data_50002 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50002 _Entry.Title ; Pof8 RNA recognition motif 2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-08-18 _Entry.Accession_date 2019-08-18 _Entry.Last_release_date 2019-08-22 _Entry.Original_release_date 2019-08-22 _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 . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'NMR chemical shift assignments for the S. pombe Pof8 C-terminal RRM2 domain (residues 282-402).' _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 Catherine Eichhorn . D. . 0000-0001-8624-1961 50002 2 Juli Feigon . . . 0000-0003-3376-435X 50002 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50002 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 276 50002 '15N chemical shifts' 106 50002 '1H chemical shifts' 131 50002 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 . . 2021-08-13 . original BMRB . 50002 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6TZN 'X-ray crystal structure of same domain' 50002 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50002 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33131423 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structure of S. pombe telomerase protein Pof8 C-terminal domain is an xRRM conserved among LARP7 proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'RNA Biol.' _Citation.Journal_name_full 'RNA biology' _Citation.Journal_volume 18 _Citation.Journal_issue 8 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1555-8584 _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 1181 _Citation.Page_last 1192 _Citation.Year 2021 _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 Ritwika Basu R. . . . 50002 1 2 Catherine Eichhorn C. D. . . 50002 1 3 Ryan Cheng R. . . . 50002 1 4 Robert Peterson R. D. . . 50002 1 5 Juli Feigon J. . . . 50002 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'La protein' 50002 1 'RNA-binding protein' 50002 1 RNP 50002 1 telomerase 50002 1 xRRM 50002 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50002 _Assembly.ID 1 _Assembly.Name 'Pof8 C-terminal xRRM' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 'Pof8 C-terminal xRRM' 1 $entity_1 . . yes native no no . . . 50002 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 6TZN . . 'X-ray crystallography' 1.35 'same construct' . 50002 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50002 _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 A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; KDEDNLDFTKNLLTRIKNLH PLTNKSTIHSLLSYVFSRQT QNIACEPMYIDYRKDETEAI IRWKTPLHAETCINAFRTQE RKQNSHDDIRAHRKKGSSRP FLIAELITGEEEKNYWRMLK K ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 121 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'telomerase assembly component in fission yeast S. pombe' 50002 1 stop_ 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 1 282 LYS . 50002 1 2 283 ASP . 50002 1 3 284 GLU . 50002 1 4 285 ASP . 50002 1 5 286 ASN . 50002 1 6 287 LEU . 50002 1 7 288 ASP . 50002 1 8 289 PHE . 50002 1 9 290 THR . 50002 1 10 291 LYS . 50002 1 11 292 ASN . 50002 1 12 293 LEU . 50002 1 13 294 LEU . 50002 1 14 295 THR . 50002 1 15 296 ARG . 50002 1 16 297 ILE . 50002 1 17 298 LYS . 50002 1 18 299 ASN . 50002 1 19 300 LEU . 50002 1 20 301 HIS . 50002 1 21 302 PRO . 50002 1 22 303 LEU . 50002 1 23 304 THR . 50002 1 24 305 ASN . 50002 1 25 306 LYS . 50002 1 26 307 SER . 50002 1 27 308 THR . 50002 1 28 309 ILE . 50002 1 29 310 HIS . 50002 1 30 311 SER . 50002 1 31 312 LEU . 50002 1 32 313 LEU . 50002 1 33 314 SER . 50002 1 34 315 TYR . 50002 1 35 316 VAL . 50002 1 36 317 PHE . 50002 1 37 318 SER . 50002 1 38 319 ARG . 50002 1 39 320 GLN . 50002 1 40 321 THR . 50002 1 41 322 GLN . 50002 1 42 323 ASN . 50002 1 43 324 ILE . 50002 1 44 325 ALA . 50002 1 45 326 CYS . 50002 1 46 327 GLU . 50002 1 47 328 PRO . 50002 1 48 329 MET . 50002 1 49 330 TYR . 50002 1 50 331 ILE . 50002 1 51 332 ASP . 50002 1 52 333 TYR . 50002 1 53 334 ARG . 50002 1 54 335 LYS . 50002 1 55 336 ASP . 50002 1 56 337 GLU . 50002 1 57 338 THR . 50002 1 58 339 GLU . 50002 1 59 340 ALA . 50002 1 60 341 ILE . 50002 1 61 342 ILE . 50002 1 62 343 ARG . 50002 1 63 344 TRP . 50002 1 64 345 LYS . 50002 1 65 346 THR . 50002 1 66 347 PRO . 50002 1 67 348 LEU . 50002 1 68 349 HIS . 50002 1 69 350 ALA . 50002 1 70 351 GLU . 50002 1 71 352 THR . 50002 1 72 353 CYS . 50002 1 73 354 ILE . 50002 1 74 355 ASN . 50002 1 75 356 ALA . 50002 1 76 357 PHE . 50002 1 77 358 ARG . 50002 1 78 359 THR . 50002 1 79 360 GLN . 50002 1 80 361 GLU . 50002 1 81 362 ARG . 50002 1 82 363 LYS . 50002 1 83 364 GLN . 50002 1 84 365 ASN . 50002 1 85 366 SER . 50002 1 86 367 HIS . 50002 1 87 368 ASP . 50002 1 88 369 ASP . 50002 1 89 370 ILE . 50002 1 90 371 ARG . 50002 1 91 372 ALA . 50002 1 92 373 HIS . 50002 1 93 374 ARG . 50002 1 94 375 LYS . 50002 1 95 376 LYS . 50002 1 96 377 GLY . 50002 1 97 378 SER . 50002 1 98 379 SER . 50002 1 99 380 ARG . 50002 1 100 381 PRO . 50002 1 101 382 PHE . 50002 1 102 383 LEU . 50002 1 103 384 ILE . 50002 1 104 385 ALA . 50002 1 105 386 GLU . 50002 1 106 387 LEU . 50002 1 107 388 ILE . 50002 1 108 389 THR . 50002 1 109 390 GLY . 50002 1 110 391 GLU . 50002 1 111 392 GLU . 50002 1 112 393 GLU . 50002 1 113 394 LYS . 50002 1 114 395 ASN . 50002 1 115 396 TYR . 50002 1 116 397 TRP . 50002 1 117 398 ARG . 50002 1 118 399 MET . 50002 1 119 400 LEU . 50002 1 120 401 LYS . 50002 1 121 402 LYS . 