data_50102 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50102 _Entry.Title ; Nipah virus phosphoprotein residues 299-401 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-11-29 _Entry.Accession_date 2019-11-29 _Entry.Last_release_date 2019-12-02 _Entry.Original_release_date 2019-12-02 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.1.31 _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 Malene Jensen . . . . 50102 2 Martin Blackledge . . . . 50102 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Institut de Biologie Structurale, Grenoble, France' . 50102 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50102 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 292 50102 '15N chemical shifts' 89 50102 '1H chemical shifts' 89 50102 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 2 . . 2020-05-29 2019-11-29 update BMRB 'update entry citation' 50102 1 . . 2020-01-10 2019-11-29 original author 'original release' 50102 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50098 'Nipah virus phosphoprotein residues 1-100' 50102 BMRB 50099 'Nipah virus phosphoprotein residues 91-190' 50102 BMRB 50100 'Nipah virus phosphoprotein residues 173-240' 50102 BMRB 50101 'Nipah virus phosphoprotein residues 223-319' 50102 BMRB 50103 'Nipah virus phosphoprotein residues 387-479' 50102 BMRB 50105 'Nipah virus phosphoprotein residues 588-650' 50102 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50102 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32348724 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural Description of the Nipah Virus Phosphoprotein and Its Interaction With STAT1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full 'Biophysical journal' _Citation.Journal_volume 118 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1542-0086 _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 2470 _Citation.Page_last 2488 _Citation.Year 2020 _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 'Malene Ringkjybing' Jensen M. R. . . 50102 1 2 Filip Yabukarski F. . . . 50102 1 3 Guillaume Communie G. . . . 50102 1 4 Eric Condamine E. . . . 50102 1 5 Caroline Mas C. . . . 50102 1 6 Valentina Volchkova V. . . . 50102 1 7 Nicolas Tarbouriech N. . . . 50102 1 8 Jean-Marie Bourhis J. M. . . 50102 1 9 Viktor Volchkov V. . . . 50102 1 10 Martin Blackledge M. . . . 50102 1 11 Marc Jamin M. . . . 50102 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50102 _Assembly.ID 1 _Assembly.Name 'Nipah virus phosphoprotein residues 299-401' _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 'Nipah virus phosphoprotein' 1 $entity_1 . . yes native no no . . . 50102 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50102 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Nipah virus phosphoprotein residues 299-401' _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 ; MDNKSTDVPGAGPKDSAVKE EPPQKRLPMLAEEFECSGSE DPIIRELLKENSLINCQQGK DAQPPYHWSIERSISPDKTE IVNGAVQTADRQRPGTPMPK SRGLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _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 111 _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 1 299 MET . 50102 1 2 300 ASP . 50102 1 3 301 ASN . 50102 1 4 302 LYS . 50102 1 5 303 SER . 50102 1 6 304 THR . 50102 1 7 305 ASP . 50102 1 8 306 VAL . 50102 1 9 307 PRO . 50102 1 10 308 GLY . 50102 1 11 309 ALA . 50102 1 12 310 GLY . 50102 1 13 311 PRO . 50102 1 14 312 LYS . 50102 1 15 313 ASP . 50102 1 16 314 SER . 50102 1 17 315 ALA . 50102 1 18 316 VAL . 50102 1 19 317 LYS . 50102 1 20 318 GLU . 50102 1 21 319 GLU . 50102 1 22 320 PRO . 50102 1 23 321 PRO . 50102 1 24 322 GLN . 50102 1 25 323 LYS . 50102 1 26 324 ARG . 50102 1 27 325 LEU . 50102 1 28 326 PRO . 50102 1 29 327 MET . 50102 1 30 328 LEU . 50102 1 31 329 ALA . 50102 1 32 330 GLU . 50102 1 33 331 GLU . 50102 1 34 332 PHE . 50102 1 35 333 GLU . 50102 1 36 334 CYS . 50102 1 37 335 SER . 50102 1 38 336 GLY . 50102 1 39 337 SER . 50102 1 40 338 GLU . 50102 1 41 339 ASP . 50102 1 42 340 PRO . 50102 1 43 341 ILE . 50102 1 44 342 ILE . 50102 1 45 343 ARG . 50102 1 46 344 GLU . 50102 1 47 345 LEU . 50102 1 48 346 LEU . 50102 1 49 347 LYS . 50102 1 50 348 GLU . 50102 1 51 349 ASN . 50102 1 52 350 SER . 50102 1 53 351 LEU . 50102 1 54 352 ILE . 50102 1 55 353 ASN . 50102 1 56 354 CYS . 50102 1 57 355 GLN . 50102 1 58 356 GLN . 50102 1 59 357 GLY . 50102 1 60 358 LYS . 50102 1 61 359 ASP . 50102 1 62 360 ALA . 50102 1 63 361 GLN . 50102 1 64 362 PRO . 50102 1 65 363 PRO . 50102 1 66 364 TYR . 50102 1 67 365 HIS . 50102 1 68 366 TRP . 50102 1 69 367 SER . 50102 1 70 368 ILE . 50102 1 71 369 GLU . 50102 1 72 370 ARG . 50102 1 73 371 SER . 50102 1 74 372 ILE . 50102 1 75 373 SER . 50102 1 76 374 PRO . 50102 1 77 375 ASP . 50102 1 78 376 LYS . 50102 1 79 377 THR . 50102 1 80 378 GLU . 50102 1 81 379 ILE . 50102 1 82 380 VAL . 50102 1 83 381 ASN . 50102 1 84 382 GLY . 50102 1 85 383 ALA . 50102 1 86 384 VAL . 50102 1 87 385 GLN . 50102 1 88 386 THR . 50102 1 89 387 ALA . 50102 1 90 388 ASP . 50102 1 91 389 ARG . 50102 1 92 390 GLN . 50102 1 93 391 ARG . 50102 1 94 392 PRO . 50102 1 95 393 GLY . 50102 1 96 394 THR . 50102 1 97 395 PRO . 50102 1 98 396 MET . 50102 1 99 397 PRO . 50102 1 100 398 LYS . 50102 1 101 399 SER . 50102 1 102 400 ARG . 50102 1 103 401 GLY . 50102 1 104 402 LEU . 50102 1 105 403 GLU . 50102 1 106 404 HIS . 50102 1 107 405 HIS . 50102 1 108 406 HIS . 50102 1 109 407 HIS . 50102 1 110 408 HIS . 50102 1 111 409 HIS . 