data_51113 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51113 _Entry.Title ; The 1H, 15N, and 13C resonance assignments of the low-complexity domain from the oncogenic fusion protein EWS-FLI1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-09-29 _Entry.Accession_date 2021-09-29 _Entry.Last_release_date 2021-09-29 _Entry.Original_release_date 2021-09-29 _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 Courtney Johnson . N. . 0000-0003-4008-3480 51113 2 Xiaoping Xu . . . . 51113 3 Stephen Holloway . P. . . 51113 4 David Libich . S. . 0000-0001-6492-2803 51113 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Department of Biochemistry and Structural Biology' . 51113 2 . "Greehey Children's Cancer Research Institute" . 51113 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51113 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 262 51113 '15N chemical shifts' 78 51113 '1H chemical shifts' 78 51113 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 . . 2022-05-26 2021-09-29 update BMRB 'update entry citation' 51113 1 . . 2022-02-18 2021-09-29 original author 'original release' 51113 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51111 'low-complexity domain from the oncogenic fusion protein EWS-FLI1, 1-120' 51113 BMRB 51112 'low-complexity domain from the oncogenic fusion protein EWS-FLI1, 91-199' 51113 BMRB 51114 'low-complexity domain from the oncogenic fusion protein EWS-FLI1, 1-264' 51113 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51113 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34994941 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The 1H, 15N and 13C resonance assignments of the low-complexity domain from the oncogenic fusion protein EWS-FLI1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 16 _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 67 _Citation.Page_last 73 _Citation.Year 2022 _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 Courtney Johnson . N. . . 51113 1 2 Xiaoping Xu . . . . 51113 1 3 Stephen Holloway . P. . . 51113 1 4 David Libich . S. . . 51113 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51113 _Assembly.ID 1 _Assembly.Name 'EWSR1 171-264' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'EWSR1 171-264' 1 $entity_1 . . yes native no no . . . 51113 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51113 _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 ; TYPQVPGSYPMQPVTAPPSY PPTSYSSTQPTSYDQSSYSQ QNTYGQPSSYGQQSSYGQQS SYGQQPPTSYPPQTGSYSQA PSQYSQQSSSYGQQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites yes _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 94 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 1 171 THR . 51113 1 2 172 TYR . 51113 1 3 173 PRO . 51113 1 4 174 GLN . 51113 1 5 175 VAL . 51113 1 6 176 PRO . 51113 1 7 177 GLY . 51113 1 8 178 SER . 51113 1 9 179 TYR . 51113 1 10 180 PRO . 51113 1 11 181 MET . 51113 1 12 182 GLN . 51113 1 13 183 PRO . 51113 1 14 184 VAL . 51113 1 15 185 THR . 51113 1 16 186 ALA . 51113 1 17 187 PRO . 51113 1 18 188 PRO . 51113 1 19 189 SER . 51113 1 20 190 TYR . 51113 1 21 191 PRO . 51113 1 22 192 PRO . 51113 1 23 193 THR . 51113 1 24 194 SER . 51113 1 25 195 TYR . 51113 1 26 196 SER . 51113 1 27 197 SER . 51113 1 28 198 THR . 51113 1 29 199 GLN . 51113 1 30 200 PRO . 51113 1 31 201 THR . 51113 1 32 202 SER . 51113 1 33 203 TYR . 51113 1 34 204 ASP . 51113 1 35 205 GLN . 51113 1 36 206 SER . 51113 1 37 207 SER . 51113 1 38 208 TYR . 51113 1 39 209 SER . 51113 1 40 210 GLN . 51113 1 41 211 GLN . 51113 1 42 212 ASN . 51113 1 43 213 THR . 51113 1 44 214 TYR . 51113 1 45 215 GLY . 51113 1 46 216 GLN . 51113 1 47 217 PRO . 51113 1 48 218 SER . 51113 1 49 219 SER . 51113 1 50 220 TYR . 51113 1 51 221 GLY . 51113 1 52 222 GLN . 51113 1 53 223 GLN . 51113 1 54 224 SER . 51113 1 55 225 SER . 51113 1 56 226 TYR . 51113 1 57 227 GLY . 51113 1 58 228 GLN . 51113 1 59 229 GLN . 