50002 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 . LYS 1 1 50002 1 . ASP 2 2 50002 1 . GLU 3 3 50002 1 . ASP 4 4 50002 1 . ASN 5 5 50002 1 . LEU 6 6 50002 1 . ASP 7 7 50002 1 . PHE 8 8 50002 1 . THR 9 9 50002 1 . LYS 10 10 50002 1 . ASN 11 11 50002 1 . LEU 12 12 50002 1 . LEU 13 13 50002 1 . THR 14 14 50002 1 . ARG 15 15 50002 1 . ILE 16 16 50002 1 . LYS 17 17 50002 1 . ASN 18 18 50002 1 . LEU 19 19 50002 1 . HIS 20 20 50002 1 . PRO 21 21 50002 1 . LEU 22 22 50002 1 . THR 23 23 50002 1 . ASN 24 24 50002 1 . LYS 25 25 50002 1 . SER 26 26 50002 1 . THR 27 27 50002 1 . ILE 28 28 50002 1 . HIS 29 29 50002 1 . SER 30 30 50002 1 . LEU 31 31 50002 1 . LEU 32 32 50002 1 . SER 33 33 50002 1 . TYR 34 34 50002 1 . VAL 35 35 50002 1 . PHE 36 36 50002 1 . SER 37 37 50002 1 . ARG 38 38 50002 1 . GLN 39 39 50002 1 . THR 40 40 50002 1 . GLN 41 41 50002 1 . ASN 42 42 50002 1 . ILE 43 43 50002 1 . ALA 44 44 50002 1 . CYS 45 45 50002 1 . GLU 46 46 50002 1 . PRO 47 47 50002 1 . MET 48 48 50002 1 . TYR 49 49 50002 1 . ILE 50 50 50002 1 . ASP 51 51 50002 1 . TYR 52 52 50002 1 . ARG 53 53 50002 1 . LYS 54 54 50002 1 . ASP 55 55 50002 1 . GLU 56 56 50002 1 . THR 57 57 50002 1 . GLU 58 58 50002 1 . ALA 59 59 50002 1 . ILE 60 60 50002 1 . ILE 61 61 50002 1 . ARG 62 62 50002 1 . TRP 63 63 50002 1 . LYS 64 64 50002 1 . THR 65 65 50002 1 . PRO 66 66 50002 1 . LEU 67 67 50002 1 . HIS 68 68 50002 1 . ALA 69 69 50002 1 . GLU 70 70 50002 1 . THR 71 71 50002 1 . CYS 72 72 50002 1 . ILE 73 73 50002 1 . ASN 74 74 50002 1 . ALA 75 75 50002 1 . PHE 76 76 50002 1 . ARG 77 77 50002 1 . THR 78 78 50002 1 . GLN 79 79 50002 1 . GLU 80 80 50002 1 . ARG 81 81 50002 1 . LYS 82 82 50002 1 . GLN 83 83 50002 1 . ASN 84 84 50002 1 . SER 85 85 50002 1 . HIS 86 86 50002 1 . ASP 87 87 50002 1 . ASP 88 88 50002 1 . ILE 89 89 50002 1 . ARG 90 90 50002 1 . ALA 91 91 50002 1 . HIS 92 92 50002 1 . ARG 93 93 50002 1 . LYS 94 94 50002 1 . LYS 95 95 50002 1 . GLY 96 96 50002 1 . SER 97 97 50002 1 . SER 98 98 50002 1 . ARG 99 99 50002 1 . PRO 100 100 50002 1 . PHE 101 101 50002 1 . LEU 102 102 50002 1 . ILE 103 103 50002 1 . ALA 104 104 50002 1 . GLU 105 105 50002 1 . LEU 106 106 50002 1 . ILE 107 107 50002 1 . THR 108 108 50002 1 . GLY 109 109 50002 1 . GLU 110 110 50002 1 . GLU 111 111 50002 1 . GLU 112 112 50002 1 . LYS 113 113 50002 1 . ASN 114 114 50002 1 . TYR 115 115 50002 1 . TRP 116 116 50002 1 . ARG 117 117 50002 1 . MET 118 118 50002 1 . LEU 119 119 50002 1 . LYS 120 120 50002 1 . LYS 121 121 50002 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 50002 _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 . 4896 organism . 'Schizosaccharomyces pombe' 'fission yeast' . . Eukaryota Fungi Schizosaccharomyces pombe . . . . . . . . . . . . . 50002 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 50002 _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 . . pET . . . 50002 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50002 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details 'The sample was prepared with 13C glucose and 15N ammonium chloride as the sole carbon and nitrogen source, respectively.' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 'Pof8 C-terminal xRRM' '[U-13C; U-15N]' . . 1 $entity_1 . . 0.8 . . mM . . . . 50002 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 50002 1 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 50002 1 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 50002 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 50002 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details '20 mM Sodium Phosphate pH 6.1, 50 mM KCl, 1 mM TCEP' 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 'ionic strength' 50 . mM 50002 1 pH 6.1 . pH 50002 1 pressure 1 . atm 50002 1 temperature 298 . K 50002 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50002 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 50002 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50002 1 'data analysis' . 50002 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50002 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 50002 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50002 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50002 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 50002 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50002 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 50002 _Software.ID 4 _Software.Type . _Software.Name PINE _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 50002 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50002 4 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 50002 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 50002 _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 . . . . . . . . . . . . . . . . . 50002 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50002 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50002 1 4 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50002 1 5 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50002 1 6 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50002 1 7 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50002 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50002 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50002 1 10 '15N-(1H) NOE' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50002 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 50002 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 na 'methyl carbon' . . . . na 0 na indirect 1 . . . . . 50002 1 H 1 water protons . . . . ppm 0 internal direct 1 . . . . . 50002 1 N 15 na nitrogen . . . . na 0 na indirect 1 . . . . . 50002 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 50002 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 50002 1 2 '2D 1H-13C HSQC' . . . 50002 1 3 '3D CBCA(CO)NH' . . . 50002 1 4 '3D C(CO)NH' . . . 50002 1 5 '3D HNCO' . . . 50002 1 6 '3D HNCA' . . . 50002 1 7 '3D HNCACB' . . . 50002 1 8 '3D HBHA(CO)NH' . . . 50002 1 10 '3D 1H-15N NOESY' . . . 50002 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 . . 50002 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 ASP HA H 1 4.244 0.00 . 1 . . . . . 283 ASP HA . 50002 1 2 . 1 . 1 2 2 ASP HB2 H 1 2.411 0.00 . 1 . . . . . 283 ASP HB1 . 50002 1 3 . 1 . 1 2 2 ASP HB3 H 1 2.271 0.00 . 1 . . . . . 283 ASP HB2 . 50002 1 4 . 1 . 1 2 2 ASP C C 13 173.348 0.01 . 1 . . . . . 283 ASP C . 50002 1 5 . 1 . 1 2 2 ASP CA C 13 55.134 0.11 . 1 . . . . . 283 ASP CA . 50002 1 6 . 1 . 1 2 2 ASP CB C 13 40.724 0.02 . 1 . . . . . 283 ASP CB . 50002 1 7 . 1 . 1 3 3 GLU H H 1 8.755 0.01 . 1 . . . . . 284 GLU H . 50002 1 8 . 1 . 1 3 3 GLU HA H 1 4.723 0.03 . 1 . . . . . 284 GLU HA . 50002 1 9 . 1 . 1 3 3 GLU C C 13 173.522 0.02 . 1 . . . . . 284 GLU C . 50002 1 10 . 1 . 1 3 3 GLU CA C 13 57.114 0.04 . 1 . . . . . 284 GLU CA . 50002 1 11 . 1 . 1 3 3 GLU CB C 13 29.885 0.01 . 1 . . . . . 284 GLU CB . 50002 1 12 . 1 . 1 3 3 GLU N N 15 121.027 0.03 . 1 . . . . . 284 GLU N . 50002 1 13 . 1 . 1 4 4 ASP H H 1 8.356 0.00 . 1 . . . . . 285 ASP H . 50002 1 14 . 1 . 1 4 4 ASP HA H 1 4.248 0.01 . 1 . . . . . 285 ASP HA . 50002 1 15 . 1 . 1 4 4 ASP HB2 H 1 2.309 0.00 . 