data_52392 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52392 _Entry.Title ; NFkappaB p52 DD (225-328) Homodimer ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-04-09 _Entry.Accession_date 2024-04-09 _Entry.Last_release_date 2024-04-17 _Entry.Original_release_date 2024-04-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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 Sunirmala Sahoo . . . 0009-0007-5685-1022 52392 2 Nitin Dhaka . . . . 52392 3 Sulakshana Mukherjee . P. . 0000-0002-9420-6215 52392 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52392 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 292 52392 '15N chemical shifts' 97 52392 '1H chemical shifts' 202 52392 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2024-07-22 . original BMRB . 52392 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52392 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38856960 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Backbone triple resonance assignments of the dimerization domain of NF-kappaB p52 subunit ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 . _Citation.Page_last . _Citation.Year 2024 _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 Sunirmala Sahoo . . . . 52392 1 2 Nitin Dhaka . . . . 52392 1 3 Sulakshana Mukherjee . P. . . 52392 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52392 _Assembly.ID 1 _Assembly.Name 'NFkappaB p52 DD (225-328) Homodimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 'p52, chain 1' 1 $entity_1 . . yes native no no . . . 52392 1 2 'p52, chain 2' 1 $entity_1 . . yes native no no . . . 52392 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52392 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ASNLKISRMDKTAGSVRGGD EVYLLCDKVQKDDIEVRFYE DDENGWQAFGDFSPTDVHKQ YAIVFRTPPYHKMKIERPVT VFLQLKRKRGGDVSDSKQFT YYPL ; _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 104 _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 1 225 ALA . 52392 1 2 226 SER . 52392 1 3 227 ASN . 52392 1 4 228 LEU . 52392 1 5 229 LYS . 52392 1 6 230 ILE . 52392 1 7 231 SER . 52392 1 8 232 ARG . 52392 1 9 233 MET . 52392 1 10 234 ASP . 52392 1 11 235 LYS . 52392 1 12 236 THR . 52392 1 13 237 ALA . 52392 1 14 238 GLY . 52392 1 15 239 SER . 52392 1 16 240 VAL . 52392 1 17 241 ARG . 52392 1 18 242 GLY . 52392 1 19 243 GLY . 52392 1 20 244 ASP . 52392 1 21 245 GLU . 52392 1 22 246 VAL . 52392 1 23 247 TYR . 52392 1 24 248 LEU . 52392 1 25 249 LEU . 52392 1 26 250 CYS . 52392 1 27 251 ASP . 52392 1 28 252 LYS . 52392 1 29 253 VAL . 52392 1 30 254 GLN . 52392 1 31 255 LYS . 52392 1 32 256 ASP . 52392 1 33 257 ASP . 52392 1 34 258 ILE . 52392 1 35 259 GLU . 52392 1 36 260 VAL . 52392 1 37 261 ARG . 52392 1 38 262 PHE . 52392 1 39 263 TYR . 52392 1 40 264 GLU . 52392 1 41 265 ASP . 52392 1 42 266 ASP . 52392 1 43 267 GLU . 52392 1 44 268 ASN . 52392 1 45 269 GLY . 52392 1 46 270 TRP . 52392 1 47 271 GLN . 52392 1 48 272 ALA . 52392 1 49 273 PHE . 52392 1 50 274 GLY . 52392 1 51 275 ASP . 52392 1 52 276 PHE . 52392 1 53 277 SER . 52392 1 54 278 PRO . 52392 1 55 279 THR . 52392 1 56 280 ASP . 52392 1 57 281 VAL . 52392 1 58 282 HIS . 52392 1 59 283 LYS . 52392 1 60 284 GLN . 52392 1 61 285 TYR . 52392 1 62 286 ALA . 52392 1 63 287 ILE . 52392 1 64 288 VAL . 52392 1 65 289 PHE . 52392 1 66 290 ARG . 52392 1 67 291 THR . 52392 1 68 292 PRO . 52392 1 69 293 PRO . 52392 1 70 294 TYR . 52392 1 71 295 HIS . 52392 1 72 296 LYS . 52392 1 73 297 MET . 52392 1 74 298 LYS . 52392 1 75 299 ILE . 52392 1 76 300 GLU . 52392 1 77 301 ARG . 52392 1 78 302 PRO . 52392 1 79 303 VAL . 52392 1 80 304 THR . 52392 1 81 305 VAL . 52392 1 82 306 PHE . 52392 1 83 307 LEU . 52392 1 84 308 GLN . 52392 1 85 309 LEU . 52392 1 86 310 LYS . 52392 1 87 311 ARG . 52392 1 88 312 LYS . 52392 1 89 313 ARG . 52392 1 90 314 GLY . 52392 1 91 315 GLY . 52392 1 92 316 ASP . 52392 1 93 317 VAL . 52392 1 94 318 SER . 52392 1 95 319 ASP . 52392 1 96 320 SER . 52392 1 97 321 LYS . 52392 1 98 322 GLN . 52392 1 99 323 PHE . 52392 1 100 324 THR . 52392 1 101 325 TYR . 52392 1 102 326 TYR . 52392 1 103 327 PRO . 52392 1 104 328 LEU . 52392 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 . ALA 1 1 52392 1 . SER 2 2 52392 1 . ASN 3 3 52392 1 . LEU 4 4 52392 1 . LYS 5 5 52392 1 . ILE 6 6 52392 1 . SER 7 7 52392 1 . ARG 8 8 52392 1 . MET 9 9 52392 1 . ASP 10 10 52392 1 . LYS 11 11 52392 1 . THR 12 12 52392 1 . ALA 13 13 52392 1 . GLY 14 14 52392 1 . SER 15 15 52392 1 . VAL 16 16 52392 1 . ARG 17 17 52392 1 . GLY 18 18 52392 1 . GLY 19 19 52392 1 . ASP 20 20 52392 1 . GLU 21 21 52392 1 . VAL 22 22 52392 1 . TYR 23 23 52392 1 . LEU 24 24 52392 1 . LEU 25 25 52392 1 . CYS 26 26 52392 1 . ASP 27 27 52392 1 . LYS 28 28 52392 1 . VAL 29 29 52392 1 . GLN 30 30 52392 1 . LYS 31 31 52392 1 . ASP 32 32 52392 1 . ASP 33 33 52392 1 . ILE 34 34 52392 1 . GLU 35 35 52392 1 . VAL 36 36 52392 1 . ARG 37 37 52392 1 . PHE 38 38 52392 1 . TYR 39 39 52392 1 . GLU 40 40 52392 1 . ASP 41 41 52392 1 . ASP 42 42 52392 1 . GLU 43 43 52392 1 . ASN 44 44 52392 1 . GLY 45 45 52392 1 . TRP 46 46 52392 1 . GLN 47 47 52392 1 . ALA 48 48 52392 1 . PHE 49 49 52392 1 . GLY 50 50 52392 1 . ASP 51 51 52392 1 . PHE 52 52 52392 1 . SER 53 53 52392 1 . PRO 54 54 52392 1 . THR 55 55 52392 1 . ASP 56 56 52392 1 . VAL 57 57 52392 1 . HIS 58 58 52392 1 . LYS 59 59 52392 1 . GLN 60 60 52392 1 . TYR 61 61 52392 1 . ALA 62 62 52392 1 . ILE 63 63 52392 1 . VAL 64 64 52392 1 . PHE 65 65 52392 1 . ARG 66 66 52392 1 . THR 67 67 52392 1 . PRO 68 68 52392 1 . PRO 69 69 52392 1 . TYR 70 70 52392 1 . HIS 71 71 52392 1 . LYS 72 72 52392 1 . MET 73 73 52392 1 . LYS 74 74 52392 1 . ILE 75 75 52392 1 . GLU 76 76 52392 1 . ARG 77 77 52392 1 . PRO 78 78 52392 1 . VAL 79 79 52392 1 . THR 80 80 52392 1 . VAL 81 81 52392 1 . PHE 82 82 52392 1 . LEU 83 83 52392 1 . GLN 84 84 52392 1 . LEU 85 85 52392 1 . LYS 86 86 52392 1 . ARG 87 87 52392 1 . LYS 88 88 52392 1 . ARG 89 89 52392 1 . GLY 90 90 52392 1 . GLY 91 91 52392 1 . ASP 92 92 52392 1 . VAL 93 93 52392 1 . SER 94 94 52392 1 . ASP 95 95 52392 1 . SER 96 96 52392 1 . LYS 97 97 52392 1 . GLN 98 98 52392 1 . PHE 99 99 52392 1 . THR 100 100 52392 1 . TYR 101 101 52392 1 . TYR 102 102 52392 1 . PRO 103 103 52392 1 . LEU 104 104 52392 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 52392 _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 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 52392 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 52392 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET11a . . . 52392 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52392 _Sample.ID 1 _Sample.Name 'p52 DD Homodimer' _Sample.Type solution _Sample.Sub_type . _Sample.Details 'p52DDSS protein sample in NMR buffer (20mM Bis-Tris(pH-6.8), 50mM NaCl, 20mM beta-Me, 2mM EDTA, 5% D2O)' _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 'p52 Dimerization Domain' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.700 . . mM . . . . 