51113 1 60 230 SER . 51113 1 61 231 SER . 51113 1 62 232 TYR . 51113 1 63 233 GLY . 51113 1 64 234 GLN . 51113 1 65 235 GLN . 51113 1 66 236 PRO . 51113 1 67 237 PRO . 51113 1 68 238 THR . 51113 1 69 239 SER . 51113 1 70 240 TYR . 51113 1 71 241 PRO . 51113 1 72 242 PRO . 51113 1 73 243 GLN . 51113 1 74 244 THR . 51113 1 75 245 GLY . 51113 1 76 246 SER . 51113 1 77 247 TYR . 51113 1 78 248 SER . 51113 1 79 249 GLN . 51113 1 80 250 ALA . 51113 1 81 251 PRO . 51113 1 82 252 SER . 51113 1 83 253 GLN . 51113 1 84 254 TYR . 51113 1 85 255 SER . 51113 1 86 256 GLN . 51113 1 87 257 GLN . 51113 1 88 258 SER . 51113 1 89 259 SER . 51113 1 90 260 SER . 51113 1 91 261 TYR . 51113 1 92 262 GLY . 51113 1 93 263 GLN . 51113 1 94 264 GLN . 51113 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 . THR 1 1 51113 1 . TYR 2 2 51113 1 . PRO 3 3 51113 1 . GLN 4 4 51113 1 . VAL 5 5 51113 1 . PRO 6 6 51113 1 . GLY 7 7 51113 1 . SER 8 8 51113 1 . TYR 9 9 51113 1 . PRO 10 10 51113 1 . MET 11 11 51113 1 . GLN 12 12 51113 1 . PRO 13 13 51113 1 . VAL 14 14 51113 1 . THR 15 15 51113 1 . ALA 16 16 51113 1 . PRO 17 17 51113 1 . PRO 18 18 51113 1 . SER 19 19 51113 1 . TYR 20 20 51113 1 . PRO 21 21 51113 1 . PRO 22 22 51113 1 . THR 23 23 51113 1 . SER 24 24 51113 1 . TYR 25 25 51113 1 . SER 26 26 51113 1 . SER 27 27 51113 1 . THR 28 28 51113 1 . GLN 29 29 51113 1 . PRO 30 30 51113 1 . THR 31 31 51113 1 . SER 32 32 51113 1 . TYR 33 33 51113 1 . ASP 34 34 51113 1 . GLN 35 35 51113 1 . SER 36 36 51113 1 . SER 37 37 51113 1 . TYR 38 38 51113 1 . SER 39 39 51113 1 . GLN 40 40 51113 1 . GLN 41 41 51113 1 . ASN 42 42 51113 1 . THR 43 43 51113 1 . TYR 44 44 51113 1 . GLY 45 45 51113 1 . GLN 46 46 51113 1 . PRO 47 47 51113 1 . SER 48 48 51113 1 . SER 49 49 51113 1 . TYR 50 50 51113 1 . GLY 51 51 51113 1 . GLN 52 52 51113 1 . GLN 53 53 51113 1 . SER 54 54 51113 1 . SER 55 55 51113 1 . TYR 56 56 51113 1 . GLY 57 57 51113 1 . GLN 58 58 51113 1 . GLN 59 59 51113 1 . SER 60 60 51113 1 . SER 61 61 51113 1 . TYR 62 62 51113 1 . GLY 63 63 51113 1 . GLN 64 64 51113 1 . GLN 65 65 51113 1 . PRO 66 66 51113 1 . PRO 67 67 51113 1 . THR 68 68 51113 1 . SER 69 69 51113 1 . TYR 70 70 51113 1 . PRO 71 71 51113 1 . PRO 72 72 51113 1 . GLN 73 73 51113 1 . THR 74 74 51113 1 . GLY 75 75 51113 1 . SER 76 76 51113 1 . TYR 77 77 51113 1 . SER 78 78 51113 1 . GLN 79 79 51113 1 . ALA 80 80 51113 1 . PRO 81 81 51113 1 . SER 82 82 51113 1 . GLN 83 83 51113 1 . TYR 84 84 51113 1 . SER 85 85 51113 1 . GLN 86 86 51113 1 . GLN 87 87 51113 1 . SER 88 88 51113 1 . SER 89 89 51113 1 . SER 90 90 51113 1 . TYR 91 91 51113 1 . GLY 92 92 51113 1 . GLN 93 93 51113 1 . GLN 94 94 51113 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 51113 _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 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 51113 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 51113 _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 . . pAG8H-GB1 . . . 51113 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51113 _Sample.ID 1 _Sample.Name EWSR1_171-264 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM MES pH 5.5, 0.1mM PMSF, 1mM EDTA' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'EWSR1 171-264' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 100 . . uM . . . . 51113 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 51113 1 3 PMSF 'natural abundance' . . . . . . 0.1 . . mM . . . . 51113 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 51113 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 51113 _Sample_condition_list.ID 1 _Sample_condition_list.Name EWSR1_171-264 _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 pH 6.2 . pH 51113 1 pressure 1 . atm 51113 1 temperature 298 . K 51113 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51113 _Software.ID 1 _Software.Type . _Software.Name ANALYSIS _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51113 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51113 _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 . 