1 . . . . . 285 ASP HB . 50002 1 16 . 1 . 1 4 4 ASP HB3 H 1 2.309 0.00 . 1 . . . . . 285 ASP HB . 50002 1 17 . 1 . 1 4 4 ASP C C 13 173.170 0.01 . 1 . . . . . 285 ASP C . 50002 1 18 . 1 . 1 4 4 ASP CA C 13 54.465 0.05 . 1 . . . . . 285 ASP CA . 50002 1 19 . 1 . 1 4 4 ASP CB C 13 41.104 0.02 . 1 . . . . . 285 ASP CB . 50002 1 20 . 1 . 1 4 4 ASP N N 15 120.747 0.03 . 1 . . . . . 285 ASP N . 50002 1 21 . 1 . 1 5 5 ASN H H 1 8.310 0.00 . 1 . . . . . 286 ASN H . 50002 1 22 . 1 . 1 5 5 ASN HA H 1 4.307 0.00 . 1 . . . . . 286 ASN HA . 50002 1 23 . 1 . 1 5 5 ASN HB2 H 1 2.423 0.00 . 1 . . . . . 286 ASN HB . 50002 1 24 . 1 . 1 5 5 ASN HB3 H 1 2.423 0.00 . 1 . . . . . 286 ASN HB . 50002 1 25 . 1 . 1 5 5 ASN C C 13 171.946 0.01 . 1 . . . . . 286 ASN C . 50002 1 26 . 1 . 1 5 5 ASN CA C 13 53.281 0.09 . 1 . . . . . 286 ASN CA . 50002 1 27 . 1 . 1 5 5 ASN CB C 13 38.748 0.01 . 1 . . . . . 286 ASN CB . 50002 1 28 . 1 . 1 5 5 ASN N N 15 118.869 0.02 . 1 . . . . . 286 ASN N . 50002 1 29 . 1 . 1 6 6 LEU H H 1 8.153 0.01 . 1 . . . . . 287 LEU H . 50002 1 30 . 1 . 1 6 6 LEU HA H 1 4.023 0.00 . 1 . . . . . 287 LEU HA . 50002 1 31 . 1 . 1 6 6 LEU HB2 H 1 1.230 0.00 . 1 . . . . . 287 LEU HB . 50002 1 32 . 1 . 1 6 6 LEU HB3 H 1 1.230 0.00 . 1 . . . . . 287 LEU HB . 50002 1 33 . 1 . 1 6 6 LEU C C 13 173.481 0.01 . 1 . . . . . 287 LEU C . 50002 1 34 . 1 . 1 6 6 LEU CA C 13 55.015 0.09 . 1 . . . . . 287 LEU CA . 50002 1 35 . 1 . 1 6 6 LEU CB C 13 42.436 0.08 . 1 . . . . . 287 LEU CB . 50002 1 36 . 1 . 1 6 6 LEU N N 15 122.590 0.02 . 1 . . . . . 287 LEU N . 50002 1 37 . 1 . 1 7 7 ASP H H 1 8.425 0.01 . 1 . . . . . 288 ASP H . 50002 1 38 . 1 . 1 7 7 ASP HA H 1 4.206 0.01 . 1 . . . . . 288 ASP HA . 50002 1 39 . 1 . 1 7 7 ASP HB2 H 1 2.214 0.00 . 1 . . . . . 288 ASP HB . 50002 1 40 . 1 . 1 7 7 ASP HB3 H 1 2.214 0.00 . 1 . . . . . 288 ASP HB . 50002 1 41 . 1 . 1 7 7 ASP C C 13 171.887 0.01 . 1 . . . . . 288 ASP C . 50002 1 42 . 1 . 1 7 7 ASP CA C 13 53.822 0.06 . 1 . . . . . 288 ASP CA . 50002 1 43 . 1 . 1 7 7 ASP CB C 13 41.148 0.04 . 1 . . . . . 288 ASP CB . 50002 1 44 . 1 . 1 7 7 ASP N N 15 123.013 0.04 . 1 . . . . . 288 ASP N . 50002 1 45 . 1 . 1 8 8 PHE H H 1 7.059 0.00 . 1 . . . . . 289 PHE H . 50002 1 46 . 1 . 1 8 8 PHE HA H 1 3.842 0.00 . 1 . . . . . 289 PHE HA . 50002 1 47 . 1 . 1 8 8 PHE HB2 H 1 1.899 0.00 . 1 . . . . . 289 PHE HB2 . 50002 1 48 . 1 . 1 8 8 PHE C C 13 170.831 0.01 . 1 . . . . . 289 PHE C . 50002 1 49 . 1 . 1 8 8 PHE CA C 13 55.623 0.06 . 1 . . . . . 289 PHE CA . 50002 1 50 . 1 . 1 8 8 PHE CB C 13 39.157 0.04 . 1 . . . . . 289 PHE CB . 50002 1 51 . 1 . 1 8 8 PHE N N 15 116.767 0.04 . 1 . . . . . 289 PHE N . 50002 1 52 . 1 . 1 9 9 THR H H 1 8.044 0.01 . 1 . . . . . 290 THR H . 50002 1 53 . 1 . 1 9 9 THR C C 13 170.465 0.01 . 1 . . . . . 290 THR C . 50002 1 54 . 1 . 1 9 9 THR CA C 13 62.659 0.03 . 1 . . . . . 290 THR CA . 50002 1 55 . 1 . 1 9 9 THR CB C 13 69.388 0.04 . 1 . . . . . 290 THR CB . 50002 1 56 . 1 . 1 9 9 THR N N 15 119.655 0.03 . 1 . . . . . 290 THR N . 50002 1 57 . 1 . 1 10 10 LYS H H 1 8.404 0.00 . 1 . . . . . 291 LYS H . 50002 1 58 . 1 . 1 10 10 LYS C C 13 174.256 0.01 . 1 . . . . . 291 LYS C . 50002 1 59 . 1 . 1 10 10 LYS CA C 13 57.236 0.05 . 1 . . . . . 291 LYS CA . 50002 1 60 . 1 . 1 10 10 LYS CB C 13 33.811 0.04 . 1 . . . . . 291 LYS CB . 50002 1 61 . 1 . 1 10 10 LYS N N 15 127.096 0.05 . 1 . . . . . 291 LYS N . 50002 1 62 . 1 . 1 11 11 ASN H H 1 9.485 0.01 . 1 . . . . . 292 ASN H . 50002 1 63 . 1 . 1 11 11 ASN C C 13 171.602 0.02 . 1 . . . . . 292 ASN C . 50002 1 64 . 1 . 1 11 11 ASN CA C 13 54.922 0.10 . 1 . . . . . 292 ASN CA . 50002 1 65 . 1 . 1 11 11 ASN CB C 13 35.873 0.06 . 1 . . . . . 292 ASN CB . 50002 1 66 . 1 . 1 11 11 ASN N N 15 113.535 0.02 . 1 . . . . . 292 ASN N . 50002 1 67 . 1 . 1 12 12 LEU H H 1 8.238 0.00 . 1 . . . . . 293 LEU H . 50002 1 68 . 1 . 1 12 12 LEU C C 13 174.942 0.02 . 1 . . . . . 293 LEU C . 50002 1 69 . 1 . 1 12 12 LEU CA C 13 55.266 0.06 . 1 . . . . . 293 LEU CA . 50002 1 70 . 1 . 1 12 12 LEU CB C 13 43.514 0.03 . 1 . . . . . 293 LEU CB . 50002 1 71 . 1 . 1 12 12 LEU CG C 13 26.119 0.00 . 1 . . . . . 293 LEU CG . 50002 1 72 . 1 . 1 12 12 LEU CD1 C 13 21.966 0.00 . 1 . . . . . 293 LEU CD . 50002 1 73 . 1 . 1 12 12 LEU CD2 C 13 21.966 0.00 . 1 . . . . . 293 LEU CD . 50002 1 74 . 1 . 1 12 12 LEU N N 15 112.581 0.03 . 1 . . . . . 293 LEU N . 50002 1 75 . 1 . 1 13 13 LEU H H 1 9.677 0.01 . 1 . . . . . 294 LEU H . 50002 1 76 . 1 . 1 13 13 LEU HA H 1 5.213 0.00 . 1 . . . . . 294 LEU HA . 50002 1 77 . 1 . 1 13 13 LEU HB2 H 1 1.911 0.00 . 1 . . . . . 294 LEU HB1 . 50002 1 78 . 1 . 1 13 13 LEU HB3 H 1 0.390 0.00 . 1 . . . . . 294 LEU HB2 . 50002 1 79 . 1 . 1 13 13 LEU C C 13 174.926 0.02 . 1 . . . . . 294 LEU C . 50002 1 80 . 1 . 1 13 13 LEU CA C 13 53.352 0.08 . 1 . . . . . 294 LEU CA . 50002 1 81 . 1 . 1 13 13 LEU CB C 13 44.813 0.06 . 1 . . . . . 294 LEU CB . 50002 1 82 . 1 . 1 13 13 LEU CD1 C 13 22.256 0.00 . 1 . . . . . 294 LEU CD . 50002 1 83 . 1 . 1 13 13 LEU CD2 C 13 22.256 0.00 . 1 . . . . . 294 LEU CD . 50002 1 84 . 1 . 1 13 13 LEU N N 15 119.296 0.05 . 1 . . . . . 294 LEU N . 50002 1 85 . 1 . 1 14 14 THR H H 1 9.080 0.00 . 1 . . . . . 295 THR H . 50002 1 86 . 1 . 1 14 14 THR C C 13 172.341 0.00 . 1 . . . . . 295 THR C . 50002 1 87 . 1 . 1 14 14 THR CA C 13 57.039 0.05 . 1 . . . . . 295 THR CA . 50002 1 88 . 1 . 1 14 14 THR CB C 13 71.968 0.08 . 1 . . . . . 295 THR CB . 50002 1 89 . 1 . 1 14 14 THR CG2 C 13 21.295 0.00 . 1 . . . . . 295 THR CG . 50002 1 90 . 1 . 1 14 14 THR N N 15 107.779 0.04 . 1 . . . . . 295 THR N . 50002 1 91 . 1 . 1 15 15 ARG H H 1 9.662 0.01 . 1 . . . . . 296 ARG H . 50002 1 92 . 1 . 1 15 15 ARG C C 13 172.225 0.01 . 1 . . . . . 296 ARG C . 50002 1 93 . 1 . 1 15 15 ARG CA C 13 54.574 0.07 . 1 . . . . . 296 ARG CA . 50002 1 94 . 1 . 1 15 15 ARG CB C 13 32.362 0.11 . 1 . . . . . 296 ARG CB . 50002 1 95 . 1 . 1 15 15 ARG N N 15 129.084 0.06 . 1 . . . . . 296 ARG N . 50002 1 96 . 1 . 1 16 16 ILE H H 1 9.298 0.00 . 1 . . . . . 297 ILE H . 50002 1 97 . 1 . 1 16 16 ILE C C 13 172.102 0.01 . 1 . . . . . 297 ILE C . 50002 1 98 . 1 . 1 16 16 ILE CA C 13 58.705 0.05 . 1 . . . . . 297 ILE CA . 50002 1 99 . 1 . 1 16 16 ILE CB C 13 38.660 0.12 . 1 . . . . . 297 ILE CB . 50002 1 100 . 1 . 1 16 16 ILE N N 15 126.849 0.04 . 1 . . . . . 297 ILE N . 