50102 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 . MET 1 1 50102 1 . ASP 2 2 50102 1 . ASN 3 3 50102 1 . LYS 4 4 50102 1 . SER 5 5 50102 1 . THR 6 6 50102 1 . ASP 7 7 50102 1 . VAL 8 8 50102 1 . PRO 9 9 50102 1 . GLY 10 10 50102 1 . ALA 11 11 50102 1 . GLY 12 12 50102 1 . PRO 13 13 50102 1 . LYS 14 14 50102 1 . ASP 15 15 50102 1 . SER 16 16 50102 1 . ALA 17 17 50102 1 . VAL 18 18 50102 1 . LYS 19 19 50102 1 . GLU 20 20 50102 1 . GLU 21 21 50102 1 . PRO 22 22 50102 1 . PRO 23 23 50102 1 . GLN 24 24 50102 1 . LYS 25 25 50102 1 . ARG 26 26 50102 1 . LEU 27 27 50102 1 . PRO 28 28 50102 1 . MET 29 29 50102 1 . LEU 30 30 50102 1 . ALA 31 31 50102 1 . GLU 32 32 50102 1 . GLU 33 33 50102 1 . PHE 34 34 50102 1 . GLU 35 35 50102 1 . CYS 36 36 50102 1 . SER 37 37 50102 1 . GLY 38 38 50102 1 . SER 39 39 50102 1 . GLU 40 40 50102 1 . ASP 41 41 50102 1 . PRO 42 42 50102 1 . ILE 43 43 50102 1 . ILE 44 44 50102 1 . ARG 45 45 50102 1 . GLU 46 46 50102 1 . LEU 47 47 50102 1 . LEU 48 48 50102 1 . LYS 49 49 50102 1 . GLU 50 50 50102 1 . ASN 51 51 50102 1 . SER 52 52 50102 1 . LEU 53 53 50102 1 . ILE 54 54 50102 1 . ASN 55 55 50102 1 . CYS 56 56 50102 1 . GLN 57 57 50102 1 . GLN 58 58 50102 1 . GLY 59 59 50102 1 . LYS 60 60 50102 1 . ASP 61 61 50102 1 . ALA 62 62 50102 1 . GLN 63 63 50102 1 . PRO 64 64 50102 1 . PRO 65 65 50102 1 . TYR 66 66 50102 1 . HIS 67 67 50102 1 . TRP 68 68 50102 1 . SER 69 69 50102 1 . ILE 70 70 50102 1 . GLU 71 71 50102 1 . ARG 72 72 50102 1 . SER 73 73 50102 1 . ILE 74 74 50102 1 . SER 75 75 50102 1 . PRO 76 76 50102 1 . ASP 77 77 50102 1 . LYS 78 78 50102 1 . THR 79 79 50102 1 . GLU 80 80 50102 1 . ILE 81 81 50102 1 . VAL 82 82 50102 1 . ASN 83 83 50102 1 . GLY 84 84 50102 1 . ALA 85 85 50102 1 . VAL 86 86 50102 1 . GLN 87 87 50102 1 . THR 88 88 50102 1 . ALA 89 89 50102 1 . ASP 90 90 50102 1 . ARG 91 91 50102 1 . GLN 92 92 50102 1 . ARG 93 93 50102 1 . PRO 94 94 50102 1 . GLY 95 95 50102 1 . THR 96 96 50102 1 . PRO 97 97 50102 1 . MET 98 98 50102 1 . PRO 99 99 50102 1 . LYS 100 100 50102 1 . SER 101 101 50102 1 . ARG 102 102 50102 1 . GLY 103 103 50102 1 . LEU 104 104 50102 1 . GLU 105 105 50102 1 . HIS 106 106 50102 1 . HIS 107 107 50102 1 . HIS 108 108 50102 1 . HIS 109 109 50102 1 . HIS 110 110 50102 1 . HIS 111 111 50102 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 50102 _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 . 121791 virus . 'Nipah virus' 'Nipah virus' . . Virus . henipavirus 'Nipah virus' . . . . . . . . . . . . . 50102 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 50102 _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' . . . . . . . . plasmid . . pET28 . . . 50102 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50102 _Sample.ID 1 _Sample.Name . _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 entity_1 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 50102 1 2 'Bis-Tris ph 6.0' 'natural abundance' . . . . . . 20 . . mM . . . . 50102 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 50102 1 4 Arginine 'natural abundance' . . . . . . 50 . . mM . . . . 50102 1 5 glutamate 'natural abundance' . . . . . . 50 . . mM . . . . 50102 1 6 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 50102 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 50102 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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 'ionic strength' 150 . mM 50102 1 pH 6.0 . pH 50102 1 pressure 1 . atm 50102 1 temperature 298 . K 50102 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50102 _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 . . 50102 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'peak picking' 50102 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 50102 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model Unity _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 50102 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50102 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50102 1 3 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50102 1 4 '3D HNCOCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50102 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50102 1 6 '3D HNCOCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50102 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50102 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 50102 _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 water protons . . . . ppm 4.774 internal indirect 0.251449530 . . . . . 50102 1 H 1 water protons . . . . ppm 4.774 internal direct 1 . . . . . 50102 1 N 15 water protons . . . . ppm 4.774 internal indirect 0.101329118 . . . . . 50102 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 50102 _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' . . . 50102 1 2 '3D HNCO' . . . 50102 1 3 '3D HNCACO' . . . 50102 1 4 '3D HNCOCA' . . . 50102 1 5 '3D HNCA' . . . 50102 1 6 '3D HNCOCACB' . . . 50102 1 7 '3D HNCACB' . . . 50102 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 C C 13 175.483 . . 1 . . . . . 300 D CO . 50102 1 2 . 1 . 1 2 2 ASP CA C 13 54.349 . . 1 . . . . . 300 D CA . 50102 1 3 . 1 . 1 2 2 ASP CB C 13 41.339 . . 1 . . . . . 300 D CB . 50102 1 4 . 1 . 1 3 3 ASN H H 1 8.561 . . 1 . . . . . 301 N HN . 50102 1 5 . 1 . 1 3 3 ASN C C 13 175.266 . . 1 . . . . . 301 N CO . 50102 1 6 . 1 . 1 3 3 ASN CA C 13 53.431 . . 1 . . . . . 301 N CA . 50102 1 7 . 1 . 1 3 3 ASN CB C 13 38.862 . . 1 . . . . . 301 N CB . 50102 1 8 . 1 . 