data_50079 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50079 _Entry.Title ; 1H, 15N, 13C assignment of BRCA2 190-284 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-10-23 _Entry.Accession_date 2019-10-23 _Entry.Last_release_date 2019-10-23 _Entry.Original_release_date 2019-10-23 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Manon Julien . H.F. . . 50079 2 Simona Miron . . . . 50079 3 Aura Carreira . . . . 50079 4 Francois-Xavier Theillet . . . . 50079 5 Sophie Zinn-Justin . . . . 50079 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'CEA Saclay, I2BC, University Paris XI, Gif-sur-Yvette, France' . 50079 2 . 'Institut Curie, Orsay, France' . 50079 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50079 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 269 50079 '15N chemical shifts' 88 50079 '1H chemical shifts' 86 50079 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 . . 2020-04-21 2019-10-23 update BMRB 'update entry citation' 50079 1 . . 2019-10-29 2019-10-23 original author 'original release' 50079 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50077 'BRCA2 48-218(C4A)' 50079 BMRB 50078 'BRCA2 53-131' 50079 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50079 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31900740 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N backbone resonance assignment of the human BRCA2 N-terminal region ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 79 _Citation.Page_last 85 _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 Manon Julien . . . . 50079 1 2 Simona Miron . . . . 50079 1 3 Aura Carreira . . . . 50079 1 4 Francois-Xavier Theillet . . . . 50079 1 5 Sophie Zinn-Justin . . . . 50079 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID BRCA2 50079 1 NMR 50079 1 'breast cancer' 50079 1 'intrinsically disordered protein' 50079 1 mitosis 50079 1 phosphorylation 50079 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50079 _Assembly.ID 1 _Assembly.Name 'BRCA2 190-284' _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 'BRCA2 190-284' 1 $entity_1 . . yes native no no . . . 50079 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50079 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPDMSWSSSLATPPTLSSTV LIVRNEEASETVFPHDTTAN VKSYFSNHDESLKKNDRFIA SVTDSENTNQREAASHGFGK TSGNSFKVNSCKDHIG ; _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 96 _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_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P51587 . . . . . . . . . . . . . . . . 50079 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 189 GLY . 50079 1 2 190 PRO . 50079 1 3 191 ASP . 50079 1 4 192 MET . 50079 1 5 193 SER . 50079 1 6 194 TRP . 50079 1 7 195 SER . 50079 1 8 196 SER . 50079 1 9 197 SER . 50079 1 10 198 LEU . 50079 1 11 199 ALA . 50079 1 12 200 THR . 50079 1 13 201 PRO . 50079 1 14 202 PRO . 50079 1 15 203 THR . 50079 1 16 204 LEU . 50079 1 17 205 SER . 50079 1 18 206 SER . 50079 1 19 207 THR . 50079 1 20 208 VAL . 50079 1 21 209 LEU . 50079 1 22 210 ILE . 50079 1 23 211 VAL . 50079 1 24 212 ARG . 50079 1 25 213 ASN . 50079 1 26 214 GLU . 50079 1 27 215 GLU . 50079 1 28 216 ALA . 50079 1 29 217 SER . 50079 1 30 218 GLU . 50079 1 31 219 THR . 50079 1 32 220 VAL . 50079 1 33 221 PHE . 50079 1 34 222 PRO . 50079 1 35 223 HIS . 50079 1 36 224 ASP . 50079 1 37 225 THR . 50079 1 38 226 THR . 50079 1 39 227 ALA . 50079 1 40 228 ASN . 50079 1 41 229 VAL . 50079 1 42 230 LYS . 50079 1 43 231 SER . 50079 1 44 232 TYR . 50079 1 45 233 PHE . 50079 1 46 234 SER . 50079 1 47 235 ASN . 50079 1 48 236 HIS . 50079 1 49 237 ASP . 50079 1 50 238 GLU . 50079 1 51 239 SER . 50079 1 52 240 LEU . 50079 1 53 241 LYS . 50079 1 54 242 LYS . 50079 1 55 243 ASN . 50079 1 56 244 ASP . 50079 1 57 245 ARG . 50079 1 58 246 PHE . 50079 1 59 247 ILE . 50079 1 60 248 ALA . 50079 1 61 249 SER . 50079 1 62 250 VAL . 50079 1 63 251 THR . 50079 1 64 252 ASP . 50079 1 65 253 SER . 50079 1 66 254 GLU . 50079 1 67 255 ASN . 50079 1 68 256 THR . 50079 1 69 257 ASN . 50079 1 70 258 GLN . 50079 1 71 259 ARG . 50079 1 72 260 GLU . 50079 1 73 261 ALA . 50079 1 74 262 ALA . 50079 1 75 263 SER . 50079 1 76 264 HIS . 50079 1 77 265 GLY . 50079 1 78 266 PHE . 50079 1 79 267 GLY . 50079 1 80 268 LYS . 50079 1 81 269 THR . 50079 1 82 270 SER . 50079 1 83 271 GLY . 50079 1 84 272 ASN . 50079 1 85 273 SER . 50079 1 86 274 PHE . 50079 1 87 275 LYS . 50079 1 88 276 VAL . 50079 1 89 277 ASN . 50079 1 90 278 SER . 50079 1 91 279 CYS . 50079 1 92 280 LYS . 50079 1 93 281 ASP . 50079 1 94 282 HIS . 50079 1 95 283 ILE . 50079 1 96 284 GLY . 