data_50101 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50101 _Entry.Title ; Nipah virus phosphoprotein residues 223-319 ; _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 . . . . 50101 2 Martin Blackledge . . . . 50101 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' . 50101 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50101 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 279 50101 '15N chemical shifts' 90 50101 '1H chemical shifts' 90 50101 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' 50101 1 . . 2020-01-10 2019-11-29 original author 'original release' 50101 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' 50101 BMRB 50099 'Nipah virus phosphoprotein residues 91-190' 50101 BMRB 50100 'Nipah virus phosphoprotein residues 173-240' 50101 BMRB 50102 'Nipah virus phosphoprotein residues 299-401' 50101 BMRB 50103 'Nipah virus phosphoprotein residues 387-479' 50101 BMRB 50105 'Nipah virus phosphoprotein residues 588-650' 50101 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50101 _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. . . 50101 1 2 Filip Yabukarski F. . . . 50101 1 3 Guillaume Communie G. . . . 50101 1 4 Eric Condamine E. . . . 50101 1 5 Caroline Mas C. . . . 50101 1 6 Valentina Volchkova V. . . . 50101 1 7 Nicolas Tarbouriech N. . . . 50101 1 8 Jean-Marie Bourhis J. M. . . 50101 1 9 Viktor Volchkov V. . . . 50101 1 10 Martin Blackledge M. . . . 50101 1 11 Marc Jamin M. . . . 50101 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50101 _Assembly.ID 1 _Assembly.Name 'Nipah virus phosphoprotein residues 223-319' _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 . . . 50101 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50101 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Nipah virus phosphoprotein residues 223-319' _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 ; MGPQTSRNVNLDSIKLYTSD DEEADQLEFEDEFAGSSSEV IVGISPEDEEPSSVGGKPNE SIGRTIEGQSIRDNLQAKDN KSTDVPGAGPKDSAVKEELE HHHHHH ; _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 106 _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 1 222 MET . 50101 1 2 223 GLY . 50101 1 3 224 PRO . 50101 1 4 225 GLN . 50101 1 5 226 THR . 50101 1 6 227 SER . 50101 1 7 228 ARG . 50101 1 8 229 ASN . 50101 1 9 230 VAL . 50101 1 10 231 ASN . 50101 1 11 232 LEU . 50101 1 12 233 ASP . 50101 1 13 234 SER . 50101 1 14 235 ILE . 50101 1 15 236 LYS . 50101 1 16 237 LEU . 50101 1 17 238 TYR . 50101 1 18 239 THR . 50101 1 19 240 SER . 50101 1 20 241 ASP . 50101 1 21 242 ASP . 50101 1 22 243 GLU . 50101 1 23 244 GLU . 50101 1 24 245 ALA . 50101 1 25 246 ASP . 50101 1 26 247 GLN . 50101 1 27 248 LEU . 50101 1 28 249 GLU . 50101 1 29 250 PHE . 50101 1 30 251 GLU . 50101 1 31 252 ASP . 50101 1 32 253 GLU . 50101 1 33 254 PHE . 50101 1 34 255 ALA . 50101 1 35 256 GLY . 50101 1 36 257 SER . 50101 1 37 258 SER . 50101 1 38 259 SER . 50101 1 39 260 GLU . 50101 1 40 261 VAL . 50101 1 41 262 ILE . 50101 1 42 263 VAL . 50101 1 43 264 GLY . 50101 1 44 265 ILE . 50101 1 45 266 SER . 50101 1 46 267 PRO . 50101 1 47 268 GLU . 50101 1 48 269 ASP . 50101 1 49 270 GLU . 50101 1 50 271 GLU . 50101 1 51 272 PRO . 50101 1 52 273 SER . 50101 1 53 274 SER . 50101 1 54 275 VAL . 50101 1 55 276 GLY . 50101 1 56 277 GLY . 50101 1 57 278 LYS . 50101 1 58 279 PRO . 50101 1 59 280 ASN . 50101 1 60 281 GLU . 50101 1 61 282 SER . 50101 1 62 283 ILE . 50101 1 63 284 GLY . 50101 1 64 285 ARG . 50101 1 65 286 THR . 50101 1 66 287 ILE . 50101 1 67 288 GLU . 50101 1 68 289 GLY . 50101 1 69 290 GLN . 50101 1 70 291 SER . 50101 1 71 292 ILE . 50101 1 72 293 ARG . 50101 1 73 294 ASP . 50101 1 74 295 ASN . 50101 1 75 296 LEU . 50101 1 76 297 GLN . 50101 1 77 298 ALA . 50101 1 78 299 LYS . 50101 1 79 300 ASP . 50101 1 80 301 ASN . 50101 1 81 302 LYS . 50101 1 82 303 SER . 50101 1 83 304 THR . 50101 1 84 305 ASP . 50101 1 85 306 VAL . 50101 1 86 307 PRO . 50101 1 87 308 GLY . 50101 1 88 309 ALA . 50101 1 89 310 GLY . 50101 1 90 311 PRO . 50101 1 91 312 LYS . 50101 1 92 313 ASP . 50101 1 93 314 SER . 50101 1 94 315 ALA . 50101 1 95 316 VAL . 50101 1 96 317 LYS . 50101 1 97 318 GLU . 50101 1 98 319 GLU . 50101 1 99 320 LEU . 50101 1 100 321 GLU . 50101 1 101 322 HIS . 50101 1 102 323 HIS . 50101 1 103 324 HIS . 50101 1 104 325 HIS . 50101 1 105 326 HIS . 50101 1 106 327 HIS . 50101 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 50101 1 . GLY 2 2 50101 1 . PRO 3 3 50101 1 . GLN 4 4 50101 1 . THR 5 5 50101 1 . SER 6 6 50101 1 . ARG 7 7 50101 1 . ASN 8 8 50101 1 . VAL 9 9 50101 1 . ASN 10 10 50101 1 . LEU 11 11 50101 1 . ASP 12 12 50101 1 . SER 13 13 50101 1 . ILE 14 14 50101 1 . LYS 15 15 50101 1 . LEU 16 16 50101 1 . TYR 17 17 50101 1 . THR 18 18 50101 1 . SER 19 19 50101 1 . ASP 20 20 50101 1 . ASP 21 21 50101 1 . GLU 22 22 50101 1 . GLU 23 23 50101 1 . ALA 24 24 50101 1 . ASP 25 25 50101 1 . GLN 26 26 50101 1 . LEU 27 27 50101 1 . GLU 28 28 50101 1 . PHE 29 29 50101 1 . GLU 30 30 50101 1 . ASP 31 31 50101 1 . GLU 32 32 50101 1 . PHE 33 33 50101 1 . ALA 34 34 50101 1 . GLY 35 35 50101 1 . SER 36 36 50101 1 . SER 37 37 50101 1 . SER 38 38 50101 1 . GLU 39 39 50101 1 . VAL 40 40 50101 1 . ILE 41 