52392 1 2 'p52 Dimerization Domain' '[U-100% 15N]' . . 1 $entity_1 . . 0.400 . . mM . . . . 52392 1 3 Bis-Tris 'natural abundance' . . . . . . 20 . . mM . . . . 52392 1 4 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 52392 1 5 beta-Me 'natural abundance' . . . . . . 20 . . mM . . . . 52392 1 6 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 52392 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 52392 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'p52 NMR Sample' _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' 50 . mM 52392 1 pH 6.8 . pH 52392 1 pressure 1 . atm 52392 1 temperature 303 . K 52392 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52392 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52392 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52392 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52392 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52392 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52392 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 52392 _Software.ID 4 _Software.Type . _Software.Name TALOS-N _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure solution' . 52392 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52392 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Ascend 700 MHz AVANCE NEO with Cryo probe' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 52392 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52392 1 2 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52392 1 3 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52392 1 4 '3D CBCACONH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52392 1 5 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52392 1 6 '3D HN(CO)CA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52392 1 7 '3D 1H-15N NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52392 1 8 '3D HANH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52392 1 9 '3D H(CCO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52392 1 10 '2D 1H-13C HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52392 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 52392 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name p52_DD_SS _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 52392 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52392 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52392 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 52392 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name p52_DD_SS_Assigned _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' . . . 52392 1 2 '3D HNCA' . . . 52392 1 3 '3D HNCACB' . . . 52392 1 4 '3D CBCACONH' . . . 52392 1 5 '3D HNCO' . . . 52392 1 6 '3D HN(CO)CA' . . . 52392 1 7 '3D 1H-15N NOESY' . . . 52392 1 8 '3D HANH' . . . 52392 1 9 '3D H(CCO)NH' . . . 52392 1 10 '2D 1H-13C HSQC' . . . 52392 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52392 1 2 $software_2 . . 52392 1 3 $software_3 . . 52392 1 4 $software_4 . . 52392 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 SER C C 13 173.927 0.3 . 1 . . . . . 226 SER C . 52392 1 2 . 1 . 1 3 3 ASN H H 1 8.439 0.02 . 1 . . . . . 227 ASN H . 52392 1 3 . 1 . 1 3 3 ASN C C 13 175.068 0.3 . 1 . . . . . 227 ASN C . 52392 1 4 . 1 . 1 3 3 ASN CA C 13 53.128 0.3 . 1 . . . . . 227 ASN CA . 52392 1 5 . 1 . 1 3 3 ASN CB C 13 38.489 0.3 . 1 . . . . . 227 ASN CB . 52392 1 6 . 1 . 1 3 3 ASN N N 15 120.561 0.3 . 1 . . . . . 227 ASN N . 52392 1 7 . 1 . 1 4 4 LEU H H 1 8.099 0.02 . 1 . . . . . 228 LEU H . 52392 1 8 . 1 . 1 4 4 LEU HA H 1 4.689 0.02 . 1 . . . . . 228 LEU HA . 52392 1 9 . 1 . 1 4 4 LEU C C 13 175.77 0.3 . 1 . . . . . 228 LEU C . 52392 1 10 . 1 . 1 4 4 LEU CA C 13 54.029 0.3 . 1 . . . . . 228 LEU CA . 52392 1 11 . 1 . 1 4 4 LEU CB C 13 43.613 0.3 . 1 . . . . . 228 LEU CB . 52392 1 12 . 1 . 1 4 4 LEU N N 15 121.7 0.3 . 1 . . . . . 228 LEU N . 52392 1 13 . 1 . 1 5 5 LYS H H 1 8.441 0.02 . 1 . . . . . 229 LYS H . 52392 1 14 . 1 . 1 5 5 LYS HA H 1 4.667 0.02 . 1 . . . . . 229 LYS HA . 52392 1 15 . 1 . 1 5 5 LYS C C 13 174.717 0.3 . 1 . . . . . 229 LYS C . 52392 1 16 . 1 . 1 5 5 LYS CA C 13 56.136 0.3 . 1 . . . . . 229 LYS CA . 52392 1 17 . 1 . 1 5 5 LYS CB C 13 36.786 0.3 . 1 . . . . . 229 LYS CB . 52392 1 18 . 1 . 1 5 5 LYS N N 15 121.683 0.3 . 1 . . . . . 229 LYS N . 52392 1 19 . 1 . 1 6 6 ILE H H 1 9.086 0.02 . 1 . . . . . 230 ILE H . 52392 1 20 . 1 . 1 6 6 ILE HA H 1 3.862 0.02 . 1 . . . . . 230 ILE HA . 52392 1 21 . 1 . 1 6 6 ILE C C 13 174.892 0.3 . 1 . . . . . 230 ILE C . 52392 1 22 . 1 . 1 6 6 ILE CA C 13 61.629 0.3 . 1 . . . . . 230 ILE CA . 52392 1 23 . 1 . 1 6 6 ILE CB C 13 38.544 0.3 . 1 . . . . . 230 ILE CB . 52392 1 24 . 1 . 1 6 6 ILE N N 15 125.283 0.3 . 1 . . . . . 230 ILE N . 52392 1 25 . 1 . 1 7 7 SER H H 1 9.115 0.02 . 1 . . . . . 231 SER H . 52392 1 26 . 1 . 1 7 7 SER HA H 1 3.779 0.02 . 1 . . . . . 231 SER HA . 52392 1 27 . 1 . 1 7 7 SER C C 13 174.717 0.3 . 1 . . . . . 231 SER C . 52392 1 28 . 1 . 1 7 7 SER CA C 13 60.305 0.3 . 1 . . . . . 231 SER CA . 52392 1 29 . 1 . 1 7 7 SER CB C 13 63.009 0.3 . 1 . . . . . 231 SER CB . 52392 1 30 . 1 . 1 7 7 SER N N 15 123.584 0.3 . 1 . . . . . 231 SER N . 52392 1 31 . 1 . 1 8 8 ARG H H 1 7.581 0.02 . 1 . . . . . 232 ARG H . 52392 1 32 . 1 . 1 8 8 ARG HA H 1 4.74 0.02 . 1 . . . . . 232 ARG HA . 52392 1 33 . 1 . 1 8 8 ARG C C 13 173.138 0.3 . 1 . . . . . 232 ARG C . 52392 1 34 . 1 . 1 8 8 ARG CA C 13 55.384 0.3 . 1 . . . . . 232 ARG CA . 52392 1 35 . 1 . 1 8 8 ARG CB C 13 34.243 0.3 . 1 . . . . . 232 ARG CB . 52392 1 36 . 1 . 1 8 8 ARG N N 15 115.276 0.3 . 1 . . . . . 232 ARG N . 52392 1 37 . 1 . 1 9 9 MET H H 1 8.388 0.02 . 1 . . . . . 233 MET H . 52392 1 38 . 1 . 1 9 9 MET HA H 1 5.467 0.02 . 1 . . . . . 233 MET HA . 52392 1 39 . 1 . 1 9 9 MET C C 13 174.459 0.3 . 1 . . . . . 233 MET C . 52392 1 40 . 1 . 1 9 9 MET CA C 13 54.632 0.3 . 1 . . . . . 233 MET CA . 52392 1 41 . 1 . 1 9 9 MET CB C 13 37.549 0.3 . 1 . . . . . 233 MET CB . 52392 1 42 . 1 . 1 9 9 MET N N 15 119.176 0.3 . 1 . . . . . 233 MET N . 52392 1 43 . 1 . 1 10 10 ASP H H 1 8.112 0.02 . 1 . . . . . 234 ASP H . 52392 1 44 . 1 . 1 10 10 ASP HA H 1 3.862 0.02 . 1 . . . . . 234 ASP HA . 52392 1 45 . 1 . 1 10 10 ASP C C 13 174.541 0.3 . 1 . . . . . 234 ASP C . 52392 1 46 . 1 . 1 10 10 ASP CA C 13 54.651 0.3 . 1 . . . . . 234 ASP CA . 52392 1 47 . 1 . 1 10 10 ASP CB C 13 37.528 0.3 . 1 . . . . . 234 ASP CB . 52392 1 48 . 1 . 1 10 10 ASP N N 15 119.087 0.3 . 1 . . . . . 234 ASP N . 52392 1 49 . 1 . 1 11 11 LYS H H 1 7.035 0.02 . 1 . . . . . 235 LYS H . 