . 1 147 147 PHE CA C 13 57.310 0.032 . 1 . . . . . 382 PHE CA . 51695 1 672 . 1 . 1 147 147 PHE CB C 13 39.990 0.029 . 1 . . . . . 382 PHE CB . 51695 1 673 . 1 . 1 147 147 PHE N N 15 122.676 0.010 . 1 . . . . . 382 PHE N . 51695 1 674 . 1 . 1 148 148 HIS H H 1 7.852 0.002 . 1 . . . . . 383 HIS H . 51695 1 675 . 1 . 1 148 148 HIS C C 13 174.452 0.009 . 1 . . . . . 383 HIS C . 51695 1 676 . 1 . 1 148 148 HIS CA C 13 55.734 0.046 . 1 . . . . . 383 HIS CA . 51695 1 677 . 1 . 1 148 148 HIS CB C 13 30.700 0.024 . 1 . . . . . 383 HIS CB . 51695 1 678 . 1 . 1 148 148 HIS N N 15 122.481 0.014 . 1 . . . . . 383 HIS N . 51695 1 679 . 1 . 1 149 149 ALA H H 1 8.021 0.001 . 1 . . . . . 384 ALA H . 51695 1 680 . 1 . 1 149 149 ALA C C 13 178.097 0.008 . 1 . . . . . 384 ALA C . 51695 1 681 . 1 . 1 149 149 ALA CA C 13 52.732 0.049 . 1 . . . . . 384 ALA CA . 51695 1 682 . 1 . 1 149 149 ALA CB C 13 19.026 0.049 . 1 . . . . . 384 ALA CB . 51695 1 683 . 1 . 1 149 149 ALA N N 15 126.275 0.017 . 1 . . . . . 384 ALA N . 51695 1 684 . 1 . 1 150 150 GLY H H 1 8.131 0.001 . 1 . . . . . 385 GLY H . 51695 1 685 . 1 . 1 150 150 GLY C C 13 174.728 0.007 . 1 . . . . . 385 GLY C . 51695 1 686 . 1 . 1 150 150 GLY CA C 13 45.352 0.041 . 1 . . . . . 385 GLY CA . 51695 1 687 . 1 . 1 150 150 GLY N N 15 108.375 0.008 . 1 . . . . . 385 GLY N . 51695 1 688 . 1 . 1 151 151 GLY H H 1 7.962 0.002 . 1 . . . . . 386 GLY H . 51695 1 689 . 1 . 1 151 151 GLY C C 13 174.224 0.011 . 1 . . . . . 386 GLY C . 51695 1 690 . 1 . 1 151 151 GLY CA C 13 45.129 0.002 . 1 . . . . . 386 GLY CA . 51695 1 691 . 1 . 1 151 151 GLY N N 15 108.501 0.006 . 1 . . . . . 386 GLY N . 51695 1 692 . 1 . 1 152 152 SER H H 1 8.013 0.000 . 1 . . . . . 387 SER H . 51695 1 693 . 1 . 1 152 152 SER C C 13 174.746 0.000 . 1 . . . . . 387 SER C . 51695 1 694 . 1 . 1 152 152 SER CA C 13 58.392 0.000 . 1 . . . . . 387 SER CA . 51695 1 695 . 1 . 1 152 152 SER CB C 13 63.833 0.000 . 1 . . . . . 387 SER CB . 51695 1 696 . 1 . 1 152 152 SER N N 15 115.500 0.000 . 1 . . . . . 387 SER N . 51695 1 697 . 1 . 1 155 155 SER C C 13 174.324 0.009 . 1 . . . . . 390 SER C . 51695 1 698 . 1 . 1 155 155 SER CA C 13 58.586 0.012 . 1 . . . . . 390 SER CA . 51695 1 699 . 1 . 1 155 155 SER CB C 13 63.659 0.008 . 1 . . . . . 390 SER CB . 51695 1 700 . 1 . 1 156 156 THR H H 1 7.698 0.001 . 1 . . . . . 391 THR H . 51695 1 701 . 1 . 1 156 156 THR C C 13 173.686 0.010 . 1 . . . . . 391 THR C . 51695 1 702 . 1 . 1 156 156 THR CA C 13 61.565 0.020 . 1 . . . . . 391 THR CA . 51695 1 703 . 1 . 1 156 156 THR CB C 13 69.751 0.013 . 1 . . . . . 391 THR CB . 51695 1 704 . 1 . 1 156 156 THR N N 15 115.273 0.011 . 1 . . . . . 391 THR N . 51695 1 705 . 1 . 1 157 157 TRP H H 1 7.857 0.000 . 1 . . . . . 392 TRP H . 51695 1 706 . 1 . 1 157 157 TRP C C 13 174.135 0.000 . 1 . . . . . 392 TRP C . 51695 1 707 . 1 . 1 157 157 TRP CA C 13 54.870 0.042 . 1 . . . . . 392 TRP CA . 51695 1 708 . 1 . 1 157 157 TRP CB C 13 29.179 0.000 . 1 . . . . . 392 TRP CB . 51695 1 709 . 1 . 1 157 157 TRP N N 15 124.625 0.005 . 1 . . . . . 392 TRP N . 51695 1 710 . 1 . 1 158 158 PRO C C 13 176.432 0.005 . 1 . . . . . 393 PRO C . 51695 1 711 . 1 . 1 158 158 PRO CA C 13 62.840 0.037 . 1 . . . . . 393 PRO CA . 51695 1 712 . 1 . 1 158 158 PRO CB C 13 31.999 0.041 . 1 . . . . . 393 PRO CB . 51695 1 713 . 1 . 1 159 159 LEU H H 1 7.988 0.001 . 1 . . . . . 394 LEU H . 51695 1 714 . 1 . 1 159 159 LEU C C 13 175.470 0.000 . 1 . . . . . 394 LEU C . 51695 1 715 . 1 . 1 159 159 LEU CA C 13 53.021 0.043 . 1 . . . . . 394 LEU CA . 51695 1 716 . 1 . 1 159 159 LEU CB C 13 41.613 0.000 . 1 . . . . . 394 LEU CB . 51695 1 717 . 1 . 1 159 159 LEU N N 15 123.481 0.006 . 1 . . . . . 394 LEU N . 51695 1 718 . 1 . 1 160 160 PRO C C 13 176.125 0.006 . 1 . . . . . 395 PRO C . 51695 1 719 . 1 . 1 160 160 PRO CA C 13 63.248 0.027 . 1 . . . . . 395 PRO CA . 51695 1 720 . 1 . 1 160 160 PRO CB C 13 31.901 0.021 . 1 . . . . . 395 PRO CB . 51695 1 721 . 1 . 1 161 161 GLN H H 1 7.814 0.001 . 1 . . . . . 396 GLN H . 51695 1 722 . 1 . 1 161 161 GLN C C 13 180.745 0.000 . 1 . . . . . 396 GLN C . 51695 1 723 . 1 . 1 161 161 GLN CA C 13 57.199 0.032 . 1 . . . . . 396 GLN CA . 51695 1 724 . 1 . 1 161 161 GLN CB C 13 30.710 0.000 . 1 . . . . . 396 GLN CB . 51695 1 725 . 1 . 1 161 161 GLN N N 15 125.733 0.005 . 1 . . . . . 396 GLN N . 51695 1 stop_ save_