50002 1 101 . 1 . 1 17 17 LYS H H 1 9.052 0.00 . 1 . . . . . 298 LYS H . 50002 1 102 . 1 . 1 17 17 LYS C C 13 172.463 0.01 . 1 . . . . . 298 LYS C . 50002 1 103 . 1 . 1 17 17 LYS CA C 13 55.064 0.11 . 1 . . . . . 298 LYS CA . 50002 1 104 . 1 . 1 17 17 LYS CB C 13 35.811 0.14 . 1 . . . . . 298 LYS CB . 50002 1 105 . 1 . 1 17 17 LYS N N 15 122.884 0.05 . 1 . . . . . 298 LYS N . 50002 1 106 . 1 . 1 18 18 ASN H H 1 8.366 0.01 . 1 . . . . . 299 ASN H . 50002 1 107 . 1 . 1 18 18 ASN CA C 13 54.782 0.04 . 1 . . . . . 299 ASN CA . 50002 1 108 . 1 . 1 18 18 ASN N N 15 111.564 0.10 . 1 . . . . . 299 ASN N . 50002 1 109 . 1 . 1 19 19 LEU H H 1 6.777 0.00 . 1 . . . . . 300 LEU H . 50002 1 110 . 1 . 1 19 19 LEU N N 15 120.141 0.00 . 1 . . . . . 300 LEU N . 50002 1 111 . 1 . 1 23 23 THR C C 13 172.739 0.00 . 1 . . . . . 304 THR C . 50002 1 112 . 1 . 1 23 23 THR CA C 13 69.823 0.00 . 1 . . . . . 304 THR CA . 50002 1 113 . 1 . 1 23 23 THR CG2 C 13 18.517 0.00 . 1 . . . . . 304 THR CG . 50002 1 114 . 1 . 1 24 24 ASN H H 1 8.072 0.01 . 1 . . . . . 305 ASN H . 50002 1 115 . 1 . 1 24 24 ASN C C 13 172.355 0.02 . 1 . . . . . 305 ASN C . 50002 1 116 . 1 . 1 24 24 ASN CA C 13 51.338 0.05 . 1 . . . . . 305 ASN CA . 50002 1 117 . 1 . 1 24 24 ASN CB C 13 40.739 0.12 . 1 . . . . . 305 ASN CB . 50002 1 118 . 1 . 1 24 24 ASN N N 15 111.677 0.09 . 1 . . . . . 305 ASN N . 50002 1 119 . 1 . 1 25 25 LYS H H 1 8.966 0.00 . 1 . . . . . 306 LYS H . 50002 1 120 . 1 . 1 25 25 LYS C C 13 174.980 0.02 . 1 . . . . . 306 LYS C . 50002 1 121 . 1 . 1 25 25 LYS CA C 13 61.342 0.09 . 1 . . . . . 306 LYS CA . 50002 1 122 . 1 . 1 25 25 LYS CB C 13 32.567 0.10 . 1 . . . . . 306 LYS CB . 50002 1 123 . 1 . 1 25 25 LYS N N 15 118.212 0.03 . 1 . . . . . 306 LYS N . 50002 1 124 . 1 . 1 26 26 SER H H 1 8.456 0.00 . 1 . . . . . 307 SER H . 50002 1 125 . 1 . 1 26 26 SER C C 13 174.626 0.06 . 1 . . . . . 307 SER C . 50002 1 126 . 1 . 1 26 26 SER CA C 13 61.786 0.04 . 1 . . . . . 307 SER CA . 50002 1 127 . 1 . 1 26 26 SER CB C 13 62.333 0.09 . 1 . . . . . 307 SER CB . 50002 1 128 . 1 . 1 26 26 SER N N 15 115.090 0.05 . 1 . . . . . 307 SER N . 50002 1 129 . 1 . 1 27 27 THR H H 1 8.300 0.01 . 1 . . . . . 308 THR H . 50002 1 130 . 1 . 1 27 27 THR C C 13 171.972 0.02 . 1 . . . . . 308 THR C . 50002 1 131 . 1 . 1 27 27 THR CA C 13 66.831 0.09 . 1 . . . . . 308 THR CA . 50002 1 132 . 1 . 1 27 27 THR CB C 13 67.952 0.00 . 1 . . . . . 308 THR CB . 50002 1 133 . 1 . 1 27 27 THR N N 15 120.472 0.06 . 1 . . . . . 308 THR N . 50002 1 134 . 1 . 1 28 28 ILE H H 1 7.888 0.01 . 1 . . . . . 309 ILE H . 50002 1 135 . 1 . 1 28 28 ILE C C 13 170.531 0.12 . 1 . . . . . 309 ILE C . 50002 1 136 . 1 . 1 28 28 ILE N N 15 122.928 0.13 . 1 . . . . . 309 ILE N . 50002 1 137 . 1 . 1 29 29 HIS H H 1 8.073 0.00 . 4 . . . . . 310 HIS H . 50002 1 138 . 1 . 1 29 29 HIS CA C 13 57.916 0.00 . 4 . . . . . 310 HIS CA . 50002 1 139 . 1 . 1 29 29 HIS N N 15 131.627 0.02 . 4 . . . . . 310 HIS N . 50002 1 140 . 1 . 1 30 30 SER H H 1 8.344 0.00 . 4 . . . . . 311 SER H . 50002 1 141 . 1 . 1 30 30 SER CA C 13 58.253 0.00 . 4 . . . . . 311 SER CA . 50002 1 142 . 1 . 1 30 30 SER N N 15 114.513 0.00 . 4 . . . . . 311 SER N . 50002 1 143 . 1 . 1 31 31 LEU H H 1 8.899 0.00 . 4 . . . . . 312 LEU H . 50002 1 144 . 1 . 1 31 31 LEU CA C 13 58.151 0.00 . 4 . . . . . 312 LEU CA . 50002 1 145 . 1 . 1 31 31 LEU N N 15 126.941 0.01 . 4 . . . . . 312 LEU N . 50002 1 146 . 1 . 1 32 32 LEU C C 13 175.725 0.00 . 4 . . . . . 313 LEU C . 50002 1 147 . 1 . 1 32 32 LEU CA C 13 62.515 0.00 . 4 . . . . . 313 LEU CA . 50002 1 148 . 1 . 1 33 33 SER H H 1 8.407 0.00 . 4 . . . . . 314 SER H . 50002 1 149 . 1 . 1 33 33 SER CA C 13 58.187 0.00 . 4 . . . . . 314 SER CA . 50002 1 150 . 1 . 1 33 33 SER N N 15 114.473 0.01 . 4 . . . . . 314 SER N . 50002 1 151 . 1 . 1 34 34 TYR H H 1 8.416 0.00 . 4 . . . . . 315 TYR H . 50002 1 152 . 1 . 1 34 34 TYR CA C 13 62.431 0.20 . 4 . . . . . 315 TYR CA . 50002 1 153 . 1 . 1 34 34 TYR N N 15 124.272 0.01 . 4 . . . . . 315 TYR N . 50002 1 154 . 1 . 1 35 35 VAL H H 1 7.899 0.00 . 1 . . . . . 316 VAL H . 50002 1 155 . 1 . 1 35 35 VAL CA C 13 66.632 0.11 . 1 . . . . . 316 VAL CA . 50002 1 156 . 1 . 1 35 35 VAL CB C 13 38.503 0.00 . 1 . . . . . 316 VAL CB . 50002 1 157 . 1 . 1 35 35 VAL N N 15 114.751 0.00 . 1 . . . . . 316 VAL N . 50002 1 158 . 1 . 1 36 36 PHE H H 1 9.123 0.01 . 1 . . . . . 317 PHE H . 50002 1 159 . 1 . 1 36 36 PHE CA C 13 62.615 0.06 . 1 . . . . . 317 PHE CA . 50002 1 160 . 1 . 1 36 36 PHE CB C 13 38.350 0.00 . 1 . . . . . 317 PHE CB . 50002 1 161 . 1 . 1 36 36 PHE N N 15 121.891 0.03 . 1 . . . . . 317 PHE N . 50002 1 162 . 1 . 1 37 37 SER H H 1 7.962 0.00 . 1 . . . . . 318 SER H . 50002 1 163 . 1 . 1 37 37 SER C C 13 172.416 0.01 . 1 . . . . . 318 SER C . 50002 1 164 . 1 . 1 37 37 SER CA C 13 61.180 0.04 . 1 . . . . . 318 SER CA . 50002 1 165 . 1 . 1 37 37 SER CB C 13 62.906 0.06 . 1 . . . . . 318 SER CB . 50002 1 166 . 1 . 1 37 37 SER N N 15 114.658 0.13 . 1 . . . . . 318 SER N . 50002 1 167 . 1 . 1 38 38 ARG H H 1 7.155 0.00 . 1 . . . . . 319 ARG H . 50002 1 168 . 1 . 1 38 38 ARG C C 13 173.717 0.03 . 1 . . . . . 319 ARG C . 50002 1 169 . 1 . 1 38 38 ARG CA C 13 54.799 0.12 . 1 . . . . . 319 ARG CA . 50002 1 170 . 1 . 1 38 38 ARG CB C 13 28.888 0.00 . 1 . . . . . 319 ARG CB . 50002 1 171 . 1 . 1 38 38 ARG N N 15 119.129 0.03 . 1 . . . . . 319 ARG N . 50002 1 172 . 1 . 1 39 39 GLN H H 1 7.544 0.00 . 1 . . . . . 320 GLN H . 50002 1 173 . 1 . 1 39 39 GLN CA C 13 55.251 0.42 . 1 . . . . . 320 GLN CA . 50002 1 174 . 1 . 1 39 39 GLN CB C 13 29.502 0.00 . 1 . . . . . 320 GLN CB . 50002 1 175 . 1 . 1 39 39 GLN N N 15 119.877 0.10 . 1 . . . . . 320 GLN N . 50002 1 176 . 1 . 1 40 40 THR H H 1 8.153 0.00 . 1 . . . . . 321 THR H . 50002 1 177 . 1 . 1 40 40 THR C C 13 170.237 0.00 . 1 . . . . . 321 THR C . 50002 1 178 . 1 . 1 40 40 THR CA C 13 61.534 0.04 . 1 . . . . . 321 THR CA . 50002 1 179 . 1 . 1 40 40 THR N N 15 112.117 0.15 . 1 . . . . . 321 THR N . 50002 1 180 . 1 . 1 41 41 GLN H H 1 8.432 0.01 . 1 . . . . . 322 GLN H . 50002 1 181 . 1 . 1 41 41 GLN C C 13 173.546 0.06 . 1 . . . . . 322 GLN C . 50002 1 182 . 1 . 1 41 41 GLN CA C 13 55.674 0.04 . 1 . . . . . 322 GLN CA . 50002 1 183 . 1 . 1 41 41 GLN CB C 13 29.157 0.03 . 1 . . . . . 322 GLN CB . 50002 1 184 . 1 . 