51113 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51113 _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 . 51113 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 51113 _Software.ID 4 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51113 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 51113 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance Neo 700 MHz' _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 51113 _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 . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51113 1 2 '3D HNCO' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51113 1 3 '3D HNCACO' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51113 1 4 '3D HN(CO)CACB' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51113 1 5 '3D HNCACB' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51113 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 51113 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name water _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 na protons . . . . ppm 42.928 internal direct 1 . . . . . 51113 1 H 1 water protons . . . . ppm 8.210 internal direct 1 . . . . . 51113 1 N 15 na protons . . . . ppm 118.771 internal direct 1 . . . . . 51113 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 51113 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name EWSR1_171-264 _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' . . . 51113 1 2 '3D HNCO' . . . 51113 1 3 '3D HNCACO' . . . 51113 1 4 '3D HN(CO)CACB' . . . 51113 1 5 '3D HNCACB' . . . 51113 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 2 $software_2 . . 51113 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 1 1 THR CA C 13 62.021 0.062 . 1 . . 374 . . 171 THR CA . 51113 1 2 . 1 . 1 1 1 THR CB C 13 69.984 0.045 . 1 . . 373 . . 171 THR CB . 51113 1 3 . 1 . 1 2 2 TYR H H 1 8.279 0.001 . 1 . . 79 . . 172 TYR H . 51113 1 4 . 1 . 1 2 2 TYR C C 13 173.895 . . 1 . . 328 . . 172 TYR C . 51113 1 5 . 1 . 1 2 2 TYR CA C 13 55.824 . . 1 . . 221 . . 172 TYR CA . 51113 1 6 . 1 . 1 2 2 TYR CB C 13 38.398 . . 1 . . 220 . . 172 TYR CB . 51113 1 7 . 1 . 1 2 2 TYR N N 15 123.513 0.026 . 1 . . 80 . . 172 TYR N . 51113 1 8 . 1 . 1 3 3 PRO C C 13 176.458 0 . 1 . . 349 . . 173 PRO C . 51113 1 9 . 1 . 1 3 3 PRO CA C 13 63.248 0.05 . 1 . . 378 . . 173 PRO CA . 51113 1 10 . 1 . 1 3 3 PRO CB C 13 32.017 0.024 . 1 . . 377 . . 173 PRO CB . 51113 1 11 . 1 . 1 4 4 GLN H H 1 8.394 0.002 . 1 . . 53 . . 174 GLN H . 51113 1 12 . 1 . 1 4 4 GLN C C 13 175.781 0.003 . 1 . . 324 . . 174 GLN C . 51113 1 13 . 1 . 1 4 4 GLN CA C 13 55.685 0.021 . 1 . . 190 . . 174 GLN CA . 51113 1 14 . 1 . 1 4 4 GLN CB C 13 29.701 0.064 . 1 . . 189 . . 174 GLN CB . 51113 1 15 . 1 . 1 4 4 GLN N N 15 120.925 0.024 . 1 . . 54 . . 174 GLN N . 51113 1 16 . 1 . 1 5 5 VAL H H 1 8.211 0.002 . 1 . . 119 . . 175 VAL H . 51113 1 17 . 1 . 1 5 5 VAL C C 13 174.486 . . 1 . . 325 . . 175 VAL C . 51113 1 18 . 1 . 1 5 5 VAL CA C 13 59.947 . . 1 . . 210 . . 175 VAL CA . 51113 1 19 . 1 . 1 5 5 VAL CB C 13 32.557 . . 1 . . 209 . . 175 VAL CB . 51113 1 20 . 1 . 1 5 5 VAL N N 15 122.825 0.008 . 1 . . 120 . . 175 VAL N . 51113 1 21 . 1 . 1 6 6 PRO C C 13 177.379 0.005 . 1 . . 350 . . 176 PRO C . 51113 1 22 . 1 . 1 6 6 PRO CA C 13 63.659 0.039 . 1 . . 274 . . 176 PRO CA . 51113 1 23 . 1 . 1 6 6 PRO CB C 13 32.095 0.019 . 1 . . 379 . . 176 PRO CB . 51113 1 24 . 1 . 1 7 7 GLY H H 1 8.467 0.003 . 1 . . 1 . . 177 GLY H . 51113 1 25 . 1 . 1 7 7 GLY C C 13 173.919 0.011 . 1 . . 245 . . 177 GLY C . 51113 1 26 . 1 . 1 7 7 GLY CA C 13 45.302 0.01 . 1 . . 134 . . 177 GLY CA . 51113 1 27 . 1 . 1 7 7 GLY N N 15 109.692 0.035 . 1 . . 2 . . 177 GLY N . 51113 1 28 . 1 . 1 8 8 SER H H 1 7.973 0.003 . 1 . . 105 . . 178 SER H . 51113 1 29 . 1 . 