52392 1 50 . 1 . 1 11 11 LYS HA H 1 4.645 0.02 . 1 . . . . . 235 LYS HA . 52392 1 51 . 1 . 1 11 11 LYS C C 13 174.12 0.3 . 1 . . . . . 235 LYS C . 52392 1 52 . 1 . 1 11 11 LYS CA C 13 55.509 0.3 . 1 . . . . . 235 LYS CA . 52392 1 53 . 1 . 1 11 11 LYS CB C 13 35.782 0.3 . 1 . . . . . 235 LYS CB . 52392 1 54 . 1 . 1 11 11 LYS N N 15 120.234 0.3 . 1 . . . . . 235 LYS N . 52392 1 55 . 1 . 1 12 12 THR H H 1 8.273 0.02 . 1 . . . . . 236 THR H . 52392 1 56 . 1 . 1 12 12 THR HA H 1 4.53 0.02 . 1 . . . . . 236 THR HA . 52392 1 57 . 1 . 1 12 12 THR C C 13 171.927 0.3 . 1 . . . . . 236 THR C . 52392 1 58 . 1 . 1 12 12 THR CA C 13 59.896 0.3 . 1 . . . . . 236 THR CA . 52392 1 59 . 1 . 1 12 12 THR CB C 13 68.49 0.3 . 1 . . . . . 236 THR CB . 52392 1 60 . 1 . 1 12 12 THR N N 15 108.253 0.3 . 1 . . . . . 236 THR N . 52392 1 61 . 1 . 1 13 13 ALA H H 1 7.007 0.02 . 1 . . . . . 237 ALA H . 52392 1 62 . 1 . 1 13 13 ALA HA H 1 4.381 0.02 . 1 . . . . . 237 ALA HA . 52392 1 63 . 1 . 1 13 13 ALA C C 13 175.699 0.3 . 1 . . . . . 237 ALA C . 52392 1 64 . 1 . 1 13 13 ALA CA C 13 49.764 0.3 . 1 . . . . . 237 ALA CA . 52392 1 65 . 1 . 1 13 13 ALA CB C 13 22.755 0.3 . 1 . . . . . 237 ALA CB . 52392 1 66 . 1 . 1 13 13 ALA N N 15 124.221 0.3 . 1 . . . . . 237 ALA N . 52392 1 67 . 1 . 1 14 14 GLY H H 1 8.022 0.02 . 1 . . . . . 238 GLY H . 52392 1 68 . 1 . 1 14 14 GLY HA3 H 1 4.11 0.02 . 1 . . . . . 238 GLY HA3 . 52392 1 69 . 1 . 1 14 14 GLY C C 13 171.401 0.3 . 1 . . . . . 238 GLY C . 52392 1 70 . 1 . 1 14 14 GLY CA C 13 44.441 0.3 . 1 . . . . . 238 GLY CA . 52392 1 71 . 1 . 1 14 14 GLY N N 15 106.307 0.3 . 1 . . . . . 238 GLY N . 52392 1 72 . 1 . 1 15 15 SER H H 1 8.182 0.02 . 1 . . . . . 239 SER H . 52392 1 73 . 1 . 1 15 15 SER HA H 1 3.931 0.02 . 1 . . . . . 239 SER HA . 52392 1 74 . 1 . 1 15 15 SER C C 13 178.928 0.3 . 1 . . . . . 239 SER C . 52392 1 75 . 1 . 1 15 15 SER CA C 13 58.768 0.3 . 1 . . . . . 239 SER CA . 52392 1 76 . 1 . 1 15 15 SER CB C 13 63.868 0.3 . 1 . . . . . 239 SER CB . 52392 1 77 . 1 . 1 15 15 SER N N 15 113.058 0.3 . 1 . . . . . 239 SER N . 52392 1 78 . 1 . 1 16 16 VAL H H 1 8.343 0.02 . 1 . . . . . 240 VAL H . 52392 1 79 . 1 . 1 16 16 VAL HA H 1 4.001 0.02 . 1 . . . . . 240 VAL HA . 52392 1 80 . 1 . 1 16 16 VAL C C 13 174.015 0.3 . 1 . . . . . 240 VAL C . 52392 1 81 . 1 . 1 16 16 VAL CA C 13 64.8 0.3 . 1 . . . . . 240 VAL CA . 52392 1 82 . 1 . 1 16 16 VAL CB C 13 31.907 0.3 . 1 . . . . . 240 VAL CB . 52392 1 83 . 1 . 1 16 16 VAL N N 15 124.54 0.3 . 1 . . . . . 240 VAL N . 52392 1 84 . 1 . 1 17 17 ARG H H 1 7.668 0.02 . 1 . . . . . 241 ARG H . 52392 1 85 . 1 . 1 17 17 ARG HA H 1 4.126 0.02 . 1 . . . . . 241 ARG HA . 52392 1 86 . 1 . 1 17 17 ARG C C 13 177.349 0.3 . 1 . . . . . 241 ARG C . 52392 1 87 . 1 . 1 17 17 ARG CA C 13 57.402 0.3 . 1 . . . . . 241 ARG CA . 52392 1 88 . 1 . 1 17 17 ARG CB C 13 30.538 0.3 . 1 . . . . . 241 ARG CB . 52392 1 89 . 1 . 1 17 17 ARG N N 15 116.567 0.3 . 1 . . . . . 241 ARG N . 52392 1 90 . 1 . 1 18 18 GLY H H 1 7.786 0.02 . 1 . . . . . 242 GLY H . 52392 1 91 . 1 . 1 18 18 GLY HA2 H 1 3.872 0.02 . 2 . . . . . 242 GLY HA2 . 52392 1 92 . 1 . 1 18 18 GLY HA3 H 1 3.84 0.02 . 2 . . . . . 242 GLY HA3 . 52392 1 93 . 1 . 1 18 18 GLY C C 13 172.805 0.3 . 1 . . . . . 242 GLY C . 52392 1 94 . 1 . 1 18 18 GLY CA C 13 43.292 0.3 . 1 . . . . . 242 GLY CA . 52392 1 95 . 1 . 1 18 18 GLY N N 15 104.537 0.3 . 1 . . . . . 242 GLY N . 52392 1 96 . 1 . 1 19 19 GLY H H 1 8.917 0.02 . 1 . . . . . 243 GLY H . 52392 1 97 . 1 . 1 19 19 GLY HA2 H 1 4.279 0.02 . 1 . . . . . 243 GLY HA2 . 52392 1 98 . 1 . 1 19 19 GLY HA3 H 1 4.279 0.02 . 1 . . . . . 243 GLY HA3 . 52392 1 99 . 1 . 1 19 19 GLY C C 13 174.699 0.3 . 1 . . . . . 243 GLY C . 52392 1 100 . 1 . 1 19 19 GLY CA C 13 45.378 0.3 . 1 . . . . . 243 GLY CA . 52392 1 101 . 1 . 1 19 19 GLY N N 15 106.586 0.3 . 1 . . . . . 243 GLY N . 52392 1 102 . 1 . 1 20 20 ASP H H 1 7.633 0.02 . 1 . . . . . 244 ASP H . 52392 1 103 . 1 . 1 20 20 ASP HA H 1 4.645 0.02 . 1 . . . . . 244 ASP HA . 52392 1 104 . 1 . 1 20 20 ASP C C 13 174.612 0.3 . 1 . . . . . 244 ASP C . 52392 1 105 . 1 . 1 20 20 ASP CA C 13 54.687 0.3 . 1 . . . . . 244 ASP CA . 52392 1 106 . 1 . 1 20 20 ASP CB C 13 41.952 0.3 . 1 . . . . . 244 ASP CB . 52392 1 107 . 1 . 1 20 20 ASP N N 15 120.062 0.3 . 1 . . . . . 244 ASP N . 52392 1 108 . 1 . 1 21 21 GLU H H 1 8.977 0.02 . 1 . . . . . 245 GLU H . 52392 1 109 . 1 . 1 21 21 GLU HA H 1 4.785 0.02 . 1 . . . . . 245 GLU HA . 52392 1 110 . 1 . 1 21 21 GLU C C 13 174.892 0.3 . 1 . . . . . 245 GLU C . 52392 1 111 . 1 . 1 21 21 GLU CA C 13 56.365 0.3 . 1 . . . . . 245 GLU CA . 52392 1 112 . 1 . 1 21 21 GLU CB C 13 31.165 0.3 . 1 . . . . . 245 GLU CB . 52392 1 113 . 1 . 1 21 21 GLU N N 15 124.174 0.3 . 1 . . . . . 245 GLU N . 52392 1 114 . 1 . 1 22 22 VAL H H 1 9.069 0.02 . 1 . . . . . 246 VAL H . 52392 1 115 . 1 . 1 22 22 VAL HA H 1 4.207 0.02 . 1 . . . . . 246 VAL HA . 52392 1 116 . 1 . 1 22 22 VAL C C 13 173.138 0.3 . 1 . . . . . 246 VAL C . 52392 1 117 . 1 . 1 22 22 VAL CA C 13 60.784 0.3 . 1 . . . . . 246 VAL CA . 52392 1 118 . 1 . 1 22 22 VAL CB C 13 34.072 0.3 . 1 . . . . . 246 VAL CB . 52392 1 119 . 1 . 1 22 22 VAL N N 15 129.719 0.3 . 1 . . . . . 246 VAL N . 52392 1 120 . 1 . 1 23 23 TYR H H 1 8.726 0.02 . 1 . . . . . 247 TYR H . 52392 1 121 . 1 . 1 23 23 TYR HA H 1 4.773 0.02 . 1 . . . . . 247 TYR HA . 52392 1 122 . 1 . 1 23 23 TYR C C 13 172.785 0.3 . 1 . . . . . 247 TYR C . 52392 1 123 . 1 . 1 23 23 TYR CA C 13 56.136 0.3 . 1 . . . . . 247 TYR CA . 52392 1 124 . 1 . 1 23 23 TYR CB C 13 38.591 0.3 . 1 . . . . . 247 TYR CB . 52392 1 125 . 1 . 1 23 23 TYR N N 15 125.567 0.3 . 1 . . . . . 247 TYR N . 52392 1 126 . 1 . 1 24 24 LEU H H 1 8.779 0.02 . 1 . . . . . 248 LEU H . 52392 1 127 . 1 . 1 24 24 LEU HA H 1 5.143 0.02 . 1 . . . . . 248 LEU HA . 52392 1 128 . 1 . 1 24 24 LEU C C 13 174.366 0.3 . 1 . . . . . 248 LEU C . 52392 1 129 . 1 . 1 24 24 LEU CA C 13 53.956 0.3 . 1 . . . . . 248 LEU CA . 52392 1 130 . 1 . 1 24 24 LEU CB C 13 45.551 0.3 . 1 . . . . . 248 LEU CB . 52392 1 131 . 1 . 1 24 24 LEU N N 15 125.086 0.3 . 1 . . . . . 248 LEU N . 52392 1 132 . 1 . 1 25 25 LEU H H 1 9.066 0.02 . 1 . . . . . 249 LEU H . 52392 1 133 . 1 . 1 25 25 LEU HA H 1 4.969 0.02 . 1 . . . . . 249 LEU HA . 52392 1 134 . 1 . 1 25 25 LEU C C 13 175.419 0.3 . 1 . . . . . 249 LEU C . 52392 1 135 . 1 . 1 25 25 LEU CA C 13 53.768 0.3 . 1 . . . . . 249 LEU CA . 52392 1 136 . 1 . 1 25 25 LEU CB C 13 46.64 0.3 . 1 . . . . . 249 LEU CB . 52392 1 137 . 1 . 1 25 25 LEU N N 15 124.939 0.3 . 1 . . . . . 249 LEU N . 52392 1 138 . 1 . 1 26 26 CYS H H 1 8.697 0.02 . 1 . . . . . 250 CYS H . 52392 1 139 . 1 . 1 26 26 CYS HA H 1 5.546 0.02 . 1 . . . . . 250 CYS HA . 52392 1 140 . 1 . 1 26 26 CYS C C 13 173.857 0.3 . 1 . . . . . 250 CYS C . 