41 50101 1 . VAL 42 42 50101 1 . GLY 43 43 50101 1 . ILE 44 44 50101 1 . SER 45 45 50101 1 . PRO 46 46 50101 1 . GLU 47 47 50101 1 . ASP 48 48 50101 1 . GLU 49 49 50101 1 . GLU 50 50 50101 1 . PRO 51 51 50101 1 . SER 52 52 50101 1 . SER 53 53 50101 1 . VAL 54 54 50101 1 . GLY 55 55 50101 1 . GLY 56 56 50101 1 . LYS 57 57 50101 1 . PRO 58 58 50101 1 . ASN 59 59 50101 1 . GLU 60 60 50101 1 . SER 61 61 50101 1 . ILE 62 62 50101 1 . GLY 63 63 50101 1 . ARG 64 64 50101 1 . THR 65 65 50101 1 . ILE 66 66 50101 1 . GLU 67 67 50101 1 . GLY 68 68 50101 1 . GLN 69 69 50101 1 . SER 70 70 50101 1 . ILE 71 71 50101 1 . ARG 72 72 50101 1 . ASP 73 73 50101 1 . ASN 74 74 50101 1 . LEU 75 75 50101 1 . GLN 76 76 50101 1 . ALA 77 77 50101 1 . LYS 78 78 50101 1 . ASP 79 79 50101 1 . ASN 80 80 50101 1 . LYS 81 81 50101 1 . SER 82 82 50101 1 . THR 83 83 50101 1 . ASP 84 84 50101 1 . VAL 85 85 50101 1 . PRO 86 86 50101 1 . GLY 87 87 50101 1 . ALA 88 88 50101 1 . GLY 89 89 50101 1 . PRO 90 90 50101 1 . LYS 91 91 50101 1 . ASP 92 92 50101 1 . SER 93 93 50101 1 . ALA 94 94 50101 1 . VAL 95 95 50101 1 . LYS 96 96 50101 1 . GLU 97 97 50101 1 . GLU 98 98 50101 1 . LEU 99 99 50101 1 . GLU 100 100 50101 1 . HIS 101 101 50101 1 . HIS 102 102 50101 1 . HIS 103 103 50101 1 . HIS 104 104 50101 1 . HIS 105 105 50101 1 . HIS 106 106 50101 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 50101 _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' . . . . . . . . . . . . . 50101 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 50101 _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 . . . 50101 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50101 _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 . . . . 50101 1 2 'Bis-Tris ph 6.0' 'natural abundance' . . . . . . 20 . . mM . . . . 50101 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 50101 1 4 Arginine 'natural abundance' . . . . . . 50 . . mM . . . . 50101 1 5 glutamate 'natural abundance' . . . . . . 50 . . mM . . . . 50101 1 6 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 50101 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 50101 _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 50101 1 pH 6.0 . pH 50101 1 pressure 1 . atm 50101 1 temperature 298 . K 50101 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50101 _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 . . 50101 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'peak picking' 50101 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 50101 _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 50101 _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 . . . . . . . . . . . . . . . . 50101 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50101 1 3 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50101 1 4 '3D HNCOCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50101 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50101 1 6 '3D HNCOCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50101 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50101 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 50101 _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 . . . . . 50101 1 H 1 water protons . . . . ppm 4.774 internal direct 1 . . . . . 50101 1 N 15 water protons . . . . ppm 4.774 internal indirect 0.101329118 . . . . . 50101 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 50101 _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' . . . 50101 1 2 '3D HNCO' . . . 50101 1 3 '3D HNCACO' . . . 50101 1 4 '3D HNCOCA' . . . 50101 1 5 '3D HNCA' . . . 50101 1 6 '3D HNCOCACB' . . . 50101 1 7 '3D HNCACB' . . . 50101 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 3 3 PRO C C 13 177.228 . . 1 . . . . . 224 P CO . 50101 1 2 . 1 . 1 3 3 PRO CA C 13 63.302 . . 1 . . . . . 224 P CA . 50101 1 3 . 1 . 1 3 3 PRO CB C 13 32.164 . . 1 . . . . . 224 P CB . 50101 1 4 . 1 . 1 4 4 GLN H H 1 8.628 . . 1 . . . . . 225 Q HN . 50101 1 5 . 1 . 1 4 4 GLN C C 13 176.345 . . 1 . . . . . 225 Q CO . 50101 1 6 . 1 . 1 4 4 GLN CA C 13 55.966 . . 1 . . . . . 225 Q CA . 50101 1 7 . 1 . 1 4 4 GLN CB C 13 29.485 . . 1 . . . . . 225 Q CB . 50101 1 8 . 1 . 1 4 4 GLN N N 15 120.866 . . 1 . . . . . 225 Q N . 50101 1 9 . 1 . 1 5 5 THR H H 1 8.184 . . 1 . . . . . 226 T HN . 50101 1 10 . 1 . 1 5 5 THR C C 13 174.596 . . 1 . . . . . 226 T CO . 50101 1 11 . 1 . 1 5 5 THR CA C 13 61.933 . . 1 . . . . . 226 T CA . 50101 1 12 . 1 . 1 5 5 THR CB C 13 69.942 . . 1 . . . . . 226 T CB . 50101 1 13 . 1 . 1 5 5 THR N N 15 115.284 . . 1 . . . . . 226 T N . 50101 1 14 . 1 . 1 6 6 SER H H 1 8.352 . . 1 . . . . . 227 S HN . 50101 1 15 . 1 . 1 6 6 SER C C 13 174.428 . . 1 . . . . . 227 S CO . 50101 1 16 . 1 . 1 6 6 SER CA C 13 58.401 . . 1 . . . . . 227 S CA . 50101 1 17 . 1 . 1 6 6 SER CB C 13 63.894 . . 1 . . . . . 227 S CB . 50101 1 18 . 1 . 1 6 6 SER N N 15 118.102 . . 1 . . . . . 227 S N . 50101 1 19 . 1 . 1 7 7 ARG H H 1 8.360 . . 1 . . . . . 228 R HN . 50101 1 20 . 1 . 1 7 7 ARG C C 13 175.902 . . 1 . . . . . 228 R CO . 50101 1 21 . 1 . 1 7 7 ARG CA C 13 56.227 . . 1 . . . . . 228 R CA . 50101 1 22 . 1 . 1 7 7 ARG CB C 13 30.909 . . 1 . . . . . 228 R CB . 