1 3 3 ASN N N 15 119.911 . . 1 . . . . . 301 N N . 50102 1 9 . 1 . 1 4 4 LYS H H 1 8.405 . . 1 . . . . . 302 K HN . 50102 1 10 . 1 . 1 4 4 LYS C C 13 176.874 . . 1 . . . . . 302 K CO . 50102 1 11 . 1 . 1 4 4 LYS CA C 13 56.509 . . 1 . . . . . 302 K CA . 50102 1 12 . 1 . 1 4 4 LYS CB C 13 32.933 . . 1 . . . . . 302 K CB . 50102 1 13 . 1 . 1 4 4 LYS N N 15 121.571 . . 1 . . . . . 302 K N . 50102 1 14 . 1 . 1 5 5 SER H H 1 8.387 . . 1 . . . . . 303 S HN . 50102 1 15 . 1 . 1 5 5 SER C C 13 174.883 . . 1 . . . . . 303 S CO . 50102 1 16 . 1 . 1 5 5 SER CA C 13 58.613 . . 1 . . . . . 303 S CA . 50102 1 17 . 1 . 1 5 5 SER CB C 13 63.782 . . 1 . . . . . 303 S CB . 50102 1 18 . 1 . 1 5 5 SER N N 15 117.062 . . 1 . . . . . 303 S N . 50102 1 19 . 1 . 1 6 6 THR H H 1 8.153 . . 1 . . . . . 304 T HN . 50102 1 20 . 1 . 1 6 6 THR C C 13 174.233 . . 1 . . . . . 304 T CO . 50102 1 21 . 1 . 1 6 6 THR CA C 13 61.753 . . 1 . . . . . 304 T CA . 50102 1 22 . 1 . 1 6 6 THR CB C 13 69.682 . . 1 . . . . . 304 T CB . 50102 1 23 . 1 . 1 6 6 THR N N 15 114.998 . . 1 . . . . . 304 T N . 50102 1 24 . 1 . 1 7 7 ASP H H 1 8.287 . . 1 . . . . . 305 D HN . 50102 1 25 . 1 . 1 7 7 ASP C C 13 175.745 . . 1 . . . . . 305 D CO . 50102 1 26 . 1 . 1 7 7 ASP CA C 13 54.406 . . 1 . . . . . 305 D CA . 50102 1 27 . 1 . 1 7 7 ASP CB C 13 41.151 . . 1 . . . . . 305 D CB . 50102 1 28 . 1 . 1 7 7 ASP N N 15 123.113 . . 1 . . . . . 305 D N . 50102 1 29 . 1 . 1 8 8 VAL H H 1 8.091 . . 1 . . . . . 306 V HN . 50102 1 30 . 1 . 1 8 8 VAL C C 13 174.529 . . 1 . . . . . 306 V CO . 50102 1 31 . 1 . 1 8 8 VAL CA C 13 59.947 . . 1 . . . . . 306 V CA . 50102 1 32 . 1 . 1 8 8 VAL CB C 13 32.646 . . 1 . . . . . 306 V CB . 50102 1 33 . 1 . 1 8 8 VAL N N 15 121.700 . . 1 . . . . . 306 V N . 50102 1 34 . 1 . 1 9 9 PRO C C 13 177.686 . . 1 . . . . . 307 P CO . 50102 1 35 . 1 . 1 9 9 PRO CA C 13 63.606 . . 1 . . . . . 307 P CA . 50102 1 36 . 1 . 1 9 9 PRO CB C 13 32.063 . . 1 . . . . . 307 P CB . 50102 1 37 . 1 . 1 10 10 GLY H H 1 8.509 . . 1 . . . . . 308 G HN . 50102 1 38 . 1 . 1 10 10 GLY C C 13 173.913 . . 1 . . . . . 308 G CO . 50102 1 39 . 1 . 1 10 10 GLY CA C 13 45.306 . . 1 . . . . . 308 G CA . 50102 1 40 . 1 . 1 10 10 GLY N N 15 109.934 . . 1 . . . . . 308 G N . 50102 1 41 . 1 . 1 11 11 ALA H H 1 8.127 . . 1 . . . . . 309 A HN . 50102 1 42 . 1 . 1 11 11 ALA C C 13 177.943 . . 1 . . . . . 309 A CO . 50102 1 43 . 1 . 1 11 11 ALA CA C 13 52.414 . . 1 . . . . . 309 A CA . 50102 1 44 . 1 . 1 11 11 ALA CB C 13 19.624 . . 1 . . . . . 309 A CB . 50102 1 45 . 1 . 1 11 11 ALA N N 15 123.715 . . 1 . . . . . 309 A N . 50102 1 46 . 1 . 1 12 12 GLY H H 1 8.322 . . 1 . . . . . 310 G HN . 50102 1 47 . 1 . 1 12 12 GLY CA C 13 44.575 . . 1 . . . . . 310 G CA . 50102 1 48 . 1 . 1 12 12 GLY N N 15 108.637 . . 1 . . . . . 310 G N . 50102 1 49 . 1 . 1 13 13 PRO C C 13 177.438 . . 1 . . . . . 311 P CO . 50102 1 50 . 1 . 1 13 13 PRO CA C 13 63.227 . . 1 . . . . . 311 P CA . 50102 1 51 . 1 . 1 13 13 PRO CB C 13 32.181 . . 1 . . . . . 311 P CB . 50102 1 52 . 1 . 1 14 14 LYS H H 1 8.502 . . 1 . . . . . 312 K HN . 50102 1 53 . 1 . 1 14 14 LYS C C 13 176.599 . . 1 . . . . . 312 K CO . 50102 1 54 . 1 . 1 14 14 LYS CA C 13 56.411 . . 1 . . . . . 312 K CA . 50102 1 55 . 1 . 1 14 14 LYS CB C 13 33.004 . . 1 . . . . . 312 K CB . 50102 1 56 . 1 . 1 14 14 LYS N N 15 121.468 . . 1 . . . . . 312 K N . 50102 1 57 . 1 . 1 15 15 ASP H H 1 8.311 . . 1 . . . . . 313 D HN . 50102 1 58 . 1 . 1 15 15 ASP C C 13 176.329 . . 1 . . . . . 313 D CO . 50102 1 59 . 1 . 1 15 15 ASP CA C 13 54.491 . . 1 . . . . . 313 D CA . 50102 1 60 . 1 . 1 15 15 ASP CB C 13 41.272 . . 1 . . . . . 313 D CB . 50102 1 61 . 1 . 1 15 15 ASP N N 15 121.352 . . 1 . . . . . 313 D N . 50102 1 62 . 1 . 1 16 16 SER H H 1 8.223 . . 1 . . . . . 314 S HN . 50102 1 63 . 1 . 1 16 16 SER C C 13 174.298 . . 1 . . . . . 314 S CO . 50102 1 64 . 1 . 1 16 16 SER CA C 13 58.524 . . 1 . . . . . 314 S CA . 50102 1 65 . 1 . 1 16 16 SER CB C 13 63.866 . . 1 . . . . . 314 S CB . 50102 1 66 . 1 . 1 16 16 SER N N 15 116.239 . . 1 . . . . . 314 S N . 50102 1 67 . 1 . 1 17 17 ALA H H 1 8.301 . . 1 . . . . . 315 A HN . 50102 1 68 . 1 . 1 17 17 ALA C C 13 177.697 . . 1 . . . . . 315 A CO . 50102 1 69 . 1 . 1 17 17 ALA CA C 13 52.652 . . 1 . . . . . 315 A CA . 50102 1 70 . 1 . 1 17 17 ALA CB C 13 19.200 . . 1 . . . . . 315 A CB . 50102 1 71 . 1 . 1 17 17 ALA N N 15 125.891 . . 1 . . . . . 315 A N . 50102 1 72 . 1 . 1 18 18 VAL H H 1 8.018 . . 1 . . . . . 316 V HN . 50102 1 73 . 1 . 1 18 18 VAL C C 13 176.057 . . 1 . . . . . 316 V CO . 50102 1 74 . 1 . 1 18 18 VAL CA C 13 62.398 . . 1 . . . . . 316 V CA . 50102 1 75 . 1 . 1 18 18 VAL CB C 13 32.705 . . 1 . . . . . 316 V CB . 50102 1 76 . 1 . 1 18 18 VAL N N 15 119.581 . . 1 . . . . . 316 V N . 50102 1 77 . 1 . 1 19 19 LYS H H 1 8.374 . . 1 . . . . . 317 K HN . 50102 1 78 . 1 . 1 19 19 LYS C C 13 176.159 . . 1 . . . . . 317 K CO . 50102 1 79 . 1 . 1 19 19 LYS CA C 13 56.072 . . 1 . . . . . 317 K CA . 50102 1 80 . 1 . 1 19 19 LYS CB C 13 33.213 . . 1 . . . . . 317 K CB . 50102 1 81 . 1 . 1 19 19 LYS N N 15 125.906 . . 1 . . . . . 317 K N . 50102 1 82 . 1 . 1 20 20 GLU H H 1 8.407 . . 1 . . . . . 318 E HN . 50102 1 83 . 1 . 1 20 20 GLU C C 13 176.022 . . 1 . . . . . 318 E CO . 50102 1 84 . 1 . 1 20 20 GLU CA C 13 56.131 . . 1 . . . . . 318 E CA . 50102 1 85 . 1 . 1 20 20 GLU CB C 13 30.590 . . 1 . . . . . 318 E CB . 50102 1 86 . 1 . 1 20 20 GLU N N 15 123.027 . . 1 . . . . . 318 E N . 50102 1 87 . 