1 41 41 GLN N N 15 121.182 0.03 . 1 . . . . . 322 GLN N . 50002 1 185 . 1 . 1 42 42 ASN H H 1 8.503 0.00 . 1 . . . . . 323 ASN H . 50002 1 186 . 1 . 1 42 42 ASN C C 13 171.420 0.01 . 1 . . . . . 323 ASN C . 50002 1 187 . 1 . 1 42 42 ASN CA C 13 53.997 0.09 . 1 . . . . . 323 ASN CA . 50002 1 188 . 1 . 1 42 42 ASN CB C 13 38.731 0.14 . 1 . . . . . 323 ASN CB . 50002 1 189 . 1 . 1 42 42 ASN N N 15 118.465 0.03 . 1 . . . . . 323 ASN N . 50002 1 190 . 1 . 1 43 43 ILE H H 1 7.458 0.00 . 1 . . . . . 324 ILE H . 50002 1 191 . 1 . 1 43 43 ILE C C 13 171.351 0.03 . 1 . . . . . 324 ILE C . 50002 1 192 . 1 . 1 43 43 ILE CA C 13 60.087 0.07 . 1 . . . . . 324 ILE CA . 50002 1 193 . 1 . 1 43 43 ILE CB C 13 40.020 0.06 . 1 . . . . . 324 ILE CB . 50002 1 194 . 1 . 1 43 43 ILE N N 15 119.276 0.05 . 1 . . . . . 324 ILE N . 50002 1 195 . 1 . 1 44 44 ALA H H 1 8.588 0.00 . 1 . . . . . 325 ALA H . 50002 1 196 . 1 . 1 44 44 ALA C C 13 173.815 0.02 . 1 . . . . . 325 ALA C . 50002 1 197 . 1 . 1 44 44 ALA CA C 13 51.579 0.03 . 1 . . . . . 325 ALA CA . 50002 1 198 . 1 . 1 44 44 ALA CB C 13 19.368 0.10 . 1 . . . . . 325 ALA CB . 50002 1 199 . 1 . 1 44 44 ALA N N 15 128.482 0.03 . 1 . . . . . 325 ALA N . 50002 1 200 . 1 . 1 45 45 CYS H H 1 8.924 0.00 . 1 . . . . . 326 CYS H . 50002 1 201 . 1 . 1 45 45 CYS C C 13 171.194 0.00 . 1 . . . . . 326 CYS C . 50002 1 202 . 1 . 1 45 45 CYS CA C 13 59.689 0.01 . 1 . . . . . 326 CYS CA . 50002 1 203 . 1 . 1 45 45 CYS CB C 13 26.655 0.00 . 1 . . . . . 326 CYS CB . 50002 1 204 . 1 . 1 45 45 CYS N N 15 120.892 0.03 . 1 . . . . . 326 CYS N . 50002 1 205 . 1 . 1 47 47 PRO C C 13 173.847 0.00 . 1 . . . . . 328 PRO C . 50002 1 206 . 1 . 1 47 47 PRO CA C 13 62.684 0.08 . 1 . . . . . 328 PRO CA . 50002 1 207 . 1 . 1 47 47 PRO CB C 13 30.208 0.00 . 1 . . . . . 328 PRO CB . 50002 1 208 . 1 . 1 48 48 MET H H 1 9.080 0.01 . 1 . . . . . 329 MET H . 50002 1 209 . 1 . 1 48 48 MET C C 13 174.240 0.00 . 1 . . . . . 329 MET C . 50002 1 210 . 1 . 1 48 48 MET CA C 13 55.481 0.04 . 1 . . . . . 329 MET CA . 50002 1 211 . 1 . 1 48 48 MET CB C 13 32.571 0.11 . 1 . . . . . 329 MET CB . 50002 1 212 . 1 . 1 48 48 MET CG C 13 31.442 0.00 . 1 . . . . . 329 MET CG . 50002 1 213 . 1 . 1 48 48 MET N N 15 121.643 0.05 . 1 . . . . . 329 MET N . 50002 1 214 . 1 . 1 49 49 TYR H H 1 7.396 0.00 . 1 . . . . . 330 TYR H . 50002 1 215 . 1 . 1 49 49 TYR C C 13 170.043 0.03 . 1 . . . . . 330 TYR C . 50002 1 216 . 1 . 1 49 49 TYR CA C 13 59.111 0.12 . 1 . . . . . 330 TYR CA . 50002 1 217 . 1 . 1 49 49 TYR CB C 13 41.814 0.08 . 1 . . . . . 330 TYR CB . 50002 1 218 . 1 . 1 49 49 TYR N N 15 116.683 0.04 . 1 . . . . . 330 TYR N . 50002 1 219 . 1 . 1 50 50 ILE H H 1 7.731 0.00 . 1 . . . . . 331 ILE H . 50002 1 220 . 1 . 1 50 50 ILE CA C 13 61.060 0.06 . 1 . . . . . 331 ILE CA . 50002 1 221 . 1 . 1 50 50 ILE CB C 13 39.284 0.07 . 1 . . . . . 331 ILE CB . 50002 1 222 . 1 . 1 50 50 ILE N N 15 126.433 0.05 . 1 . . . . . 331 ILE N . 50002 1 223 . 1 . 1 51 51 ASP H H 1 9.071 0.00 . 1 . . . . . 332 ASP H . 50002 1 224 . 1 . 1 51 51 ASP C C 13 171.741 0.02 . 1 . . . . . 332 ASP C . 50002 1 225 . 1 . 1 51 51 ASP CA C 13 52.736 0.06 . 1 . . . . . 332 ASP CA . 50002 1 226 . 1 . 1 51 51 ASP CB C 13 41.582 0.03 . 1 . . . . . 332 ASP CB . 50002 1 227 . 1 . 1 51 51 ASP N N 15 127.998 0.05 . 1 . . . . . 332 ASP N . 50002 1 228 . 1 . 1 52 52 TYR H H 1 7.871 0.00 . 1 . . . . . 333 TYR H . 50002 1 229 . 1 . 1 52 52 TYR C C 13 170.437 0.00 . 1 . . . . . 333 TYR C . 50002 1 230 . 1 . 1 52 52 TYR CA C 13 57.937 0.00 . 1 . . . . . 333 TYR CA . 50002 1 231 . 1 . 1 52 52 TYR CB C 13 42.338 0.00 . 1 . . . . . 333 TYR CB . 50002 1 232 . 1 . 1 52 52 TYR N N 15 124.665 0.04 . 1 . . . . . 333 TYR N . 50002 1 233 . 1 . 1 53 53 ARG H H 1 8.672 0.00 . 1 . . . . . 334 ARG H . 50002 1 234 . 1 . 1 53 53 ARG CA C 13 57.324 0.00 . 1 . . . . . 334 ARG CA . 50002 1 235 . 1 . 1 53 53 ARG N N 15 116.727 0.01 . 1 . . . . . 334 ARG N . 50002 1 236 . 1 . 1 54 54 LYS H H 1 8.304 0.54 . 1 . . . . . 335 LYS H . 50002 1 237 . 1 . 1 54 54 LYS CA C 13 54.203 0.00 . 1 . . . . . 335 LYS CA . 50002 1 238 . 1 . 1 54 54 LYS N N 15 123.284 1.74 . 1 . . . . . 335 LYS N . 50002 1 239 . 1 . 1 55 55 ASP H H 1 9.044 0.00 . 1 . . . . . 336 ASP H . 50002 1 240 . 1 . 1 55 55 ASP CA C 13 57.134 0.08 . 1 . . . . . 336 ASP CA . 50002 1 241 . 1 . 1 55 55 ASP N N 15 123.940 0.00 . 1 . . . . . 336 ASP N . 50002 1 242 . 1 . 1 56 56 GLU H H 1 7.915 0.01 . 1 . . . . . 337 GLU H . 50002 1 243 . 1 . 1 56 56 GLU CA C 13 58.936 0.01 . 1 . . . . . 337 GLU CA . 50002 1 244 . 1 . 1 56 56 GLU N N 15 118.772 0.03 . 1 . . . . . 337 GLU N . 50002 1 245 . 1 . 1 57 57 THR H H 1 7.853 0.00 . 1 . . . . . 338 THR H . 50002 1 246 . 1 . 1 57 57 THR CA C 13 60.828 0.10 . 1 . . . . . 338 THR CA . 50002 1 247 . 1 . 1 57 57 THR CB C 13 69.367 0.00 . 1 . . . . . 338 THR CB . 50002 1 248 . 1 . 1 57 57 THR CG2 C 13 21.630 0.04 . 1 . . . . . 338 THR CG . 50002 1 249 . 1 . 1 57 57 THR N N 15 109.346 0.00 . 1 . . . . . 338 THR N . 50002 1 250 . 1 . 1 58 58 GLU H H 1 7.230 0.01 . 1 . . . . . 339 GLU H . 50002 1 251 . 1 . 1 58 58 GLU C C 13 171.281 0.03 . 1 . . . . . 339 GLU C . 50002 1 252 . 1 . 1 58 58 GLU CA C 13 53.383 0.10 . 1 . . . . . 339 GLU CA . 50002 1 253 . 1 . 1 58 58 GLU CB C 13 33.960 0.00 . 1 . . . . . 339 GLU CB . 50002 1 254 . 1 . 1 58 58 GLU N N 15 118.026 0.07 . 1 . . . . . 339 GLU N . 50002 1 255 . 1 . 1 59 59 ALA H H 1 8.779 0.00 . 1 . . . . . 340 ALA H . 50002 1 256 . 1 . 1 59 59 ALA C C 13 172.800 0.02 . 1 . . . . . 340 ALA C . 50002 1 257 . 1 . 1 59 59 ALA CA C 13 50.366 0.04 . 1 . . . . . 340 ALA CA . 50002 1 258 . 1 . 1 59 59 ALA CB C 13 24.038 0.04 . 1 . . . . . 340 ALA CB . 50002 1 259 . 1 . 1 59 59 ALA N N 15 120.261 0.06 . 1 . . . . . 340 ALA N . 50002 1 260 . 1 . 1 60 60 ILE H H 1 8.648 0.01 . 1 . . . . . 341 ILE H . 50002 1 261 . 1 . 1 60 60 ILE C C 13 171.643 0.01 . 1 . . . . . 341 ILE C . 50002 1 262 . 1 . 1 60 60 ILE CA C 13 61.214 0.03 . 1 . . . . . 341 ILE CA . 50002 1 263 . 1 . 1 60 60 ILE CB C 13 40.366 0.09 . 1 . . . . . 341 ILE CB . 50002 1 264 . 1 . 1 60 60 ILE N N 15 119.720 0.05 . 1 . . . . . 341 ILE N . 50002 1 265 . 1 . 1 61 61 ILE H H 1 9.016 0.00 . 1 . . . . . 342 ILE H . 50002 1 266 . 1 . 1 61 61 ILE C C 13 171.043 0.03 . 1 . . . . . 342 ILE C . 50002 1 267 . 1 . 1 61 61 ILE CA C 13 58.253 0.07 . 