50101 1 23 . 1 . 1 7 7 ARG N N 15 122.706 . . 1 . . . . . 228 R N . 50101 1 24 . 1 . 1 8 8 ASN H H 1 8.466 . . 1 . . . . . 229 N HN . 50101 1 25 . 1 . 1 8 8 ASN C C 13 175.213 . . 1 . . . . . 229 N CO . 50101 1 26 . 1 . 1 8 8 ASN CA C 13 53.270 . . 1 . . . . . 229 N CA . 50101 1 27 . 1 . 1 8 8 ASN CB C 13 38.780 . . 1 . . . . . 229 N CB . 50101 1 28 . 1 . 1 8 8 ASN N N 15 120.144 . . 1 . . . . . 229 N N . 50101 1 29 . 1 . 1 9 9 VAL H H 1 8.062 . . 1 . . . . . 230 V HN . 50101 1 30 . 1 . 1 9 9 VAL C C 13 175.688 . . 1 . . . . . 230 V CO . 50101 1 31 . 1 . 1 9 9 VAL CA C 13 62.420 . . 1 . . . . . 230 V CA . 50101 1 32 . 1 . 1 9 9 VAL CB C 13 32.789 . . 1 . . . . . 230 V CB . 50101 1 33 . 1 . 1 9 9 VAL N N 15 119.995 . . 1 . . . . . 230 V N . 50101 1 34 . 1 . 1 10 10 ASN H H 1 8.475 . . 1 . . . . . 231 N HN . 50101 1 35 . 1 . 1 10 10 ASN C C 13 175.462 . . 1 . . . . . 231 N CO . 50101 1 36 . 1 . 1 10 10 ASN CA C 13 53.317 . . 1 . . . . . 231 N CA . 50101 1 37 . 1 . 1 10 10 ASN CB C 13 38.807 . . 1 . . . . . 231 N CB . 50101 1 38 . 1 . 1 10 10 ASN N N 15 121.754 . . 1 . . . . . 231 N N . 50101 1 39 . 1 . 1 11 11 LEU H H 1 8.256 . . 1 . . . . . 232 L HN . 50101 1 40 . 1 . 1 11 11 LEU C C 13 177.420 . . 1 . . . . . 232 L CO . 50101 1 41 . 1 . 1 11 11 LEU CA C 13 55.711 . . 1 . . . . . 232 L CA . 50101 1 42 . 1 . 1 11 11 LEU CB C 13 42.163 . . 1 . . . . . 232 L CB . 50101 1 43 . 1 . 1 11 11 LEU N N 15 123.031 . . 1 . . . . . 232 L N . 50101 1 44 . 1 . 1 12 12 ASP H H 1 8.270 . . 1 . . . . . 233 D HN . 50101 1 45 . 1 . 1 12 12 ASP C C 13 176.541 . . 1 . . . . . 233 D CO . 50101 1 46 . 1 . 1 12 12 ASP CA C 13 54.940 . . 1 . . . . . 233 D CA . 50101 1 47 . 1 . 1 12 12 ASP CB C 13 41.024 . . 1 . . . . . 233 D CB . 50101 1 48 . 1 . 1 12 12 ASP N N 15 120.036 . . 1 . . . . . 233 D N . 50101 1 49 . 1 . 1 13 13 SER H H 1 8.039 . . 1 . . . . . 234 S HN . 50101 1 50 . 1 . 1 13 13 SER C C 13 174.596 . . 1 . . . . . 234 S CO . 50101 1 51 . 1 . 1 13 13 SER CA C 13 58.708 . . 1 . . . . . 234 S CA . 50101 1 52 . 1 . 1 13 13 SER CB C 13 63.799 . . 1 . . . . . 234 S CB . 50101 1 53 . 1 . 1 13 13 SER N N 15 115.105 . . 1 . . . . . 234 S N . 50101 1 54 . 1 . 1 14 14 ILE H H 1 7.933 . . 1 . . . . . 235 I HN . 50101 1 55 . 1 . 1 14 14 ILE C C 13 176.130 . . 1 . . . . . 235 I CO . 50101 1 56 . 1 . 1 14 14 ILE CA C 13 61.526 . . 1 . . . . . 235 I CA . 50101 1 57 . 1 . 1 14 14 ILE CB C 13 38.596 . . 1 . . . . . 235 I CB . 50101 1 58 . 1 . 1 14 14 ILE N N 15 121.960 . . 1 . . . . . 235 I N . 50101 1 59 . 1 . 1 15 15 LYS H H 1 8.207 . . 1 . . . . . 236 K HN . 50101 1 60 . 1 . 1 15 15 LYS C C 13 175.982 . . 1 . . . . . 236 K CO . 50101 1 61 . 1 . 1 15 15 LYS CA C 13 56.155 . . 1 . . . . . 236 K CA . 50101 1 62 . 1 . 1 15 15 LYS CB C 13 32.970 . . 1 . . . . . 236 K CB . 50101 1 63 . 1 . 1 15 15 LYS N N 15 124.946 . . 1 . . . . . 236 K N . 50101 1 64 . 1 . 1 16 16 LEU H H 1 8.132 . . 1 . . . . . 237 L HN . 50101 1 65 . 1 . 1 16 16 LEU C C 13 176.811 . . 1 . . . . . 237 L CO . 50101 1 66 . 1 . 1 16 16 LEU CA C 13 55.065 . . 1 . . . . . 237 L CA . 50101 1 67 . 1 . 1 16 16 LEU CB C 13 42.622 . . 1 . . . . . 237 L CB . 50101 1 68 . 1 . 1 16 16 LEU N N 15 123.426 . . 1 . . . . . 237 L N . 50101 1 69 . 1 . 1 17 17 TYR H H 1 8.151 . . 1 . . . . . 238 Y HN . 50101 1 70 . 1 . 1 17 17 TYR C C 13 175.847 . . 1 . . . . . 238 Y CO . 50101 1 71 . 1 . 1 17 17 TYR CA C 13 57.703 . . 1 . . . . . 238 Y CA . 50101 1 72 . 1 . 1 17 17 TYR CB C 13 39.058 . . 1 . . . . . 238 Y CB . 50101 1 73 . 1 . 1 17 17 TYR N N 15 120.575 . . 1 . . . . . 238 Y N . 50101 1 74 . 1 . 1 18 18 THR H H 1 8.136 . . 1 . . . . . 239 T HN . 50101 1 75 . 1 . 1 18 18 THR C C 13 174.290 . . 1 . . . . . 239 T CO . 50101 1 76 . 1 . 1 18 18 THR CA C 13 61.352 . . 1 . . . . . 239 T CA . 50101 1 77 . 1 . 1 18 18 THR CB C 13 70.221 . . 1 . . . . . 239 T CB . 50101 1 78 . 1 . 1 18 18 THR N N 15 115.628 . . 1 . . . . . 239 T N . 50101 1 79 . 1 . 1 19 19 SER H H 1 8.348 . . 1 . . . . . 240 S HN . 50101 1 80 . 1 . 1 19 19 SER C C 13 174.428 . . 1 . . . . . 240 S CO . 50101 1 81 . 1 . 1 19 19 SER CA C 13 58.419 . . 1 . . . . . 240 S CA . 50101 1 82 . 1 . 1 19 19 SER CB C 13 63.917 . . 1 . . . . . 240 S CB . 50101 1 83 . 1 . 1 19 19 SER N N 15 117.744 . . 1 . . . . . 240 S N . 50101 1 84 . 1 . 1 20 20 ASP H H 1 8.411 . . 1 . . . . . 241 D HN . 50101 1 85 . 1 . 1 20 20 ASP C C 13 176.083 . . 1 . . . . . 241 D CO . 50101 1 86 . 1 . 1 20 20 ASP CA C 13 54.800 . . 1 . . . . . 241 D CA . 50101 1 87 . 1 . 1 20 20 ASP CB C 13 41.071 . . 1 . . . . . 241 D CB . 50101 1 88 . 1 . 1 20 20 ASP N N 15 122.308 . . 1 . . . . . 241 D N . 50101 1 89 . 1 . 1 21 21 ASP H H 1 8.214 . . 1 . . . . . 242 D HN . 50101 1 90 . 1 . 1 21 21 ASP C C 13 176.366 . . 1 . . . . . 242 D CO . 50101 1 91 . 1 . 1 21 21 ASP CA C 13 54.628 . . 1 . . . . . 242 D CA . 50101 1 92 . 1 . 1 21 21 ASP CB C 13 41.151 . . 1 . . . . . 242 D CB . 50101 1 93 . 1 . 1 21 21 ASP N N 15 120.090 . . 1 . . . . . 242 D N . 50101 1 94 . 1 . 1 22 22 GLU H H 1 8.259 . . 1 . . . . . 243 E HN . 50101 1 95 . 1 . 1 22 22 GLU C C 13 176.775 . . 1 . . . . . 243 E CO . 50101 1 96 . 1 . 1 22 22 GLU CA C 13 56.973 . . 1 . . . . . 243 E CA . 