1 . 1 21 21 GLU H H 1 8.478 . . 1 . . . . . 319 E HN . 50102 1 88 . 1 . 1 21 21 GLU C C 13 174.010 . . 1 . . . . . 319 E CO . 50102 1 89 . 1 . 1 21 21 GLU CA C 13 54.191 . . 1 . . . . . 319 E CA . 50102 1 90 . 1 . 1 21 21 GLU CB C 13 29.880 . . 1 . . . . . 319 E CB . 50102 1 91 . 1 . 1 21 21 GLU N N 15 124.299 . . 1 . . . . . 319 E N . 50102 1 92 . 1 . 1 23 23 PRO C C 13 177.072 . . 1 . . . . . 321 P CO . 50102 1 93 . 1 . 1 23 23 PRO CA C 13 63.178 . . 1 . . . . . 321 P CA . 50102 1 94 . 1 . 1 23 23 PRO CB C 13 32.032 . . 1 . . . . . 321 P CB . 50102 1 95 . 1 . 1 24 24 GLN H H 1 8.445 . . 1 . . . . . 322 Q HN . 50102 1 96 . 1 . 1 24 24 GLN C C 13 176.046 . . 1 . . . . . 322 Q CO . 50102 1 97 . 1 . 1 24 24 GLN CA C 13 55.931 . . 1 . . . . . 322 Q CA . 50102 1 98 . 1 . 1 24 24 GLN CB C 13 29.561 . . 1 . . . . . 322 Q CB . 50102 1 99 . 1 . 1 24 24 GLN N N 15 120.203 . . 1 . . . . . 322 Q N . 50102 1 100 . 1 . 1 25 25 LYS H H 1 8.331 . . 1 . . . . . 323 K HN . 50102 1 101 . 1 . 1 25 25 LYS C C 13 176.183 . . 1 . . . . . 323 K CO . 50102 1 102 . 1 . 1 25 25 LYS CA C 13 56.303 . . 1 . . . . . 323 K CA . 50102 1 103 . 1 . 1 25 25 LYS CB C 13 33.146 . . 1 . . . . . 323 K CB . 50102 1 104 . 1 . 1 25 25 LYS N N 15 122.825 . . 1 . . . . . 323 K N . 50102 1 105 . 1 . 1 26 26 ARG H H 1 8.315 . . 1 . . . . . 324 R HN . 50102 1 106 . 1 . 1 26 26 ARG C C 13 175.901 . . 1 . . . . . 324 R CO . 50102 1 107 . 1 . 1 26 26 ARG CA C 13 55.814 . . 1 . . . . . 324 R CA . 50102 1 108 . 1 . 1 26 26 ARG CB C 13 30.998 . . 1 . . . . . 324 R CB . 50102 1 109 . 1 . 1 26 26 ARG N N 15 122.784 . . 1 . . . . . 324 R N . 50102 1 110 . 1 . 1 27 27 LEU H H 1 8.339 . . 1 . . . . . 325 L HN . 50102 1 111 . 1 . 1 27 27 LEU C C 13 175.238 . . 1 . . . . . 325 L CO . 50102 1 112 . 1 . 1 27 27 LEU CA C 13 53.205 . . 1 . . . . . 325 L CA . 50102 1 113 . 1 . 1 27 27 LEU CB C 13 41.588 . . 1 . . . . . 325 L CB . 50102 1 114 . 1 . 1 27 27 LEU N N 15 125.373 . . 1 . . . . . 325 L N . 50102 1 115 . 1 . 1 28 28 PRO C C 13 176.694 . . 1 . . . . . 326 P CO . 50102 1 116 . 1 . 1 28 28 PRO CA C 13 63.215 . . 1 . . . . . 326 P CA . 50102 1 117 . 1 . 1 28 28 PRO CB C 13 32.035 . . 1 . . . . . 326 P CB . 50102 1 118 . 1 . 1 29 29 MET H H 1 8.357 . . 1 . . . . . 327 M HN . 50102 1 119 . 1 . 1 29 29 MET C C 13 176.105 . . 1 . . . . . 327 M CO . 50102 1 120 . 1 . 1 29 29 MET CA C 13 55.645 . . 1 . . . . . 327 M CA . 50102 1 121 . 1 . 1 29 29 MET CB C 13 33.124 . . 1 . . . . . 327 M CB . 50102 1 122 . 1 . 1 29 29 MET N N 15 120.210 . . 1 . . . . . 327 M N . 50102 1 123 . 1 . 1 30 30 LEU H H 1 8.256 . . 1 . . . . . 328 L HN . 50102 1 124 . 1 . 1 30 30 LEU C C 13 177.059 . . 1 . . . . . 328 L CO . 50102 1 125 . 1 . 1 30 30 LEU CA C 13 55.114 . . 1 . . . . . 328 L CA . 50102 1 126 . 1 . 1 30 30 LEU CB C 13 42.416 . . 1 . . . . . 328 L CB . 50102 1 127 . 1 . 1 30 30 LEU N N 15 123.537 . . 1 . . . . . 328 L N . 50102 1 128 . 1 . 1 31 31 ALA H H 1 8.293 . . 1 . . . . . 329 A HN . 50102 1 129 . 1 . 1 31 31 ALA C C 13 177.901 . . 1 . . . . . 329 A CO . 50102 1 130 . 1 . 1 31 31 ALA CA C 13 52.883 . . 1 . . . . . 329 A CA . 50102 1 131 . 1 . 1 31 31 ALA CB C 13 19.134 . . 1 . . . . . 329 A CB . 50102 1 132 . 1 . 1 31 31 ALA N N 15 124.686 . . 1 . . . . . 329 A N . 50102 1 133 . 1 . 1 32 32 GLU H H 1 8.389 . . 1 . . . . . 330 E HN . 50102 1 134 . 1 . 1 32 32 GLU C C 13 176.614 . . 1 . . . . . 330 E CO . 50102 1 135 . 1 . 1 32 32 GLU CA C 13 56.998 . . 1 . . . . . 330 E CA . 50102 1 136 . 1 . 1 32 32 GLU CB C 13 30.121 . . 1 . . . . . 330 E CB . 50102 1 137 . 1 . 1 32 32 GLU N N 15 119.465 . . 1 . . . . . 330 E N . 50102 1 138 . 1 . 1 33 33 GLU H H 1 8.290 . . 1 . . . . . 331 E HN . 50102 1 139 . 1 . 1 33 33 GLU C C 13 176.222 . . 1 . . . . . 331 E CO . 50102 1 140 . 1 . 1 33 33 GLU CA C 13 56.802 . . 1 . . . . . 331 E CA . 50102 1 141 . 1 . 1 33 33 GLU CB C 13 30.168 . . 1 . . . . . 331 E CB . 50102 1 142 . 1 . 1 33 33 GLU N N 15 120.857 . . 1 . . . . . 331 E N . 50102 1 143 . 1 . 1 34 34 PHE H H 1 8.110 . . 1 . . . . . 332 F HN . 50102 1 144 . 1 . 1 34 34 PHE C C 13 175.715 . . 1 . . . . . 332 F CO . 50102 1 145 . 1 . 1 34 34 PHE CA C 13 57.795 . . 1 . . . . . 332 F CA . 50102 1 146 . 1 . 1 34 34 PHE CB C 13 39.775 . . 1 . . . . . 332 F CB . 50102 1 147 . 1 . 1 34 34 PHE N N 15 120.228 . . 1 . . . . . 332 F N . 50102 1 148 . 1 . 1 35 35 GLU H H 1 8.301 . . 1 . . . . . 333 E HN . 50102 1 149 . 1 . 1 35 35 GLU C C 13 176.174 . . 1 . . . . . 333 E CO . 50102 1 150 . 1 . 1 35 35 GLU CA C 13 56.646 . . 1 . . . . . 333 E CA . 50102 1 151 . 1 . 1 35 35 GLU CB C 13 30.289 . . 1 . . . . . 333 E CB . 50102 1 152 . 1 . 1 35 35 GLU N N 15 122.274 . . 1 . . . . . 333 E N . 50102 1 153 . 1 . 1 36 36 CYS H H 1 8.386 . . 1 . . . . . 334 C HN . 50102 1 154 . 1 . 1 36 36 CYS C C 13 174.757 . . 1 . . . . . 334 C CO . 50102 1 155 . 1 . 1 36 36 CYS CA C 13 58.527 . . 1 . . . . . 334 C CA . 50102 1 156 . 1 . 1 36 36 CYS CB C 13 28.132 . . 1 . . . . . 334 C CB . 50102 1 157 . 1 . 1 36 36 CYS N N 15 120.255 . . 1 . . . . . 334 C N . 50102 1 158 . 1 . 1 37 37 SER H H 1 8.552 . . 1 . . . . . 335 S HN . 50102 1 159 . 1 . 1 37 37 SER C C 13 175.139 . . 1 . . . . . 335 S CO . 50102 1 160 . 1 . 1 37 37 SER CA C 13 58.865 . . 1 . . . . . 335 S CA . 50102 1 161 . 1 . 1 37 37 SER CB C 13 63.932 . . 1 . . . . . 335 S CB . 50102 1 162 . 1 . 1 37 37 SER N N 15 118.603 . . 1 . . . . . 335 S N . 50102 1 163 . 1 . 1 38 38 GLY H H 1 8.513 . . 1 . . . . . 336 G HN . 50102 1 164 . 1 . 