1 8 8 SER C C 13 173.538 0.015 . 1 . . 275 . . 178 SER C . 51113 1 30 . 1 . 1 8 8 SER CA C 13 58.231 0.011 . 1 . . 148 . . 178 SER CA . 51113 1 31 . 1 . 1 8 8 SER CB C 13 64.038 0.07 . 1 . . 149 . . 178 SER CB . 51113 1 32 . 1 . 1 8 8 SER N N 15 114.982 0.016 . 1 . . 106 . . 178 SER N . 51113 1 33 . 1 . 1 9 9 TYR H H 1 8.126 0.003 . 1 . . 128 . . 179 TYR H . 51113 1 34 . 1 . 1 9 9 TYR C C 13 173.816 . . 1 . . 250 . . 179 TYR C . 51113 1 35 . 1 . 1 9 9 TYR CA C 13 55.734 . . 1 . . 207 . . 179 TYR CA . 51113 1 36 . 1 . 1 9 9 TYR CB C 13 38.199 . . 1 . . 208 . . 179 TYR CB . 51113 1 37 . 1 . 1 9 9 TYR N N 15 122.733 0.003 . 1 . . 129 . . 179 TYR N . 51113 1 38 . 1 . 1 10 10 PRO C C 13 176.664 0.014 . 1 . . 351 . . 180 PRO C . 51113 1 39 . 1 . 1 10 10 PRO CA C 13 63.326 0.027 . 1 . . 380 . . 180 PRO CA . 51113 1 40 . 1 . 1 10 10 PRO CB C 13 31.954 0.071 . 1 . . 381 . . 180 PRO CB . 51113 1 41 . 1 . 1 11 11 MET H H 1 8.341 0.003 . 1 . . 34 . . 181 MET H . 51113 1 42 . 1 . 1 11 11 MET C C 13 175.957 0.003 . 1 . . 267 . . 181 MET C . 51113 1 43 . 1 . 1 11 11 MET CA C 13 55.48 0.018 . 1 . . 183 . . 181 MET CA . 51113 1 44 . 1 . 1 11 11 MET CB C 13 33.051 0.06 . 1 . . 184 . . 181 MET CB . 51113 1 45 . 1 . 1 11 11 MET N N 15 120.464 0.029 . 1 . . 35 . . 181 MET N . 51113 1 46 . 1 . 1 12 12 GLN H H 1 8.299 0.002 . 1 . . 71 . . 182 GLN H . 51113 1 47 . 1 . 1 12 12 GLN C C 13 173.803 . . 1 . . 323 . . 182 GLN C . 51113 1 48 . 1 . 1 12 12 GLN CA C 13 53.669 . . 1 . . 212 . . 182 GLN CA . 51113 1 49 . 1 . 1 12 12 GLN CB C 13 28.981 . . 1 . . 211 . . 182 GLN CB . 51113 1 50 . 1 . 1 12 12 GLN N N 15 122.564 0.01 . 1 . . 72 . . 182 GLN N . 51113 1 51 . 1 . 1 13 13 PRO C C 13 176.805 0.003 . 1 . . 352 . . 183 PRO C . 51113 1 52 . 1 . 1 13 13 PRO CA C 13 63.097 0.008 . 1 . . 382 . . 183 PRO CA . 51113 1 53 . 1 . 1 13 13 PRO CB C 13 32.108 0.022 . 1 . . 383 . . 183 PRO CB . 51113 1 54 . 1 . 1 14 14 VAL H H 1 8.303 0.002 . 1 . . 22 . . 184 VAL H . 51113 1 55 . 1 . 1 14 14 VAL C C 13 176.425 0.005 . 1 . . 268 . . 184 VAL C . 51113 1 56 . 1 . 1 14 14 VAL CA C 13 62.342 0.054 . 1 . . 182 . . 184 VAL CA . 51113 1 57 . 1 . 1 14 14 VAL CB C 13 32.832 0.043 . 1 . . 181 . . 184 VAL CB . 51113 1 58 . 1 . 1 14 14 VAL N N 15 120.626 0.021 . 1 . . 230 . . 184 VAL N . 51113 1 59 . 1 . 1 15 15 THR H H 1 8.171 0.002 . 1 . . 25 . . 185 THR H . 51113 1 60 . 1 . 1 15 15 THR C C 13 173.648 0.003 . 1 . . 229 . . 185 THR C . 51113 1 61 . 1 . 1 15 15 THR CA C 13 61.605 0.062 . 1 . . 167 . . 185 THR CA . 51113 1 62 . 1 . 1 15 15 THR CB C 13 69.925 0.021 . 1 . . 168 . . 185 THR CB . 51113 1 63 . 1 . 1 15 15 THR N N 15 118.3 0.007 . 1 . . 231 . . 185 THR N . 51113 1 64 . 1 . 1 16 16 ALA H H 1 8.256 0.004 . 1 . . 99 . . 186 ALA H . 51113 1 65 . 1 . 1 16 16 ALA C C 13 174.753 . . 1 . . 228 . . 186 ALA C . 51113 1 66 . 1 . 1 16 16 ALA CA C 13 50.436 . . 1 . . 227 . . 186 ALA CA . 51113 1 67 . 1 . 1 16 16 ALA CB C 13 18.209 . . 1 . . 226 . . 186 ALA CB . 51113 1 68 . 1 . 1 16 16 ALA N N 15 128.104 0.03 . 1 . . 100 . . 186 ALA N . 51113 1 69 . 1 . 1 18 18 PRO C C 13 176.491 0.013 . 1 . . 353 . . 188 PRO C . 51113 1 70 . 1 . 1 18 18 PRO CA C 13 63.067 0.002 . 1 . . 384 . . 188 PRO CA . 51113 1 71 . 1 . 1 18 18 PRO CB C 13 32.042 0.009 . 1 . . 385 . . 188 PRO CB . 51113 1 72 . 1 . 1 19 19 SER H H 1 8.166 0.003 . 1 . . 126 . . 189 SER H . 51113 1 73 . 1 . 1 19 19 SER C C 13 173.49 0.014 . 1 . . 249 . . 189 SER C . 51113 1 74 . 1 . 1 19 19 SER CA C 13 58.032 0.053 . 1 . . 152 . . 189 SER CA . 51113 1 75 . 1 . 1 19 19 SER CB C 13 63.923 0.046 . 1 . . 153 . . 189 SER CB . 51113 1 76 . 1 . 1 19 19 SER N N 15 115.465 0.006 . 1 . . 127 . . 189 SER N . 51113 1 77 . 1 . 1 20 20 TYR H H 1 8.076 0.004 . 1 . . 89 . . 190 TYR H . 51113 1 78 . 1 . 1 20 20 TYR C C 13 173.36 . . 1 . . 329 . . 190 TYR C . 51113 1 79 . 1 . 1 20 20 TYR CA C 13 55.663 . . 1 . . 206 . . 190 TYR CA . 51113 1 80 . 1 . 