1 . . . . . 342 ILE CA . 50002 1 268 . 1 . 1 61 61 ILE CB C 13 38.261 0.04 . 1 . . . . . 342 ILE CB . 50002 1 269 . 1 . 1 61 61 ILE N N 15 127.863 0.04 . 1 . . . . . 342 ILE N . 50002 1 270 . 1 . 1 62 62 ARG H H 1 8.148 0.00 . 1 . . . . . 343 ARG H . 50002 1 271 . 1 . 1 62 62 ARG C C 13 172.351 0.03 . 1 . . . . . 343 ARG C . 50002 1 272 . 1 . 1 62 62 ARG CA C 13 54.355 0.04 . 1 . . . . . 343 ARG CA . 50002 1 273 . 1 . 1 62 62 ARG CB C 13 32.016 0.09 . 1 . . . . . 343 ARG CB . 50002 1 274 . 1 . 1 62 62 ARG CG C 13 26.917 0.00 . 1 . . . . . 343 ARG CG . 50002 1 275 . 1 . 1 62 62 ARG N N 15 125.485 0.03 . 1 . . . . . 343 ARG N . 50002 1 276 . 1 . 1 63 63 TRP H H 1 9.412 0.01 . 1 . . . . . 344 TRP H . 50002 1 277 . 1 . 1 63 63 TRP HE1 H 1 10.370 0.01 . 1 . . . . . 344 TRP HE1 . 50002 1 278 . 1 . 1 63 63 TRP C C 13 172.688 0.00 . 1 . . . . . 344 TRP C . 50002 1 279 . 1 . 1 63 63 TRP CA C 13 57.339 0.07 . 1 . . . . . 344 TRP CA . 50002 1 280 . 1 . 1 63 63 TRP CB C 13 32.413 0.17 . 1 . . . . . 344 TRP CB . 50002 1 281 . 1 . 1 63 63 TRP N N 15 129.198 0.03 . 1 . . . . . 344 TRP N . 50002 1 282 . 1 . 1 63 63 TRP NE1 N 15 130.885 0.07 . 1 . . . . . 344 TRP NE1 . 50002 1 283 . 1 . 1 64 64 LYS H H 1 7.745 0.02 . 1 . . . . . 345 LYS H . 50002 1 284 . 1 . 1 64 64 LYS C C 13 173.851 0.02 . 1 . . . . . 345 LYS C . 50002 1 285 . 1 . 1 64 64 LYS CG C 13 25.609 0.00 . 1 . . . . . 345 LYS CG . 50002 1 286 . 1 . 1 64 64 LYS CD C 13 29.771 0.00 . 1 . . . . . 345 LYS CD . 50002 1 287 . 1 . 1 64 64 LYS CE C 13 42.322 0.00 . 1 . . . . . 345 LYS CE . 50002 1 288 . 1 . 1 64 64 LYS N N 15 117.928 0.05 . 1 . . . . . 345 LYS N . 50002 1 289 . 1 . 1 65 65 THR H H 1 7.386 0.01 . 1 . . . . . 346 THR H . 50002 1 290 . 1 . 1 65 65 THR CA C 13 59.004 0.08 . 1 . . . . . 346 THR CA . 50002 1 291 . 1 . 1 65 65 THR CB C 13 70.843 0.00 . 1 . . . . . 346 THR CB . 50002 1 292 . 1 . 1 65 65 THR N N 15 104.035 0.07 . 1 . . . . . 346 THR N . 50002 1 293 . 1 . 1 66 66 PRO C C 13 176.212 0.04 . 1 . . . . . 347 PRO C . 50002 1 294 . 1 . 1 66 66 PRO CA C 13 64.666 0.14 . 1 . . . . . 347 PRO CA . 50002 1 295 . 1 . 1 66 66 PRO CB C 13 32.234 0.00 . 1 . . . . . 347 PRO CB . 50002 1 296 . 1 . 1 66 66 PRO CG C 13 27.655 0.00 . 1 . . . . . 347 PRO CG . 50002 1 297 . 1 . 1 67 67 LEU H H 1 7.786 0.00 . 1 . . . . . 348 LEU H . 50002 1 298 . 1 . 1 67 67 LEU C C 13 177.987 0.01 . 1 . . . . . 348 LEU C . 50002 1 299 . 1 . 1 67 67 LEU CA C 13 57.437 0.08 . 1 . . . . . 348 LEU CA . 50002 1 300 . 1 . 1 67 67 LEU CB C 13 41.236 0.04 . 1 . . . . . 348 LEU CB . 50002 1 301 . 1 . 1 67 67 LEU CG C 13 27.244 0.00 . 1 . . . . . 348 LEU CG . 50002 1 302 . 1 . 1 67 67 LEU CD1 C 13 25.344 0.00 . 1 . . . . . 348 LEU CD . 50002 1 303 . 1 . 1 67 67 LEU CD2 C 13 25.344 0.00 . 1 . . . . . 348 LEU CD . 50002 1 304 . 1 . 1 67 67 LEU N N 15 119.155 0.02 . 1 . . . . . 348 LEU N . 50002 1 305 . 1 . 1 68 68 HIS H H 1 7.933 0.01 . 1 . . . . . 349 HIS H . 50002 1 306 . 1 . 1 68 68 HIS C C 13 173.490 0.02 . 1 . . . . . 349 HIS C . 50002 1 307 . 1 . 1 68 68 HIS CA C 13 62.451 0.10 . 1 . . . . . 349 HIS CA . 50002 1 308 . 1 . 1 68 68 HIS CB C 13 32.170 0.04 . 1 . . . . . 349 HIS CB . 50002 1 309 . 1 . 1 68 68 HIS N N 15 121.375 0.05 . 1 . . . . . 349 HIS N . 50002 1 310 . 1 . 1 69 69 ALA H H 1 6.911 0.00 . 1 . . . . . 350 ALA H . 50002 1 311 . 1 . 1 69 69 ALA C C 13 175.864 0.02 . 1 . . . . . 350 ALA C . 50002 1 312 . 1 . 1 69 69 ALA CA C 13 55.339 0.07 . 1 . . . . . 350 ALA CA . 50002 1 313 . 1 . 1 69 69 ALA CB C 13 18.507 0.02 . 1 . . . . . 350 ALA CB . 50002 1 314 . 1 . 1 69 69 ALA N N 15 121.359 0.03 . 1 . . . . . 350 ALA N . 50002 1 315 . 1 . 1 70 70 GLU H H 1 8.220 0.00 . 1 . . . . . 351 GLU H . 50002 1 316 . 1 . 1 70 70 GLU C C 13 175.651 0.01 . 1 . . . . . 351 GLU C . 50002 1 317 . 1 . 1 70 70 GLU CA C 13 59.362 0.08 . 1 . . . . . 351 GLU CA . 50002 1 318 . 1 . 1 70 70 GLU CB C 13 29.909 0.02 . 1 . . . . . 351 GLU CB . 50002 1 319 . 1 . 1 70 70 GLU CG C 13 35.857 0.00 . 1 . . . . . 351 GLU CG . 50002 1 320 . 1 . 1 70 70 GLU N N 15 117.743 0.04 . 1 . . . . . 351 GLU N . 50002 1 321 . 1 . 1 71 71 THR H H 1 7.864 0.00 . 1 . . . . . 352 THR H . 50002 1 322 . 1 . 1 71 71 THR C C 13 171.853 0.01 . 1 . . . . . 352 THR C . 50002 1 323 . 1 . 1 71 71 THR CA C 13 67.127 0.15 . 1 . . . . . 352 THR CA . 50002 1 324 . 1 . 1 71 71 THR CB C 13 67.833 0.08 . 1 . . . . . 352 THR CB . 50002 1 325 . 1 . 1 71 71 THR CG2 C 13 19.667 0.00 . 1 . . . . . 352 THR CG . 50002 1 326 . 1 . 1 71 71 THR N N 15 116.429 0.02 . 1 . . . . . 352 THR N . 50002 1 327 . 1 . 1 72 72 CYS H H 1 7.529 0.00 . 1 . . . . . 353 CYS H . 50002 1 328 . 1 . 1 72 72 CYS C C 13 172.595 0.03 . 1 . . . . . 353 CYS C . 50002 1 329 . 1 . 1 72 72 CYS CA C 13 62.349 0.09 . 1 . . . . . 353 CYS CA . 50002 1 330 . 1 . 1 72 72 CYS CB C 13 25.785 0.04 . 1 . . . . . 353 CYS CB . 50002 1 331 . 1 . 1 72 72 CYS N N 15 120.819 0.05 . 1 . . . . . 353 CYS N . 50002 1 332 . 1 . 1 73 73 ILE H H 1 7.815 0.00 . 1 . . . . . 354 ILE H . 50002 1 333 . 1 . 1 73 73 ILE C C 13 176.288 0.00 . 1 . . . . . 354 ILE C . 50002 1 334 . 1 . 1 73 73 ILE CA C 13 64.878 0.09 . 1 . . . . . 354 ILE CA . 50002 1 335 . 1 . 1 73 73 ILE CB C 13 37.205 0.08 . 1 . . . . . 354 ILE CB . 50002 1 336 . 1 . 1 73 73 ILE N N 15 117.080 0.04 . 1 . . . . . 354 ILE N . 50002 1 337 . 1 . 1 74 74 ASN H H 1 8.449 0.00 . 1 . . . . . 355 ASN H . 50002 1 338 . 1 . 1 74 74 ASN C C 13 174.905 0.00 . 1 . . . . . 355 ASN C . 50002 1 339 . 1 . 1 74 74 ASN CA C 13 56.160 0.02 . 1 . . . . . 355 ASN CA . 50002 1 340 . 1 . 1 74 74 ASN CB C 13 37.868 0.04 . 1 . . . . . 355 ASN CB . 50002 1 341 . 1 . 1 74 74 ASN N N 15 118.402 0.04 . 1 . . . . . 355 ASN N . 50002 1 342 . 1 . 1 75 75 ALA H H 1 8.526 0.01 . 1 . . . . . 356 ALA H . 50002 1 343 . 1 . 1 75 75 ALA CA C 13 54.903 0.00 . 1 . . . . . 356 ALA CA . 50002 1 344 . 1 . 1 75 75 ALA N N 15 123.712 0.03 . 1 . . . . . 356 ALA N . 50002 1 345 . 1 . 1 76 76 PHE H H 1 8.373 0.00 . 1 . . . . . 357 PHE H . 50002 1 346 . 1 . 1 76 76 PHE CA C 13 55.691 0.00 . 1 . . . . . 357 PHE CA . 50002 1 347 . 1 . 1 76 76 PHE N N 15 121.102 0.01 . 1 . . . . . 357 PHE N . 50002 1 348 . 1 . 1 77 77 ARG H H 1 7.948 0.00 . 1 . . . . . 358 ARG H . 50002 1 349 . 1 . 1 77 77 ARG CA C 13 60.753 0.07 . 1 . . . . . 358 ARG CA . 50002 1 350 . 1 . 1 77 77 ARG N N 15 111.721 0.00 . 