1 38 38 GLY C C 13 174.261 . . 1 . . . . . 336 G CO . 50102 1 165 . 1 . 1 38 38 GLY CA C 13 45.497 . . 1 . . . . . 336 G CA . 50102 1 166 . 1 . 1 38 38 GLY N N 15 111.336 . . 1 . . . . . 336 G N . 50102 1 167 . 1 . 1 39 39 SER H H 1 8.180 . . 1 . . . . . 337 S HN . 50102 1 168 . 1 . 1 39 39 SER C C 13 174.498 . . 1 . . . . . 337 S CO . 50102 1 169 . 1 . 1 39 39 SER CA C 13 58.559 . . 1 . . . . . 337 S CA . 50102 1 170 . 1 . 1 39 39 SER CB C 13 63.971 . . 1 . . . . . 337 S CB . 50102 1 171 . 1 . 1 39 39 SER N N 15 115.317 . . 1 . . . . . 337 S N . 50102 1 172 . 1 . 1 40 40 GLU H H 1 8.494 . . 1 . . . . . 338 E HN . 50102 1 173 . 1 . 1 40 40 GLU C C 13 175.894 . . 1 . . . . . 338 E CO . 50102 1 174 . 1 . 1 40 40 GLU CA C 13 56.292 . . 1 . . . . . 338 E CA . 50102 1 175 . 1 . 1 40 40 GLU CB C 13 30.263 . . 1 . . . . . 338 E CB . 50102 1 176 . 1 . 1 40 40 GLU N N 15 122.400 . . 1 . . . . . 338 E N . 50102 1 177 . 1 . 1 41 41 ASP H H 1 8.300 . . 1 . . . . . 339 D HN . 50102 1 178 . 1 . 1 41 41 ASP C C 13 174.828 . . 1 . . . . . 339 D CO . 50102 1 179 . 1 . 1 41 41 ASP CA C 13 52.597 . . 1 . . . . . 339 D CA . 50102 1 180 . 1 . 1 41 41 ASP CB C 13 41.376 . . 1 . . . . . 339 D CB . 50102 1 181 . 1 . 1 41 41 ASP N N 15 123.486 . . 1 . . . . . 339 D N . 50102 1 182 . 1 . 1 42 42 PRO C C 13 177.634 . . 1 . . . . . 340 P CO . 50102 1 183 . 1 . 1 42 42 PRO CA C 13 64.049 . . 1 . . . . . 340 P CA . 50102 1 184 . 1 . 1 42 42 PRO CB C 13 32.279 . . 1 . . . . . 340 P CB . 50102 1 185 . 1 . 1 43 43 ILE H H 1 8.208 . . 1 . . . . . 341 I HN . 50102 1 186 . 1 . 1 43 43 ILE C C 13 177.211 . . 1 . . . . . 341 I CO . 50102 1 187 . 1 . 1 43 43 ILE CA C 13 62.319 . . 1 . . . . . 341 I CA . 50102 1 188 . 1 . 1 43 43 ILE CB C 13 37.869 . . 1 . . . . . 341 I CB . 50102 1 189 . 1 . 1 43 43 ILE N N 15 120.302 . . 1 . . . . . 341 I N . 50102 1 190 . 1 . 1 44 44 ILE H H 1 7.864 . . 1 . . . . . 342 I HN . 50102 1 191 . 1 . 1 44 44 ILE C C 13 177.020 . . 1 . . . . . 342 I CO . 50102 1 192 . 1 . 1 44 44 ILE CA C 13 62.056 . . 1 . . . . . 342 I CA . 50102 1 193 . 1 . 1 44 44 ILE CB C 13 37.754 . . 1 . . . . . 342 I CB . 50102 1 194 . 1 . 1 44 44 ILE N N 15 123.468 . . 1 . . . . . 342 I N . 50102 1 195 . 1 . 1 45 45 ARG H H 1 8.208 . . 1 . . . . . 343 R HN . 50102 1 196 . 1 . 1 45 45 ARG C C 13 177.360 . . 1 . . . . . 343 R CO . 50102 1 197 . 1 . 1 45 45 ARG CA C 13 57.722 . . 1 . . . . . 343 R CA . 50102 1 198 . 1 . 1 45 45 ARG CB C 13 30.674 . . 1 . . . . . 343 R CB . 50102 1 199 . 1 . 1 45 45 ARG N N 15 122.520 . . 1 . . . . . 343 R N . 50102 1 200 . 1 . 1 46 46 GLU H H 1 8.076 . . 1 . . . . . 344 E HN . 50102 1 201 . 1 . 1 46 46 GLU C C 13 177.236 . . 1 . . . . . 344 E CO . 50102 1 202 . 1 . 1 46 46 GLU CA C 13 57.532 . . 1 . . . . . 344 E CA . 50102 1 203 . 1 . 1 46 46 GLU CB C 13 29.820 . . 1 . . . . . 344 E CB . 50102 1 204 . 1 . 1 46 46 GLU N N 15 120.060 . . 1 . . . . . 344 E N . 50102 1 205 . 1 . 1 47 47 LEU H H 1 8.052 . . 1 . . . . . 345 L HN . 50102 1 206 . 1 . 1 47 47 LEU C C 13 178.136 . . 1 . . . . . 345 L CO . 50102 1 207 . 1 . 1 47 47 LEU CA C 13 56.246 . . 1 . . . . . 345 L CA . 50102 1 208 . 1 . 1 47 47 LEU CB C 13 42.166 . . 1 . . . . . 345 L CB . 50102 1 209 . 1 . 1 47 47 LEU N N 15 122.134 . . 1 . . . . . 345 L N . 50102 1 210 . 1 . 1 48 48 LEU H H 1 8.106 . . 1 . . . . . 346 L HN . 50102 1 211 . 1 . 1 48 48 LEU C C 13 178.076 . . 1 . . . . . 346 L CO . 50102 1 212 . 1 . 1 48 48 LEU CA C 13 55.874 . . 1 . . . . . 346 L CA . 50102 1 213 . 1 . 1 48 48 LEU CB C 13 41.817 . . 1 . . . . . 346 L CB . 50102 1 214 . 1 . 1 48 48 LEU N N 15 121.127 . . 1 . . . . . 346 L N . 50102 1 215 . 1 . 1 49 49 LYS H H 1 8.013 . . 1 . . . . . 347 K HN . 50102 1 216 . 1 . 1 49 49 LYS C C 13 177.326 . . 1 . . . . . 347 K CO . 50102 1 217 . 1 . 1 49 49 LYS CA C 13 57.253 . . 1 . . . . . 347 K CA . 50102 1 218 . 1 . 1 49 49 LYS CB C 13 32.795 . . 1 . . . . . 347 K CB . 50102 1 219 . 1 . 1 49 49 LYS N N 15 121.255 . . 1 . . . . . 347 K N . 50102 1 220 . 1 . 1 50 50 GLU H H 1 8.329 . . 1 . . . . . 348 E HN . 50102 1 221 . 1 . 1 50 50 GLU C C 13 176.774 . . 1 . . . . . 348 E CO . 50102 1 222 . 1 . 1 50 50 GLU CA C 13 57.287 . . 1 . . . . . 348 E CA . 50102 1 223 . 1 . 1 50 50 GLU CB C 13 29.757 . . 1 . . . . . 348 E CB . 50102 1 224 . 1 . 1 50 50 GLU N N 15 120.813 . . 1 . . . . . 348 E N . 50102 1 225 . 1 . 1 51 51 ASN H H 1 8.362 . . 1 . . . . . 349 N HN . 50102 1 226 . 1 . 1 51 51 ASN C C 13 175.580 . . 1 . . . . . 349 N CO . 50102 1 227 . 1 . 1 51 51 ASN CA C 13 53.805 . . 1 . . . . . 349 N CA . 50102 1 228 . 1 . 1 51 51 ASN CB C 13 38.870 . . 1 . . . . . 349 N CB . 50102 1 229 . 1 . 1 51 51 ASN N N 15 118.953 . . 1 . . . . . 349 N N . 50102 1 230 . 1 . 1 52 52 SER H H 1 8.199 . . 1 . . . . . 350 S HN . 50102 1 231 . 1 . 1 52 52 SER C C 13 174.770 . . 1 . . . . . 350 S CO . 50102 1 232 . 1 . 1 52 52 SER CA C 13 59.193 . . 1 . . . . . 350 S CA . 50102 1 233 . 1 . 1 52 52 SER CB C 13 63.686 . . 1 . . . . . 350 S CB . 50102 1 234 . 1 . 1 52 52 SER N N 15 115.953 . . 1 . . . . . 350 S N . 50102 1 235 . 1 . 1 53 53 LEU H H 1 8.158 . . 1 . . . . . 351 L HN . 50102 1 236 . 1 . 1 53 53 LEU C C 13 177.684 . . 1 . . . . . 351 L CO . 50102 1 237 . 1 . 1 53 53 LEU CA C 13 55.734 . . 1 . . . . . 351 L CA . 50102 1 238 . 1 . 1 53 53 LEU CB C 13 42.130 . . 1 . . . . . 351 L CB . 50102 1 239 . 1 . 1 53 53 LEU N N 15 123.213 . . 1 . . . . . 351 L N . 50102 1 240 . 1 . 1 54 54 ILE H H 1 7.867 . . 1 . . . . . 352 I HN . 50102 1 241 . 