50079 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 50079 1 . PRO 2 2 50079 1 . ASP 3 3 50079 1 . MET 4 4 50079 1 . SER 5 5 50079 1 . TRP 6 6 50079 1 . SER 7 7 50079 1 . SER 8 8 50079 1 . SER 9 9 50079 1 . LEU 10 10 50079 1 . ALA 11 11 50079 1 . THR 12 12 50079 1 . PRO 13 13 50079 1 . PRO 14 14 50079 1 . THR 15 15 50079 1 . LEU 16 16 50079 1 . SER 17 17 50079 1 . SER 18 18 50079 1 . THR 19 19 50079 1 . VAL 20 20 50079 1 . LEU 21 21 50079 1 . ILE 22 22 50079 1 . VAL 23 23 50079 1 . ARG 24 24 50079 1 . ASN 25 25 50079 1 . GLU 26 26 50079 1 . GLU 27 27 50079 1 . ALA 28 28 50079 1 . SER 29 29 50079 1 . GLU 30 30 50079 1 . THR 31 31 50079 1 . VAL 32 32 50079 1 . PHE 33 33 50079 1 . PRO 34 34 50079 1 . HIS 35 35 50079 1 . ASP 36 36 50079 1 . THR 37 37 50079 1 . THR 38 38 50079 1 . ALA 39 39 50079 1 . ASN 40 40 50079 1 . VAL 41 41 50079 1 . LYS 42 42 50079 1 . SER 43 43 50079 1 . TYR 44 44 50079 1 . PHE 45 45 50079 1 . SER 46 46 50079 1 . ASN 47 47 50079 1 . HIS 48 48 50079 1 . ASP 49 49 50079 1 . GLU 50 50 50079 1 . SER 51 51 50079 1 . LEU 52 52 50079 1 . LYS 53 53 50079 1 . LYS 54 54 50079 1 . ASN 55 55 50079 1 . ASP 56 56 50079 1 . ARG 57 57 50079 1 . PHE 58 58 50079 1 . ILE 59 59 50079 1 . ALA 60 60 50079 1 . SER 61 61 50079 1 . VAL 62 62 50079 1 . THR 63 63 50079 1 . ASP 64 64 50079 1 . SER 65 65 50079 1 . GLU 66 66 50079 1 . ASN 67 67 50079 1 . THR 68 68 50079 1 . ASN 69 69 50079 1 . GLN 70 70 50079 1 . ARG 71 71 50079 1 . GLU 72 72 50079 1 . ALA 73 73 50079 1 . ALA 74 74 50079 1 . SER 75 75 50079 1 . HIS 76 76 50079 1 . GLY 77 77 50079 1 . PHE 78 78 50079 1 . GLY 79 79 50079 1 . LYS 80 80 50079 1 . THR 81 81 50079 1 . SER 82 82 50079 1 . GLY 83 83 50079 1 . ASN 84 84 50079 1 . SER 85 85 50079 1 . PHE 86 86 50079 1 . LYS 87 87 50079 1 . VAL 88 88 50079 1 . ASN 89 89 50079 1 . SER 90 90 50079 1 . CYS 91 91 50079 1 . LYS 92 92 50079 1 . ASP 93 93 50079 1 . HIS 94 94 50079 1 . ILE 95 95 50079 1 . GLY 96 96 50079 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 50079 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50079 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 50079 _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 BL21 . . plasmid . . pGEX-6P-1 . . . 50079 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50079 _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 'BRCA2 190-284' '[U-95% 13C; U-95% 15N]' . . 1 $entity_1 . . 0.4 . . mM . . . . 50079 1 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 50079 1 3 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 50079 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 50079 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 50079 1 6 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 50079 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 50079 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details '50 mM HEPES, 1 mM EDTA, 2 mM DTT, pH7.0, 10 % D2O, 50 uM DSS' 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' 0 . M 50079 1 pH 7.0 . pH 50079 1 pressure 1 . atm 50079 1 temperature 283 . K 50079 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50079 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 50079 1 CCPN . . 50079 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 50079 1 . collection 50079 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 50079 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details '600 MHz Bruker Advance II' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 50079 _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 . . . . . . . . . . . . . . . . 50079 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50079 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50079 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50079 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 50079 _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 DSS 'methyl protons' . . . . ppm 0.244 internal indirect . . . . . . 50079 1 H 1 DSS 'methyl protons' . . . . ppm 0.22 internal direct 1 . . . . . 50079 1 N 15 DSS 'methyl protons' . . . . ppm 0.244 internal indirect . . . . . . 50079 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 50079 _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' . . . 50079 1 2 '3D HNCO' . . . 50079 1 3 '3D HN(CO)CA' . . . 50079 1 4 '3D HNCACB' . . . 50079 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 PRO CA C 13 62.823 . . 1 . . . . . 190 P CA . 50079 1 2 . 1 . 1 2 2 PRO CB C 13 32.112 . . 1 . . . . . 190 P CB . 50079 1 3 . 1 . 1 3 3 ASP H H 1 8.339 . . 1 . . . . . 191 D HN . 50079 1 4 . 1 . 1 3 3 ASP C C 13 176.556 . . 1 . . . . . 191 D C . 50079 1 5 . 1 . 1 3 3 ASP CA C 13 54.878 . . 1 . . . . . 191 D CA . 50079 1 6 . 1 . 1 3 3 ASP CB C 13 40.709 . . 1 . . . . . 191 D CB . 50079 1 7 . 1 . 1 3 3 ASP N N 15 120.559 . . 1 . . . . . 191 D N . 50079 1 8 . 1 . 1 4 4 MET H H 1 8.308 . . 1 . . . . . 192 M HN . 50079 1 9 . 1 . 1 4 4 MET C C 13 176.558 . . 1 . . . . . 192 M C . 50079 1 10 . 1 . 1 4 4 MET CA C 13 59.033 . . 1 . . . . . 192 M CA . 50079 1 11 . 1 . 1 4 4 MET CB C 13 31.899 . . 1 . . . . . 192 M CB . 50079 1 12 . 1 . 1 4 4 MET N N 15 122.130 . . 1 . . . . . 192 M N . 50079 1 13 . 1 . 1 5 5 SER H H 1 8.248 . . 1 . . . . . 193 S HN . 50079 1 14 . 1 . 1 5 5 SER C C 13 174.351 . . 1 . . . . . 193 S C . 50079 1 15 . 1 . 1 5 5 SER CA C 13 57.453 . . 1 . . . . . 193 S CA . 50079 1 16 . 1 . 1 5 5 SER CB C 13 63.424 . . 1 . . . . . 193 S CB . 50079 1 17 . 1 . 