52392 1 141 . 1 . 1 26 26 CYS CA C 13 54.891 0.3 . 1 . . . . . 250 CYS CA . 52392 1 142 . 1 . 1 26 26 CYS CB C 13 34.121 0.3 . 1 . . . . . 250 CYS CB . 52392 1 143 . 1 . 1 26 26 CYS N N 15 122.683 0.3 . 1 . . . . . 250 CYS N . 52392 1 144 . 1 . 1 27 27 ASP H H 1 7.319 0.02 . 1 . . . . . 251 ASP H . 52392 1 145 . 1 . 1 27 27 ASP HA H 1 5.141 0.02 . 1 . . . . . 251 ASP HA . 52392 1 146 . 1 . 1 27 27 ASP C C 13 174.429 0.3 . 1 . . . . . 251 ASP C . 52392 1 147 . 1 . 1 27 27 ASP CA C 13 54.256 0.3 . 1 . . . . . 251 ASP CA . 52392 1 148 . 1 . 1 27 27 ASP CB C 13 41.971 0.3 . 1 . . . . . 251 ASP CB . 52392 1 149 . 1 . 1 27 27 ASP N N 15 116.994 0.3 . 1 . . . . . 251 ASP N . 52392 1 150 . 1 . 1 28 28 LYS H H 1 8.237 0.02 . 1 . . . . . 252 LYS H . 52392 1 151 . 1 . 1 28 28 LYS HA H 1 3.854 0.02 . 1 . . . . . 252 LYS HA . 52392 1 152 . 1 . 1 28 28 LYS C C 13 177.366 0.3 . 1 . . . . . 252 LYS C . 52392 1 153 . 1 . 1 28 28 LYS CA C 13 58.381 0.3 . 1 . . . . . 252 LYS CA . 52392 1 154 . 1 . 1 28 28 LYS CB C 13 32.512 0.3 . 1 . . . . . 252 LYS CB . 52392 1 155 . 1 . 1 28 28 LYS N N 15 118.245 0.3 . 1 . . . . . 252 LYS N . 52392 1 156 . 1 . 1 29 29 VAL H H 1 8.548 0.02 . 1 . . . . . 253 VAL H . 52392 1 157 . 1 . 1 29 29 VAL HA H 1 4.494 0.02 . 1 . . . . . 253 VAL HA . 52392 1 158 . 1 . 1 29 29 VAL C C 13 173.84 0.3 . 1 . . . . . 253 VAL C . 52392 1 159 . 1 . 1 29 29 VAL CA C 13 58.768 0.3 . 1 . . . . . 253 VAL CA . 52392 1 160 . 1 . 1 29 29 VAL CB C 13 35.101 0.3 . 1 . . . . . 253 VAL CB . 52392 1 161 . 1 . 1 29 29 VAL N N 15 120.504 0.3 . 1 . . . . . 253 VAL N . 52392 1 162 . 1 . 1 30 30 GLN H H 1 8.439 0.02 . 1 . . . . . 254 GLN H . 52392 1 163 . 1 . 1 30 30 GLN C C 13 178.05 0.3 . 1 . . . . . 254 GLN C . 52392 1 164 . 1 . 1 30 30 GLN CA C 13 53.955 0.3 . 1 . . . . . 254 GLN CA . 52392 1 165 . 1 . 1 30 30 GLN CB C 13 29.686 0.3 . 1 . . . . . 254 GLN CB . 52392 1 166 . 1 . 1 30 30 GLN N N 15 119.598 0.3 . 1 . . . . . 254 GLN N . 52392 1 167 . 1 . 1 31 31 LYS H H 1 8.713 0.02 . 1 . . . . . 255 LYS H . 52392 1 168 . 1 . 1 31 31 LYS HA H 1 3.986 0.02 . 1 . . . . . 255 LYS HA . 52392 1 169 . 1 . 1 31 31 LYS C C 13 174.717 0.3 . 1 . . . . . 255 LYS C . 52392 1 170 . 1 . 1 31 31 LYS CA C 13 59.52 0.3 . 1 . . . . . 255 LYS CA . 52392 1 171 . 1 . 1 31 31 LYS CB C 13 31.448 0.3 . 1 . . . . . 255 LYS CB . 52392 1 172 . 1 . 1 31 31 LYS N N 15 123.098 0.3 . 1 . . . . . 255 LYS N . 52392 1 173 . 1 . 1 32 32 ASP H H 1 8.135 0.02 . 1 . . . . . 256 ASP H . 52392 1 174 . 1 . 1 32 32 ASP HA H 1 4.721 0.02 . 1 . . . . . 256 ASP HA . 52392 1 175 . 1 . 1 32 32 ASP C C 13 175.594 0.3 . 1 . . . . . 256 ASP C . 52392 1 176 . 1 . 1 32 32 ASP CA C 13 53.128 0.3 . 1 . . . . . 256 ASP CA . 52392 1 177 . 1 . 1 32 32 ASP CB C 13 40.263 0.3 . 1 . . . . . 256 ASP CB . 52392 1 178 . 1 . 1 32 32 ASP N N 15 116.34 0.3 . 1 . . . . . 256 ASP N . 52392 1 179 . 1 . 1 33 33 ASP H H 1 8.026 0.02 . 1 . . . . . 257 ASP H . 52392 1 180 . 1 . 1 33 33 ASP HA H 1 5.079 0.02 . 1 . . . . . 257 ASP HA . 52392 1 181 . 1 . 1 33 33 ASP C C 13 174.366 0.3 . 1 . . . . . 257 ASP C . 52392 1 182 . 1 . 1 33 33 ASP CA C 13 52.732 0.3 . 1 . . . . . 257 ASP CA . 52392 1 183 . 1 . 1 33 33 ASP CB C 13 42.011 0.3 . 1 . . . . . 257 ASP CB . 52392 1 184 . 1 . 1 33 33 ASP N N 15 120.783 0.3 . 1 . . . . . 257 ASP N . 52392 1 185 . 1 . 1 34 34 ILE H H 1 7.704 0.02 . 1 . . . . . 258 ILE H . 52392 1 186 . 1 . 1 34 34 ILE HA H 1 5.254 0.02 . 1 . . . . . 258 ILE HA . 52392 1 187 . 1 . 1 34 34 ILE C C 13 171.403 0.3 . 1 . . . . . 258 ILE C . 52392 1 188 . 1 . 1 34 34 ILE CA C 13 56.704 0.3 . 1 . . . . . 258 ILE CA . 52392 1 189 . 1 . 1 34 34 ILE CB C 13 42.808 0.3 . 1 . . . . . 258 ILE CB . 52392 1 190 . 1 . 1 34 34 ILE N N 15 118.17 0.3 . 1 . . . . . 258 ILE N . 52392 1 191 . 1 . 1 35 35 GLU H H 1 8.789 0.02 . 1 . . . . . 259 GLU H . 52392 1 192 . 1 . 1 35 35 GLU HA H 1 4.775 0.02 . 1 . . . . . 259 GLU HA . 52392 1 193 . 1 . 1 35 35 GLU C C 13 174.015 0.3 . 1 . . . . . 259 GLU C . 52392 1 194 . 1 . 1 35 35 GLU CA C 13 54.258 0.3 . 1 . . . . . 259 GLU CA . 52392 1 195 . 1 . 1 35 35 GLU CB C 13 33.24 0.3 . 1 . . . . . 259 GLU CB . 52392 1 196 . 1 . 1 35 35 GLU N N 15 124.962 0.3 . 1 . . . . . 259 GLU N . 52392 1 197 . 1 . 1 36 36 VAL H H 1 9.286 0.02 . 1 . . . . . 260 VAL H . 52392 1 198 . 1 . 1 36 36 VAL HA H 1 4.312 0.02 . 1 . . . . . 260 VAL HA . 52392 1 199 . 1 . 1 36 36 VAL C C 13 173.559 0.3 . 1 . . . . . 260 VAL C . 52392 1 200 . 1 . 1 36 36 VAL CA C 13 61.381 0.3 . 1 . . . . . 260 VAL CA . 52392 1 201 . 1 . 1 36 36 VAL CB C 13 32.476 0.3 . 1 . . . . . 260 VAL CB . 52392 1 202 . 1 . 1 36 36 VAL N N 15 121.341 0.3 . 1 . . . . . 260 VAL N . 52392 1 203 . 1 . 1 37 37 ARG H H 1 8.806 0.02 . 1 . . . . . 261 ARG H . 52392 1 204 . 1 . 1 37 37 ARG HA H 1 4.631 0.02 . 1 . . . . . 261 ARG HA . 52392 1 205 . 1 . 1 37 37 ARG C C 13 174.015 0.3 . 1 . . . . . 261 ARG C . 52392 1 206 . 1 . 1 37 37 ARG CA C 13 55.151 0.3 . 1 . . . . . 261 ARG CA . 52392 1 207 . 1 . 1 37 37 ARG CB C 13 33.204 0.3 . 1 . . . . . 261 ARG CB . 52392 1 208 . 1 . 1 37 37 ARG N N 15 128.631 0.3 . 1 . . . . . 261 ARG N . 52392 1 209 . 1 . 1 38 38 PHE H H 1 9.116 0.02 . 1 . . . . . 262 PHE H . 52392 1 210 . 1 . 1 38 38 PHE HA H 1 5.533 0.02 . 1 . . . . . 262 PHE HA . 52392 1 211 . 1 . 1 38 38 PHE C C 13 174.892 0.3 . 1 . . . . . 262 PHE C . 52392 1 212 . 1 . 1 38 38 PHE CA C 13 55.748 0.3 . 1 . . . . . 262 PHE CA . 52392 1 213 . 1 . 1 38 38 PHE CB C 13 41.091 0.3 . 1 . . . . . 262 PHE CB . 52392 1 214 . 1 . 1 38 38 PHE N N 15 129.367 0.3 . 1 . . . . . 262 PHE N . 52392 1 215 . 1 . 1 39 39 TYR H H 1 9.329 0.02 . 1 . . . . . 263 TYR H . 52392 1 216 . 1 . 1 39 39 TYR HA H 1 5.35 0.02 . 1 . . . . . 263 TYR HA . 52392 1 217 . 1 . 1 39 39 TYR C C 13 172.962 0.3 . 1 . . . . . 263 TYR C . 52392 1 218 . 1 . 1 39 39 TYR CA C 13 57.264 0.3 . 1 . . . . . 263 TYR CA . 52392 1 219 . 1 . 1 39 39 TYR CB C 13 39.449 0.3 . 1 . . . . . 263 TYR CB . 52392 1 220 . 1 . 1 39 39 TYR N N 15 115.732 0.3 . 1 . . . . . 263 TYR N . 52392 1 221 . 1 . 1 40 40 GLU H H 1 8.348 0.02 . 1 . . . . . 264 GLU H . 52392 1 222 . 1 . 1 40 40 GLU HA H 1 4.98 0.02 . 1 . . . . . 264 GLU HA . 52392 1 223 . 1 . 1 40 40 GLU C C 13 175.77 0.3 . 1 . . . . . 264 GLU C . 52392 1 224 . 1 . 1 40 40 GLU CA C 13 55.008 0.3 . 1 . . . . . 264 GLU CA . 52392 1 225 . 1 . 1 40 40 GLU CB C 13 33.358 0.3 . 1 . . . . . 264 GLU CB . 52392 1 226 . 1 . 1 40 40 GLU N N 15 117.13 0.3 . 1 . . . . . 264 GLU N . 52392 1 227 . 1 . 1 41 41 ASP H H 1 8.978 0.02 . 1 . . . . . 265 ASP H . 52392 1 228 . 1 . 1 41 41 ASP HA H 1 5.076 0.02 . 1 . . . . . 265 ASP HA . 52392 1 229 . 1 . 1 41 41 ASP C C 13 174.699 0.3 . 1 . . . . . 265 ASP C . 52392 1 230 . 1 . 1 41 41 ASP CA C 13 53.147 0.3 . 1 . . . . . 265 ASP CA . 52392 1 231 . 1 . 