1 . 1 54 54 ILE C C 13 176.185 . . 1 . . . . . 352 I CO . 50102 1 242 . 1 . 1 54 54 ILE CA C 13 61.638 . . 1 . . . . . 352 I CA . 50102 1 243 . 1 . 1 54 54 ILE CB C 13 38.663 . . 1 . . . . . 352 I CB . 50102 1 244 . 1 . 1 54 54 ILE N N 15 119.828 . . 1 . . . . . 352 I N . 50102 1 245 . 1 . 1 55 55 ASN H H 1 8.372 . . 1 . . . . . 353 N HN . 50102 1 246 . 1 . 1 55 55 ASN C C 13 175.333 . . 1 . . . . . 353 N CO . 50102 1 247 . 1 . 1 55 55 ASN CA C 13 53.510 . . 1 . . . . . 353 N CA . 50102 1 248 . 1 . 1 55 55 ASN CB C 13 38.803 . . 1 . . . . . 353 N CB . 50102 1 249 . 1 . 1 55 55 ASN N N 15 121.482 . . 1 . . . . . 353 N N . 50102 1 250 . 1 . 1 56 56 CYS H H 1 8.244 . . 1 . . . . . 354 C HN . 50102 1 251 . 1 . 1 56 56 CYS C C 13 174.741 . . 1 . . . . . 354 C CO . 50102 1 252 . 1 . 1 56 56 CYS CA C 13 58.868 . . 1 . . . . . 354 C CA . 50102 1 253 . 1 . 1 56 56 CYS CB C 13 27.956 . . 1 . . . . . 354 C CB . 50102 1 254 . 1 . 1 56 56 CYS N N 15 119.322 . . 1 . . . . . 354 C N . 50102 1 255 . 1 . 1 57 57 GLN H H 1 8.460 . . 1 . . . . . 355 Q HN . 50102 1 256 . 1 . 1 57 57 GLN C C 13 175.989 . . 1 . . . . . 355 Q CO . 50102 1 257 . 1 . 1 57 57 GLN CA C 13 56.235 . . 1 . . . . . 355 Q CA . 50102 1 258 . 1 . 1 57 57 GLN CB C 13 29.255 . . 1 . . . . . 355 Q CB . 50102 1 259 . 1 . 1 57 57 GLN N N 15 122.263 . . 1 . . . . . 355 Q N . 50102 1 260 . 1 . 1 58 58 GLN H H 1 8.367 . . 1 . . . . . 356 Q HN . 50102 1 261 . 1 . 1 58 58 GLN C C 13 176.482 . . 1 . . . . . 356 Q CO . 50102 1 262 . 1 . 1 58 58 GLN CA C 13 56.204 . . 1 . . . . . 356 Q CA . 50102 1 263 . 1 . 1 58 58 GLN CB C 13 29.549 . . 1 . . . . . 356 Q CB . 50102 1 264 . 1 . 1 58 58 GLN N N 15 121.054 . . 1 . . . . . 356 Q N . 50102 1 265 . 1 . 1 59 59 GLY H H 1 8.471 . . 1 . . . . . 357 G HN . 50102 1 266 . 1 . 1 59 59 GLY C C 13 174.411 . . 1 . . . . . 357 G CO . 50102 1 267 . 1 . 1 59 59 GLY CA C 13 45.422 . . 1 . . . . . 357 G CA . 50102 1 268 . 1 . 1 59 59 GLY N N 15 110.265 . . 1 . . . . . 357 G N . 50102 1 269 . 1 . 1 60 60 LYS H H 1 8.212 . . 1 . . . . . 358 K HN . 50102 1 270 . 1 . 1 60 60 LYS C C 13 176.544 . . 1 . . . . . 358 K CO . 50102 1 271 . 1 . 1 60 60 LYS CA C 13 56.721 . . 1 . . . . . 358 K CA . 50102 1 272 . 1 . 1 60 60 LYS CB C 13 32.970 . . 1 . . . . . 358 K CB . 50102 1 273 . 1 . 1 60 60 LYS N N 15 120.801 . . 1 . . . . . 358 K N . 50102 1 274 . 1 . 1 61 61 ASP H H 1 8.378 . . 1 . . . . . 359 D HN . 50102 1 275 . 1 . 1 61 61 ASP C C 13 175.742 . . 1 . . . . . 359 D CO . 50102 1 276 . 1 . 1 61 61 ASP CA C 13 54.435 . . 1 . . . . . 359 D CA . 50102 1 277 . 1 . 1 61 61 ASP CB C 13 41.047 . . 1 . . . . . 359 D CB . 50102 1 278 . 1 . 1 61 61 ASP N N 15 120.505 . . 1 . . . . . 359 D N . 50102 1 279 . 1 . 1 62 62 ALA H H 1 8.053 . . 1 . . . . . 360 A HN . 50102 1 280 . 1 . 1 62 62 ALA C C 13 177.362 . . 1 . . . . . 360 A CO . 50102 1 281 . 1 . 1 62 62 ALA CA C 13 52.391 . . 1 . . . . . 360 A CA . 50102 1 282 . 1 . 1 62 62 ALA CB C 13 19.288 . . 1 . . . . . 360 A CB . 50102 1 283 . 1 . 1 62 62 ALA N N 15 123.729 . . 1 . . . . . 360 A N . 50102 1 284 . 1 . 1 63 63 GLN H H 1 8.248 . . 1 . . . . . 361 Q HN . 50102 1 285 . 1 . 1 63 63 GLN C C 13 173.560 . . 1 . . . . . 361 Q CO . 50102 1 286 . 1 . 1 63 63 GLN CA C 13 53.556 . . 1 . . . . . 361 Q CA . 50102 1 287 . 1 . 1 63 63 GLN CB C 13 29.060 . . 1 . . . . . 361 Q CB . 50102 1 288 . 1 . 1 63 63 GLN N N 15 120.504 . . 1 . . . . . 361 Q N . 50102 1 289 . 1 . 1 65 65 PRO C C 13 176.432 . . 1 . . . . . 363 P CO . 50102 1 290 . 1 . 1 65 65 PRO CA C 13 63.035 . . 1 . . . . . 363 P CA . 50102 1 291 . 1 . 1 65 65 PRO CB C 13 31.793 . . 1 . . . . . 363 P CB . 50102 1 292 . 1 . 1 66 66 TYR H H 1 8.007 . . 1 . . . . . 364 Y HN . 50102 1 293 . 1 . 1 66 66 TYR C C 13 175.583 . . 1 . . . . . 364 Y CO . 50102 1 294 . 1 . 1 66 66 TYR CA C 13 57.813 . . 1 . . . . . 364 Y CA . 50102 1 295 . 1 . 1 66 66 TYR CB C 13 38.738 . . 1 . . . . . 364 Y CB . 50102 1 296 . 1 . 1 66 66 TYR N N 15 119.873 . . 1 . . . . . 364 Y N . 50102 1 297 . 1 . 1 67 67 HIS H H 1 8.150 . . 1 . . . . . 365 H HN . 50102 1 298 . 1 . 1 67 67 HIS C C 13 173.774 . . 1 . . . . . 365 H CO . 50102 1 299 . 1 . 1 67 67 HIS CA C 13 55.415 . . 1 . . . . . 365 H CA . 50102 1 300 . 1 . 1 67 67 HIS CB C 13 29.406 . . 1 . . . . . 365 H CB . 50102 1 301 . 1 . 1 67 67 HIS N N 15 120.934 . . 1 . . . . . 365 H N . 50102 1 302 . 1 . 1 68 68 TRP H H 1 7.973 . . 1 . . . . . 366 W HN . 50102 1 303 . 1 . 1 68 68 TRP C C 13 175.983 . . 1 . . . . . 366 W CO . 50102 1 304 . 1 . 1 68 68 TRP CA C 13 57.554 . . 1 . . . . . 366 W CA . 50102 1 305 . 1 . 1 68 68 TRP CB C 13 29.811 . . 1 . . . . . 366 W CB . 50102 1 306 . 1 . 1 68 68 TRP N N 15 122.654 . . 1 . . . . . 366 W N . 50102 1 307 . 1 . 1 69 69 SER H H 1 8.026 . . 1 . . . . . 367 S HN . 50102 1 308 . 1 . 1 69 69 SER C C 13 174.248 . . 1 . . . . . 367 S CO . 50102 1 309 . 1 . 1 69 69 SER CA C 13 58.185 . . 1 . . . . . 367 S CA . 50102 1 310 . 1 . 1 69 69 SER CB C 13 64.028 . . 1 . . . . . 367 S CB . 50102 1 311 . 1 . 1 69 69 SER N N 15 117.476 . . 1 . . . . . 367 S N . 50102 1 312 . 1 . 1 70 70 ILE H H 1 8.031 . . 1 . . . . . 368 I HN . 50102 1 313 . 1 . 1 70 70 ILE C C 13 176.292 . . 1 . . . . . 368 I CO . 50102 1 314 . 1 . 1 70 70 ILE CA C 13 61.593 . . 1 . . . . . 368 I CA . 50102 1 315 . 1 . 1 70 70 ILE CB C 13 38.801 . . 1 . . . . . 368 I CB . 50102 1 316 . 1 . 1 70 70 ILE N N 15 121.965 . . 1 . . . . . 368 I N . 50102 1 317 . 1 . 1 71 71 GLU H H 1 8.377 . . 1 . . . . . 369 E HN . 