1 20 20 TYR CB C 13 38.144 . . 1 . . 205 . . 190 TYR CB . 51113 1 81 . 1 . 1 20 20 TYR N N 15 122.376 0.007 . 1 . . 90 . . 190 TYR N . 51113 1 82 . 1 . 1 22 22 PRO C C 13 177.204 0.01 . 1 . . 354 . . 192 PRO C . 51113 1 83 . 1 . 1 22 22 PRO CA C 13 63.264 0.039 . 1 . . 387 . . 192 PRO CA . 51113 1 84 . 1 . 1 22 22 PRO CB C 13 32.072 0.017 . 1 . . 386 . . 192 PRO CB . 51113 1 85 . 1 . 1 23 23 THR H H 1 8.136 0.004 . 1 . . 97 . . 193 THR H . 51113 1 86 . 1 . 1 23 23 THR C C 13 174.574 0.003 . 1 . . 330 . . 193 THR C . 51113 1 87 . 1 . 1 23 23 THR CA C 13 62.093 0.06 . 1 . . 140 . . 193 THR CA . 51113 1 88 . 1 . 1 23 23 THR CB C 13 69.927 0.062 . 1 . . 139 . . 193 THR CB . 51113 1 89 . 1 . 1 23 23 THR N N 15 113.498 0.015 . 1 . . 98 . . 193 THR N . 51113 1 90 . 1 . 1 24 24 SER H H 1 8.195 0.004 . 1 . . 321 . . 194 SER H . 51113 1 91 . 1 . 1 24 24 SER C C 13 174.029 0.014 . 1 . . 331 . . 194 SER C . 51113 1 92 . 1 . 1 24 24 SER CA C 13 58.239 0.003 . 1 . . 333 . . 194 SER CA . 51113 1 93 . 1 . 1 24 24 SER CB C 13 63.805 0.035 . 1 . . 332 . . 194 SER CB . 51113 1 94 . 1 . 1 24 24 SER N N 15 117.457 0.009 . 1 . . 322 . . 194 SER N . 51113 1 95 . 1 . 1 25 25 TYR H H 1 8.177 0.002 . 1 . . 326 . . 195 TYR H . 51113 1 96 . 1 . 1 25 25 TYR C C 13 175.759 0.013 . 1 . . 336 . . 195 TYR C . 51113 1 97 . 1 . 1 25 25 TYR CA C 13 57.986 0.039 . 1 . . 335 . . 195 TYR CA . 51113 1 98 . 1 . 1 25 25 TYR CB C 13 38.719 0.042 . 1 . . 334 . . 195 TYR CB . 51113 1 99 . 1 . 1 25 25 TYR N N 15 122.068 0.022 . 1 . . 327 . . 195 TYR N . 51113 1 100 . 1 . 1 26 26 SER H H 1 8.143 0.002 . 1 . . 289 . . 196 SER H . 51113 1 101 . 1 . 1 26 26 SER C C 13 174.364 0.011 . 1 . . 337 . . 196 SER C . 51113 1 102 . 1 . 1 26 26 SER CA C 13 58.312 0.027 . 1 . . 339 . . 196 SER CA . 51113 1 103 . 1 . 1 26 26 SER CB C 13 63.901 0.019 . 1 . . 338 . . 196 SER CB . 51113 1 104 . 1 . 1 26 26 SER N N 15 117.245 0.004 . 1 . . 290 . . 196 SER N . 51113 1 105 . 1 . 1 27 27 SER H H 1 8.322 0.003 . 1 . . 69 . . 197 SER H . 51113 1 106 . 1 . 1 27 27 SER C C 13 174.694 0.015 . 1 . . 279 . . 197 SER C . 51113 1 107 . 1 . 1 27 27 SER CA C 13 58.642 0.021 . 1 . . 280 . . 197 SER CA . 51113 1 108 . 1 . 1 27 27 SER CB C 13 63.793 0.017 . 1 . . 281 . . 197 SER CB . 51113 1 109 . 1 . 1 27 27 SER N N 15 117.926 0.005 . 1 . . 70 . . 197 SER N . 51113 1 110 . 1 . 1 28 28 THR H H 1 8.108 0.002 . 1 . . 61 . . 198 THR H . 51113 1 111 . 1 . 1 28 28 THR C C 13 174.278 0.006 . 1 . . 276 . . 198 THR C . 51113 1 112 . 1 . 1 28 28 THR CA C 13 61.999 0.027 . 1 . . 445 . . 198 THR CA . 51113 1 113 . 1 . 1 28 28 THR CB C 13 69.665 0.022 . 1 . . 150 . . 198 THR CB . 51113 1 114 . 1 . 1 28 28 THR N N 15 115.224 0.018 . 1 . . 62 . . 198 THR N . 51113 1 115 . 1 . 1 29 29 GLN H H 1 8.233 0.002 . 1 . . 95 . . 199 GLN H . 51113 1 116 . 1 . 1 29 29 GLN C C 13 173.88 . . 1 . . 340 . . 199 GLN C . 51113 1 117 . 1 . 1 29 29 GLN CA C 13 53.72 . . 1 . . 218 . . 199 GLN CA . 51113 1 118 . 1 . 1 29 29 GLN CB C 13 28.993 . . 1 . . 217 . . 199 GLN CB . 51113 1 119 . 1 . 1 29 29 GLN N N 15 123.589 0.007 . 1 . . 96 . . 199 GLN N . 51113 1 120 . 1 . 1 30 30 PRO C C 13 177.012 0.004 . 1 . . 355 . . 200 PRO C . 51113 1 121 . 1 . 1 30 30 PRO CA C 13 63.315 0.002 . 1 . . 389 . . 200 PRO CA . 51113 1 122 . 1 . 1 30 30 PRO CB C 13 32.089 0.002 . 1 . . 388 . . 200 PRO CB . 51113 1 123 . 1 . 1 31 31 THR H H 1 8.251 0.002 . 1 . . 81 . . 201 THR H . 51113 1 124 . 1 . 1 31 31 THR C C 13 174.486 0.005 . 1 . . 341 . . 201 THR C . 51113 1 125 . 1 . 1 31 31 THR CA C 13 62.049 0.009 . 1 . . 446 . . 201 THR CA . 51113 1 126 . 1 . 1 31 31 THR CB C 13 70.089 0.043 . 1 . . 145 . . 201 THR CB . 51113 1 127 . 1 . 1 31 31 THR N N 15 114.152 0.015 . 1 . . 82 . . 201 THR N . 51113 1 128 . 1 . 1 32 32 SER H H 1 8.189 0.004 . 1 . . 111 . . 202 SER H . 51113 1 129 . 1 . 1 32 32 SER C C 13 174.121 0.008 . 1 . . 247 . . 202 SER C . 51113 1 130 . 1 . 1 32 32 SER CA C 13 58.427 0.036 . 