1 5 5 SER N N 15 117.151 . . 1 . . . . . 193 S N . 50079 1 18 . 1 . 1 6 6 TRP H H 1 7.898 . . 1 . . . . . 194 W HN . 50079 1 19 . 1 . 1 6 6 TRP C C 13 176.222 . . 1 . . . . . 194 W C . 50079 1 20 . 1 . 1 6 6 TRP CA C 13 59.053 . . 1 . . . . . 194 W CA . 50079 1 21 . 1 . 1 6 6 TRP CB C 13 29.123 . . 1 . . . . . 194 W CB . 50079 1 22 . 1 . 1 6 6 TRP N N 15 122.539 . . 1 . . . . . 194 W N . 50079 1 23 . 1 . 1 7 7 SER H H 1 7.656 . . 1 . . . . . 195 S HN . 50079 1 24 . 1 . 1 7 7 SER C C 13 174.308 . . 1 . . . . . 195 S C . 50079 1 25 . 1 . 1 7 7 SER CA C 13 58.502 . . 1 . . . . . 195 S CA . 50079 1 26 . 1 . 1 7 7 SER CB C 13 63.511 . . 1 . . . . . 195 S CB . 50079 1 27 . 1 . 1 7 7 SER N N 15 116.939 . . 1 . . . . . 195 S N . 50079 1 28 . 1 . 1 8 8 SER H H 1 8.000 . . 1 . . . . . 196 S HN . 50079 1 29 . 1 . 1 8 8 SER C C 13 174.626 . . 1 . . . . . 196 S C . 50079 1 30 . 1 . 1 8 8 SER CA C 13 58.510 . . 1 . . . . . 196 S CA . 50079 1 31 . 1 . 1 8 8 SER CB C 13 63.469 . . 1 . . . . . 196 S CB . 50079 1 32 . 1 . 1 8 8 SER N N 15 117.693 . . 1 . . . . . 196 S N . 50079 1 33 . 1 . 1 9 9 SER H H 1 8.062 . . 1 . . . . . 197 S HN . 50079 1 34 . 1 . 1 9 9 SER C C 13 174.273 . . 1 . . . . . 197 S C . 50079 1 35 . 1 . 1 9 9 SER CA C 13 58.550 . . 1 . . . . . 197 S CA . 50079 1 36 . 1 . 1 9 9 SER CB C 13 63.471 . . 1 . . . . . 197 S CB . 50079 1 37 . 1 . 1 9 9 SER N N 15 117.526 . . 1 . . . . . 197 S N . 50079 1 38 . 1 . 1 10 10 LEU H H 1 7.873 . . 1 . . . . . 198 L HN . 50079 1 39 . 1 . 1 10 10 LEU C C 13 176.835 . . 1 . . . . . 198 L C . 50079 1 40 . 1 . 1 10 10 LEU CA C 13 54.907 . . 1 . . . . . 198 L CA . 50079 1 41 . 1 . 1 10 10 LEU CB C 13 42.071 . . 1 . . . . . 198 L CB . 50079 1 42 . 1 . 1 10 10 LEU N N 15 123.389 . . 1 . . . . . 198 L N . 50079 1 43 . 1 . 1 11 11 ALA H H 1 8.006 . . 1 . . . . . 199 A HN . 50079 1 44 . 1 . 1 11 11 ALA C C 13 177.355 . . 1 . . . . . 199 A C . 50079 1 45 . 1 . 1 11 11 ALA CA C 13 52.207 . . 1 . . . . . 199 A CA . 50079 1 46 . 1 . 1 11 11 ALA CB C 13 19.068 . . 1 . . . . . 199 A CB . 50079 1 47 . 1 . 1 11 11 ALA N N 15 124.424 . . 1 . . . . . 199 A N . 50079 1 48 . 1 . 1 12 12 THR H H 1 7.957 . . 1 . . . . . 200 T HN . 50079 1 49 . 1 . 1 12 12 THR C C 13 172.166 . . 1 . . . . . 200 T C . 50079 1 50 . 1 . 1 12 12 THR CA C 13 59.634 . . 1 . . . . . 200 T CA . 50079 1 51 . 1 . 1 12 12 THR CB C 13 69.583 . . 1 . . . . . 200 T CB . 50079 1 52 . 1 . 1 12 12 THR N N 15 116.381 . . 1 . . . . . 200 T N . 50079 1 53 . 1 . 1 14 14 PRO C C 13 176.776 . . 1 . . . . . 202 P C . 50079 1 54 . 1 . 1 14 14 PRO CA C 13 62.810 . . 1 . . . . . 202 P CA . 50079 1 55 . 1 . 1 14 14 PRO CB C 13 31.863 . . 1 . . . . . 202 P CB . 50079 1 56 . 1 . 1 15 15 THR H H 1 8.095 . . 1 . . . . . 203 T HN . 50079 1 57 . 1 . 1 15 15 THR C C 13 174.434 . . 1 . . . . . 203 T C . 50079 1 58 . 1 . 1 15 15 THR CA C 13 61.676 . . 1 . . . . . 203 T CA . 50079 1 59 . 1 . 1 15 15 THR CB C 13 69.653 . . 1 . . . . . 203 T CB . 50079 1 60 . 1 . 1 15 15 THR N N 15 114.833 . . 1 . . . . . 203 T N . 50079 1 61 . 1 . 1 16 16 LEU H H 1 8.217 . . 1 . . . . . 204 L HN . 50079 1 62 . 1 . 1 16 16 LEU C C 13 177.229 . . 1 . . . . . 204 L C . 50079 1 63 . 1 . 1 16 16 LEU CA C 13 54.919 . . 1 . . . . . 204 L CA . 50079 1 64 . 1 . 1 16 16 LEU CB C 13 42.171 . . 1 . . . . . 204 L CB . 50079 1 65 . 1 . 1 16 16 LEU N N 15 125.147 . . 1 . . . . . 204 L N . 50079 1 66 . 1 . 1 17 17 SER H H 1 8.218 . . 1 . . . . . 205 S HN . 50079 1 67 . 1 . 1 17 17 SER C C 13 174.462 . . 1 . . . . . 205 S C . 50079 1 68 . 1 . 1 17 17 SER CA C 13 58.236 . . 1 . . . . . 205 S CA . 50079 1 69 . 1 . 1 17 17 SER CB C 13 63.564 . . 1 . . . . . 205 S CB . 50079 1 70 . 1 . 1 17 17 SER N N 15 116.826 . . 1 . . . . . 205 S N . 50079 1 71 . 1 . 1 18 18 SER H H 1 8.199 . . 1 . . . . . 206 S HN . 50079 1 72 . 1 . 1 18 18 SER C C 13 174.577 . . 1 . . . . . 206 S C . 50079 1 73 . 1 . 1 18 18 SER CA C 13 58.073 . . 1 . . . . . 206 S CA . 50079 1 74 . 1 . 1 18 18 SER CB C 13 63.614 . . 1 . . . . . 206 S CB . 50079 1 75 . 1 . 1 18 18 SER N N 15 117.679 . . 1 . . . . . 206 S N . 50079 1 76 . 1 . 1 19 19 THR H H 1 8.035 . . 1 . . . . . 207 T HN . 50079 1 77 . 1 . 1 19 19 THR C C 13 174.171 . . 1 . . . . . 207 T C . 50079 1 78 . 1 . 1 19 19 THR CA C 13 62.108 . . 1 . . . . . 207 T CA . 50079 1 79 . 1 . 1 19 19 THR CB C 13 69.436 . . 1 . . . . . 207 T CB . 50079 1 80 . 1 . 1 19 19 THR N N 15 116.475 . . 1 . . . . . 207 T N . 50079 1 81 . 1 . 1 20 20 VAL H H 1 7.917 . . 1 . . . . . 208 V HN . 50079 1 82 . 1 . 1 20 20 VAL C C 13 175.479 . . 1 . . . . . 208 V C . 50079 1 83 . 1 . 1 20 20 VAL CA C 13 62.175 . . 1 . . . . . 208 V CA . 50079 1 84 . 1 . 1 20 20 VAL CB C 13 32.475 . . 1 . . . . . 208 V CB . 50079 1 85 . 1 . 1 20 20 VAL N N 15 123.286 . . 1 . . . . . 208 V N . 50079 1 86 . 1 . 1 21 21 LEU H H 1 8.145 . . 1 . . . . . 209 L HN . 50079 1 87 . 1 . 1 21 21 LEU C C 13 176.522 . . 1 . . . . . 209 L C . 50079 1 88 . 1 . 1 21 21 LEU CA C 13 54.750 . . 1 . . . . . 209 L CA . 50079 1 89 . 1 . 1 21 21 LEU CB C 13 42.154 . . 1 . . . . . 