1 41 41 ASP CB C 13 40.226 0.3 . 1 . . . . . 265 ASP CB . 52392 1 232 . 1 . 1 41 41 ASP N N 15 123.13 0.3 . 1 . . . . . 265 ASP N . 52392 1 233 . 1 . 1 42 42 ASP H H 1 7.742 0.02 . 1 . . . . . 266 ASP H . 52392 1 234 . 1 . 1 42 42 ASP HA H 1 4.747 0.02 . 1 . . . . . 266 ASP HA . 52392 1 235 . 1 . 1 42 42 ASP C C 13 176.471 0.3 . 1 . . . . . 266 ASP C . 52392 1 236 . 1 . 1 42 42 ASP CA C 13 52.937 0.3 . 1 . . . . . 266 ASP CA . 52392 1 237 . 1 . 1 42 42 ASP CB C 13 41.343 0.3 . 1 . . . . . 266 ASP CB . 52392 1 238 . 1 . 1 42 42 ASP N N 15 119.301 0.3 . 1 . . . . . 266 ASP N . 52392 1 239 . 1 . 1 43 43 GLU H H 1 8.682 0.02 . 1 . . . . . 267 GLU H . 52392 1 240 . 1 . 1 43 43 GLU HA H 1 4.124 0.02 . 1 . . . . . 267 GLU HA . 52392 1 241 . 1 . 1 43 43 GLU C C 13 177.173 0.3 . 1 . . . . . 267 GLU C . 52392 1 242 . 1 . 1 43 43 GLU CA C 13 58.392 0.3 . 1 . . . . . 267 GLU CA . 52392 1 243 . 1 . 1 43 43 GLU CB C 13 28.835 0.3 . 1 . . . . . 267 GLU CB . 52392 1 244 . 1 . 1 43 43 GLU N N 15 119.154 0.3 . 1 . . . . . 267 GLU N . 52392 1 245 . 1 . 1 44 44 ASN H H 1 8.22 0.02 . 1 . . . . . 268 ASN H . 52392 1 246 . 1 . 1 44 44 ASN HA H 1 4.58 0.02 . 1 . . . . . 268 ASN HA . 52392 1 247 . 1 . 1 44 44 ASN C C 13 176.647 0.3 . 1 . . . . . 268 ASN C . 52392 1 248 . 1 . 1 44 44 ASN CA C 13 54.632 0.3 . 1 . . . . . 268 ASN CA . 52392 1 249 . 1 . 1 44 44 ASN CB C 13 38.519 0.3 . 1 . . . . . 268 ASN CB . 52392 1 250 . 1 . 1 44 44 ASN N N 15 117.972 0.3 . 1 . . . . . 268 ASN N . 52392 1 251 . 1 . 1 45 45 GLY H H 1 7.81 0.02 . 1 . . . . . 269 GLY H . 52392 1 252 . 1 . 1 45 45 GLY HA2 H 1 3.863 0.02 . 2 . . . . . 269 GLY HA2 . 52392 1 253 . 1 . 1 45 45 GLY HA3 H 1 4.182 0.02 . 2 . . . . . 269 GLY HA3 . 52392 1 254 . 1 . 1 45 45 GLY C C 13 174.191 0.3 . 1 . . . . . 269 GLY C . 52392 1 255 . 1 . 1 45 45 GLY CA C 13 46.744 0.3 . 1 . . . . . 269 GLY CA . 52392 1 256 . 1 . 1 45 45 GLY N N 15 107.263 0.3 . 1 . . . . . 269 GLY N . 52392 1 257 . 1 . 1 46 46 TRP H H 1 9.075 0.02 . 1 . . . . . 270 TRP H . 52392 1 258 . 1 . 1 46 46 TRP HA H 1 4.314 0.02 . 1 . . . . . 270 TRP HA . 52392 1 259 . 1 . 1 46 46 TRP C C 13 175.068 0.3 . 1 . . . . . 270 TRP C . 52392 1 260 . 1 . 1 46 46 TRP CA C 13 59.144 0.3 . 1 . . . . . 270 TRP CA . 52392 1 261 . 1 . 1 46 46 TRP CB C 13 28.04 0.3 . 1 . . . . . 270 TRP CB . 52392 1 262 . 1 . 1 46 46 TRP N N 15 122.829 0.3 . 1 . . . . . 270 TRP N . 52392 1 263 . 1 . 1 47 47 GLN H H 1 6.779 0.02 . 1 . . . . . 271 GLN H . 52392 1 264 . 1 . 1 47 47 GLN HA H 1 4.244 0.02 . 1 . . . . . 271 GLN HA . 52392 1 265 . 1 . 1 47 47 GLN C C 13 175.857 0.3 . 1 . . . . . 271 GLN C . 52392 1 266 . 1 . 1 47 47 GLN CA C 13 53.128 0.3 . 1 . . . . . 271 GLN CA . 52392 1 267 . 1 . 1 47 47 GLN CB C 13 30.71 0.3 . 1 . . . . . 271 GLN CB . 52392 1 268 . 1 . 1 47 47 GLN N N 15 120.833 0.3 . 1 . . . . . 271 GLN N . 52392 1 269 . 1 . 1 48 48 ALA H H 1 8.23 0.02 . 1 . . . . . 272 ALA H . 52392 1 270 . 1 . 1 48 48 ALA HA H 1 4.127 0.02 . 1 . . . . . 272 ALA HA . 52392 1 271 . 1 . 1 48 48 ALA C C 13 174.015 0.3 . 1 . . . . . 272 ALA C . 52392 1 272 . 1 . 1 48 48 ALA CA C 13 50.937 0.3 . 1 . . . . . 272 ALA CA . 52392 1 273 . 1 . 1 48 48 ALA CB C 13 21.821 0.3 . 1 . . . . . 272 ALA CB . 52392 1 274 . 1 . 1 48 48 ALA N N 15 121.409 0.3 . 1 . . . . . 272 ALA N . 52392 1 275 . 1 . 1 49 49 PHE H H 1 8.489 0.02 . 1 . . . . . 273 PHE H . 52392 1 276 . 1 . 1 49 49 PHE HA H 1 5.694 0.02 . 1 . . . . . 273 PHE HA . 52392 1 277 . 1 . 1 49 49 PHE C C 13 176.91 0.3 . 1 . . . . . 273 PHE C . 52392 1 278 . 1 . 1 49 49 PHE CA C 13 56.888 0.3 . 1 . . . . . 273 PHE CA . 52392 1 279 . 1 . 1 49 49 PHE CB C 13 41.051 0.3 . 1 . . . . . 273 PHE CB . 52392 1 280 . 1 . 1 49 49 PHE N N 15 116.186 0.3 . 1 . . . . . 273 PHE N . 52392 1 281 . 1 . 1 50 50 GLY H H 1 9.344 0.02 . 1 . . . . . 274 GLY H . 52392 1 282 . 1 . 1 50 50 GLY HA2 H 1 3.271 0.02 . 2 . . . . . 274 GLY HA2 . 52392 1 283 . 1 . 1 50 50 GLY HA3 H 1 3.434 0.02 . 2 . . . . . 274 GLY HA3 . 52392 1 284 . 1 . 1 50 50 GLY C C 13 172.19 0.3 . 1 . . . . . 274 GLY C . 52392 1 285 . 1 . 1 50 50 GLY CA C 13 45.647 0.3 . 1 . . . . . 274 GLY CA . 52392 1 286 . 1 . 1 50 50 GLY N N 15 106.391 0.3 . 1 . . . . . 274 GLY N . 52392 1 287 . 1 . 1 51 51 ASP H H 1 9.158 0.02 . 1 . . . . . 275 ASP H . 52392 1 288 . 1 . 1 51 51 ASP HA H 1 5.054 0.02 . 1 . . . . . 275 ASP HA . 52392 1 289 . 1 . 1 51 51 ASP C C 13 175.068 0.3 . 1 . . . . . 275 ASP C . 52392 1 290 . 1 . 1 51 51 ASP CA C 13 54.023 0.3 . 1 . . . . . 275 ASP CA . 52392 1 291 . 1 . 1 51 51 ASP CB C 13 43.086 0.3 . 1 . . . . . 275 ASP CB . 52392 1 292 . 1 . 1 51 51 ASP N N 15 124.971 0.3 . 1 . . . . . 275 ASP N . 52392 1 293 . 1 . 1 52 52 PHE H H 1 7.828 0.02 . 1 . . . . . 276 PHE H . 52392 1 294 . 1 . 1 52 52 PHE HA H 1 4.985 0.02 . 1 . . . . . 276 PHE HA . 52392 1 295 . 1 . 1 52 52 PHE C C 13 172.962 0.3 . 1 . . . . . 276 PHE C . 52392 1 296 . 1 . 1 52 52 PHE CA C 13 56.888 0.3 . 1 . . . . . 276 PHE CA . 52392 1 297 . 1 . 1 52 52 PHE CB C 13 39.523 0.3 . 1 . . . . . 276 PHE CB . 52392 1 298 . 1 . 1 52 52 PHE N N 15 121.249 0.3 . 1 . . . . . 276 PHE N . 52392 1 299 . 1 . 1 53 53 SER H H 1 9.745 0.02 . 1 . . . . . 277 SER H . 52392 1 300 . 1 . 1 53 53 SER HA H 1 4.883 0.02 . 9 . . . . . 277 SER HA . 52392 1 301 . 1 . 1 53 53 SER CA C 13 56.066 0.3 . 1 . . . . . 277 SER CA . 52392 1 302 . 1 . 1 53 53 SER CB C 13 64.144 0.3 . 1 . . . . . 277 SER CB . 52392 1 303 . 1 . 1 53 53 SER N N 15 119.796 0.3 . 1 . . . . . 277 SER N . 52392 1 304 . 1 . 1 54 54 PRO HA H 1 4.415 0.02 . 9 . . . . . 278 PRO HA . 52392 1 305 . 1 . 1 54 54 PRO C C 13 178.226 0.3 . 1 . . . . . 278 PRO C . 52392 1 306 . 1 . 1 54 54 PRO CA C 13 66.234 0.3 . 1 . . . . . 278 PRO CA . 52392 1 307 . 1 . 1 54 54 PRO CB C 13 31.479 0.3 . 1 . . . . . 278 PRO CB . 52392 1 308 . 1 . 1 55 55 THR H H 1 7.234 0.02 . 1 . . . . . 279 THR H . 52392 1 309 . 1 . 1 55 55 THR HA H 1 4.422 0.02 . 9 . . . . . 279 THR HA . 52392 1 310 . 1 . 1 55 55 THR C C 13 175.243 0.3 . 1 . . . . . 279 THR C . 52392 1 311 . 1 . 1 55 55 THR CA C 13 63.105 0.3 . 1 . . . . . 279 THR CA . 52392 1 312 . 1 . 1 55 55 THR CB C 13 68.15 0.3 . 1 . . . . . 279 THR CB . 52392 1 313 . 1 . 1 55 55 THR N N 15 104.222 0.3 . 1 . . . . . 279 THR N . 52392 1 314 . 1 . 1 56 56 ASP H H 1 8.295 0.02 . 1 . . . . . 280 ASP H . 52392 1 315 . 1 . 1 56 56 ASP HA H 1 4.603 0.02 . 1 . . . . . 280 ASP HA . 52392 1 316 . 1 . 1 56 56 ASP C C 13 174.892 0.3 . 1 . . . . . 280 ASP C . 52392 1 317 . 1 . 1 56 56 ASP CA C 13 55.87 0.3 . 1 . . . . . 280 ASP CA . 52392 1 318 . 1 . 1 56 56 ASP CB C 13 41.976 0.3 . 1 . . . . . 280 ASP CB . 52392 1 319 . 1 . 1 56 56 ASP N N 15 121.992 0.3 . 1 . . . . . 280 ASP N . 52392 1 320 . 1 . 1 57 57 VAL H H 1 7.076 0.02 . 1 . . . . . 281 VAL H . 52392 1 321 . 1 . 1 57 57 VAL HA H 1 4.6 0.02 . 1 . . . . . 