1 . . 166 . . 202 SER CA . 51113 1 131 . 1 . 1 32 32 SER CB C 13 63.795 0.033 . 1 . . 165 . . 202 SER CB . 51113 1 132 . 1 . 1 32 32 SER N N 15 117.388 0.008 . 1 . . 112 . . 202 SER N . 51113 1 133 . 1 . 1 33 33 TYR H H 1 8.176 0.002 . 1 . . 26 . . 203 TYR H . 51113 1 134 . 1 . 1 33 33 TYR C C 13 175.42 0.007 . 1 . . 283 . . 203 TYR C . 51113 1 135 . 1 . 1 33 33 TYR CA C 13 57.973 0.036 . 1 . . 200 . . 203 TYR CA . 51113 1 136 . 1 . 1 33 33 TYR CB C 13 38.702 0.047 . 1 . . 199 . . 203 TYR CB . 51113 1 137 . 1 . 1 33 33 TYR N N 15 122.072 0.021 . 1 . . 27 . . 203 TYR N . 51113 1 138 . 1 . 1 34 34 ASP H H 1 8.214 0.003 . 1 . . 117 . . 204 ASP H . 51113 1 139 . 1 . 1 34 34 ASP C C 13 176.314 0.007 . 1 . . 265 . . 204 ASP C . 51113 1 140 . 1 . 1 34 34 ASP CA C 13 54.245 0.017 . 1 . . 198 . . 204 ASP CA . 51113 1 141 . 1 . 1 34 34 ASP CB C 13 41.216 0.074 . 1 . . 197 . . 204 ASP CB . 51113 1 142 . 1 . 1 34 34 ASP N N 15 121.792 0.004 . 1 . . 118 . . 204 ASP N . 51113 1 143 . 1 . 1 35 35 GLN H H 1 8.344 0.004 . 1 . . 16 . . 205 GLN H . 51113 1 144 . 1 . 1 35 35 GLN C C 13 176.51 0.002 . 1 . . 264 . . 205 GLN C . 51113 1 145 . 1 . 1 35 35 GLN CA C 13 56.409 0.022 . 1 . . 192 . . 205 GLN CA . 51113 1 146 . 1 . 1 35 35 GLN CB C 13 29.082 0.035 . 1 . . 191 . . 205 GLN CB . 51113 1 147 . 1 . 1 35 35 GLN N N 15 121.452 0.02 . 1 . . 17 . . 205 GLN N . 51113 1 148 . 1 . 1 36 36 SER H H 1 8.384 0.003 . 1 . . 73 . . 206 SER H . 51113 1 149 . 1 . 1 36 36 SER C C 13 174.993 0.001 . 1 . . 282 . . 206 SER C . 51113 1 150 . 1 . 1 36 36 SER CA C 13 59.32 0.01 . 1 . . 157 . . 206 SER CA . 51113 1 151 . 1 . 1 36 36 SER CB C 13 63.796 . . 1 . . 158 . . 206 SER CB . 51113 1 152 . 1 . 1 36 36 SER N N 15 116.354 0.004 . 1 . . 74 . . 206 SER N . 51113 1 153 . 1 . 1 37 37 SER H H 1 8.143 0.001 . 1 . . 284 . . 207 SER H . 51113 1 154 . 1 . 1 37 37 SER C C 13 174.461 0.056 . 1 . . 342 . . 207 SER C . 51113 1 155 . 1 . 1 37 37 SER CA C 13 58.932 0.014 . 1 . . 390 . . 207 SER CA . 51113 1 156 . 1 . 1 37 37 SER CB C 13 63.645 0.04 . 1 . . 391 . . 207 SER CB . 51113 1 157 . 1 . 1 37 37 SER N N 15 117.213 0.038 . 1 . . 285 . . 207 SER N . 51113 1 158 . 1 . 1 38 38 TYR H H 1 8.007 0.006 . 1 . . 18 . . 208 TYR H . 51113 1 159 . 1 . 1 38 38 TYR C C 13 176.033 0.011 . 1 . . 343 . . 208 TYR C . 51113 1 160 . 1 . 1 38 38 TYR CA C 13 58.484 0.077 . 1 . . 204 . . 208 TYR CA . 51113 1 161 . 1 . 1 38 38 TYR CB C 13 38.504 0.062 . 1 . . 203 . . 208 TYR CB . 51113 1 162 . 1 . 1 38 38 TYR N N 15 121.734 0.005 . 1 . . 19 . . 208 TYR N . 51113 1 163 . 1 . 1 39 39 SER H H 1 8.049 0.004 . 1 . . 11 . . 209 SER H . 51113 1 164 . 1 . 1 39 39 SER C C 13 174.539 0.014 . 1 . . 344 . . 209 SER C . 51113 1 165 . 1 . 1 39 39 SER CA C 13 58.614 0.063 . 1 . . 159 . . 209 SER CA . 51113 1 166 . 1 . 1 39 39 SER CB C 13 63.857 0.027 . 1 . . 160 . . 209 SER CB . 51113 1 167 . 1 . 1 39 39 SER N N 15 116.681 0.023 . 1 . . 12 . . 209 SER N . 51113 1 168 . 1 . 1 40 40 GLN H H 1 8.242 0.004 . 1 . . 257 . . 210 GLN H . 51113 1 169 . 1 . 1 40 40 GLN C C 13 175.986 0.003 . 1 . . 345 . . 210 GLN C . 51113 1 170 . 1 . 1 40 40 GLN CA C 13 56.159 0.042 . 1 . . 427 . . 210 GLN CA . 51113 1 171 . 1 . 1 40 40 GLN CB C 13 29.198 0.022 . 1 . . 426 . . 210 GLN CB . 51113 1 172 . 1 . 1 40 40 GLN N N 15 121.861 0.005 . 1 . . 258 . . 210 GLN N . 51113 1 173 . 1 . 1 41 41 GLN H H 1 8.258 0.002 . 1 . . 23 . . 211 GLN H . 51113 1 174 . 1 . 1 41 41 GLN C C 13 175.739 0 . 1 . . 346 . . 211 GLN C . 51113 1 175 . 1 . 1 41 41 GLN CA C 13 56.107 0.055 . 1 . . 429 . . 211 GLN CA . 51113 1 176 . 1 . 1 41 41 GLN CB C 13 29.259 0.031 . 1 . . 428 . . 211 GLN CB . 51113 1 177 . 1 . 1 41 41 GLN N N 15 120.406 0.014 . 1 . . 24 . . 211 GLN N . 51113 1 178 . 1 . 1 42 42 ASN H H 1 8.375 0.005 . 1 . . 85 . . 212 ASN H . 51113 1 179 . 1 . 1 42 42 ASN C C 13 175.34 0.01 . 1 . . 260 . . 212 ASN C . 51113 1 180 . 1 . 1 42 42 ASN CA C 13 53.349 0.035 . 