209 L CB . 50079 1 90 . 1 . 1 21 21 LEU N N 15 126.827 . . 1 . . . . . 209 L N . 50079 1 91 . 1 . 1 22 22 ILE H H 1 8.049 . . 1 . . . . . 210 I HN . 50079 1 92 . 1 . 1 22 22 ILE C C 13 175.748 . . 1 . . . . . 210 I C . 50079 1 93 . 1 . 1 22 22 ILE CA C 13 60.554 . . 1 . . . . . 210 I CA . 50079 1 94 . 1 . 1 22 22 ILE CB C 13 38.302 . . 1 . . . . . 210 I CB . 50079 1 95 . 1 . 1 22 22 ILE N N 15 123.958 . . 1 . . . . . 210 I N . 50079 1 96 . 1 . 1 23 23 VAL H H 1 8.186 . . 1 . . . . . 211 V HN . 50079 1 97 . 1 . 1 23 23 VAL C C 13 175.624 . . 1 . . . . . 211 V C . 50079 1 98 . 1 . 1 23 23 VAL CA C 13 62.096 . . 1 . . . . . 211 V CA . 50079 1 99 . 1 . 1 23 23 VAL CB C 13 32.536 . . 1 . . . . . 211 V CB . 50079 1 100 . 1 . 1 23 23 VAL N N 15 126.451 . . 1 . . . . . 211 V N . 50079 1 101 . 1 . 1 24 24 ARG H H 1 8.371 . . 1 . . . . . 212 R HN . 50079 1 102 . 1 . 1 24 24 ARG C C 13 175.532 . . 1 . . . . . 212 R C . 50079 1 103 . 1 . 1 24 24 ARG CA C 13 55.592 . . 1 . . . . . 212 R CA . 50079 1 104 . 1 . 1 24 24 ARG CB C 13 30.810 . . 1 . . . . . 212 R CB . 50079 1 105 . 1 . 1 24 24 ARG N N 15 126.043 . . 1 . . . . . 212 R N . 50079 1 106 . 1 . 1 25 25 ASN H H 1 8.431 . . 1 . . . . . 213 N HN . 50079 1 107 . 1 . 1 25 25 ASN C C 13 175.092 . . 1 . . . . . 213 N C . 50079 1 108 . 1 . 1 25 25 ASN CA C 13 53.138 . . 1 . . . . . 213 N CA . 50079 1 109 . 1 . 1 25 25 ASN CB C 13 38.686 . . 1 . . . . . 213 N CB . 50079 1 110 . 1 . 1 25 25 ASN N N 15 121.160 . . 1 . . . . . 213 N N . 50079 1 111 . 1 . 1 26 26 GLU H H 1 8.455 . . 1 . . . . . 214 E HN . 50079 1 112 . 1 . 1 26 26 GLU C C 13 176.330 . . 1 . . . . . 214 E C . 50079 1 113 . 1 . 1 26 26 GLU CA C 13 56.604 . . 1 . . . . . 214 E CA . 50079 1 114 . 1 . 1 26 26 GLU CB C 13 29.892 . . 1 . . . . . 214 E CB . 50079 1 115 . 1 . 1 26 26 GLU N N 15 121.756 . . 1 . . . . . 214 E N . 50079 1 116 . 1 . 1 27 27 GLU H H 1 8.248 . . 1 . . . . . 215 E HN . 50079 1 117 . 1 . 1 27 27 GLU C C 13 176.185 . . 1 . . . . . 215 E C . 50079 1 118 . 1 . 1 27 27 GLU CA C 13 56.404 . . 1 . . . . . 215 E CA . 50079 1 119 . 1 . 1 27 27 GLU CB C 13 29.981 . . 1 . . . . . 215 E CB . 50079 1 120 . 1 . 1 27 27 GLU N N 15 121.550 . . 1 . . . . . 215 E N . 50079 1 121 . 1 . 1 28 28 ALA H H 1 8.169 . . 1 . . . . . 216 A HN . 50079 1 122 . 1 . 1 28 28 ALA C C 13 177.615 . . 1 . . . . . 216 A C . 50079 1 123 . 1 . 1 28 28 ALA CA C 13 52.372 . . 1 . . . . . 216 A CA . 50079 1 124 . 1 . 1 28 28 ALA CB C 13 18.948 . . 1 . . . . . 216 A CB . 50079 1 125 . 1 . 1 28 28 ALA N N 15 125.053 . . 1 . . . . . 216 A N . 50079 1 126 . 1 . 1 29 29 SER H H 1 8.148 . . 1 . . . . . 217 S HN . 50079 1 127 . 1 . 1 29 29 SER CA C 13 58.321 . . 1 . . . . . 217 S CA . 50079 1 128 . 1 . 1 29 29 SER CB C 13 63.630 . . 1 . . . . . 217 S CB . 50079 1 129 . 1 . 1 29 29 SER N N 15 115.319 . . 1 . . . . . 217 S N . 50079 1 130 . 1 . 1 30 30 GLU H H 1 8.304 . . 1 . . . . . 218 E HN . 50079 1 131 . 1 . 1 30 30 GLU C C 13 176.301 . . 1 . . . . . 218 E C . 50079 1 132 . 1 . 1 30 30 GLU CA C 13 56.412 . . 1 . . . . . 218 E CA . 50079 1 133 . 1 . 1 30 30 GLU CB C 13 30.090 . . 1 . . . . . 218 E CB . 50079 1 134 . 1 . 1 30 30 GLU N N 15 122.521 . . 1 . . . . . 218 E N . 50079 1 135 . 1 . 1 31 31 THR H H 1 8.057 . . 1 . . . . . 219 T HN . 50079 1 136 . 1 . 1 31 31 THR C C 13 173.757 . . 1 . . . . . 219 T C . 50079 1 137 . 1 . 1 31 31 THR CA C 13 62.107 . . 1 . . . . . 219 T CA . 50079 1 138 . 1 . 1 31 31 THR CB C 13 69.409 . . 1 . . . . . 219 T CB . 50079 1 139 . 1 . 1 31 31 THR N N 15 116.174 . . 1 . . . . . 219 T N . 50079 1 140 . 1 . 1 32 32 VAL H H 1 7.916 . . 1 . . . . . 220 V HN . 50079 1 141 . 1 . 1 32 32 VAL C C 13 175.172 . . 1 . . . . . 220 V C . 50079 1 142 . 1 . 1 32 32 VAL CA C 13 62.006 . . 1 . . . . . 220 V CA . 50079 1 143 . 1 . 1 32 32 VAL CB C 13 32.560 . . 1 . . . . . 220 V CB . 50079 1 144 . 1 . 1 32 32 VAL N N 15 123.397 . . 1 . . . . . 220 V N . 50079 1 145 . 1 . 1 33 33 PHE H H 1 8.270 . . 1 . . . . . 221 F HN . 50079 1 146 . 1 . 1 33 33 PHE C C 13 173.601 . . 1 . . . . . 221 F C . 50079 1 147 . 1 . 1 33 33 PHE CA C 13 55.337 . . 1 . . . . . 221 F CA . 50079 1 148 . 1 . 1 33 33 PHE CB C 13 38.818 . . 1 . . . . . 221 F CB . 50079 1 149 . 1 . 1 33 33 PHE N N 15 125.409 . . 1 . . . . . 221 F N . 50079 1 150 . 1 . 1 35 35 HIS H H 1 8.176 . . 1 . . . . . 223 H HN . 50079 1 151 . 1 . 1 35 35 HIS C C 13 176.347 . . 1 . . . . . 223 H C . 50079 1 152 . 1 . 1 35 35 HIS CA C 13 56.458 . . 1 . . . . . 223 H CA . 50079 1 153 . 1 . 1 35 35 HIS CB C 13 29.952 . . 1 . . . . . 223 H CB . 50079 1 154 . 1 . 1 35 35 HIS N N 15 119.036 . . 1 . . . . . 223 H N . 50079 1 155 . 1 . 1 36 36 ASP H H 1 8.250 . . 1 . . . . . 224 D HN . 50079 1 156 . 1 . 1 36 36 ASP C C 13 176.514 . . 1 . . . . . 224 D C . 50079 1 157 . 1 . 1 36 36 ASP CA C 13 54.039 . . 1 . . . . . 224 D CA . 50079 1 158 . 1 . 1 36 36 ASP CB C 13 41.011 . . 1 . . . . . 224 D CB . 50079 1 159 . 1 . 1 36 36 ASP N N 15 121.560 . . 1 . . . . . 224 D N . 50079 1 160 . 1 . 1 37 37 THR H H 1 8.166 . . 1 . . . . . 