50102 1 318 . 1 . 1 71 71 GLU C C 13 176.448 . . 1 . . . . . 369 E CO . 50102 1 319 . 1 . 1 71 71 GLU CA C 13 56.902 . . 1 . . . . . 369 E CA . 50102 1 320 . 1 . 1 71 71 GLU CB C 13 30.020 . . 1 . . . . . 369 E CB . 50102 1 321 . 1 . 1 71 71 GLU N N 15 123.962 . . 1 . . . . . 369 E N . 50102 1 322 . 1 . 1 72 72 ARG H H 1 8.211 . . 1 . . . . . 370 R HN . 50102 1 323 . 1 . 1 72 72 ARG C C 13 176.186 . . 1 . . . . . 370 R CO . 50102 1 324 . 1 . 1 72 72 ARG CA C 13 56.175 . . 1 . . . . . 370 R CA . 50102 1 325 . 1 . 1 72 72 ARG CB C 13 30.896 . . 1 . . . . . 370 R CB . 50102 1 326 . 1 . 1 72 72 ARG N N 15 121.740 . . 1 . . . . . 370 R N . 50102 1 327 . 1 . 1 73 73 SER H H 1 8.295 . . 1 . . . . . 371 S HN . 50102 1 328 . 1 . 1 73 73 SER C C 13 174.325 . . 1 . . . . . 371 S CO . 50102 1 329 . 1 . 1 73 73 SER CA C 13 58.414 . . 1 . . . . . 371 S CA . 50102 1 330 . 1 . 1 73 73 SER CB C 13 63.847 . . 1 . . . . . 371 S CB . 50102 1 331 . 1 . 1 73 73 SER N N 15 117.031 . . 1 . . . . . 371 S N . 50102 1 332 . 1 . 1 74 74 ILE H H 1 8.128 . . 1 . . . . . 372 I HN . 50102 1 333 . 1 . 1 74 74 ILE C C 13 175.989 . . 1 . . . . . 372 I CO . 50102 1 334 . 1 . 1 74 74 ILE CA C 13 60.984 . . 1 . . . . . 372 I CA . 50102 1 335 . 1 . 1 74 74 ILE CB C 13 38.978 . . 1 . . . . . 372 I CB . 50102 1 336 . 1 . 1 74 74 ILE N N 15 122.166 . . 1 . . . . . 372 I N . 50102 1 337 . 1 . 1 75 75 SER H H 1 8.382 . . 1 . . . . . 373 S HN . 50102 1 338 . 1 . 1 75 75 SER C C 13 173.060 . . 1 . . . . . 373 S CO . 50102 1 339 . 1 . 1 75 75 SER CA C 13 56.175 . . 1 . . . . . 373 S CA . 50102 1 340 . 1 . 1 75 75 SER CB C 13 63.530 . . 1 . . . . . 373 S CB . 50102 1 341 . 1 . 1 75 75 SER N N 15 121.028 . . 1 . . . . . 373 S N . 50102 1 342 . 1 . 1 76 76 PRO C C 13 176.620 . . 1 . . . . . 374 P CO . 50102 1 343 . 1 . 1 76 76 PRO CA C 13 63.573 . . 1 . . . . . 374 P CA . 50102 1 344 . 1 . 1 76 76 PRO CB C 13 32.082 . . 1 . . . . . 374 P CB . 50102 1 345 . 1 . 1 77 77 ASP H H 1 8.330 . . 1 . . . . . 375 D HN . 50102 1 346 . 1 . 1 77 77 ASP C C 13 176.337 . . 1 . . . . . 375 D CO . 50102 1 347 . 1 . 1 77 77 ASP CA C 13 54.433 . . 1 . . . . . 375 D CA . 50102 1 348 . 1 . 1 77 77 ASP CB C 13 41.132 . . 1 . . . . . 375 D CB . 50102 1 349 . 1 . 1 77 77 ASP N N 15 119.592 . . 1 . . . . . 375 D N . 50102 1 350 . 1 . 1 78 78 LYS H H 1 8.232 . . 1 . . . . . 376 K HN . 50102 1 351 . 1 . 1 78 78 LYS C C 13 176.689 . . 1 . . . . . 376 K CO . 50102 1 352 . 1 . 1 78 78 LYS CA C 13 56.421 . . 1 . . . . . 376 K CA . 50102 1 353 . 1 . 1 78 78 LYS CB C 13 32.816 . . 1 . . . . . 376 K CB . 50102 1 354 . 1 . 1 78 78 LYS N N 15 121.518 . . 1 . . . . . 376 K N . 50102 1 355 . 1 . 1 79 79 THR H H 1 8.169 . . 1 . . . . . 377 T HN . 50102 1 356 . 1 . 1 79 79 THR C C 13 174.501 . . 1 . . . . . 377 T CO . 50102 1 357 . 1 . 1 79 79 THR CA C 13 62.462 . . 1 . . . . . 377 T CA . 50102 1 358 . 1 . 1 79 79 THR CB C 13 69.742 . . 1 . . . . . 377 T CB . 50102 1 359 . 1 . 1 79 79 THR N N 15 115.277 . . 1 . . . . . 377 T N . 50102 1 360 . 1 . 1 80 80 GLU H H 1 8.393 . . 1 . . . . . 378 E HN . 50102 1 361 . 1 . 1 80 80 GLU C C 13 176.096 . . 1 . . . . . 378 E CO . 50102 1 362 . 1 . 1 80 80 GLU CA C 13 56.474 . . 1 . . . . . 378 E CA . 50102 1 363 . 1 . 1 80 80 GLU CB C 13 30.462 . . 1 . . . . . 378 E CB . 50102 1 364 . 1 . 1 80 80 GLU N N 15 123.395 . . 1 . . . . . 378 E N . 50102 1 365 . 1 . 1 81 81 ILE H H 1 8.193 . . 1 . . . . . 379 I HN . 50102 1 366 . 1 . 1 81 81 ILE C C 13 176.336 . . 1 . . . . . 379 I CO . 50102 1 367 . 1 . 1 81 81 ILE CA C 13 61.157 . . 1 . . . . . 379 I CA . 50102 1 368 . 1 . 1 81 81 ILE CB C 13 38.423 . . 1 . . . . . 379 I CB . 50102 1 369 . 1 . 1 81 81 ILE N N 15 122.753 . . 1 . . . . . 379 I N . 50102 1 370 . 1 . 1 82 82 VAL H H 1 8.276 . . 1 . . . . . 380 V HN . 50102 1 371 . 1 . 1 82 82 VAL C C 13 175.950 . . 1 . . . . . 380 V CO . 50102 1 372 . 1 . 1 82 82 VAL CA C 13 62.358 . . 1 . . . . . 380 V CA . 50102 1 373 . 1 . 1 82 82 VAL CB C 13 32.892 . . 1 . . . . . 380 V CB . 50102 1 374 . 1 . 1 82 82 VAL N N 15 125.034 . . 1 . . . . . 380 V N . 50102 1 375 . 1 . 1 83 83 ASN H H 1 8.610 . . 1 . . . . . 381 N HN . 50102 1 376 . 1 . 1 83 83 ASN C C 13 175.716 . . 1 . . . . . 381 N CO . 50102 1 377 . 1 . 1 83 83 ASN CA C 13 53.535 . . 1 . . . . . 381 N CA . 50102 1 378 . 1 . 1 83 83 ASN CB C 13 38.850 . . 1 . . . . . 381 N CB . 50102 1 379 . 1 . 1 83 83 ASN N N 15 123.126 . . 1 . . . . . 381 N N . 50102 1 380 . 1 . 1 84 84 GLY H H 1 8.379 . . 1 . . . . . 382 G HN . 50102 1 381 . 1 . 1 84 84 GLY C C 13 173.739 . . 1 . . . . . 382 G CO . 50102 1 382 . 1 . 1 84 84 GLY CA C 13 45.520 . . 1 . . . . . 382 G CA . 50102 1 383 . 1 . 1 84 84 GLY N N 15 109.371 . . 1 . . . . . 382 G N . 50102 1 384 . 1 . 1 85 85 ALA H H 1 8.072 . . 1 . . . . . 383 A HN . 50102 1 385 . 1 . 1 85 85 ALA C C 13 177.710 . . 1 . . . . . 383 A CO . 50102 1 386 . 1 . 1 85 85 ALA CA C 13 52.384 . . 1 . . . . . 383 A CA . 50102 1 387 . 1 . 1 85 85 ALA CB C 13 19.371 . . 1 . . . . . 383 A CB . 50102 1 388 . 1 . 1 85 85 ALA N N 15 123.569 . . 1 . . . . . 383 A N . 50102 1 389 . 1 . 1 86 86 VAL H H 1 8.095 . . 1 . . . . . 384 V HN . 50102 1 390 . 1 . 1 86 86 VAL C C 13 176.326 . . 1 . . . . . 384 V CO . 50102 1 391 . 1 . 1 86 86 VAL CA C 13 62.511 . . 1 . . . . . 384 V CA . 50102 1 392 . 1 . 1 86 86 VAL CB C 13 32.744 . . 1 . . . . . 384 V CB . 50102 1 393 . 1 . 1 86 86 VAL N N 15 119.565 . . 1 . . . . . 384 V N . 50102 1 394 . 1 . 1 87 87 GLN H H 1 8.545 . . 1 . . . . . 385 Q HN . 