50101 1 97 . 1 . 1 22 22 GLU CB C 13 30.155 . . 1 . . . . . 243 E CB . 50101 1 98 . 1 . 1 22 22 GLU N N 15 120.960 . . 1 . . . . . 243 E N . 50101 1 99 . 1 . 1 23 23 GLU H H 1 8.348 . . 1 . . . . . 244 E HN . 50101 1 100 . 1 . 1 23 23 GLU C C 13 176.491 . . 1 . . . . . 244 E CO . 50101 1 101 . 1 . 1 23 23 GLU CA C 13 56.601 . . 1 . . . . . 244 E CA . 50101 1 102 . 1 . 1 23 23 GLU CB C 13 30.080 . . 1 . . . . . 244 E CB . 50101 1 103 . 1 . 1 23 23 GLU N N 15 121.307 . . 1 . . . . . 244 E N . 50101 1 104 . 1 . 1 24 24 ALA H H 1 8.186 . . 1 . . . . . 245 A HN . 50101 1 105 . 1 . 1 24 24 ALA C C 13 177.759 . . 1 . . . . . 245 A CO . 50101 1 106 . 1 . 1 24 24 ALA CA C 13 52.867 . . 1 . . . . . 245 A CA . 50101 1 107 . 1 . 1 24 24 ALA CB C 13 19.260 . . 1 . . . . . 245 A CB . 50101 1 108 . 1 . 1 24 24 ALA N N 15 124.633 . . 1 . . . . . 245 A N . 50101 1 109 . 1 . 1 25 25 ASP H H 1 8.287 . . 1 . . . . . 246 D HN . 50101 1 110 . 1 . 1 25 25 ASP C C 13 176.335 . . 1 . . . . . 246 D CO . 50101 1 111 . 1 . 1 25 25 ASP CA C 13 54.617 . . 1 . . . . . 246 D CA . 50101 1 112 . 1 . 1 25 25 ASP CB C 13 40.996 . . 1 . . . . . 246 D CB . 50101 1 113 . 1 . 1 25 25 ASP N N 15 119.345 . . 1 . . . . . 246 D N . 50101 1 114 . 1 . 1 26 26 GLN H H 1 8.214 . . 1 . . . . . 247 Q HN . 50101 1 115 . 1 . 1 26 26 GLN C C 13 175.991 . . 1 . . . . . 247 Q CO . 50101 1 116 . 1 . 1 26 26 GLN CA C 13 55.889 . . 1 . . . . . 247 Q CA . 50101 1 117 . 1 . 1 26 26 GLN CB C 13 29.371 . . 1 . . . . . 247 Q CB . 50101 1 118 . 1 . 1 26 26 GLN N N 15 120.171 . . 1 . . . . . 247 Q N . 50101 1 119 . 1 . 1 27 27 LEU H H 1 8.198 . . 1 . . . . . 248 L HN . 50101 1 120 . 1 . 1 27 27 LEU C C 13 177.283 . . 1 . . . . . 248 L CO . 50101 1 121 . 1 . 1 27 27 LEU CA C 13 55.428 . . 1 . . . . . 248 L CA . 50101 1 122 . 1 . 1 27 27 LEU CB C 13 42.347 . . 1 . . . . . 248 L CB . 50101 1 123 . 1 . 1 27 27 LEU N N 15 122.998 . . 1 . . . . . 248 L N . 50101 1 124 . 1 . 1 28 28 GLU H H 1 8.235 . . 1 . . . . . 249 E HN . 50101 1 125 . 1 . 1 28 28 GLU C C 13 175.981 . . 1 . . . . . 249 E CO . 50101 1 126 . 1 . 1 28 28 GLU CA C 13 56.481 . . 1 . . . . . 249 E CA . 50101 1 127 . 1 . 1 28 28 GLU CB C 13 30.312 . . 1 . . . . . 249 E CB . 50101 1 128 . 1 . 1 28 28 GLU N N 15 121.051 . . 1 . . . . . 249 E N . 50101 1 129 . 1 . 1 29 29 PHE H H 1 8.172 . . 1 . . . . . 250 F HN . 50101 1 130 . 1 . 1 29 29 PHE C C 13 175.631 . . 1 . . . . . 250 F CO . 50101 1 131 . 1 . 1 29 29 PHE CA C 13 57.569 . . 1 . . . . . 250 F CA . 50101 1 132 . 1 . 1 29 29 PHE CB C 13 39.775 . . 1 . . . . . 250 F CB . 50101 1 133 . 1 . 1 29 29 PHE N N 15 120.637 . . 1 . . . . . 250 F N . 50101 1 134 . 1 . 1 30 30 GLU H H 1 8.321 . . 1 . . . . . 251 E HN . 50101 1 135 . 1 . 1 30 30 GLU C C 13 175.883 . . 1 . . . . . 251 E CO . 50101 1 136 . 1 . 1 30 30 GLU CA C 13 56.522 . . 1 . . . . . 251 E CA . 50101 1 137 . 1 . 1 30 30 GLU CB C 13 30.471 . . 1 . . . . . 251 E CB . 50101 1 138 . 1 . 1 30 30 GLU N N 15 122.388 . . 1 . . . . . 251 E N . 50101 1 139 . 1 . 1 31 31 ASP H H 1 8.306 . . 1 . . . . . 252 D HN . 50101 1 140 . 1 . 1 31 31 ASP C C 13 176.508 . . 1 . . . . . 252 D CO . 50101 1 141 . 1 . 1 31 31 ASP CA C 13 54.363 . . 1 . . . . . 252 D CA . 50101 1 142 . 1 . 1 31 31 ASP CB C 13 41.390 . . 1 . . . . . 252 D CB . 50101 1 143 . 1 . 1 31 31 ASP N N 15 121.572 . . 1 . . . . . 252 D N . 50101 1 144 . 1 . 1 32 32 GLU H H 1 8.436 . . 1 . . . . . 253 E HN . 50101 1 145 . 1 . 1 32 32 GLU C C 13 176.392 . . 1 . . . . . 253 E CO . 50101 1 146 . 1 . 1 32 32 GLU CA C 13 57.205 . . 1 . . . . . 253 E CA . 50101 1 147 . 1 . 1 32 32 GLU CB C 13 29.992 . . 1 . . . . . 253 E CB . 50101 1 148 . 1 . 1 32 32 GLU N N 15 121.828 . . 1 . . . . . 253 E N . 50101 1 149 . 1 . 1 33 33 PHE H H 1 8.266 . . 1 . . . . . 254 F HN . 50101 1 150 . 1 . 1 33 33 PHE C C 13 175.855 . . 1 . . . . . 254 F CO . 50101 1 151 . 1 . 1 33 33 PHE CA C 13 57.765 . . 1 . . . . . 254 F CA . 50101 1 152 . 1 . 1 33 33 PHE CB C 13 39.200 . . 1 . . . . . 254 F CB . 50101 1 153 . 1 . 1 33 33 PHE N N 15 120.137 . . 1 . . . . . 254 F N . 50101 1 154 . 1 . 1 34 34 ALA H H 1 8.061 . . 1 . . . . . 255 A HN . 50101 1 155 . 1 . 1 34 34 ALA C C 13 178.134 . . 1 . . . . . 255 A CO . 50101 1 156 . 1 . 1 34 34 ALA CA C 13 52.909 . . 1 . . . . . 255 A CA . 50101 1 157 . 1 . 1 34 34 ALA CB C 13 19.064 . . 1 . . . . . 255 A CB . 50101 1 158 . 1 . 1 34 34 ALA N N 15 125.530 . . 1 . . . . . 255 A N . 50101 1 159 . 1 . 1 35 35 GLY H H 1 7.998 . . 1 . . . . . 256 G HN . 50101 1 160 . 1 . 1 35 35 GLY C C 13 174.319 . . 1 . . . . . 256 G CO . 50101 1 161 . 1 . 1 35 35 GLY CA C 13 45.383 . . 1 . . . . . 256 G CA . 50101 1 162 . 1 . 1 35 35 GLY N N 15 107.727 . . 1 . . . . . 256 G N . 50101 1 163 . 1 . 1 36 36 SER H H 1 8.194 . . 1 . . . . . 257 S HN . 50101 1 164 . 1 . 1 36 36 SER C C 13 174.835 . . 1 . . . . . 257 S CO . 50101 1 165 . 1 . 1 36 36 SER CA C 13 58.418 . . 1 . . . . . 257 S CA . 50101 1 166 . 1 . 1 36 36 SER CB C 13 64.053 . . 1 . . . . . 257 S CB . 50101 1 167 . 1 . 1 36 36 SER N N 15 115.570 . . 1 . . . . . 257 S N . 50101 1 168 . 1 . 1 37 37 SER H H 1 8.451 . . 1 . . . . . 258 S HN . 50101 1 169 . 1 . 1 37 37 SER C C 13 174.697 . . 1 . . . . . 