281 VAL HA . 52392 1 322 . 1 . 1 57 57 VAL C C 13 175.068 0.3 . 1 . . . . . 281 VAL C . 52392 1 323 . 1 . 1 57 57 VAL CA C 13 61.437 0.3 . 1 . . . . . 281 VAL CA . 52392 1 324 . 1 . 1 57 57 VAL CB C 13 29.967 0.3 . 1 . . . . . 281 VAL CB . 52392 1 325 . 1 . 1 57 57 VAL N N 15 120.451 0.3 . 1 . . . . . 281 VAL N . 52392 1 326 . 1 . 1 58 58 HIS H H 1 8.634 0.02 . 1 . . . . . 282 HIS H . 52392 1 327 . 1 . 1 58 58 HIS HA H 1 4.645 0.02 . 1 . . . . . 282 HIS HA . 52392 1 328 . 1 . 1 58 58 HIS C C 13 172.962 0.3 . 1 . . . . . 282 HIS C . 52392 1 329 . 1 . 1 58 58 HIS CA C 13 55.76 0.3 . 1 . . . . . 282 HIS CA . 52392 1 330 . 1 . 1 58 58 HIS CB C 13 32.378 0.3 . 1 . . . . . 282 HIS CB . 52392 1 331 . 1 . 1 58 58 HIS N N 15 130.5 0.3 . 1 . . . . . 282 HIS N . 52392 1 332 . 1 . 1 59 59 LYS H H 1 8.641 0.02 . 1 . . . . . 283 LYS H . 52392 1 333 . 1 . 1 59 59 LYS HA H 1 4.569 0.02 . 1 . . . . . 283 LYS HA . 52392 1 334 . 1 . 1 59 59 LYS C C 13 174.015 0.3 . 1 . . . . . 283 LYS C . 52392 1 335 . 1 . 1 59 59 LYS CA C 13 55.008 0.3 . 1 . . . . . 283 LYS CA . 52392 1 336 . 1 . 1 59 59 LYS CB C 13 28.84 0.3 . 1 . . . . . 283 LYS CB . 52392 1 337 . 1 . 1 59 59 LYS N N 15 122.724 0.3 . 1 . . . . . 283 LYS N . 52392 1 338 . 1 . 1 60 60 GLN H H 1 7.172 0.02 . 1 . . . . . 284 GLN H . 52392 1 339 . 1 . 1 60 60 GLN HA H 1 3.436 0.02 . 1 . . . . . 284 GLN HA . 52392 1 340 . 1 . 1 60 60 GLN C C 13 174.015 0.3 . 1 . . . . . 284 GLN C . 52392 1 341 . 1 . 1 60 60 GLN CA C 13 58.542 0.3 . 1 . . . . . 284 GLN CA . 52392 1 342 . 1 . 1 60 60 GLN CB C 13 28.84 0.3 . 1 . . . . . 284 GLN CB . 52392 1 343 . 1 . 1 60 60 GLN N N 15 105.418 0.3 . 1 . . . . . 284 GLN N . 52392 1 344 . 1 . 1 61 61 TYR H H 1 7.737 0.02 . 1 . . . . . 285 TYR H . 52392 1 345 . 1 . 1 61 61 TYR HA H 1 5.223 0.02 . 1 . . . . . 285 TYR HA . 52392 1 346 . 1 . 1 61 61 TYR C C 13 174.366 0.3 . 1 . . . . . 285 TYR C . 52392 1 347 . 1 . 1 61 61 TYR CA C 13 59.144 0.3 . 1 . . . . . 285 TYR CA . 52392 1 348 . 1 . 1 61 61 TYR CB C 13 42.035 0.3 . 1 . . . . . 285 TYR CB . 52392 1 349 . 1 . 1 61 61 TYR N N 15 114.465 0.3 . 1 . . . . . 285 TYR N . 52392 1 350 . 1 . 1 62 62 ALA H H 1 7.498 0.02 . 1 . . . . . 286 ALA H . 52392 1 351 . 1 . 1 62 62 ALA HA H 1 5.535 0.02 . 1 . . . . . 286 ALA HA . 52392 1 352 . 1 . 1 62 62 ALA C C 13 175.085 0.3 . 1 . . . . . 286 ALA C . 52392 1 353 . 1 . 1 62 62 ALA CA C 13 51.267 0.3 . 1 . . . . . 286 ALA CA . 52392 1 354 . 1 . 1 62 62 ALA CB C 13 22.922 0.3 . 1 . . . . . 286 ALA CB . 52392 1 355 . 1 . 1 62 62 ALA N N 15 119.946 0.3 . 1 . . . . . 286 ALA N . 52392 1 356 . 1 . 1 63 63 ILE H H 1 9.317 0.02 . 1 . . . . . 287 ILE H . 52392 1 357 . 1 . 1 63 63 ILE HA H 1 4.403 0.02 . 1 . . . . . 287 ILE HA . 52392 1 358 . 1 . 1 63 63 ILE C C 13 173.84 0.3 . 1 . . . . . 287 ILE C . 52392 1 359 . 1 . 1 63 63 ILE CA C 13 60.945 0.3 . 1 . . . . . 287 ILE CA . 52392 1 360 . 1 . 1 63 63 ILE CB C 13 42.772 0.3 . 1 . . . . . 287 ILE CB . 52392 1 361 . 1 . 1 63 63 ILE N N 15 120.156 0.3 . 1 . . . . . 287 ILE N . 52392 1 362 . 1 . 1 64 64 VAL H H 1 7.415 0.02 . 1 . . . . . 288 VAL H . 52392 1 363 . 1 . 1 64 64 VAL HA H 1 4.819 0.02 . 1 . . . . . 288 VAL HA . 52392 1 364 . 1 . 1 64 64 VAL C C 13 174.717 0.3 . 1 . . . . . 288 VAL C . 52392 1 365 . 1 . 1 64 64 VAL CA C 13 60.684 0.3 . 1 . . . . . 288 VAL CA . 52392 1 366 . 1 . 1 64 64 VAL CB C 13 31.537 0.3 . 1 . . . . . 288 VAL CB . 52392 1 367 . 1 . 1 64 64 VAL N N 15 128.364 0.3 . 1 . . . . . 288 VAL N . 52392 1 368 . 1 . 1 65 65 PHE H H 1 8.483 0.02 . 1 . . . . . 289 PHE H . 52392 1 369 . 1 . 1 65 65 PHE HA H 1 5.627 0.02 . 1 . . . . . 289 PHE HA . 52392 1 370 . 1 . 1 65 65 PHE C C 13 172.103 0.3 . 1 . . . . . 289 PHE C . 52392 1 371 . 1 . 1 65 65 PHE CA C 13 54.407 0.3 . 1 . . . . . 289 PHE CA . 52392 1 372 . 1 . 1 65 65 PHE CB C 13 42.87 0.3 . 1 . . . . . 289 PHE CB . 52392 1 373 . 1 . 1 65 65 PHE N N 15 120 0.3 . 1 . . . . . 289 PHE N . 52392 1 374 . 1 . 1 66 66 ARG H H 1 9.012 0.02 . 1 . . . . . 290 ARG H . 52392 1 375 . 1 . 1 66 66 ARG HA H 1 5.5 0.02 . 1 . . . . . 290 ARG HA . 52392 1 376 . 1 . 1 66 66 ARG C C 13 177.875 0.3 . 1 . . . . . 290 ARG C . 52392 1 377 . 1 . 1 66 66 ARG CA C 13 53.128 0.3 . 1 . . . . . 290 ARG CA . 52392 1 378 . 1 . 1 66 66 ARG CB C 13 32.323 0.3 . 1 . . . . . 290 ARG CB . 52392 1 379 . 1 . 1 66 66 ARG N N 15 117.624 0.3 . 1 . . . . . 290 ARG N . 52392 1 380 . 1 . 1 67 67 THR H H 1 8.832 0.02 . 1 . . . . . 291 THR H . 52392 1 381 . 1 . 1 67 67 THR HA H 1 5.41 0.02 . 1 . . . . . 291 THR HA . 52392 1 382 . 1 . 1 67 67 THR CA C 13 59.538 0.3 . 1 . . . . . 291 THR CA . 52392 1 383 . 1 . 1 67 67 THR CB C 13 67.302 0.3 . 1 . . . . . 291 THR CB . 52392 1 384 . 1 . 1 67 67 THR N N 15 114.047 0.3 . 1 . . . . . 291 THR N . 52392 1 385 . 1 . 1 69 69 PRO HA H 1 4.118 0.02 . 9 . . . . . 293 PRO HA . 52392 1 386 . 1 . 1 69 69 PRO C C 13 176.471 0.3 . 1 . . . . . 293 PRO C . 52392 1 387 . 1 . 1 69 69 PRO CA C 13 62.114 0.3 . 1 . . . . . 293 PRO CA . 52392 1 388 . 1 . 1 69 69 PRO CB C 13 31.495 0.3 . 1 . . . . . 293 PRO CB . 52392 1 389 . 1 . 1 70 70 TYR H H 1 7.609 0.02 . 1 . . . . . 294 TYR H . 52392 1 390 . 1 . 1 70 70 TYR HA H 1 3.93 0.02 . 1 . . . . . 294 TYR HA . 52392 1 391 . 1 . 1 70 70 TYR C C 13 174.015 0.3 . 1 . . . . . 294 TYR C . 52392 1 392 . 1 . 1 70 70 TYR CA C 13 56.155 0.3 . 1 . . . . . 294 TYR CA . 52392 1 393 . 1 . 1 70 70 TYR CB C 13 36.692 0.3 . 1 . . . . . 294 TYR CB . 52392 1 394 . 1 . 1 70 70 TYR N N 15 120.771 0.3 . 1 . . . . . 294 TYR N . 52392 1 395 . 1 . 1 71 71 HIS H H 1 3.864 0.02 . 1 . . . . . 295 HIS H . 52392 1 396 . 1 . 1 71 71 HIS HA H 1 4.023 0.02 . 1 . . . . . 295 HIS HA . 52392 1 397 . 1 . 1 71 71 HIS C C 13 173.489 0.3 . 1 . . . . . 295 HIS C . 52392 1 398 . 1 . 1 71 71 HIS CA C 13 55.779 0.3 . 1 . . . . . 295 HIS CA . 52392 1 399 . 1 . 1 71 71 HIS CB C 13 29.73 0.3 . 1 . . . . . 295 HIS CB . 52392 1 400 . 1 . 1 71 71 HIS N N 15 116.552 0.3 . 1 . . . . . 295 HIS N . 52392 1 401 . 1 . 1 72 72 LYS H H 1 5.375 0.02 . 1 . . . . . 296 LYS H . 52392 1 402 . 1 . 1 72 72 LYS HA H 1 4.255 0.02 . 1 . . . . . 296 LYS HA . 52392 1 403 . 1 . 1 72 72 LYS C C 13 173.84 0.3 . 1 . . . . . 296 LYS C . 52392 1 404 . 1 . 1 72 72 LYS CA C 13 54.275 0.3 . 1 . . . . . 296 LYS CA . 52392 1 405 . 1 . 1 72 72 LYS CB C 13 34.045 0.3 . 1 . . . . . 296 LYS CB . 52392 1 406 . 1 . 1 72 72 LYS N N 15 119.093 0.3 . 1 . . . . . 296 LYS N . 52392 1 407 . 1 . 1 73 73 MET H H 1 7.896 0.02 . 1 . . . . . 297 MET H . 52392 1 408 . 1 . 1 73 73 MET HA H 1 4.469 0.02 . 1 . . . . . 297 MET HA . 52392 1 409 . 1 . 1 73 73 MET C C 13 176.822 0.3 . 1 . . . . . 297 MET C . 52392 1 410 . 1 . 1 73 73 MET CA C 13 55.008 0.3 . 1 . . . . . 297 MET CA . 52392 1 411 . 1 . 1 73 73 MET CB C 13 33.26 0.3 . 1 . . . . . 297 MET CB . 52392 1 412 . 1 . 