225 T HN . 50079 1 161 . 1 . 1 37 37 THR C C 13 174.978 . . 1 . . . . . 225 T C . 50079 1 162 . 1 . 1 37 37 THR CA C 13 61.969 . . 1 . . . . . 225 T CA . 50079 1 163 . 1 . 1 37 37 THR CB C 13 69.380 . . 1 . . . . . 225 T CB . 50079 1 164 . 1 . 1 37 37 THR N N 15 114.893 . . 1 . . . . . 225 T N . 50079 1 165 . 1 . 1 38 38 THR H H 1 8.103 . . 1 . . . . . 226 T HN . 50079 1 166 . 1 . 1 38 38 THR C C 13 174.435 . . 1 . . . . . 226 T C . 50079 1 167 . 1 . 1 38 38 THR CA C 13 62.347 . . 1 . . . . . 226 T CA . 50079 1 168 . 1 . 1 38 38 THR CB C 13 69.404 . . 1 . . . . . 226 T CB . 50079 1 169 . 1 . 1 38 38 THR N N 15 115.896 . . 1 . . . . . 226 T N . 50079 1 170 . 1 . 1 39 39 ALA H H 1 8.019 . . 1 . . . . . 227 A HN . 50079 1 171 . 1 . 1 39 39 ALA C C 13 177.253 . . 1 . . . . . 227 A C . 50079 1 172 . 1 . 1 39 39 ALA CA C 13 52.567 . . 1 . . . . . 227 A CA . 50079 1 173 . 1 . 1 39 39 ALA CB C 13 18.957 . . 1 . . . . . 227 A CB . 50079 1 174 . 1 . 1 39 39 ALA N N 15 125.587 . . 1 . . . . . 227 A N . 50079 1 175 . 1 . 1 40 40 ASN H H 1 8.171 . . 1 . . . . . 228 N HN . 50079 1 176 . 1 . 1 40 40 ASN C C 13 175.086 . . 1 . . . . . 228 N C . 50079 1 177 . 1 . 1 40 40 ASN CA C 13 53.090 . . 1 . . . . . 228 N CA . 50079 1 178 . 1 . 1 40 40 ASN CB C 13 38.482 . . 1 . . . . . 228 N CB . 50079 1 179 . 1 . 1 40 40 ASN N N 15 117.830 . . 1 . . . . . 228 N N . 50079 1 180 . 1 . 1 41 41 VAL H H 1 7.872 . . 1 . . . . . 229 V HN . 50079 1 181 . 1 . 1 41 41 VAL C C 13 176.065 . . 1 . . . . . 229 V C . 50079 1 182 . 1 . 1 41 41 VAL CA C 13 62.468 . . 1 . . . . . 229 V CA . 50079 1 183 . 1 . 1 41 41 VAL CB C 13 32.387 . . 1 . . . . . 229 V CB . 50079 1 184 . 1 . 1 41 41 VAL N N 15 120.428 . . 1 . . . . . 229 V N . 50079 1 185 . 1 . 1 42 42 LYS C C 13 174.581 . . 1 . . . . . 230 K C . 50079 1 186 . 1 . 1 42 42 LYS CB C 13 32.822 . . 1 . . . . . 230 K CB . 50079 1 187 . 1 . 1 43 43 SER H H 1 8.046 . . 1 . . . . . 231 S HN . 50079 1 188 . 1 . 1 43 43 SER C C 13 173.858 . . 1 . . . . . 231 S C . 50079 1 189 . 1 . 1 43 43 SER CA C 13 58.088 . . 1 . . . . . 231 S CA . 50079 1 190 . 1 . 1 43 43 SER CB C 13 63.689 . . 1 . . . . . 231 S CB . 50079 1 191 . 1 . 1 43 43 SER N N 15 116.621 . . 1 . . . . . 231 S N . 50079 1 192 . 1 . 1 44 44 TYR H H 1 7.976 . . 1 . . . . . 232 Y HN . 50079 1 193 . 1 . 1 44 44 TYR C C 13 175.242 . . 1 . . . . . 232 Y C . 50079 1 194 . 1 . 1 44 44 TYR N N 15 122.089 . . 1 . . . . . 232 Y N . 50079 1 195 . 1 . 1 45 45 PHE H H 1 7.944 . . 1 . . . . . 233 F HN . 50079 1 196 . 1 . 1 45 45 PHE C C 13 175.261 . . 1 . . . . . 233 F C . 50079 1 197 . 1 . 1 45 45 PHE CA C 13 57.607 . . 1 . . . . . 233 F CA . 50079 1 198 . 1 . 1 45 45 PHE CB C 13 39.608 . . 1 . . . . . 233 F CB . 50079 1 199 . 1 . 1 45 45 PHE N N 15 121.202 . . 1 . . . . . 233 F N . 50079 1 200 . 1 . 1 46 46 SER H H 1 8.021 . . 1 . . . . . 234 S HN . 50079 1 201 . 1 . 1 46 46 SER C C 13 173.888 . . 1 . . . . . 234 S C . 50079 1 202 . 1 . 1 46 46 SER CA C 13 58.037 . . 1 . . . . . 234 S CA . 50079 1 203 . 1 . 1 46 46 SER CB C 13 63.688 . . 1 . . . . . 234 S CB . 50079 1 204 . 1 . 1 46 46 SER N N 15 117.115 . . 1 . . . . . 234 S N . 50079 1 205 . 1 . 1 47 47 ASN H H 1 8.202 . . 1 . . . . . 235 N HN . 50079 1 206 . 1 . 1 47 47 ASN C C 13 174.985 . . 1 . . . . . 235 N C . 50079 1 207 . 1 . 1 47 47 ASN CA C 13 53.203 . . 1 . . . . . 235 N CA . 50079 1 208 . 1 . 1 47 47 ASN CB C 13 38.492 . . 1 . . . . . 235 N CB . 50079 1 209 . 1 . 1 47 47 ASN N N 15 120.476 . . 1 . . . . . 235 N N . 50079 1 210 . 1 . 1 48 48 HIS C C 13 174.395 . . 1 . . . . . 236 H C . 50079 1 211 . 1 . 1 48 48 HIS CA C 13 56.715 . . 1 . . . . . 236 H CA . 50079 1 212 . 1 . 1 48 48 HIS CB C 13 28.870 . . 1 . . . . . 236 H CB . 50079 1 213 . 1 . 1 49 49 ASP H H 1 8.117 . . 1 . . . . . 237 D HN . 50079 1 214 . 1 . 1 49 49 ASP C C 13 176.710 . . 1 . . . . . 237 D C . 50079 1 215 . 1 . 1 49 49 ASP CA C 13 54.446 . . 1 . . . . . 237 D CA . 50079 1 216 . 1 . 1 49 49 ASP CB C 13 40.728 . . 1 . . . . . 237 D CB . 50079 1 217 . 1 . 1 49 49 ASP N N 15 121.206 . . 1 . . . . . 237 D N . 50079 1 218 . 1 . 1 50 50 GLU H H 1 8.415 . . 1 . . . . . 238 E HN . 50079 1 219 . 1 . 1 50 50 GLU C C 13 177.017 . . 1 . . . . . 238 E C . 50079 1 220 . 1 . 1 50 50 GLU CA C 13 57.193 . . 1 . . . . . 238 E CA . 50079 1 221 . 1 . 1 50 50 GLU CB C 13 29.586 . . 1 . . . . . 238 E CB . 50079 1 222 . 1 . 1 50 50 GLU N N 15 122.511 . . 1 . . . . . 238 E N . 50079 1 223 . 1 . 1 51 51 SER H H 1 8.199 . . 1 . . . . . 239 S HN . 50079 1 224 . 1 . 1 51 51 SER C C 13 174.800 . . 1 . . . . . 239 S C . 50079 1 225 . 1 . 1 51 51 SER CA C 13 59.384 . . 1 . . . . . 239 S CA . 50079 1 226 . 1 . 1 51 51 SER CB C 13 63.285 . . 1 . . . . . 239 S CB . 50079 1 227 . 1 . 1 51 51 SER N N 15 116.074 . . 1 . . . . . 239 S N . 50079 1 228 . 1 . 1 52 52 LEU H H 1 7.741 . . 1 . . . . . 240 L HN . 50079 1 229 . 1 . 1 52 52 LEU C C 13 177.376 . . 1 . . . . . 240 L C . 50079 1 230 . 1 . 1 52 52 LEU CA C 13 55.311 . . 1 . . . . . 240 L CA . 50079 1 231 . 1 . 1 52 52 LEU CB C 13 41.837 . . 