258 S CO . 50101 1 170 . 1 . 1 37 37 SER CA C 13 58.503 . . 1 . . . . . 258 S CA . 50101 1 171 . 1 . 1 37 37 SER CB C 13 63.861 . . 1 . . . . . 258 S CB . 50101 1 172 . 1 . 1 37 37 SER N N 15 117.872 . . 1 . . . . . 258 S N . 50101 1 173 . 1 . 1 38 38 SER H H 1 8.342 . . 1 . . . . . 259 S HN . 50101 1 174 . 1 . 1 38 38 SER C C 13 174.368 . . 1 . . . . . 259 S CO . 50101 1 175 . 1 . 1 38 38 SER CA C 13 58.600 . . 1 . . . . . 259 S CA . 50101 1 176 . 1 . 1 38 38 SER CB C 13 63.910 . . 1 . . . . . 259 S CB . 50101 1 177 . 1 . 1 38 38 SER N N 15 117.747 . . 1 . . . . . 259 S N . 50101 1 178 . 1 . 1 39 39 GLU H H 1 8.339 . . 1 . . . . . 260 E HN . 50101 1 179 . 1 . 1 39 39 GLU C C 13 176.173 . . 1 . . . . . 260 E CO . 50101 1 180 . 1 . 1 39 39 GLU CA C 13 56.556 . . 1 . . . . . 260 E CA . 50101 1 181 . 1 . 1 39 39 GLU CB C 13 30.266 . . 1 . . . . . 260 E CB . 50101 1 182 . 1 . 1 39 39 GLU N N 15 122.763 . . 1 . . . . . 260 E N . 50101 1 183 . 1 . 1 40 40 VAL H H 1 8.140 . . 1 . . . . . 261 V HN . 50101 1 184 . 1 . 1 40 40 VAL C C 13 175.844 . . 1 . . . . . 261 V CO . 50101 1 185 . 1 . 1 40 40 VAL CA C 13 62.539 . . 1 . . . . . 261 V CA . 50101 1 186 . 1 . 1 40 40 VAL CB C 13 32.725 . . 1 . . . . . 261 V CB . 50101 1 187 . 1 . 1 40 40 VAL N N 15 122.079 . . 1 . . . . . 261 V N . 50101 1 188 . 1 . 1 41 41 ILE H H 1 8.304 . . 1 . . . . . 262 I HN . 50101 1 189 . 1 . 1 41 41 ILE C C 13 176.144 . . 1 . . . . . 262 I CO . 50101 1 190 . 1 . 1 41 41 ILE CA C 13 60.805 . . 1 . . . . . 262 I CA . 50101 1 191 . 1 . 1 41 41 ILE CB C 13 38.457 . . 1 . . . . . 262 I CB . 50101 1 192 . 1 . 1 41 41 ILE N N 15 126.314 . . 1 . . . . . 262 I N . 50101 1 193 . 1 . 1 42 42 VAL H H 1 8.292 . . 1 . . . . . 263 V HN . 50101 1 194 . 1 . 1 42 42 VAL C C 13 176.421 . . 1 . . . . . 263 V CO . 50101 1 195 . 1 . 1 42 42 VAL CA C 13 62.459 . . 1 . . . . . 263 V CA . 50101 1 196 . 1 . 1 42 42 VAL CB C 13 32.858 . . 1 . . . . . 263 V CB . 50101 1 197 . 1 . 1 42 42 VAL N N 15 125.580 . . 1 . . . . . 263 V N . 50101 1 198 . 1 . 1 43 43 GLY H H 1 8.445 . . 1 . . . . . 264 G HN . 50101 1 199 . 1 . 1 43 43 GLY C C 13 173.681 . . 1 . . . . . 264 G CO . 50101 1 200 . 1 . 1 43 43 GLY CA C 13 45.170 . . 1 . . . . . 264 G CA . 50101 1 201 . 1 . 1 43 43 GLY N N 15 112.842 . . 1 . . . . . 264 G N . 50101 1 202 . 1 . 1 44 44 ILE H H 1 7.991 . . 1 . . . . . 265 I HN . 50101 1 203 . 1 . 1 44 44 ILE C C 13 176.204 . . 1 . . . . . 265 I CO . 50101 1 204 . 1 . 1 44 44 ILE CA C 13 60.821 . . 1 . . . . . 265 I CA . 50101 1 205 . 1 . 1 44 44 ILE CB C 13 39.166 . . 1 . . . . . 265 I CB . 50101 1 206 . 1 . 1 44 44 ILE N N 15 119.998 . . 1 . . . . . 265 I N . 50101 1 207 . 1 . 1 45 45 SER H H 1 8.597 . . 1 . . . . . 266 S HN . 50101 1 208 . 1 . 1 45 45 SER C C 13 173.025 . . 1 . . . . . 266 S CO . 50101 1 209 . 1 . 1 45 45 SER CA C 13 56.352 . . 1 . . . . . 266 S CA . 50101 1 210 . 1 . 1 45 45 SER CB C 13 63.420 . . 1 . . . . . 266 S CB . 50101 1 211 . 1 . 1 45 45 SER N N 15 122.087 . . 1 . . . . . 266 S N . 50101 1 212 . 1 . 1 46 46 PRO C C 13 177.371 . . 1 . . . . . 267 P CO . 50101 1 213 . 1 . 1 46 46 PRO CA C 13 63.764 . . 1 . . . . . 267 P CA . 50101 1 214 . 1 . 1 46 46 PRO CB C 13 32.129 . . 1 . . . . . 267 P CB . 50101 1 215 . 1 . 1 47 47 GLU H H 1 8.514 . . 1 . . . . . 268 E HN . 50101 1 216 . 1 . 1 47 47 GLU C C 13 176.420 . . 1 . . . . . 268 E CO . 50101 1 217 . 1 . 1 47 47 GLU CA C 13 57.020 . . 1 . . . . . 268 E CA . 50101 1 218 . 1 . 1 47 47 GLU CB C 13 29.964 . . 1 . . . . . 268 E CB . 50101 1 219 . 1 . 1 47 47 GLU N N 15 119.748 . . 1 . . . . . 268 E N . 50101 1 220 . 1 . 1 48 48 ASP H H 1 8.182 . . 1 . . . . . 269 D HN . 50101 1 221 . 1 . 1 48 48 ASP C C 13 176.027 . . 1 . . . . . 269 D CO . 50101 1 222 . 1 . 1 48 48 ASP CA C 13 54.483 . . 1 . . . . . 269 D CA . 50101 1 223 . 1 . 1 48 48 ASP CB C 13 41.278 . . 1 . . . . . 269 D CB . 50101 1 224 . 1 . 1 48 48 ASP N N 15 120.497 . . 1 . . . . . 269 D N . 50101 1 225 . 1 . 1 49 49 GLU H H 1 8.097 . . 1 . . . . . 270 E HN . 50101 1 226 . 1 . 1 49 49 GLU C C 13 176.181 . . 1 . . . . . 270 E CO . 50101 1 227 . 1 . 1 49 49 GLU CA C 13 56.294 . . 1 . . . . . 270 E CA . 50101 1 228 . 1 . 1 49 49 GLU CB C 13 30.588 . . 1 . . . . . 270 E CB . 50101 1 229 . 1 . 1 49 49 GLU N N 15 120.680 . . 1 . . . . . 270 E N . 50101 1 230 . 1 . 1 50 50 GLU H H 1 8.420 . . 1 . . . . . 271 E HN . 50101 1 231 . 1 . 1 50 50 GLU C C 13 174.679 . . 1 . . . . . 271 E CO . 50101 1 232 . 1 . 1 50 50 GLU CA C 13 54.400 . . 1 . . . . . 271 E CA . 50101 1 233 . 1 . 1 50 50 GLU CB C 13 29.742 . . 1 . . . . . 271 E CB . 50101 1 234 . 1 . 1 50 50 GLU N N 15 123.575 . . 1 . . . . . 271 E N . 50101 1 235 . 1 . 1 51 51 PRO C C 13 177.198 . . 1 . . . . . 272 P CO . 50101 1 236 . 1 . 1 51 51 PRO CA C 13 63.460 . . 1 . . . . . 272 P CA . 50101 1 237 . 1 . 1 51 51 PRO CB C 13 32.139 . . 1 . . . . . 272 P CB . 50101 1 238 . 1 . 1 52 52 SER H H 1 8.480 . . 1 . . . . . 273 S HN . 50101 1 239 . 1 . 1 52 52 SER C C 13 174.910 . . 1 . . . . . 273 S CO . 50101 1 240 . 1 . 1 52 52 SER CA C 13 58.585 . . 1 . . . . . 273 S CA . 50101 1 241 . 1 . 1 52 52 SER CB C 13 63.821 . . 1 . . . . . 273 S CB . 50101 1 242 . 1 . 