1 73 73 MET N N 15 118.102 0.3 . 1 . . . . . 297 MET N . 52392 1 413 . 1 . 1 74 74 LYS H H 1 7.642 0.02 . 1 . . . . . 298 LYS H . 52392 1 414 . 1 . 1 74 74 LYS HA H 1 4.495 0.02 . 1 . . . . . 298 LYS HA . 52392 1 415 . 1 . 1 74 74 LYS C C 13 175.243 0.3 . 1 . . . . . 298 LYS C . 52392 1 416 . 1 . 1 74 74 LYS CA C 13 54.874 0.3 . 1 . . . . . 298 LYS CA . 52392 1 417 . 1 . 1 74 74 LYS CB C 13 31.234 0.3 . 1 . . . . . 298 LYS CB . 52392 1 418 . 1 . 1 74 74 LYS N N 15 118.731 0.3 . 1 . . . . . 298 LYS N . 52392 1 419 . 1 . 1 75 75 ILE H H 1 7.222 0.02 . 1 . . . . . 299 ILE H . 52392 1 420 . 1 . 1 75 75 ILE HA H 1 4.482 0.02 . 1 . . . . . 299 ILE HA . 52392 1 421 . 1 . 1 75 75 ILE C C 13 175.594 0.3 . 1 . . . . . 299 ILE C . 52392 1 422 . 1 . 1 75 75 ILE CA C 13 60.629 0.3 . 1 . . . . . 299 ILE CA . 52392 1 423 . 1 . 1 75 75 ILE CB C 13 39.928 0.3 . 1 . . . . . 299 ILE CB . 52392 1 424 . 1 . 1 75 75 ILE N N 15 115.723 0.3 . 1 . . . . . 299 ILE N . 52392 1 425 . 1 . 1 76 76 GLU H H 1 8.709 0.02 . 1 . . . . . 300 GLU H . 52392 1 426 . 1 . 1 76 76 GLU HA H 1 4.273 0.02 . 1 . . . . . 300 GLU HA . 52392 1 427 . 1 . 1 76 76 GLU C C 13 175.419 0.3 . 1 . . . . . 300 GLU C . 52392 1 428 . 1 . 1 76 76 GLU CA C 13 56.977 0.3 . 1 . . . . . 300 GLU CA . 52392 1 429 . 1 . 1 76 76 GLU CB C 13 30.637 0.3 . 1 . . . . . 300 GLU CB . 52392 1 430 . 1 . 1 76 76 GLU N N 15 120.229 0.3 . 1 . . . . . 300 GLU N . 52392 1 431 . 1 . 1 77 77 ARG H H 1 7.493 0.02 . 1 . . . . . 301 ARG H . 52392 1 432 . 1 . 1 77 77 ARG HA H 1 4.337 0.02 . 1 . . . . . 301 ARG HA . 52392 1 433 . 1 . 1 77 77 ARG CA C 13 52.395 0.3 . 1 . . . . . 301 ARG CA . 52392 1 434 . 1 . 1 77 77 ARG CB C 13 30.462 0.3 . 1 . . . . . 301 ARG CB . 52392 1 435 . 1 . 1 77 77 ARG N N 15 116.9 0.3 . 1 . . . . . 301 ARG N . 52392 1 436 . 1 . 1 78 78 PRO HA H 1 4.587 0.02 . 9 . . . . . 302 PRO HA . 52392 1 437 . 1 . 1 78 78 PRO C C 13 175.77 0.3 . 1 . . . . . 302 PRO C . 52392 1 438 . 1 . 1 78 78 PRO CA C 13 63.105 0.3 . 1 . . . . . 302 PRO CA . 52392 1 439 . 1 . 1 78 78 PRO CB C 13 31.495 0.3 . 1 . . . . . 302 PRO CB . 52392 1 440 . 1 . 1 79 79 VAL H H 1 8.308 0.02 . 1 . . . . . 303 VAL H . 52392 1 441 . 1 . 1 79 79 VAL HA H 1 4.32 0.02 . 1 . . . . . 303 VAL HA . 52392 1 442 . 1 . 1 79 79 VAL C C 13 173.506 0.3 . 1 . . . . . 303 VAL C . 52392 1 443 . 1 . 1 79 79 VAL CA C 13 60.272 0.3 . 1 . . . . . 303 VAL CA . 52392 1 444 . 1 . 1 79 79 VAL CB C 13 35.041 0.3 . 1 . . . . . 303 VAL CB . 52392 1 445 . 1 . 1 79 79 VAL N N 15 121.699 0.3 . 1 . . . . . 303 VAL N . 52392 1 446 . 1 . 1 80 80 THR H H 1 8.555 0.02 . 1 . . . . . 304 THR H . 52392 1 447 . 1 . 1 80 80 THR HA H 1 4.888 0.02 . 1 . . . . . 304 THR HA . 52392 1 448 . 1 . 1 80 80 THR C C 13 173.84 0.3 . 1 . . . . . 304 THR C . 52392 1 449 . 1 . 1 80 80 THR CA C 13 62.189 0.3 . 1 . . . . . 304 THR CA . 52392 1 450 . 1 . 1 80 80 THR CB C 13 69.141 0.3 . 1 . . . . . 304 THR CB . 52392 1 451 . 1 . 1 80 80 THR N N 15 123.633 0.3 . 1 . . . . . 304 THR N . 52392 1 452 . 1 . 1 81 81 VAL H H 1 9.288 0.02 . 1 . . . . . 305 VAL H . 52392 1 453 . 1 . 1 81 81 VAL HA H 1 4.684 0.02 . 1 . . . . . 305 VAL HA . 52392 1 454 . 1 . 1 81 81 VAL C C 13 172.805 0.3 . 1 . . . . . 305 VAL C . 52392 1 455 . 1 . 1 81 81 VAL CA C 13 58.392 0.3 . 1 . . . . . 305 VAL CA . 52392 1 456 . 1 . 1 81 81 VAL CB C 13 32.964 0.3 . 1 . . . . . 305 VAL CB . 52392 1 457 . 1 . 1 81 81 VAL N N 15 122.806 0.3 . 1 . . . . . 305 VAL N . 52392 1 458 . 1 . 1 82 82 PHE H H 1 8.207 0.02 . 1 . . . . . 306 PHE H . 52392 1 459 . 1 . 1 82 82 PHE HA H 1 5.4 0.02 . 1 . . . . . 306 PHE HA . 52392 1 460 . 1 . 1 82 82 PHE C C 13 174.155 0.3 . 1 . . . . . 306 PHE C . 52392 1 461 . 1 . 1 82 82 PHE CA C 13 55.998 0.3 . 1 . . . . . 306 PHE CA . 52392 1 462 . 1 . 1 82 82 PHE CB C 13 41.988 0.3 . 1 . . . . . 306 PHE CB . 52392 1 463 . 1 . 1 82 82 PHE N N 15 116.069 0.3 . 1 . . . . . 306 PHE N . 52392 1 464 . 1 . 1 83 83 LEU H H 1 8.53 0.02 . 1 . . . . . 307 LEU H . 52392 1 465 . 1 . 1 83 83 LEU HA H 1 5.409 0.02 . 1 . . . . . 307 LEU HA . 52392 1 466 . 1 . 1 83 83 LEU C C 13 174.717 0.3 . 1 . . . . . 307 LEU C . 52392 1 467 . 1 . 1 83 83 LEU CA C 13 53.706 0.3 . 1 . . . . . 307 LEU CA . 52392 1 468 . 1 . 1 83 83 LEU CB C 13 44.173 0.3 . 1 . . . . . 307 LEU CB . 52392 1 469 . 1 . 1 83 83 LEU N N 15 116.347 0.3 . 1 . . . . . 307 LEU N . 52392 1 470 . 1 . 1 84 84 GLN H H 1 8.899 0.02 . 1 . . . . . 308 GLN H . 52392 1 471 . 1 . 1 84 84 GLN HA H 1 4.745 0.02 . 1 . . . . . 308 GLN HA . 52392 1 472 . 1 . 1 84 84 GLN C C 13 173.489 0.3 . 1 . . . . . 308 GLN C . 52392 1 473 . 1 . 1 84 84 GLN CA C 13 53.128 0.3 . 1 . . . . . 308 GLN CA . 52392 1 474 . 1 . 1 84 84 GLN CB C 13 30.027 0.3 . 1 . . . . . 308 GLN CB . 52392 1 475 . 1 . 1 84 84 GLN N N 15 116.56 0.3 . 1 . . . . . 308 GLN N . 52392 1 476 . 1 . 1 85 85 LEU H H 1 8.388 0.02 . 1 . . . . . 309 LEU H . 52392 1 477 . 1 . 1 85 85 LEU HA H 1 4.765 0.02 . 1 . . . . . 309 LEU HA . 52392 1 478 . 1 . 1 85 85 LEU C C 13 175.961 0.3 . 1 . . . . . 309 LEU C . 52392 1 479 . 1 . 1 85 85 LEU CA C 13 53.109 0.3 . 1 . . . . . 309 LEU CA . 52392 1 480 . 1 . 1 85 85 LEU CB C 13 43.685 0.3 . 1 . . . . . 309 LEU CB . 52392 1 481 . 1 . 1 85 85 LEU N N 15 119.812 0.3 . 1 . . . . . 309 LEU N . 52392 1 482 . 1 . 1 86 86 LYS H H 1 8.377 0.02 . 1 . . . . . 310 LYS H . 52392 1 483 . 1 . 1 86 86 LYS HA H 1 5.133 0.02 . 1 . . . . . 310 LYS HA . 52392 1 484 . 1 . 1 86 86 LYS C C 13 174.717 0.3 . 1 . . . . . 310 LYS C . 52392 1 485 . 1 . 1 86 86 LYS CA C 13 54.587 0.3 . 1 . . . . . 310 LYS CA . 52392 1 486 . 1 . 1 86 86 LYS CB C 13 35.852 0.3 . 1 . . . . . 310 LYS CB . 52392 1 487 . 1 . 1 86 86 LYS N N 15 119.068 0.3 . 1 . . . . . 310 LYS N . 52392 1 488 . 1 . 1 87 87 ARG H H 1 7.938 0.02 . 1 . . . . . 311 ARG H . 52392 1 489 . 1 . 1 87 87 ARG HA H 1 4.637 0.02 . 1 . . . . . 311 ARG HA . 52392 1 490 . 1 . 1 87 87 ARG C C 13 176.647 0.3 . 1 . . . . . 311 ARG C . 52392 1 491 . 1 . 1 87 87 ARG CA C 13 56.136 0.3 . 1 . . . . . 311 ARG CA . 52392 1 492 . 1 . 1 87 87 ARG CB C 13 30.65 0.3 . 1 . . . . . 311 ARG CB . 52392 1 493 . 1 . 1 87 87 ARG N N 15 123.559 0.3 . 1 . . . . . 311 ARG N . 52392 1 494 . 1 . 1 88 88 LYS H H 1 7.531 0.02 . 1 . . . . . 312 LYS H . 52392 1 495 . 1 . 1 88 88 LYS HA H 1 3.892 0.02 . 1 . . . . . 312 LYS HA . 52392 1 496 . 1 . 1 88 88 LYS C C 13 177.875 0.3 . 1 . . . . . 312 LYS C . 52392 1 497 . 1 . 1 88 88 LYS CA C 13 59.144 0.3 . 1 . . . . . 312 LYS CA . 52392 1 498 . 1 . 1 88 88 LYS CB C 13 32.378 0.3 . 1 . . . . . 312 LYS CB . 52392 1 499 . 1 . 1 88 88 LYS N N 15 122.721 0.3 . 1 . . . . . 312 LYS N . 52392 1 500 . 1 . 1 89 89 ARG H H 1 8.88 0.02 . 1 . . . . . 313 ARG H . 52392 1 501 . 1 . 1 89 89 ARG HA H 1 4.36 0.02 . 1 . . . . . 313 ARG HA . 52392 1 502 . 1 . 1 89 89 ARG C C 13 176.471 0.3 . 