1 . . . . . 240 L CB . 50079 1 232 . 1 . 1 52 52 LEU N N 15 122.749 . . 1 . . . . . 240 L N . 50079 1 233 . 1 . 1 53 53 LYS H H 1 7.892 . . 1 . . . . . 241 K HN . 50079 1 234 . 1 . 1 53 53 LYS C C 13 176.539 . . 1 . . . . . 241 K C . 50079 1 235 . 1 . 1 53 53 LYS CA C 13 56.292 . . 1 . . . . . 241 K CA . 50079 1 236 . 1 . 1 53 53 LYS CB C 13 32.668 . . 1 . . . . . 241 K CB . 50079 1 237 . 1 . 1 53 53 LYS N N 15 121.198 . . 1 . . . . . 241 K N . 50079 1 238 . 1 . 1 54 54 LYS H H 1 8.068 . . 1 . . . . . 242 K HN . 50079 1 239 . 1 . 1 54 54 LYS C C 13 176.288 . . 1 . . . . . 242 K C . 50079 1 240 . 1 . 1 54 54 LYS CA C 13 56.291 . . 1 . . . . . 242 K CA . 50079 1 241 . 1 . 1 54 54 LYS CB C 13 32.742 . . 1 . . . . . 242 K CB . 50079 1 242 . 1 . 1 54 54 LYS N N 15 121.922 . . 1 . . . . . 242 K N . 50079 1 243 . 1 . 1 55 55 ASN H H 1 8.287 . . 1 . . . . . 243 N HN . 50079 1 244 . 1 . 1 55 55 ASN C C 13 174.843 . . 1 . . . . . 243 N C . 50079 1 245 . 1 . 1 55 55 ASN CA C 13 53.119 . . 1 . . . . . 243 N CA . 50079 1 246 . 1 . 1 55 55 ASN CB C 13 38.650 . . 1 . . . . . 243 N CB . 50079 1 247 . 1 . 1 55 55 ASN N N 15 119.647 . . 1 . . . . . 243 N N . 50079 1 248 . 1 . 1 56 56 ASP H H 1 8.111 . . 1 . . . . . 244 D HN . 50079 1 249 . 1 . 1 56 56 ASP C C 13 176.073 . . 1 . . . . . 244 D C . 50079 1 250 . 1 . 1 56 56 ASP CA C 13 54.452 . . 1 . . . . . 244 D CA . 50079 1 251 . 1 . 1 56 56 ASP CB C 13 40.850 . . 1 . . . . . 244 D CB . 50079 1 252 . 1 . 1 56 56 ASP N N 15 120.953 . . 1 . . . . . 244 D N . 50079 1 253 . 1 . 1 57 57 ARG H H 1 7.958 . . 1 . . . . . 245 R HN . 50079 1 254 . 1 . 1 57 57 ARG C C 13 175.786 . . 1 . . . . . 245 R C . 50079 1 255 . 1 . 1 57 57 ARG CA C 13 56.059 . . 1 . . . . . 245 R CA . 50079 1 256 . 1 . 1 57 57 ARG CB C 13 30.381 . . 1 . . . . . 245 R CB . 50079 1 257 . 1 . 1 57 57 ARG N N 15 120.166 . . 1 . . . . . 245 R N . 50079 1 258 . 1 . 1 58 58 PHE C C 13 175.255 . . 1 . . . . . 246 F C . 50079 1 259 . 1 . 1 58 58 PHE CA C 13 57.877 . . 1 . . . . . 246 F CA . 50079 1 260 . 1 . 1 58 58 PHE CB C 13 39.245 . . 1 . . . . . 246 F CB . 50079 1 261 . 1 . 1 58 58 PHE N N 15 121.267 . . 1 . . . . . 246 F N . 50079 1 262 . 1 . 1 59 59 ILE H H 1 7.792 . . 1 . . . . . 247 I HN . 50079 1 263 . 1 . 1 59 59 ILE C C 13 175.235 . . 1 . . . . . 247 I C . 50079 1 264 . 1 . 1 59 59 ILE CA C 13 60.546 . . 1 . . . . . 247 I CA . 50079 1 265 . 1 . 1 59 59 ILE CB C 13 38.601 . . 1 . . . . . 247 I CB . 50079 1 266 . 1 . 1 59 59 ILE N N 15 124.175 . . 1 . . . . . 247 I N . 50079 1 267 . 1 . 1 60 60 ALA H H 1 8.134 . . 1 . . . . . 248 A HN . 50079 1 268 . 1 . 1 60 60 ALA C C 13 177.470 . . 1 . . . . . 248 A C . 50079 1 269 . 1 . 1 60 60 ALA CA C 13 52.355 . . 1 . . . . . 248 A CA . 50079 1 270 . 1 . 1 60 60 ALA CB C 13 19.002 . . 1 . . . . . 248 A CB . 50079 1 271 . 1 . 1 60 60 ALA N N 15 128.289 . . 1 . . . . . 248 A N . 50079 1 272 . 1 . 1 61 61 SER H H 1 8.158 . . 1 . . . . . 249 S HN . 50079 1 273 . 1 . 1 61 61 SER C C 13 174.606 . . 1 . . . . . 249 S C . 50079 1 274 . 1 . 1 61 61 SER CA C 13 58.182 . . 1 . . . . . 249 S CA . 50079 1 275 . 1 . 1 61 61 SER CB C 13 63.653 . . 1 . . . . . 249 S CB . 50079 1 276 . 1 . 1 61 61 SER N N 15 115.501 . . 1 . . . . . 249 S N . 50079 1 277 . 1 . 1 62 62 VAL H H 1 8.099 . . 1 . . . . . 250 V HN . 50079 1 278 . 1 . 1 62 62 VAL C C 13 176.402 . . 1 . . . . . 250 V C . 50079 1 279 . 1 . 1 62 62 VAL CA C 13 62.365 . . 1 . . . . . 250 V CA . 50079 1 280 . 1 . 1 62 62 VAL CB C 13 32.513 . . 1 . . . . . 250 V CB . 50079 1 281 . 1 . 1 62 62 VAL N N 15 121.936 . . 1 . . . . . 250 V N . 50079 1 282 . 1 . 1 63 63 THR H H 1 8.055 . . 1 . . . . . 251 T HN . 50079 1 283 . 1 . 1 63 63 THR C C 13 174.283 . . 1 . . . . . 251 T C . 50079 1 284 . 1 . 1 63 63 THR CA C 13 61.920 . . 1 . . . . . 251 T CA . 50079 1 285 . 1 . 1 63 63 THR CB C 13 69.589 . . 1 . . . . . 251 T CB . 50079 1 286 . 1 . 1 63 63 THR N N 15 117.010 . . 1 . . . . . 251 T N . 50079 1 287 . 1 . 1 64 64 ASP H H 1 8.176 . . 1 . . . . . 252 D HN . 50079 1 288 . 1 . 1 64 64 ASP C C 13 176.431 . . 1 . . . . . 252 D C . 50079 1 289 . 1 . 1 64 64 ASP CA C 13 54.487 . . 1 . . . . . 252 D CA . 50079 1 290 . 1 . 1 64 64 ASP CB C 13 40.913 . . 1 . . . . . 252 D CB . 50079 1 291 . 1 . 1 64 64 ASP N N 15 122.935 . . 1 . . . . . 252 D N . 50079 1 292 . 1 . 1 65 65 SER H H 1 8.134 . . 1 . . . . . 253 S HN . 50079 1 293 . 1 . 1 65 65 SER C C 13 174.741 . . 1 . . . . . 253 S C . 50079 1 294 . 1 . 1 65 65 SER CA C 13 58.949 . . 1 . . . . . 253 S CA . 50079 1 295 . 1 . 1 65 65 SER CB C 13 63.474 . . 1 . . . . . 253 S CB . 50079 1 296 . 1 . 1 65 65 SER N N 15 116.124 . . 1 . . . . . 253 S N . 50079 1 297 . 1 . 1 66 66 GLU H H 1 8.248 . . 1 . . . . . 254 E HN . 50079 1 298 . 1 . 1 66 66 GLU C C 13 176.378 . . 1 . . . . . 254 E C . 50079 1 299 . 1 . 1 66 66 GLU CA C 13 56.845 . . 1 . . . . . 254 E CA . 50079 1 300 . 1 . 1 66 66 GLU CB C 13 29.812 . . 1 . . . . . 254 E CB . 50079 1 301 . 1 . 1 66 66 GLU N N 15 121.965 . . 1 . . . . . 254 E N . 50079 1 302 . 1 . 1 67 67 ASN H H 1 8.178 . . 