1 . . . . . 358 ARG N . 50002 1 351 . 1 . 1 78 78 THR H H 1 8.262 0.00 . 1 . . . . . 359 THR H . 50002 1 352 . 1 . 1 78 78 THR CA C 13 63.041 0.00 . 1 . . . . . 359 THR CA . 50002 1 353 . 1 . 1 78 78 THR N N 15 116.553 0.01 . 1 . . . . . 359 THR N . 50002 1 354 . 1 . 1 80 80 GLU H H 1 8.208 0.00 . 1 . . . . . 361 GLU H . 50002 1 355 . 1 . 1 80 80 GLU CA C 13 59.080 0.00 . 1 . . . . . 361 GLU CA . 50002 1 356 . 1 . 1 80 80 GLU N N 15 121.385 0.00 . 1 . . . . . 361 GLU N . 50002 1 357 . 1 . 1 81 81 ARG H H 1 8.857 0.00 . 1 . . . . . 362 ARG H . 50002 1 358 . 1 . 1 81 81 ARG CA C 13 56.362 0.05 . 1 . . . . . 362 ARG CA . 50002 1 359 . 1 . 1 81 81 ARG N N 15 124.089 0.00 . 1 . . . . . 362 ARG N . 50002 1 360 . 1 . 1 82 82 LYS H H 1 7.719 0.01 . 1 . . . . . 363 LYS H . 50002 1 361 . 1 . 1 82 82 LYS CA C 13 59.706 0.01 . 1 . . . . . 363 LYS CA . 50002 1 362 . 1 . 1 82 82 LYS N N 15 121.001 0.10 . 1 . . . . . 363 LYS N . 50002 1 363 . 1 . 1 83 83 GLN H H 1 8.027 0.00 . 1 . . . . . 364 GLN H . 50002 1 364 . 1 . 1 83 83 GLN N N 15 124.953 0.00 . 1 . . . . . 364 GLN N . 50002 1 365 . 1 . 1 85 85 SER H H 1 8.550 0.00 . 1 . . . . . 366 SER H . 50002 1 366 . 1 . 1 85 85 SER CA C 13 61.311 0.05 . 1 . . . . . 366 SER CA . 50002 1 367 . 1 . 1 85 85 SER N N 15 119.885 0.00 . 1 . . . . . 366 SER N . 50002 1 368 . 1 . 1 86 86 HIS H H 1 8.496 0.00 . 1 . . . . . 367 HIS H . 50002 1 369 . 1 . 1 86 86 HIS N N 15 114.761 0.00 . 1 . . . . . 367 HIS N . 50002 1 370 . 1 . 1 87 87 ASP H H 1 8.402 0.00 . 1 . . . . . 368 ASP H . 50002 1 371 . 1 . 1 87 87 ASP CA C 13 54.530 0.02 . 1 . . . . . 368 ASP CA . 50002 1 372 . 1 . 1 87 87 ASP N N 15 120.355 0.00 . 1 . . . . . 368 ASP N . 50002 1 373 . 1 . 1 88 88 ASP H H 1 9.650 0.00 . 1 . . . . . 369 ASP H . 50002 1 374 . 1 . 1 88 88 ASP N N 15 127.819 0.00 . 1 . . . . . 369 ASP N . 50002 1 375 . 1 . 1 89 89 ILE CA C 13 62.755 0.00 . 1 . . . . . 370 ILE CA . 50002 1 376 . 1 . 1 90 90 ARG H H 1 7.864 0.00 . 1 . . . . . 371 ARG H . 50002 1 377 . 1 . 1 90 90 ARG CA C 13 57.655 0.00 . 1 . . . . . 371 ARG CA . 50002 1 378 . 1 . 1 90 90 ARG N N 15 113.373 0.00 . 1 . . . . . 371 ARG N . 50002 1 379 . 1 . 1 91 91 ALA H H 1 8.864 0.01 . 1 . . . . . 372 ALA H . 50002 1 380 . 1 . 1 91 91 ALA CA C 13 53.673 1.40 . 1 . . . . . 372 ALA CA . 50002 1 381 . 1 . 1 91 91 ALA CB C 13 18.403 0.01 . 1 . . . . . 372 ALA CB . 50002 1 382 . 1 . 1 91 91 ALA N N 15 119.448 0.08 . 1 . . . . . 372 ALA N . 50002 1 383 . 1 . 1 92 92 HIS H H 1 8.200 0.00 . 1 . . . . . 373 HIS H . 50002 1 384 . 1 . 1 92 92 HIS CA C 13 56.189 0.00 . 1 . . . . . 373 HIS CA . 50002 1 385 . 1 . 1 92 92 HIS CB C 13 29.797 0.00 . 1 . . . . . 373 HIS CB . 50002 1 386 . 1 . 1 92 92 HIS N N 15 115.309 0.03 . 1 . . . . . 373 HIS N . 50002 1 387 . 1 . 1 93 93 ARG H H 1 8.518 0.00 . 1 . . . . . 374 ARG H . 50002 1 388 . 1 . 1 93 93 ARG CA C 13 54.697 0.00 . 1 . . . . . 374 ARG CA . 50002 1 389 . 1 . 1 93 93 ARG N N 15 126.165 0.00 . 1 . . . . . 374 ARG N . 50002 1 390 . 1 . 1 94 94 LYS H H 1 7.500 0.00 . 1 . . . . . 375 LYS H . 50002 1 391 . 1 . 1 94 94 LYS CA C 13 55.329 0.00 . 1 . . . . . 375 LYS CA . 50002 1 392 . 1 . 1 94 94 LYS N N 15 119.356 0.04 . 1 . . . . . 375 LYS N . 50002 1 393 . 1 . 1 95 95 LYS H H 1 7.831 0.00 . 1 . . . . . 376 LYS H . 50002 1 394 . 1 . 1 95 95 LYS CA C 13 55.172 0.00 . 1 . . . . . 376 LYS CA . 50002 1 395 . 1 . 1 95 95 LYS N N 15 119.733 0.00 . 1 . . . . . 376 LYS N . 50002 1 396 . 1 . 1 96 96 GLY CA C 13 45.305 0.08 . 1 . . . . . 377 GLY CA . 50002 1 397 . 1 . 1 97 97 SER H H 1 7.900 0.00 . 1 . . . . . 378 SER H . 50002 1 398 . 1 . 1 97 97 SER CA C 13 59.257 0.02 . 1 . . . . . 378 SER CA . 50002 1 399 . 1 . 1 97 97 SER CB C 13 64.329 0.03 . 1 . . . . . 378 SER CB . 50002 1 400 . 1 . 1 97 97 SER N N 15 116.112 0.01 . 1 . . . . . 378 SER N . 50002 1 401 . 1 . 1 98 98 SER H H 1 8.634 0.00 . 1 . . . . . 379 SER H . 50002 1 402 . 1 . 1 98 98 SER CA C 13 57.703 0.02 . 1 . . . . . 379 SER CA . 50002 1 403 . 1 . 1 98 98 SER N N 15 118.445 0.02 . 1 . . . . . 379 SER N . 50002 1 404 . 1 . 1 99 99 ARG H H 1 8.891 0.00 . 1 . . . . . 380 ARG H . 50002 1 405 . 1 . 1 99 99 ARG CA C 13 56.538 0.00 . 1 . . . . . 380 ARG CA . 50002 1 406 . 1 . 1 99 99 ARG N N 15 126.093 0.00 . 1 . . . . . 380 ARG N . 50002 1 407 . 1 . 1 102 102 LEU C C 13 174.304 0.02 . 1 . . . . . 383 LEU C . 50002 1 408 . 1 . 1 103 103 ILE H H 1 7.640 0.17 . 1 . . . . . 384 ILE H . 50002 1 409 . 1 . 1 103 103 ILE C C 13 170.544 0.02 . 1 . . . . . 384 ILE C . 50002 1 410 . 1 . 1 103 103 ILE CA C 13 59.688 0.07 . 1 . . . . . 384 ILE CA . 50002 1 411 . 1 . 1 103 103 ILE CB C 13 43.324 0.00 . 1 . . . . . 384 ILE CB . 50002 1 412 . 1 . 1 103 103 ILE CG1 C 13 27.208 0.00 . 1 . . . . . 384 ILE CG1 . 50002 1 413 . 1 . 1 103 103 ILE N N 15 121.316 0.09 . 1 . . . . . 384 ILE N . 50002 1 414 . 1 . 1 104 104 ALA H H 1 8.217 0.00 . 1 . . . . . 385 ALA H . 50002 1 415 . 1 . 1 104 104 ALA C C 13 173.217 0.02 . 1 . . . . . 385 ALA C . 50002 1 416 . 1 . 1 104 104 ALA CA C 13 49.550 0.07 . 1 . . . . . 385 ALA CA . 50002 1 417 . 1 . 1 104 104 ALA CB C 13 23.752 0.07 . 1 . . . . . 385 ALA CB . 50002 1 418 . 1 . 1 104 104 ALA N N 15 125.812 0.03 . 1 . . . . . 385 ALA N . 50002 1 419 . 1 . 1 105 105 GLU H H 1 9.064 0.01 . 1 . . . . . 386 GLU H . 50002 1 420 . 1 . 1 105 105 GLU C C 13 171.815 0.01 . 1 . . . . . 386 GLU C . 50002 1 421 . 1 . 1 105 105 GLU CA C 13 53.845 0.11 . 1 . . . . . 386 GLU CA . 50002 1 422 . 1 . 1 105 105 GLU CB C 13 33.765 0.18 . 1 . . . . . 386 GLU CB . 50002 1 423 . 1 . 1 105 105 GLU CG C 13 35.293 0.00 . 1 . . . . . 386 GLU CG . 50002 1 424 . 1 . 1 105 105 GLU N N 15 119.648 0.06 . 1 . . . . . 386 GLU N . 50002 1 425 . 1 . 1 106 106 LEU H H 1 9.042 0.01 . 1 . . . . . 387 LEU H . 50002 1 426 . 1 . 1 106 106 LEU C C 13 174.569 0.02 . 1 . . . . . 387 LEU C . 50002 1 427 . 1 . 1 106 106 LEU CA C 13 55.158 0.08 . 1 . . . . . 387 LEU CA . 50002 1 428 . 1 . 1 106 106 LEU CB C 13 43.371 0.03 . 1 . . . . . 387 LEU CB . 50002 1 429 . 1 . 1 106 106 LEU N N 15 126.378 0.04 . 1 . . . . . 387 LEU N . 50002 1 430 . 1 . 1 107 107 ILE H H 1 8.051 0.00 . 1 . . . . . 388 ILE H . 50002 1 431 . 1 . 1 107 107 ILE C C 13 171.830 0.01 . 1 . . . . . 388 ILE C . 50002 1 432 . 1 . 1 107 107 ILE CA C 13 61.579 0.08 . 1 . . . . . 388 ILE CA . 50002 1 433 . 1 . 