1 . . 170 . . 212 ASN CA . 51113 1 181 . 1 . 1 42 42 ASN CB C 13 38.825 0.043 . 1 . . 169 . . 212 ASN CB . 51113 1 182 . 1 . 1 42 42 ASN N N 15 119.444 0.005 . 1 . . 86 . . 212 ASN N . 51113 1 183 . 1 . 1 43 43 THR H H 1 8.022 0.001 . 1 . . 59 . . 213 THR H . 51113 1 184 . 1 . 1 43 43 THR C C 13 174.382 0.005 . 1 . . 261 . . 213 THR C . 51113 1 185 . 1 . 1 43 43 THR CA C 13 62.074 0.004 . 1 . . 143 . . 213 THR CA . 51113 1 186 . 1 . 1 43 43 THR CB C 13 69.765 0.063 . 1 . . 144 . . 213 THR CB . 51113 1 187 . 1 . 1 43 43 THR N N 15 113.943 0.019 . 1 . . 60 . . 213 THR N . 51113 1 188 . 1 . 1 44 44 TYR H H 1 8.161 0.003 . 1 . . 67 . . 214 TYR H . 51113 1 189 . 1 . 1 44 44 TYR C C 13 176.306 0.008 . 1 . . 288 . . 214 TYR C . 51113 1 190 . 1 . 1 44 44 TYR CA C 13 58.349 0.047 . 1 . . 431 . . 214 TYR CA . 51113 1 191 . 1 . 1 44 44 TYR CB C 13 38.585 0.023 . 1 . . 430 . . 214 TYR CB . 51113 1 192 . 1 . 1 44 44 TYR N N 15 122.036 0.007 . 1 . . 68 . . 214 TYR N . 51113 1 193 . 1 . 1 45 45 GLY H H 1 8.209 0.002 . 1 . . 41 . . 215 GLY H . 51113 1 194 . 1 . 1 45 45 GLY C C 13 173.621 0.016 . 1 . . 305 . . 215 GLY C . 51113 1 195 . 1 . 1 45 45 GLY CA C 13 45.162 0.079 . 1 . . 136 . . 215 GLY CA . 51113 1 196 . 1 . 1 45 45 GLY N N 15 110.407 0.025 . 1 . . 42 . . 215 GLY N . 51113 1 197 . 1 . 1 46 46 GLN H H 1 8.063 0.003 . 1 . . 65 . . 216 GLN H . 51113 1 198 . 1 . 1 46 46 GLN C C 13 174.144 . . 1 . . 306 . . 216 GLN C . 51113 1 199 . 1 . 1 46 46 GLN CA C 13 53.672 . . 1 . . 176 . . 216 GLN CA . 51113 1 200 . 1 . 1 46 46 GLN CB C 13 28.922 . . 1 . . 175 . . 216 GLN CB . 51113 1 201 . 1 . 1 46 46 GLN N N 15 120.343 0.015 . 1 . . 66 . . 216 GLN N . 51113 1 202 . 1 . 1 47 47 PRO C C 13 177.021 0.016 . 1 . . 359 . . 217 PRO C . 51113 1 203 . 1 . 1 47 47 PRO CA C 13 63.342 0.002 . 1 . . 433 . . 217 PRO CA . 51113 1 204 . 1 . 1 47 47 PRO CB C 13 32.085 0.061 . 1 . . 432 . . 217 PRO CB . 51113 1 205 . 1 . 1 48 48 SER H H 1 8.42 0.002 . 1 . . 5 . . 218 SER H . 51113 1 206 . 1 . 1 48 48 SER C C 13 174.658 0.083 . 1 . . 347 . . 218 SER C . 51113 1 207 . 1 . 1 48 48 SER CA C 13 58.651 0.059 . 1 . . 155 . . 218 SER CA . 51113 1 208 . 1 . 1 48 48 SER CB C 13 63.794 0.048 . 1 . . 156 . . 218 SER CB . 51113 1 209 . 1 . 1 48 48 SER N N 15 115.814 0.017 . 1 . . 6 . . 218 SER N . 51113 1 210 . 1 . 1 49 49 SER H H 1 8.255 0.006 . 1 . . 307 . . 219 SER H . 51113 1 211 . 1 . 1 49 49 SER C C 13 174.238 0.024 . 1 . . 437 . . 219 SER C . 51113 1 212 . 1 . 1 49 49 SER CA C 13 58.476 0.056 . 1 . . 441 . . 219 SER CA . 51113 1 213 . 1 . 1 49 49 SER CB C 13 63.765 0.046 . 1 . . 412 . . 219 SER CB . 51113 1 214 . 1 . 1 49 49 SER N N 15 117.408 0.042 . 1 . . 308 . . 219 SER N . 51113 1 215 . 1 . 1 50 50 TYR H H 1 8.139 0.002 . 1 . . 107 . . 220 TYR H . 51113 1 216 . 1 . 1 50 50 TYR C C 13 176.43 0.005 . 1 . . 360 . . 220 TYR C . 51113 1 217 . 1 . 1 50 50 TYR CA C 13 58.404 0.047 . 1 . . 407 . . 220 TYR CA . 51113 1 218 . 1 . 1 50 50 TYR CB C 13 38.589 0.036 . 1 . . 201 . . 220 TYR CB . 51113 1 219 . 1 . 1 50 50 TYR N N 15 121.877 0.009 . 1 . . 108 . . 220 TYR N . 51113 1 220 . 1 . 1 51 51 GLY H H 1 8.243 0.002 . 1 . . 83 . . 221 GLY H . 51113 1 221 . 1 . 1 51 51 GLY C C 13 174.146 0.004 . 1 . . 356 . . 221 GLY C . 51113 1 222 . 1 . 1 51 51 GLY CA C 13 45.354 0.021 . 1 . . 137 . . 221 GLY CA . 51113 1 223 . 1 . 1 51 51 GLY N N 15 110.424 0.012 . 1 . . 84 . . 221 GLY N . 51113 1 224 . 1 . 1 52 52 GLN H H 1 8.14 0.002 . 1 . . 15 . . 222 GLN H . 51113 1 225 . 1 . 1 52 52 GLN C C 13 176.163 0.002 . 1 . . 246 . . 222 GLN C . 51113 1 226 . 1 . 1 52 52 GLN CA C 13 55.938 0.023 . 1 . . 172 . . 222 GLN CA . 51113 1 227 . 1 . 1 52 52 GLN CB C 13 29.32 0.048 . 1 . . 171 . . 222 GLN CB . 51113 1 228 . 1 . 1 52 52 GLN N N 15 119.751 0.024 . 1 . . 248 . . 222 GLN N . 51113 1 229 . 1 . 1 53 53 GLN H H 1 8.459 0.001 . 1 . . 57 . . 223 GLN H . 51113 1 230 . 1 . 1 53 53 GLN C C 13 176.102 0.002 . 