50102 1 395 . 1 . 1 87 87 GLN C C 13 176.147 . . 1 . . . . . 385 Q CO . 50102 1 396 . 1 . 1 87 87 GLN CA C 13 55.768 . . 1 . . . . . 385 Q CA . 50102 1 397 . 1 . 1 87 87 GLN CB C 13 29.626 . . 1 . . . . . 385 Q CB . 50102 1 398 . 1 . 1 87 87 GLN N N 15 124.525 . . 1 . . . . . 385 Q N . 50102 1 399 . 1 . 1 88 88 THR H H 1 8.201 . . 1 . . . . . 386 T HN . 50102 1 400 . 1 . 1 88 88 THR C C 13 174.547 . . 1 . . . . . 386 T CO . 50102 1 401 . 1 . 1 88 88 THR CA C 13 62.008 . . 1 . . . . . 386 T CA . 50102 1 402 . 1 . 1 88 88 THR CB C 13 69.881 . . 1 . . . . . 386 T CB . 50102 1 403 . 1 . 1 88 88 THR N N 15 115.787 . . 1 . . . . . 386 T N . 50102 1 404 . 1 . 1 89 89 ALA H H 1 8.384 . . 1 . . . . . 387 A HN . 50102 1 405 . 1 . 1 89 89 ALA C C 13 177.563 . . 1 . . . . . 387 A CO . 50102 1 406 . 1 . 1 89 89 ALA CA C 13 52.919 . . 1 . . . . . 387 A CA . 50102 1 407 . 1 . 1 89 89 ALA CB C 13 19.153 . . 1 . . . . . 387 A CB . 50102 1 408 . 1 . 1 89 89 ALA N N 15 125.944 . . 1 . . . . . 387 A N . 50102 1 409 . 1 . 1 90 90 ASP H H 1 8.296 . . 1 . . . . . 388 D HN . 50102 1 410 . 1 . 1 90 90 ASP C C 13 176.361 . . 1 . . . . . 388 D CO . 50102 1 411 . 1 . 1 90 90 ASP CA C 13 54.526 . . 1 . . . . . 388 D CA . 50102 1 412 . 1 . 1 90 90 ASP CB C 13 41.075 . . 1 . . . . . 388 D CB . 50102 1 413 . 1 . 1 90 90 ASP N N 15 119.236 . . 1 . . . . . 388 D N . 50102 1 414 . 1 . 1 91 91 ARG H H 1 8.149 . . 1 . . . . . 389 R HN . 50102 1 415 . 1 . 1 91 91 ARG C C 13 176.247 . . 1 . . . . . 389 R CO . 50102 1 416 . 1 . 1 91 91 ARG CA C 13 56.200 . . 1 . . . . . 389 R CA . 50102 1 417 . 1 . 1 91 91 ARG CB C 13 30.661 . . 1 . . . . . 389 R CB . 50102 1 418 . 1 . 1 91 91 ARG N N 15 120.829 . . 1 . . . . . 389 R N . 50102 1 419 . 1 . 1 92 92 GLN H H 1 8.336 . . 1 . . . . . 390 Q HN . 50102 1 420 . 1 . 1 92 92 GLN C C 13 175.777 . . 1 . . . . . 390 Q CO . 50102 1 421 . 1 . 1 92 92 GLN CA C 13 55.902 . . 1 . . . . . 390 Q CA . 50102 1 422 . 1 . 1 92 92 GLN CB C 13 29.472 . . 1 . . . . . 390 Q CB . 50102 1 423 . 1 . 1 92 92 GLN N N 15 120.717 . . 1 . . . . . 390 Q N . 50102 1 424 . 1 . 1 93 93 ARG H H 1 8.336 . . 1 . . . . . 391 R HN . 50102 1 425 . 1 . 1 93 93 ARG C C 13 174.252 . . 1 . . . . . 391 R CO . 50102 1 426 . 1 . 1 93 93 ARG CA C 13 54.085 . . 1 . . . . . 391 R CA . 50102 1 427 . 1 . 1 93 93 ARG CB C 13 30.209 . . 1 . . . . . 391 R CB . 50102 1 428 . 1 . 1 93 93 ARG N N 15 123.426 . . 1 . . . . . 391 R N . 50102 1 429 . 1 . 1 94 94 PRO C C 13 177.469 . . 1 . . . . . 392 P CO . 50102 1 430 . 1 . 1 94 94 PRO CA C 13 63.491 . . 1 . . . . . 392 P CA . 50102 1 431 . 1 . 1 94 94 PRO CB C 13 32.133 . . 1 . . . . . 392 P CB . 50102 1 432 . 1 . 1 95 95 GLY H H 1 8.538 . . 1 . . . . . 393 G HN . 50102 1 433 . 1 . 1 95 95 GLY C C 13 174.067 . . 1 . . . . . 393 G CO . 50102 1 434 . 1 . 1 95 95 GLY CA C 13 45.158 . . 1 . . . . . 393 G CA . 50102 1 435 . 1 . 1 95 95 GLY N N 15 109.600 . . 1 . . . . . 393 G N . 50102 1 436 . 1 . 1 96 96 THR H H 1 8.009 . . 1 . . . . . 394 T HN . 50102 1 437 . 1 . 1 96 96 THR C C 13 172.733 . . 1 . . . . . 394 T CO . 50102 1 438 . 1 . 1 96 96 THR CA C 13 60.024 . . 1 . . . . . 394 T CA . 50102 1 439 . 1 . 1 96 96 THR CB C 13 69.988 . . 1 . . . . . 394 T CB . 50102 1 440 . 1 . 1 96 96 THR N N 15 116.655 . . 1 . . . . . 394 T N . 50102 1 441 . 1 . 1 97 97 PRO C C 13 176.648 . . 1 . . . . . 395 P CO . 50102 1 442 . 1 . 1 97 97 PRO CA C 13 63.085 . . 1 . . . . . 395 P CA . 50102 1 443 . 1 . 1 97 97 PRO CB C 13 32.103 . . 1 . . . . . 395 P CB . 50102 1 444 . 1 . 1 98 98 MET H H 1 8.475 . . 1 . . . . . 396 M HN . 50102 1 445 . 1 . 1 98 98 MET C C 13 174.407 . . 1 . . . . . 396 M CO . 50102 1 446 . 1 . 1 98 98 MET CA C 13 53.337 . . 1 . . . . . 396 M CA . 50102 1 447 . 1 . 1 98 98 MET CB C 13 32.548 . . 1 . . . . . 396 M CB . 50102 1 448 . 1 . 1 98 98 MET N N 15 122.377 . . 1 . . . . . 396 M N . 50102 1 449 . 1 . 1 99 99 PRO C C 13 176.980 . . 1 . . . . . 397 P CO . 50102 1 450 . 1 . 1 99 99 PRO CA C 13 63.161 . . 1 . . . . . 397 P CA . 50102 1 451 . 1 . 1 99 99 PRO CB C 13 32.241 . . 1 . . . . . 397 P CB . 50102 1 452 . 1 . 1 100 100 LYS H H 1 8.473 . . 1 . . . . . 398 K HN . 50102 1 453 . 1 . 1 100 100 LYS C C 13 176.875 . . 1 . . . . . 398 K CO . 50102 1 454 . 1 . 1 100 100 LYS CA C 13 56.556 . . 1 . . . . . 398 K CA . 50102 1 455 . 1 . 1 100 100 LYS CB C 13 33.023 . . 1 . . . . . 398 K CB . 50102 1 456 . 1 . 1 100 100 LYS N N 15 121.739 . . 1 . . . . . 398 K N . 50102 1 457 . 1 . 1 101 101 SER H H 1 8.291 . . 1 . . . . . 399 S HN . 50102 1 458 . 1 . 1 101 101 SER C C 13 174.700 . . 1 . . . . . 399 S CO . 50102 1 459 . 1 . 1 101 101 SER CA C 13 58.374 . . 1 . . . . . 399 S CA . 50102 1 460 . 1 . 1 101 101 SER CB C 13 63.862 . . 1 . . . . . 399 S CB . 50102 1 461 . 1 . 1 101 101 SER N N 15 116.584 . . 1 . . . . . 399 S N . 50102 1 462 . 1 . 1 102 102 ARG H H 1 8.446 . . 1 . . . . . 400 R HN . 50102 1 463 . 1 . 1 102 102 ARG C C 13 176.820 . . 1 . . . . . 400 R CO . 50102 1 464 . 1 . 1 102 102 ARG CA C 13 56.444 . . 1 . . . . . 400 R CA . 50102 1 465 . 1 . 1 102 102 ARG CB C 13 30.772 . . 1 . . . . . 400 R CB . 50102 1 466 . 1 . 1 102 102 ARG N N 15 123.174 . . 1 . . . . . 400 R N . 50102 1 467 . 1 . 1 103 103 GLY H H 1 8.432 . . 1 . . . . . 401 G HN . 50102 1 468 . 1 . 1 103 103 GLY C C 13 174.164 . . 1 . . . . . 401 G CO . 50102 1 469 . 1 . 1 103 103 GLY CA C 13 45.458 . . 1 . . . . . 401 G CA . 50102 1 470 . 1 . 1 103 103 GLY N N 15 109.694 . . 1 . . . . . 401 G N . 50102 1 stop_ save_