1 52 52 SER N N 15 115.862 . . 1 . . . . . 273 S N . 50101 1 243 . 1 . 1 53 53 SER H H 1 8.352 . . 1 . . . . . 274 S HN . 50101 1 244 . 1 . 1 53 53 SER C C 13 174.713 . . 1 . . . . . 274 S CO . 50101 1 245 . 1 . 1 53 53 SER CA C 13 58.365 . . 1 . . . . . 274 S CA . 50101 1 246 . 1 . 1 53 53 SER CB C 13 63.919 . . 1 . . . . . 274 S CB . 50101 1 247 . 1 . 1 53 53 SER N N 15 117.923 . . 1 . . . . . 274 S N . 50101 1 248 . 1 . 1 54 54 VAL H H 1 8.124 . . 1 . . . . . 275 V HN . 50101 1 249 . 1 . 1 54 54 VAL C C 13 176.820 . . 1 . . . . . 275 V CO . 50101 1 250 . 1 . 1 54 54 VAL CA C 13 62.685 . . 1 . . . . . 275 V CA . 50101 1 251 . 1 . 1 54 54 VAL CB C 13 32.650 . . 1 . . . . . 275 V CB . 50101 1 252 . 1 . 1 54 54 VAL N N 15 121.299 . . 1 . . . . . 275 V N . 50101 1 253 . 1 . 1 55 55 GLY H H 1 8.472 . . 1 . . . . . 276 G HN . 50101 1 254 . 1 . 1 55 55 GLY C C 13 174.633 . . 1 . . . . . 276 G CO . 50101 1 255 . 1 . 1 55 55 GLY CA C 13 45.353 . . 1 . . . . . 276 G CA . 50101 1 256 . 1 . 1 55 55 GLY N N 15 112.376 . . 1 . . . . . 276 G N . 50101 1 257 . 1 . 1 56 56 GLY H H 1 8.217 . . 1 . . . . . 277 G HN . 50101 1 258 . 1 . 1 56 56 GLY C C 13 173.809 . . 1 . . . . . 277 G CO . 50101 1 259 . 1 . 1 56 56 GLY CA C 13 45.055 . . 1 . . . . . 277 G CA . 50101 1 260 . 1 . 1 56 56 GLY N N 15 108.610 . . 1 . . . . . 277 G N . 50101 1 261 . 1 . 1 57 57 LYS H H 1 8.217 . . 1 . . . . . 278 K HN . 50101 1 262 . 1 . 1 57 57 LYS C C 13 174.814 . . 1 . . . . . 278 K CO . 50101 1 263 . 1 . 1 57 57 LYS CA C 13 54.266 . . 1 . . . . . 278 K CA . 50101 1 264 . 1 . 1 57 57 LYS CB C 13 32.606 . . 1 . . . . . 278 K CB . 50101 1 265 . 1 . 1 57 57 LYS N N 15 121.875 . . 1 . . . . . 278 K N . 50101 1 266 . 1 . 1 58 58 PRO C C 13 176.864 . . 1 . . . . . 279 P CO . 50101 1 267 . 1 . 1 58 58 PRO CA C 13 63.461 . . 1 . . . . . 279 P CA . 50101 1 268 . 1 . 1 58 58 PRO CB C 13 32.084 . . 1 . . . . . 279 P CB . 50101 1 269 . 1 . 1 59 59 ASN H H 1 8.563 . . 1 . . . . . 280 N HN . 50101 1 270 . 1 . 1 59 59 ASN C C 13 175.464 . . 1 . . . . . 280 N CO . 50101 1 271 . 1 . 1 59 59 ASN CA C 13 53.593 . . 1 . . . . . 280 N CA . 50101 1 272 . 1 . 1 59 59 ASN CB C 13 38.731 . . 1 . . . . . 280 N CB . 50101 1 273 . 1 . 1 59 59 ASN N N 15 118.698 . . 1 . . . . . 280 N N . 50101 1 274 . 1 . 1 60 60 GLU H H 1 8.368 . . 1 . . . . . 281 E HN . 50101 1 275 . 1 . 1 60 60 GLU C C 13 176.484 . . 1 . . . . . 281 E CO . 50101 1 276 . 1 . 1 60 60 GLU CA C 13 56.740 . . 1 . . . . . 281 E CA . 50101 1 277 . 1 . 1 60 60 GLU CB C 13 30.367 . . 1 . . . . . 281 E CB . 50101 1 278 . 1 . 1 60 60 GLU N N 15 121.472 . . 1 . . . . . 281 E N . 50101 1 279 . 1 . 1 61 61 SER H H 1 8.371 . . 1 . . . . . 282 S HN . 50101 1 280 . 1 . 1 61 61 SER C C 13 174.680 . . 1 . . . . . 282 S CO . 50101 1 281 . 1 . 1 61 61 SER CA C 13 58.576 . . 1 . . . . . 282 S CA . 50101 1 282 . 1 . 1 61 61 SER CB C 13 63.772 . . 1 . . . . . 282 S CB . 50101 1 283 . 1 . 1 61 61 SER N N 15 116.674 . . 1 . . . . . 282 S N . 50101 1 284 . 1 . 1 62 62 ILE H H 1 8.053 . . 1 . . . . . 283 I HN . 50101 1 285 . 1 . 1 62 62 ILE C C 13 176.818 . . 1 . . . . . 283 I CO . 50101 1 286 . 1 . 1 62 62 ILE CA C 13 61.608 . . 1 . . . . . 283 I CA . 50101 1 287 . 1 . 1 62 62 ILE CB C 13 38.683 . . 1 . . . . . 283 I CB . 50101 1 288 . 1 . 1 62 62 ILE N N 15 122.301 . . 1 . . . . . 283 I N . 50101 1 289 . 1 . 1 63 63 GLY H H 1 8.464 . . 1 . . . . . 284 G HN . 50101 1 290 . 1 . 1 63 63 GLY C C 13 173.990 . . 1 . . . . . 284 G CO . 50101 1 291 . 1 . 1 63 63 GLY CA C 13 45.402 . . 1 . . . . . 284 G CA . 50101 1 292 . 1 . 1 63 63 GLY N N 15 112.450 . . 1 . . . . . 284 G N . 50101 1 293 . 1 . 1 64 64 ARG H H 1 8.124 . . 1 . . . . . 285 R HN . 50101 1 294 . 1 . 1 64 64 ARG C C 13 176.502 . . 1 . . . . . 285 R CO . 50101 1 295 . 1 . 1 64 64 ARG CA C 13 56.032 . . 1 . . . . . 285 R CA . 50101 1 296 . 1 . 1 64 64 ARG CB C 13 31.185 . . 1 . . . . . 285 R CB . 50101 1 297 . 1 . 1 64 64 ARG N N 15 120.609 . . 1 . . . . . 285 R N . 50101 1 298 . 1 . 1 65 65 THR H H 1 8.305 . . 1 . . . . . 286 T HN . 50101 1 299 . 1 . 1 65 65 THR C C 13 174.583 . . 1 . . . . . 286 T CO . 50101 1 300 . 1 . 1 65 65 THR CA C 13 61.986 . . 1 . . . . . 286 T CA . 50101 1 301 . 1 . 1 65 65 THR CB C 13 70.009 . . 1 . . . . . 286 T CB . 50101 1 302 . 1 . 1 65 65 THR N N 15 116.342 . . 1 . . . . . 286 T N . 50101 1 303 . 1 . 1 66 66 ILE H H 1 8.308 . . 1 . . . . . 287 I HN . 50101 1 304 . 1 . 1 66 66 ILE C C 13 176.334 . . 1 . . . . . 287 I CO . 50101 1 305 . 1 . 1 66 66 ILE CA C 13 61.286 . . 1 . . . . . 287 I CA . 50101 1 306 . 1 . 1 66 66 ILE CB C 13 38.755 . . 1 . . . . . 287 I CB . 50101 1 307 . 1 . 1 66 66 ILE N N 15 123.568 . . 1 . . . . . 287 I N . 50101 1 308 . 1 . 1 67 67 GLU H H 1 8.539 . . 1 . . . . . 288 E HN . 50101 1 309 . 1 . 1 67 67 GLU C C 13 177.107 . . 1 . . . . . 288 E CO . 50101 1 310 . 1 . 1 67 67 GLU CA C 13 57.079 . . 1 . . . . . 288 E CA . 50101 1 311 . 1 . 1 67 67 GLU CB C 13 30.099 . . 1 . . . . . 288 E CB . 50101 1 312 . 1 . 1 67 67 GLU N N 15 125.214 . . 1 . . . . . 288 E N . 50101 1 313 . 1 . 1 68 68 GLY H H 1 8.470 . . 1 . . . . . 289 G HN . 50101 1 314 . 1 . 1 68 68 GLY C C 13 174.331 . . 1 . . . . . 289 G CO . 