1 . . . . . 255 N HN . 50079 1 303 . 1 . 1 67 67 ASN C C 13 175.661 . . 1 . . . . . 255 N C . 50079 1 304 . 1 . 1 67 67 ASN CA C 13 53.324 . . 1 . . . . . 255 N CA . 50079 1 305 . 1 . 1 67 67 ASN CB C 13 38.523 . . 1 . . . . . 255 N CB . 50079 1 306 . 1 . 1 67 67 ASN N N 15 119.034 . . 1 . . . . . 255 N N . 50079 1 307 . 1 . 1 68 68 THR H H 1 8.010 . . 1 . . . . . 256 T HN . 50079 1 308 . 1 . 1 68 68 THR C C 13 174.658 . . 1 . . . . . 256 T C . 50079 1 309 . 1 . 1 68 68 THR CA C 13 62.748 . . 1 . . . . . 256 T CA . 50079 1 310 . 1 . 1 68 68 THR CB C 13 69.221 . . 1 . . . . . 256 T CB . 50079 1 311 . 1 . 1 68 68 THR N N 15 114.495 . . 1 . . . . . 256 T N . 50079 1 312 . 1 . 1 69 69 ASN H H 1 8.305 . . 1 . . . . . 257 N HN . 50079 1 313 . 1 . 1 69 69 ASN C C 13 175.521 . . 1 . . . . . 257 N C . 50079 1 314 . 1 . 1 69 69 ASN CA C 13 53.706 . . 1 . . . . . 257 N CA . 50079 1 315 . 1 . 1 69 69 ASN CB C 13 38.331 . . 1 . . . . . 257 N CB . 50079 1 316 . 1 . 1 69 69 ASN N N 15 120.505 . . 1 . . . . . 257 N N . 50079 1 317 . 1 . 1 70 70 GLN H H 1 8.162 . . 1 . . . . . 258 Q HN . 50079 1 318 . 1 . 1 70 70 GLN C C 13 176.332 . . 1 . . . . . 258 Q C . 50079 1 319 . 1 . 1 70 70 GLN CA C 13 56.477 . . 1 . . . . . 258 Q CA . 50079 1 320 . 1 . 1 70 70 GLN CB C 13 28.742 . . 1 . . . . . 258 Q CB . 50079 1 321 . 1 . 1 70 70 GLN N N 15 120.427 . . 1 . . . . . 258 Q N . 50079 1 322 . 1 . 1 71 71 ARG H H 1 8.108 . . 1 . . . . . 259 R HN . 50079 1 323 . 1 . 1 71 71 ARG C C 13 176.857 . . 1 . . . . . 259 R C . 50079 1 324 . 1 . 1 71 71 ARG CA C 13 56.754 . . 1 . . . . . 259 R CA . 50079 1 325 . 1 . 1 71 71 ARG CB C 13 30.332 . . 1 . . . . . 259 R CB . 50079 1 326 . 1 . 1 71 71 ARG N N 15 121.422 . . 1 . . . . . 259 R N . 50079 1 327 . 1 . 1 72 72 GLU H H 1 8.210 . . 1 . . . . . 260 E HN . 50079 1 328 . 1 . 1 72 72 GLU C C 13 176.691 . . 1 . . . . . 260 E C . 50079 1 329 . 1 . 1 72 72 GLU CA C 13 56.896 . . 1 . . . . . 260 E CA . 50079 1 330 . 1 . 1 72 72 GLU CB C 13 29.822 . . 1 . . . . . 260 E CB . 50079 1 331 . 1 . 1 72 72 GLU N N 15 121.242 . . 1 . . . . . 260 E N . 50079 1 332 . 1 . 1 73 73 ALA H H 1 8.098 . . 1 . . . . . 261 A HN . 50079 1 333 . 1 . 1 73 73 ALA C C 13 177.974 . . 1 . . . . . 261 A C . 50079 1 334 . 1 . 1 73 73 ALA CA C 13 52.948 . . 1 . . . . . 261 A CA . 50079 1 335 . 1 . 1 73 73 ALA CB C 13 18.735 . . 1 . . . . . 261 A CB . 50079 1 336 . 1 . 1 73 73 ALA N N 15 124.530 . . 1 . . . . . 261 A N . 50079 1 337 . 1 . 1 74 74 ALA C C 13 178.010 . . 1 . . . . . 262 A C . 50079 1 338 . 1 . 1 74 74 ALA CA C 13 52.695 . . 1 . . . . . 262 A CA . 50079 1 339 . 1 . 1 74 74 ALA CB C 13 18.774 . . 1 . . . . . 262 A CB . 50079 1 340 . 1 . 1 74 74 ALA N N 15 122.187 . . 1 . . . . . 262 A N . 50079 1 341 . 1 . 1 75 75 SER H H 1 7.939 . . 1 . . . . . 263 S HN . 50079 1 342 . 1 . 1 75 75 SER C C 13 174.434 . . 1 . . . . . 263 S C . 50079 1 343 . 1 . 1 75 75 SER CA C 13 58.487 . . 1 . . . . . 263 S CA . 50079 1 344 . 1 . 1 75 75 SER CB C 13 63.651 . . 1 . . . . . 263 S CB . 50079 1 345 . 1 . 1 75 75 SER N N 15 114.163 . . 1 . . . . . 263 S N . 50079 1 346 . 1 . 1 76 76 HIS H H 1 8.067 . . 1 . . . . . 264 H HN . 50079 1 347 . 1 . 1 76 76 HIS C C 13 173.768 . . 1 . . . . . 264 H C . 50079 1 348 . 1 . 1 76 76 HIS CA C 13 55.580 . . 1 . . . . . 264 H CA . 50079 1 349 . 1 . 1 76 76 HIS CB C 13 29.432 . . 1 . . . . . 264 H CB . 50079 1 350 . 1 . 1 76 76 HIS N N 15 119.963 . . 1 . . . . . 264 H N . 50079 1 351 . 1 . 1 77 77 GLY H H 1 8.093 . . 1 . . . . . 265 G HN . 50079 1 352 . 1 . 1 77 77 GLY C C 13 174.967 . . 1 . . . . . 265 G C . 50079 1 353 . 1 . 1 77 77 GLY CA C 13 45.017 . . 1 . . . . . 265 G CA . 50079 1 354 . 1 . 1 77 77 GLY N N 15 109.084 . . 1 . . . . . 265 G N . 50079 1 355 . 1 . 1 78 78 PHE H H 1 8.159 . . 1 . . . . . 266 F HN . 50079 1 356 . 1 . 1 78 78 PHE C C 13 175.235 . . 1 . . . . . 266 F C . 50079 1 357 . 1 . 1 78 78 PHE CA C 13 53.056 . . 1 . . . . . 266 F CA . 50079 1 358 . 1 . 1 78 78 PHE CB C 13 38.806 . . 1 . . . . . 266 F CB . 50079 1 359 . 1 . 1 78 78 PHE N N 15 118.549 . . 1 . . . . . 266 F N . 50079 1 360 . 1 . 1 79 79 GLY H H 1 8.281 . . 1 . . . . . 267 G HN . 50079 1 361 . 1 . 1 79 79 GLY C C 13 173.902 . . 1 . . . . . 267 G C . 50079 1 362 . 1 . 1 79 79 GLY CA C 13 45.144 . . 1 . . . . . 267 G CA . 50079 1 363 . 1 . 1 79 79 GLY N N 15 110.561 . . 1 . . . . . 267 G N . 50079 1 364 . 1 . 1 80 80 LYS H H 1 8.047 . . 1 . . . . . 268 K HN . 50079 1 365 . 1 . 1 80 80 LYS C C 13 176.931 . . 1 . . . . . 268 K C . 50079 1 366 . 1 . 1 80 80 LYS CA C 13 56.328 . . 1 . . . . . 268 K CA . 50079 1 367 . 1 . 1 80 80 LYS CB C 13 32.898 . . 1 . . . . . 268 K CB . 50079 1 368 . 1 . 1 80 80 LYS N N 15 120.791 . . 1 . . . . . 268 K N . 50079 1 369 . 1 . 1 81 81 THR H H 1 8.109 . . 1 . . . . . 269 T HN . 50079 1 370 . 1 . 1 81 81 THR C C 13 174.353 . . 1 . . . . . 269 T C . 50079 1 371 . 1 . 1 81 81 THR CA C 13 61.575 . . 1 . . . . . 269 T CA . 50079 1 372 . 1 . 1 81 81 THR CB C 13 69.702 . . 1 . . . . . 269 T CB . 50079 1 373 . 1 . 