1 107 107 ILE CB C 13 37.347 0.09 . 1 . . . . . 388 ILE CB . 50002 1 434 . 1 . 1 107 107 ILE N N 15 128.182 0.02 . 1 . . . . . 388 ILE N . 50002 1 435 . 1 . 1 108 108 THR H H 1 8.641 0.00 . 1 . . . . . 389 THR H . 50002 1 436 . 1 . 1 108 108 THR HA H 1 4.776 0.00 . 1 . . . . . 389 THR HA . 50002 1 437 . 1 . 1 108 108 THR HB H 1 3.976 0.00 . 1 . . . . . 389 THR HB . 50002 1 438 . 1 . 1 108 108 THR C C 13 173.183 0.01 . 1 . . . . . 389 THR C . 50002 1 439 . 1 . 1 108 108 THR CA C 13 60.126 0.07 . 1 . . . . . 389 THR CA . 50002 1 440 . 1 . 1 108 108 THR CB C 13 71.785 0.05 . 1 . . . . . 389 THR CB . 50002 1 441 . 1 . 1 108 108 THR CG2 C 13 20.205 0.00 . 1 . . . . . 389 THR CG . 50002 1 442 . 1 . 1 108 108 THR N N 15 118.242 0.02 . 1 . . . . . 389 THR N . 50002 1 443 . 1 . 1 109 109 GLY H H 1 8.532 0.00 . 1 . . . . . 390 GLY H . 50002 1 444 . 1 . 1 109 109 GLY HA2 H 1 3.759 0.00 . 1 . . . . . 390 GLY HA . 50002 1 445 . 1 . 1 109 109 GLY HA3 H 1 3.759 0.00 . 1 . . . . . 390 GLY HA . 50002 1 446 . 1 . 1 109 109 GLY C C 13 173.666 0.02 . 1 . . . . . 390 GLY C . 50002 1 447 . 1 . 1 109 109 GLY CA C 13 46.603 0.09 . 1 . . . . . 390 GLY CA . 50002 1 448 . 1 . 1 109 109 GLY N N 15 107.492 0.04 . 1 . . . . . 390 GLY N . 50002 1 449 . 1 . 1 110 110 GLU H H 1 9.155 0.01 . 1 . . . . . 391 GLU H . 50002 1 450 . 1 . 1 110 110 GLU C C 13 175.316 0.02 . 1 . . . . . 391 GLU C . 50002 1 451 . 1 . 1 110 110 GLU CA C 13 58.890 0.08 . 1 . . . . . 391 GLU CA . 50002 1 452 . 1 . 1 110 110 GLU CB C 13 29.346 0.01 . 1 . . . . . 391 GLU CB . 50002 1 453 . 1 . 1 110 110 GLU N N 15 126.607 0.04 . 1 . . . . . 391 GLU N . 50002 1 454 . 1 . 1 111 111 GLU H H 1 8.653 0.01 . 1 . . . . . 392 GLU H . 50002 1 455 . 1 . 1 111 111 GLU C C 13 176.295 0.03 . 1 . . . . . 392 GLU C . 50002 1 456 . 1 . 1 111 111 GLU CA C 13 59.899 0.04 . 1 . . . . . 392 GLU CA . 50002 1 457 . 1 . 1 111 111 GLU CB C 13 29.260 0.04 . 1 . . . . . 392 GLU CB . 50002 1 458 . 1 . 1 111 111 GLU CG C 13 36.631 0.00 . 1 . . . . . 392 GLU CG . 50002 1 459 . 1 . 1 111 111 GLU N N 15 120.112 0.04 . 1 . . . . . 392 GLU N . 50002 1 460 . 1 . 1 112 112 GLU H H 1 7.053 0.01 . 1 . . . . . 393 GLU H . 50002 1 461 . 1 . 1 112 112 GLU C C 13 174.037 0.02 . 1 . . . . . 393 GLU C . 50002 1 462 . 1 . 1 112 112 GLU CA C 13 58.922 0.08 . 1 . . . . . 393 GLU CA . 50002 1 463 . 1 . 1 112 112 GLU CB C 13 30.296 0.08 . 1 . . . . . 393 GLU CB . 50002 1 464 . 1 . 1 112 112 GLU CG C 13 37.285 0.00 . 1 . . . . . 393 GLU CG . 50002 1 465 . 1 . 1 112 112 GLU N N 15 121.099 0.04 . 1 . . . . . 393 GLU N . 50002 1 466 . 1 . 1 113 113 LYS H H 1 7.668 0.00 . 1 . . . . . 394 LYS H . 50002 1 467 . 1 . 1 113 113 LYS C C 13 176.083 0.02 . 1 . . . . . 394 LYS C . 50002 1 468 . 1 . 1 113 113 LYS CA C 13 60.201 0.08 . 1 . . . . . 394 LYS CA . 50002 1 469 . 1 . 1 113 113 LYS CB C 13 32.485 0.06 . 1 . . . . . 394 LYS CB . 50002 1 470 . 1 . 1 113 113 LYS N N 15 118.271 0.03 . 1 . . . . . 394 LYS N . 50002 1 471 . 1 . 1 114 114 ASN H H 1 8.663 0.00 . 1 . . . . . 395 ASN H . 50002 1 472 . 1 . 1 114 114 ASN C C 13 174.205 0.01 . 1 . . . . . 395 ASN C . 50002 1 473 . 1 . 1 114 114 ASN CA C 13 55.933 0.04 . 1 . . . . . 395 ASN CA . 50002 1 474 . 1 . 1 114 114 ASN CB C 13 37.947 0.06 . 1 . . . . . 395 ASN CB . 50002 1 475 . 1 . 1 114 114 ASN N N 15 116.246 0.06 . 1 . . . . . 395 ASN N . 50002 1 476 . 1 . 1 115 115 TYR H H 1 7.910 0.02 . 1 . . . . . 396 TYR H . 50002 1 477 . 1 . 1 115 115 TYR C C 13 175.456 0.01 . 1 . . . . . 396 TYR C . 50002 1 478 . 1 . 1 115 115 TYR CA C 13 62.245 0.09 . 1 . . . . . 396 TYR CA . 50002 1 479 . 1 . 1 115 115 TYR CB C 13 37.782 0.00 . 1 . . . . . 396 TYR CB . 50002 1 480 . 1 . 1 115 115 TYR N N 15 122.190 0.05 . 1 . . . . . 396 TYR N . 50002 1 481 . 1 . 1 116 116 TRP H H 1 7.472 0.00 . 1 . . . . . 397 TRP H . 50002 1 482 . 1 . 1 116 116 TRP HE1 H 1 10.559 0.10 . 1 . . . . . 397 TRP HE1 . 50002 1 483 . 1 . 1 116 116 TRP C C 13 176.253 0.03 . 1 . . . . . 397 TRP C . 50002 1 484 . 1 . 1 116 116 TRP CA C 13 60.553 0.10 . 1 . . . . . 397 TRP CA . 50002 1 485 . 1 . 1 116 116 TRP CB C 13 29.066 0.05 . 1 . . . . . 397 TRP CB . 50002 1 486 . 1 . 1 116 116 TRP N N 15 117.553 0.05 . 1 . . . . . 397 TRP N . 50002 1 487 . 1 . 1 116 116 TRP NE1 N 15 129.106 0.02 . 1 . . . . . 397 TRP NE1 . 50002 1 488 . 1 . 1 117 117 ARG H H 1 8.263 0.01 . 1 . . . . . 398 ARG H . 50002 1 489 . 1 . 1 117 117 ARG C C 13 175.800 0.01 . 1 . . . . . 398 ARG C . 50002 1 490 . 1 . 1 117 117 ARG CA C 13 59.336 0.09 . 1 . . . . . 398 ARG CA . 50002 1 491 . 1 . 1 117 117 ARG CB C 13 30.246 0.07 . 1 . . . . . 398 ARG CB . 50002 1 492 . 1 . 1 117 117 ARG CD C 13 43.414 0.00 . 1 . . . . . 398 ARG CD . 50002 1 493 . 1 . 1 117 117 ARG N N 15 120.067 0.02 . 1 . . . . . 398 ARG N . 50002 1 494 . 1 . 1 118 118 MET H H 1 7.491 0.00 . 1 . . . . . 399 MET H . 50002 1 495 . 1 . 1 118 118 MET C C 13 174.384 0.01 . 1 . . . . . 399 MET C . 50002 1 496 . 1 . 1 118 118 MET CA C 13 56.347 0.09 . 1 . . . . . 399 MET CA . 50002 1 497 . 1 . 1 118 118 MET CB C 13 31.773 0.15 . 1 . . . . . 399 MET CB . 50002 1 498 . 1 . 1 118 118 MET N N 15 115.912 0.04 . 1 . . . . . 399 MET N . 50002 1 499 . 1 . 1 119 119 LEU H H 1 7.257 0.00 . 1 . . . . . 400 LEU H . 50002 1 500 . 1 . 1 119 119 LEU C C 13 174.827 0.02 . 1 . . . . . 400 LEU C . 50002 1 501 . 1 . 1 119 119 LEU CA C 13 55.894 0.06 . 1 . . . . . 400 LEU CA . 50002 1 502 . 1 . 1 119 119 LEU CB C 13 42.255 0.03 . 1 . . . . . 400 LEU CB . 50002 1 503 . 1 . 1 119 119 LEU N N 15 119.928 0.04 . 1 . . . . . 400 LEU N . 50002 1 504 . 1 . 1 120 120 LYS H H 1 7.660 0.01 . 1 . . . . . 401 LYS H . 50002 1 505 . 1 . 1 120 120 LYS C C 13 172.675 0.02 . 1 . . . . . 401 LYS C . 50002 1 506 . 1 . 1 120 120 LYS CA C 13 56.816 0.73 . 1 . . . . . 401 LYS CA . 50002 1 507 . 1 . 1 120 120 LYS CB C 13 32.579 0.01 . 1 . . . . . 401 LYS CB . 50002 1 508 . 1 . 1 120 120 LYS N N 15 120.854 0.05 . 1 . . . . . 401 LYS N . 50002 1 509 . 1 . 1 121 121 LYS H H 1 7.728 0.00 . 1 . . . . . 402 LYS H . 50002 1 510 . 1 . 1 121 121 LYS C C 13 173.500 0.00 . 1 . . . . . 402 LYS C . 50002 1 511 . 1 . 1 121 121 LYS CA C 13 57.971 0.01 . 1 . . . . . 402 LYS CA . 50002 1 512 . 1 . 1 121 121 LYS CB C 13 33.437 0.00 . 1 . . . . . 402 LYS CB . 50002 1 513 . 1 . 1 121 121 LYS N N 15 127.809 0.04 . 1 . . . . . 402 LYS N . 50002 1 stop_ save_