50101 1 315 . 1 . 1 68 68 GLY CA C 13 45.526 . . 1 . . . . . 289 G CA . 50101 1 316 . 1 . 1 68 68 GLY N N 15 110.136 . . 1 . . . . . 289 G N . 50101 1 317 . 1 . 1 69 69 GLN H H 1 8.183 . . 1 . . . . . 290 Q HN . 50101 1 318 . 1 . 1 69 69 GLN C C 13 176.135 . . 1 . . . . . 290 Q CO . 50101 1 319 . 1 . 1 69 69 GLN CA C 13 55.987 . . 1 . . . . . 290 Q CA . 50101 1 320 . 1 . 1 69 69 GLN CB C 13 29.643 . . 1 . . . . . 290 Q CB . 50101 1 321 . 1 . 1 69 69 GLN N N 15 119.798 . . 1 . . . . . 290 Q N . 50101 1 322 . 1 . 1 70 70 SER H H 1 8.443 . . 1 . . . . . 291 S HN . 50101 1 323 . 1 . 1 70 70 SER C C 13 174.737 . . 1 . . . . . 291 S CO . 50101 1 324 . 1 . 1 70 70 SER CA C 13 58.590 . . 1 . . . . . 291 S CA . 50101 1 325 . 1 . 1 70 70 SER CB C 13 63.790 . . 1 . . . . . 291 S CB . 50101 1 326 . 1 . 1 70 70 SER N N 15 117.188 . . 1 . . . . . 291 S N . 50101 1 327 . 1 . 1 71 71 ILE H H 1 8.165 . . 1 . . . . . 292 I HN . 50101 1 328 . 1 . 1 71 71 ILE C C 13 176.493 . . 1 . . . . . 292 I CO . 50101 1 329 . 1 . 1 71 71 ILE CA C 13 61.679 . . 1 . . . . . 292 I CA . 50101 1 330 . 1 . 1 71 71 ILE CB C 13 38.572 . . 1 . . . . . 292 I CB . 50101 1 331 . 1 . 1 71 71 ILE N N 15 122.712 . . 1 . . . . . 292 I N . 50101 1 332 . 1 . 1 72 72 ARG H H 1 8.293 . . 1 . . . . . 293 R HN . 50101 1 333 . 1 . 1 72 72 ARG C C 13 176.208 . . 1 . . . . . 293 R CO . 50101 1 334 . 1 . 1 72 72 ARG CA C 13 56.448 . . 1 . . . . . 293 R CA . 50101 1 335 . 1 . 1 72 72 ARG CB C 13 30.848 . . 1 . . . . . 293 R CB . 50101 1 336 . 1 . 1 72 72 ARG N N 15 124.153 . . 1 . . . . . 293 R N . 50101 1 337 . 1 . 1 73 73 ASP H H 1 8.251 . . 1 . . . . . 294 D HN . 50101 1 338 . 1 . 1 73 73 ASP C C 13 176.148 . . 1 . . . . . 294 D CO . 50101 1 339 . 1 . 1 73 73 ASP CA C 13 54.664 . . 1 . . . . . 294 D CA . 50101 1 340 . 1 . 1 73 73 ASP CB C 13 41.202 . . 1 . . . . . 294 D CB . 50101 1 341 . 1 . 1 73 73 ASP N N 15 120.997 . . 1 . . . . . 294 D N . 50101 1 342 . 1 . 1 74 74 ASN H H 1 8.326 . . 1 . . . . . 295 N HN . 50101 1 343 . 1 . 1 74 74 ASN C C 13 175.569 . . 1 . . . . . 295 N CO . 50101 1 344 . 1 . 1 74 74 ASN CA C 13 53.569 . . 1 . . . . . 295 N CA . 50101 1 345 . 1 . 1 74 74 ASN CB C 13 38.700 . . 1 . . . . . 295 N CB . 50101 1 346 . 1 . 1 74 74 ASN N N 15 118.784 . . 1 . . . . . 295 N N . 50101 1 347 . 1 . 1 75 75 LEU H H 1 8.211 . . 1 . . . . . 296 L HN . 50101 1 348 . 1 . 1 75 75 LEU C C 13 177.660 . . 1 . . . . . 296 L CO . 50101 1 349 . 1 . 1 75 75 LEU CA C 13 55.815 . . 1 . . . . . 296 L CA . 50101 1 350 . 1 . 1 75 75 LEU CB C 13 42.021 . . 1 . . . . . 296 L CB . 50101 1 351 . 1 . 1 75 75 LEU N N 15 121.874 . . 1 . . . . . 296 L N . 50101 1 352 . 1 . 1 76 76 GLN H H 1 8.229 . . 1 . . . . . 297 Q HN . 50101 1 353 . 1 . 1 76 76 GLN C C 13 175.907 . . 1 . . . . . 297 Q CO . 50101 1 354 . 1 . 1 76 76 GLN CA C 13 55.946 . . 1 . . . . . 297 Q CA . 50101 1 355 . 1 . 1 76 76 GLN CB C 13 29.256 . . 1 . . . . . 297 Q CB . 50101 1 356 . 1 . 1 76 76 GLN N N 15 120.060 . . 1 . . . . . 297 Q N . 50101 1 357 . 1 . 1 77 77 ALA H H 1 8.187 . . 1 . . . . . 298 A HN . 50101 1 358 . 1 . 1 77 77 ALA C C 13 177.889 . . 1 . . . . . 298 A CO . 50101 1 359 . 1 . 1 77 77 ALA CA C 13 52.733 . . 1 . . . . . 298 A CA . 50101 1 360 . 1 . 1 77 77 ALA CB C 13 19.059 . . 1 . . . . . 298 A CB . 50101 1 361 . 1 . 1 77 77 ALA N N 15 124.993 . . 1 . . . . . 298 A N . 50101 1 362 . 1 . 1 78 78 LYS H H 1 8.244 . . 1 . . . . . 299 K HN . 50101 1 363 . 1 . 1 78 78 LYS C C 13 176.358 . . 1 . . . . . 299 K CO . 50101 1 364 . 1 . 1 78 78 LYS CA C 13 56.489 . . 1 . . . . . 299 K CA . 50101 1 365 . 1 . 1 78 78 LYS CB C 13 33.068 . . 1 . . . . . 299 K CB . 50101 1 366 . 1 . 1 78 78 LYS N N 15 120.295 . . 1 . . . . . 299 K N . 50101 1 367 . 1 . 1 79 79 ASP H H 1 8.272 . . 1 . . . . . 300 D HN . 50101 1 368 . 1 . 1 79 79 ASP C C 13 175.952 . . 1 . . . . . 300 D CO . 50101 1 369 . 1 . 1 79 79 ASP CA C 13 54.303 . . 1 . . . . . 300 D CA . 50101 1 370 . 1 . 1 79 79 ASP CB C 13 41.219 . . 1 . . . . . 300 D CB . 50101 1 371 . 1 . 1 79 79 ASP N N 15 120.823 . . 1 . . . . . 300 D N . 50101 1 372 . 1 . 1 80 80 ASN H H 1 8.326 . . 1 . . . . . 301 N HN . 50101 1 373 . 1 . 1 80 80 ASN C C 13 175.334 . . 1 . . . . . 301 N CO . 50101 1 374 . 1 . 1 80 80 ASN CA C 13 53.412 . . 1 . . . . . 301 N CA . 50101 1 375 . 1 . 1 80 80 ASN CB C 13 38.875 . . 1 . . . . . 301 N CB . 50101 1 376 . 1 . 1 80 80 ASN N N 15 119.511 . . 1 . . . . . 301 N N . 50101 1 377 . 1 . 1 81 81 LYS H H 1 8.329 . . 1 . . . . . 302 K HN . 50101 1 378 . 1 . 1 81 81 LYS C C 13 176.874 . . 1 . . . . . 302 K CO . 50101 1 379 . 1 . 1 81 81 LYS CA C 13 56.472 . . 1 . . . . . 302 K CA . 50101 1 380 . 1 . 1 81 81 LYS CB C 13 32.880 . . 1 . . . . . 302 K CB . 50101 1 381 . 1 . 1 81 81 LYS N N 15 121.396 . . 1 . . . . . 302 K N . 50101 1 382 . 1 . 1 82 82 SER H H 1 8.359 . . 1 . . . . . 303 S HN . 50101 1 383 . 1 . 1 82 82 SER C C 13 174.900 . . 1 . . . . . 303 S CO . 50101 1 384 . 1 . 1 82 82 SER CA C 13 58.595 . . 1 . . . . . 303 S CA . 50101 1 385 . 1 . 1 82 82 SER CB C 13 63.822 . . 1 . . . . . 303 S CB . 50101 1 386 . 1 . 1 82 82 SER N N 15 116.920 . . 1 . . . . . 303 S N . 50101 1 387 . 1 . 1 83 83 THR H H 1 8.162 . . 