1 81 81 THR N N 15 114.562 . . 1 . . . . . 269 T N . 50079 1 374 . 1 . 1 82 82 SER H H 1 8.189 . . 1 . . . . . 270 S HN . 50079 1 375 . 1 . 1 82 82 SER C C 13 174.828 . . 1 . . . . . 270 S C . 50079 1 376 . 1 . 1 82 82 SER CB C 13 63.762 . . 1 . . . . . 270 S CB . 50079 1 377 . 1 . 1 82 82 SER N N 15 117.683 . . 1 . . . . . 270 S N . 50079 1 378 . 1 . 1 83 83 GLY H H 1 8.279 . . 1 . . . . . 271 G HN . 50079 1 379 . 1 . 1 83 83 GLY C C 13 173.826 . . 1 . . . . . 271 G C . 50079 1 380 . 1 . 1 83 83 GLY CA C 13 45.260 . . 1 . . . . . 271 G CA . 50079 1 381 . 1 . 1 83 83 GLY N N 15 110.574 . . 1 . . . . . 271 G N . 50079 1 382 . 1 . 1 84 84 ASN H H 1 8.157 . . 1 . . . . . 272 N HN . 50079 1 383 . 1 . 1 84 84 ASN C C 13 175.235 . . 1 . . . . . 272 N C . 50079 1 384 . 1 . 1 84 84 ASN CA C 13 53.039 . . 1 . . . . . 272 N CA . 50079 1 385 . 1 . 1 84 84 ASN CB C 13 38.828 . . 1 . . . . . 272 N CB . 50079 1 386 . 1 . 1 84 84 ASN N N 15 118.560 . . 1 . . . . . 272 N N . 50079 1 387 . 1 . 1 85 85 SER H H 1 8.101 . . 1 . . . . . 273 S HN . 50079 1 388 . 1 . 1 85 85 SER C C 13 173.913 . . 1 . . . . . 273 S C . 50079 1 389 . 1 . 1 85 85 SER CA C 13 58.398 . . 1 . . . . . 273 S CA . 50079 1 390 . 1 . 1 85 85 SER CB C 13 63.509 . . 1 . . . . . 273 S CB . 50079 1 391 . 1 . 1 85 85 SER N N 15 116.067 . . 1 . . . . . 273 S N . 50079 1 392 . 1 . 1 86 86 PHE H H 1 8.005 . . 1 . . . . . 274 F HN . 50079 1 393 . 1 . 1 86 86 PHE C C 13 175.292 . . 1 . . . . . 274 F C . 50079 1 394 . 1 . 1 86 86 PHE CA C 13 57.624 . . 1 . . . . . 274 F CA . 50079 1 395 . 1 . 1 86 86 PHE CB C 13 39.198 . . 1 . . . . . 274 F CB . 50079 1 396 . 1 . 1 86 86 PHE N N 15 121.725 . . 1 . . . . . 274 F N . 50079 1 397 . 1 . 1 87 87 LYS H H 1 7.961 . . 1 . . . . . 275 K HN . 50079 1 398 . 1 . 1 87 87 LYS C C 13 175.992 . . 1 . . . . . 275 K C . 50079 1 399 . 1 . 1 87 87 LYS CA C 13 55.904 . . 1 . . . . . 275 K CA . 50079 1 400 . 1 . 1 87 87 LYS CB C 13 32.961 . . 1 . . . . . 275 K CB . 50079 1 401 . 1 . 1 87 87 LYS N N 15 123.172 . . 1 . . . . . 275 K N . 50079 1 402 . 1 . 1 88 88 VAL H H 1 8.012 . . 1 . . . . . 276 V HN . 50079 1 403 . 1 . 1 88 88 VAL C C 13 175.775 . . 1 . . . . . 276 V C . 50079 1 404 . 1 . 1 88 88 VAL CA C 13 62.291 . . 1 . . . . . 276 V CA . 50079 1 405 . 1 . 1 88 88 VAL CB C 13 32.534 . . 1 . . . . . 276 V CB . 50079 1 406 . 1 . 1 88 88 VAL N N 15 121.729 . . 1 . . . . . 276 V N . 50079 1 407 . 1 . 1 89 89 ASN H H 1 8.417 . . 1 . . . . . 277 N HN . 50079 1 408 . 1 . 1 89 89 ASN C C 13 175.109 . . 1 . . . . . 277 N C . 50079 1 409 . 1 . 1 89 89 ASN CA C 13 53.071 . . 1 . . . . . 277 N CA . 50079 1 410 . 1 . 1 89 89 ASN CB C 13 38.642 . . 1 . . . . . 277 N CB . 50079 1 411 . 1 . 1 89 89 ASN N N 15 122.512 . . 1 . . . . . 277 N N . 50079 1 412 . 1 . 1 90 90 SER H H 1 8.189 . . 1 . . . . . 278 S HN . 50079 1 413 . 1 . 1 90 90 SER C C 13 174.467 . . 1 . . . . . 278 S C . 50079 1 414 . 1 . 1 90 90 SER CA C 13 58.281 . . 1 . . . . . 278 S CA . 50079 1 415 . 1 . 1 90 90 SER CB C 13 63.557 . . 1 . . . . . 278 S CB . 50079 1 416 . 1 . 1 90 90 SER N N 15 116.737 . . 1 . . . . . 278 S N . 50079 1 417 . 1 . 1 91 91 CYS C C 13 174.648 . . 1 . . . . . 279 C C . 50079 1 418 . 1 . 1 91 91 CYS CA C 13 58.817 . . 1 . . . . . 279 C CA . 50079 1 419 . 1 . 1 91 91 CYS CB C 13 27.745 . . 1 . . . . . 279 C CB . 50079 1 420 . 1 . 1 92 92 LYS H H 1 8.251 . . 1 . . . . . 280 K HN . 50079 1 421 . 1 . 1 92 92 LYS C C 13 176.062 . . 1 . . . . . 280 K C . 50079 1 422 . 1 . 1 92 92 LYS CA C 13 56.427 . . 1 . . . . . 280 K CA . 50079 1 423 . 1 . 1 92 92 LYS CB C 13 32.559 . . 1 . . . . . 280 K CB . 50079 1 424 . 1 . 1 92 92 LYS N N 15 123.605 . . 1 . . . . . 280 K N . 50079 1 425 . 1 . 1 93 93 ASP H H 1 8.039 . . 1 . . . . . 281 D HN . 50079 1 426 . 1 . 1 93 93 ASP C C 13 175.477 . . 1 . . . . . 281 D C . 50079 1 427 . 1 . 1 93 93 ASP CA C 13 54.424 . . 1 . . . . . 281 D CA . 50079 1 428 . 1 . 1 93 93 ASP CB C 13 40.895 . . 1 . . . . . 281 D CB . 50079 1 429 . 1 . 1 93 93 ASP N N 15 120.455 . . 1 . . . . . 281 D N . 50079 1 430 . 1 . 1 94 94 HIS H H 1 8.069 . . 1 . . . . . 282 H HN . 50079 1 431 . 1 . 1 94 94 HIS C C 13 174.152 . . 1 . . . . . 282 H C . 50079 1 432 . 1 . 1 94 94 HIS CA C 13 55.497 . . 1 . . . . . 282 H CA . 50079 1 433 . 1 . 1 94 94 HIS CB C 13 29.328 . . 1 . . . . . 282 H CB . 50079 1 434 . 1 . 1 94 94 HIS N N 15 118.647 . . 1 . . . . . 282 H N . 50079 1 435 . 1 . 1 95 95 ILE H H 1 8.022 . . 1 . . . . . 283 I HN . 50079 1 436 . 1 . 1 95 95 ILE C C 13 175.473 . . 1 . . . . . 283 I C . 50079 1 437 . 1 . 1 95 95 ILE CA C 13 61.031 . . 1 . . . . . 283 I CA . 50079 1 438 . 1 . 1 95 95 ILE CB C 13 38.654 . . 1 . . . . . 283 I CB . 50079 1 439 . 1 . 1 95 95 ILE N N 15 123.153 . . 1 . . . . . 283 I N . 50079 1 440 . 1 . 1 96 96 GLY H H 1 7.925 . . 1 . . . . . 284 G HN . 50079 1 441 . 1 . 1 96 96 GLY C C 13 178.789 . . 1 . . . . . 284 G C . 50079 1 442 . 1 . 1 96 96 GLY CA C 13 45.846 . . 1 . . . . . 284 G CA . 50079 1 443 . 1 . 1 96 96 GLY N N 15 119.070 . . 1 . . . . . 284 G N . 50079 1 stop_ save_