1 . . . . . 313 ARG C . 52392 1 503 . 1 . 1 89 89 ARG CA C 13 55.76 0.3 . 1 . . . . . 313 ARG CA . 52392 1 504 . 1 . 1 89 89 ARG CB C 13 29.801 0.3 . 1 . . . . . 313 ARG CB . 52392 1 505 . 1 . 1 89 89 ARG N N 15 118.675 0.3 . 1 . . . . . 313 ARG N . 52392 1 506 . 1 . 1 90 90 GLY H H 1 7.917 0.02 . 1 . . . . . 314 GLY H . 52392 1 507 . 1 . 1 90 90 GLY HA2 H 1 4.356 0.02 . 1 . . . . . 314 GLY HA2 . 52392 1 508 . 1 . 1 90 90 GLY HA3 H 1 4.356 0.02 . 1 . . . . . 314 GLY HA3 . 52392 1 509 . 1 . 1 90 90 GLY C C 13 174.471 0.3 . 1 . . . . . 314 GLY C . 52392 1 510 . 1 . 1 90 90 GLY CA C 13 45.034 0.3 . 1 . . . . . 314 GLY CA . 52392 1 511 . 1 . 1 90 90 GLY N N 15 108.942 0.3 . 1 . . . . . 314 GLY N . 52392 1 512 . 1 . 1 91 91 GLY H H 1 7.751 0.02 . 1 . . . . . 315 GLY H . 52392 1 513 . 1 . 1 91 91 GLY HA2 H 1 4.135 0.02 . 2 . . . . . 315 GLY HA2 . 52392 1 514 . 1 . 1 91 91 GLY HA3 H 1 3.86 0.02 . 2 . . . . . 315 GLY HA3 . 52392 1 515 . 1 . 1 91 91 GLY C C 13 174.015 0.3 . 1 . . . . . 315 GLY C . 52392 1 516 . 1 . 1 91 91 GLY CA C 13 46.023 0.3 . 1 . . . . . 315 GLY CA . 52392 1 517 . 1 . 1 91 91 GLY N N 15 105.901 0.3 . 1 . . . . . 315 GLY N . 52392 1 518 . 1 . 1 92 92 ASP H H 1 8.101 0.02 . 1 . . . . . 316 ASP H . 52392 1 519 . 1 . 1 92 92 ASP HA H 1 4.629 0.02 . 1 . . . . . 316 ASP HA . 52392 1 520 . 1 . 1 92 92 ASP C C 13 174.892 0.3 . 1 . . . . . 316 ASP C . 52392 1 521 . 1 . 1 92 92 ASP CA C 13 54.836 0.3 . 1 . . . . . 316 ASP CA . 52392 1 522 . 1 . 1 92 92 ASP CB C 13 41.294 0.3 . 1 . . . . . 316 ASP CB . 52392 1 523 . 1 . 1 92 92 ASP N N 15 119.593 0.3 . 1 . . . . . 316 ASP N . 52392 1 524 . 1 . 1 93 93 VAL H H 1 7.957 0.02 . 1 . . . . . 317 VAL H . 52392 1 525 . 1 . 1 93 93 VAL HA H 1 5.35 0.02 . 1 . . . . . 317 VAL HA . 52392 1 526 . 1 . 1 93 93 VAL C C 13 176.998 0.3 . 1 . . . . . 317 VAL C . 52392 1 527 . 1 . 1 93 93 VAL CA C 13 58.768 0.3 . 1 . . . . . 317 VAL CA . 52392 1 528 . 1 . 1 93 93 VAL CB C 13 36.643 0.3 . 1 . . . . . 317 VAL CB . 52392 1 529 . 1 . 1 93 93 VAL N N 15 111.963 0.3 . 1 . . . . . 317 VAL N . 52392 1 530 . 1 . 1 94 94 SER H H 1 8.421 0.02 . 1 . . . . . 318 SER H . 52392 1 531 . 1 . 1 94 94 SER HA H 1 5.262 0.02 . 1 . . . . . 318 SER HA . 52392 1 532 . 1 . 1 94 94 SER C C 13 174.366 0.3 . 1 . . . . . 318 SER C . 52392 1 533 . 1 . 1 94 94 SER CA C 13 57.264 0.3 . 1 . . . . . 318 SER CA . 52392 1 534 . 1 . 1 94 94 SER CB C 13 66.472 0.3 . 1 . . . . . 318 SER CB . 52392 1 535 . 1 . 1 94 94 SER N N 15 116.106 0.3 . 1 . . . . . 318 SER N . 52392 1 536 . 1 . 1 95 95 ASP H H 1 8.9 0.02 . 1 . . . . . 319 ASP H . 52392 1 537 . 1 . 1 95 95 ASP HA H 1 4.743 0.02 . 9 . . . . . 319 ASP HA . 52392 1 538 . 1 . 1 95 95 ASP C C 13 178.05 0.3 . 1 . . . . . 319 ASP C . 52392 1 539 . 1 . 1 95 95 ASP CA C 13 55.008 0.3 . 1 . . . . . 319 ASP CA . 52392 1 540 . 1 . 1 95 95 ASP CB C 13 40.076 0.3 . 1 . . . . . 319 ASP CB . 52392 1 541 . 1 . 1 95 95 ASP N N 15 118.173 0.3 . 1 . . . . . 319 ASP N . 52392 1 542 . 1 . 1 96 96 SER H H 1 8.938 0.02 . 1 . . . . . 320 SER H . 52392 1 543 . 1 . 1 96 96 SER HA H 1 4.02 0.02 . 1 . . . . . 320 SER HA . 52392 1 544 . 1 . 1 96 96 SER C C 13 174.366 0.3 . 1 . . . . . 320 SER C . 52392 1 545 . 1 . 1 96 96 SER CA C 13 58.768 0.3 . 1 . . . . . 320 SER CA . 52392 1 546 . 1 . 1 96 96 SER CB C 13 64.751 0.3 . 1 . . . . . 320 SER CB . 52392 1 547 . 1 . 1 96 96 SER N N 15 120.191 0.3 . 1 . . . . . 320 SER N . 52392 1 548 . 1 . 1 97 97 LYS H H 1 9.045 0.02 . 1 . . . . . 321 LYS H . 52392 1 549 . 1 . 1 97 97 LYS HA H 1 4.863 0.02 . 1 . . . . . 321 LYS HA . 52392 1 550 . 1 . 1 97 97 LYS C C 13 174.892 0.3 . 1 . . . . . 321 LYS C . 52392 1 551 . 1 . 1 97 97 LYS CA C 13 52.771 0.3 . 1 . . . . . 321 LYS CA . 52392 1 552 . 1 . 1 97 97 LYS CB C 13 34.432 0.3 . 1 . . . . . 321 LYS CB . 52392 1 553 . 1 . 1 97 97 LYS N N 15 122.155 0.3 . 1 . . . . . 321 LYS N . 52392 1 554 . 1 . 1 98 98 GLN H H 1 7.965 0.02 . 1 . . . . . 322 GLN H . 52392 1 555 . 1 . 1 98 98 GLN HA H 1 4.973 0.02 . 1 . . . . . 322 GLN HA . 52392 1 556 . 1 . 1 98 98 GLN C C 13 174.366 0.3 . 1 . . . . . 322 GLN C . 52392 1 557 . 1 . 1 98 98 GLN CA C 13 55.384 0.3 . 1 . . . . . 322 GLN CA . 52392 1 558 . 1 . 1 98 98 GLN CB C 13 31.446 0.3 . 1 . . . . . 322 GLN CB . 52392 1 559 . 1 . 1 98 98 GLN N N 15 117.877 0.3 . 1 . . . . . 322 GLN N . 52392 1 560 . 1 . 1 99 99 PHE H H 1 8.443 0.02 . 1 . . . . . 323 PHE H . 52392 1 561 . 1 . 1 99 99 PHE HA H 1 4.519 0.02 . 9 . . . . . 323 PHE HA . 52392 1 562 . 1 . 1 99 99 PHE C C 13 173.313 0.3 . 1 . . . . . 323 PHE C . 52392 1 563 . 1 . 1 99 99 PHE CA C 13 56.512 0.3 . 1 . . . . . 323 PHE CA . 52392 1 564 . 1 . 1 99 99 PHE CB C 13 43.622 0.3 . 1 . . . . . 323 PHE CB . 52392 1 565 . 1 . 1 99 99 PHE N N 15 122.391 0.3 . 1 . . . . . 323 PHE N . 52392 1 566 . 1 . 1 100 100 THR H H 1 7.761 0.02 . 1 . . . . . 324 THR H . 52392 1 567 . 1 . 1 100 100 THR HA H 1 4.911 0.02 . 1 . . . . . 324 THR HA . 52392 1 568 . 1 . 1 100 100 THR C C 13 171.752 0.3 . 1 . . . . . 324 THR C . 52392 1 569 . 1 . 1 100 100 THR CA C 13 61.757 0.3 . 1 . . . . . 324 THR CA . 52392 1 570 . 1 . 1 100 100 THR CB C 13 70.157 0.3 . 1 . . . . . 324 THR CB . 52392 1 571 . 1 . 1 100 100 THR N N 15 124.631 0.3 . 1 . . . . . 324 THR N . 52392 1 572 . 1 . 1 101 101 TYR H H 1 8.918 0.02 . 1 . . . . . 325 TYR H . 52392 1 573 . 1 . 1 101 101 TYR HA H 1 5.081 0.02 . 1 . . . . . 325 TYR HA . 52392 1 574 . 1 . 1 101 101 TYR C C 13 175.489 0.3 . 1 . . . . . 325 TYR C . 52392 1 575 . 1 . 1 101 101 TYR CA C 13 56.888 0.3 . 1 . . . . . 325 TYR CA . 52392 1 576 . 1 . 1 101 101 TYR CB C 13 40.226 0.3 . 1 . . . . . 325 TYR CB . 52392 1 577 . 1 . 1 101 101 TYR N N 15 125.275 0.3 . 1 . . . . . 325 TYR N . 52392 1 578 . 1 . 1 102 102 TYR H H 1 8.7 0.02 . 1 . . . . . 326 TYR H . 52392 1 579 . 1 . 1 102 102 TYR HA H 1 4.729 0.02 . 1 . . . . . 326 TYR HA . 52392 1 580 . 1 . 1 102 102 TYR CA C 13 54.35 0.3 . 1 . . . . . 326 TYR CA . 52392 1 581 . 1 . 1 102 102 TYR CB C 13 38.575 0.3 . 1 . . . . . 326 TYR CB . 52392 1 582 . 1 . 1 102 102 TYR N N 15 119.144 0.3 . 1 . . . . . 326 TYR N . 52392 1 583 . 1 . 1 103 103 PRO HA H 1 4.338 0.02 . 9 . . . . . 327 PRO HA . 52392 1 584 . 1 . 1 103 103 PRO C C 13 175.682 0.3 . 1 . . . . . 327 PRO C . 52392 1 585 . 1 . 1 103 103 PRO CA C 13 62.132 0.3 . 1 . . . . . 327 PRO CA . 52392 1 586 . 1 . 1 103 103 PRO CB C 13 32.145 0.3 . 1 . . . . . 327 PRO CB . 52392 1 587 . 1 . 1 104 104 LEU H H 1 8.045 0.02 . 1 . . . . . 328 LEU H . 52392 1 588 . 1 . 1 104 104 LEU HA H 1 4.125 0.02 . 1 . . . . . 328 LEU HA . 52392 1 589 . 1 . 1 104 104 LEU CA C 13 56.907 0.3 . 1 . . . . . 328 LEU CA . 52392 1 590 . 1 . 1 104 104 LEU CB C 13 42.747 0.3 . 1 . . . . . 328 LEU CB . 52392 1 591 . 1 . 1 104 104 LEU N N 15 126.257 0.3 . 1 . . . . . 328 LEU N . 52392 1 stop_ save_