1 . . . . . 304 T HN . 50101 1 388 . 1 . 1 83 83 THR C C 13 174.221 . . 1 . . . . . 304 T CO . 50101 1 389 . 1 . 1 83 83 THR CA C 13 61.760 . . 1 . . . . . 304 T CA . 50101 1 390 . 1 . 1 83 83 THR CB C 13 69.627 . . 1 . . . . . 304 T CB . 50101 1 391 . 1 . 1 83 83 THR N N 15 115.112 . . 1 . . . . . 304 T N . 50101 1 392 . 1 . 1 84 84 ASP H H 1 8.292 . . 1 . . . . . 305 D HN . 50101 1 393 . 1 . 1 84 84 ASP C C 13 175.737 . . 1 . . . . . 305 D CO . 50101 1 394 . 1 . 1 84 84 ASP CA C 13 54.389 . . 1 . . . . . 305 D CA . 50101 1 395 . 1 . 1 84 84 ASP CB C 13 41.192 . . 1 . . . . . 305 D CB . 50101 1 396 . 1 . 1 84 84 ASP N N 15 123.133 . . 1 . . . . . 305 D N . 50101 1 397 . 1 . 1 85 85 VAL H H 1 8.094 . . 1 . . . . . 306 V HN . 50101 1 398 . 1 . 1 85 85 VAL C C 13 174.528 . . 1 . . . . . 306 V CO . 50101 1 399 . 1 . 1 85 85 VAL CA C 13 59.953 . . 1 . . . . . 306 V CA . 50101 1 400 . 1 . 1 85 85 VAL CB C 13 32.662 . . 1 . . . . . 306 V CB . 50101 1 401 . 1 . 1 85 85 VAL N N 15 121.703 . . 1 . . . . . 306 V N . 50101 1 402 . 1 . 1 86 86 PRO C C 13 177.681 . . 1 . . . . . 307 P CO . 50101 1 403 . 1 . 1 86 86 PRO CA C 13 63.628 . . 1 . . . . . 307 P CA . 50101 1 404 . 1 . 1 86 86 PRO CB C 13 32.086 . . 1 . . . . . 307 P CB . 50101 1 405 . 1 . 1 87 87 GLY H H 1 8.507 . . 1 . . . . . 308 G HN . 50101 1 406 . 1 . 1 87 87 GLY C C 13 173.913 . . 1 . . . . . 308 G CO . 50101 1 407 . 1 . 1 87 87 GLY CA C 13 45.303 . . 1 . . . . . 308 G CA . 50101 1 408 . 1 . 1 87 87 GLY N N 15 109.907 . . 1 . . . . . 308 G N . 50101 1 409 . 1 . 1 88 88 ALA H H 1 8.126 . . 1 . . . . . 309 A HN . 50101 1 410 . 1 . 1 88 88 ALA C C 13 177.940 . . 1 . . . . . 309 A CO . 50101 1 411 . 1 . 1 88 88 ALA CA C 13 52.402 . . 1 . . . . . 309 A CA . 50101 1 412 . 1 . 1 88 88 ALA CB C 13 19.634 . . 1 . . . . . 309 A CB . 50101 1 413 . 1 . 1 88 88 ALA N N 15 123.697 . . 1 . . . . . 309 A N . 50101 1 414 . 1 . 1 89 89 GLY H H 1 8.327 . . 1 . . . . . 310 G HN . 50101 1 415 . 1 . 1 89 89 GLY CA C 13 44.579 . . 1 . . . . . 310 G CA . 50101 1 416 . 1 . 1 89 89 GLY N N 15 108.630 . . 1 . . . . . 310 G N . 50101 1 417 . 1 . 1 90 90 PRO C C 13 177.481 . . 1 . . . . . 311 P CO . 50101 1 418 . 1 . 1 90 90 PRO CA C 13 63.296 . . 1 . . . . . 311 P CA . 50101 1 419 . 1 . 1 90 90 PRO CB C 13 32.235 . . 1 . . . . . 311 P CB . 50101 1 420 . 1 . 1 91 91 LYS H H 1 8.505 . . 1 . . . . . 312 K HN . 50101 1 421 . 1 . 1 91 91 LYS C C 13 176.653 . . 1 . . . . . 312 K CO . 50101 1 422 . 1 . 1 91 91 LYS CA C 13 56.459 . . 1 . . . . . 312 K CA . 50101 1 423 . 1 . 1 91 91 LYS CB C 13 32.979 . . 1 . . . . . 312 K CB . 50101 1 424 . 1 . 1 91 91 LYS N N 15 121.408 . . 1 . . . . . 312 K N . 50101 1 425 . 1 . 1 92 92 ASP H H 1 8.301 . . 1 . . . . . 313 D HN . 50101 1 426 . 1 . 1 92 92 ASP C C 13 176.477 . . 1 . . . . . 313 D CO . 50101 1 427 . 1 . 1 92 92 ASP CA C 13 54.641 . . 1 . . . . . 313 D CA . 50101 1 428 . 1 . 1 92 92 ASP CB C 13 41.210 . . 1 . . . . . 313 D CB . 50101 1 429 . 1 . 1 92 92 ASP N N 15 121.252 . . 1 . . . . . 313 D N . 50101 1 430 . 1 . 1 93 93 SER H H 1 8.247 . . 1 . . . . . 314 S HN . 50101 1 431 . 1 . 1 93 93 SER C C 13 174.524 . . 1 . . . . . 314 S CO . 50101 1 432 . 1 . 1 93 93 SER CA C 13 58.815 . . 1 . . . . . 314 S CA . 50101 1 433 . 1 . 1 93 93 SER CB C 13 63.776 . . 1 . . . . . 314 S CB . 50101 1 434 . 1 . 1 93 93 SER N N 15 116.248 . . 1 . . . . . 314 S N . 50101 1 435 . 1 . 1 94 94 ALA H H 1 8.293 . . 1 . . . . . 315 A HN . 50101 1 436 . 1 . 1 94 94 ALA C C 13 178.096 . . 1 . . . . . 315 A CO . 50101 1 437 . 1 . 1 94 94 ALA CA C 13 52.975 . . 1 . . . . . 315 A CA . 50101 1 438 . 1 . 1 94 94 ALA CB C 13 19.068 . . 1 . . . . . 315 A CB . 50101 1 439 . 1 . 1 94 94 ALA N N 15 125.840 . . 1 . . . . . 315 A N . 50101 1 440 . 1 . 1 95 95 VAL H H 1 7.981 . . 1 . . . . . 316 V HN . 50101 1 441 . 1 . 1 95 95 VAL C C 13 176.507 . . 1 . . . . . 316 V CO . 50101 1 442 . 1 . 1 95 95 VAL CA C 13 62.910 . . 1 . . . . . 316 V CA . 50101 1 443 . 1 . 1 95 95 VAL CB C 13 32.578 . . 1 . . . . . 316 V CB . 50101 1 444 . 1 . 1 95 95 VAL N N 15 119.378 . . 1 . . . . . 316 V N . 50101 1 445 . 1 . 1 96 96 LYS H H 1 8.288 . . 1 . . . . . 317 K HN . 50101 1 446 . 1 . 1 96 96 LYS C C 13 176.887 . . 1 . . . . . 317 K CO . 50101 1 447 . 1 . 1 96 96 LYS CA C 13 56.911 . . 1 . . . . . 317 K CA . 50101 1 448 . 1 . 1 96 96 LYS CB C 13 32.957 . . 1 . . . . . 317 K CB . 50101 1 449 . 1 . 1 96 96 LYS N N 15 124.880 . . 1 . . . . . 317 K N . 50101 1 450 . 1 . 1 97 97 GLU H H 1 8.388 . . 1 . . . . . 318 E HN . 50101 1 451 . 1 . 1 97 97 GLU C C 13 176.809 . . 1 . . . . . 318 E CO . 50101 1 452 . 1 . 1 97 97 GLU CA C 13 57.206 . . 1 . . . . . 318 E CA . 50101 1 453 . 1 . 1 97 97 GLU CB C 13 30.140 . . 1 . . . . . 318 E CB . 50101 1 454 . 1 . 1 97 97 GLU N N 15 122.019 . . 1 . . . . . 318 E N . 50101 1 455 . 1 . 1 98 98 GLU H H 1 8.376 . . 1 . . . . . 319 E HN . 50101 1 456 . 1 . 1 98 98 GLU C C 13 176.904 . . 1 . . . . . 319 E CO . 50101 1 457 . 1 . 1 98 98 GLU CA C 13 56.977 . . 1 . . . . . 319 E CA . 50101 1 458 . 1 . 1 98 98 GLU CB C 13 30.155 . . 1 . . . . . 319 E CB . 50101 1 459 . 1 . 1 98 98 GLU N N 15 121.736 . . 1 . . . . . 319 E N . 50101 1 stop_ save_