1 . . 362 . . 223 GLN C . 51113 1 231 . 1 . 1 53 53 GLN CA C 13 56.019 0.005 . 1 . . 420 . . 223 GLN CA . 51113 1 232 . 1 . 1 53 53 GLN CB C 13 29.323 0.031 . 1 . . 424 . . 223 GLN CB . 51113 1 233 . 1 . 1 53 53 GLN N N 15 121.34 0.019 . 1 . . 58 . . 223 GLN N . 51113 1 234 . 1 . 1 54 54 SER H H 1 8.344 0.002 . 1 . . 313 . . 224 SER H . 51113 1 235 . 1 . 1 54 54 SER C C 13 174.57 0.009 . 1 . . 367 . . 224 SER C . 51113 1 236 . 1 . 1 54 54 SER CA C 13 58.543 0.027 . 1 . . 419 . . 224 SER CA . 51113 1 237 . 1 . 1 54 54 SER CB C 13 63.771 0.015 . 1 . . 408 . . 224 SER CB . 51113 1 238 . 1 . 1 54 54 SER N N 15 116.834 0.036 . 1 . . 314 . . 224 SER N . 51113 1 239 . 1 . 1 55 55 SER H H 1 8.256 0.004 . 1 . . 317 . . 225 SER H . 51113 1 240 . 1 . 1 55 55 SER C C 13 174.234 0.024 . 1 . . 436 . . 225 SER C . 51113 1 241 . 1 . 1 55 55 SER CA C 13 58.49 0.049 . 1 . . 440 . . 225 SER CA . 51113 1 242 . 1 . 1 55 55 SER CB C 13 63.748 0.022 . 1 . . 413 . . 225 SER CB . 51113 1 243 . 1 . 1 55 55 SER N N 15 117.417 0.032 . 1 . . 318 . . 225 SER N . 51113 1 244 . 1 . 1 56 56 TYR H H 1 8.14 0.002 . 1 . . 295 . . 226 TYR H . 51113 1 245 . 1 . 1 56 56 TYR C C 13 176.411 0.004 . 1 . . 375 . . 226 TYR C . 51113 1 246 . 1 . 1 56 56 TYR CA C 13 58.422 0.017 . 1 . . 416 . . 226 TYR CA . 51113 1 247 . 1 . 1 56 56 TYR CB C 13 38.59 0.022 . 1 . . 417 . . 226 TYR CB . 51113 1 248 . 1 . 1 56 56 TYR N N 15 121.868 0.005 . 1 . . 296 . . 226 TYR N . 51113 1 249 . 1 . 1 57 57 GLY H H 1 8.244 0.001 . 1 . . 291 . . 227 GLY H . 51113 1 250 . 1 . 1 57 57 GLY C C 13 174.142 0.007 . 1 . . 357 . . 227 GLY C . 51113 1 251 . 1 . 1 57 57 GLY CA C 13 45.338 0.005 . 1 . . 405 . . 227 GLY CA . 51113 1 252 . 1 . 1 57 57 GLY N N 15 110.414 0.001 . 1 . . 292 . . 227 GLY N . 51113 1 253 . 1 . 1 58 58 GLN H H 1 8.141 0.003 . 1 . . 309 . . 228 GLN H . 51113 1 254 . 1 . 1 58 58 GLN C C 13 176.158 0.005 . 1 . . 361 . . 228 GLN C . 51113 1 255 . 1 . 1 58 58 GLN CA C 13 55.904 0.026 . 1 . . 423 . . 228 GLN CA . 51113 1 256 . 1 . 1 58 58 GLN CB C 13 29.377 0.047 . 1 . . 422 . . 228 GLN CB . 51113 1 257 . 1 . 1 58 58 GLN N N 15 119.718 0.001 . 1 . . 310 . . 228 GLN N . 51113 1 258 . 1 . 1 59 59 GLN H H 1 8.46 0.002 . 1 . . 311 . . 229 GLN H . 51113 1 259 . 1 . 1 59 59 GLN C C 13 176.096 0.004 . 1 . . 363 . . 229 GLN C . 51113 1 260 . 1 . 1 59 59 GLN CA C 13 56.095 0.042 . 1 . . 421 . . 229 GLN CA . 51113 1 261 . 1 . 1 59 59 GLN CB C 13 29.301 . . 1 . . 425 . . 229 GLN CB . 51113 1 262 . 1 . 1 59 59 GLN N N 15 121.347 0.016 . 1 . . 312 . . 229 GLN N . 51113 1 263 . 1 . 1 60 60 SER H H 1 8.345 0.002 . 1 . . 315 . . 230 SER H . 51113 1 264 . 1 . 1 60 60 SER C C 13 174.567 0.012 . 1 . . 368 . . 230 SER C . 51113 1 265 . 1 . 1 60 60 SER CA C 13 58.545 0.046 . 1 . . 410 . . 230 SER CA . 51113 1 266 . 1 . 1 60 60 SER CB C 13 63.743 0.033 . 1 . . 409 . . 230 SER CB . 51113 1 267 . 1 . 1 60 60 SER N N 15 116.829 0.035 . 1 . . 316 . . 230 SER N . 51113 1 268 . 1 . 1 61 61 SER H H 1 8.257 0.004 . 1 . . 319 . . 231 SER H . 51113 1 269 . 1 . 1 61 61 SER C C 13 174.233 0.025 . 1 . . 438 . . 231 SER C . 51113 1 270 . 1 . 1 61 61 SER CA C 13 58.531 0.069 . 1 . . 439 . . 231 SER CA . 51113 1 271 . 1 . 1 61 61 SER CB C 13 63.746 0.039 . 1 . . 414 . . 231 SER CB . 51113 1 272 . 1 . 1 61 61 SER N N 15 117.417 0.032 . 1 . . 320 . . 231 SER N . 51113 1 273 . 1 . 1 62 62 TYR H H 1 8.14 0.002 . 1 . . 297 . . 232 TYR H . 51113 1 274 . 1 . 1 62 62 TYR C C 13 176.404 0.011 . 1 . . 376 . . 232 TYR C . 51113 1 275 . 1 . 1 62 62 TYR CA C 13 58.424 0.025 . 1 . . 415 . . 232 TYR CA . 51113 1 276 . 1 . 1 62 62 TYR CB C 13 38.6 0.036 . 1 . . 418 . . 232 TYR CB . 51113 1 277 . 1 . 1 62 62 TYR N N 15 121.868 0.005 . 1 . . 298 . . 232 TYR N . 51113 1 278 . 1 . 1 63 63 GLY H H 1 8.243 0.001 . 1 . . 293 . . 233 GLY H . 51113 1 279 . 1 . 1 63 63 GLY C C 13 173.929 0.008 . 1 . . 358 . . 233 GLY C . 51113 1 280 . 1 . 1 63 63 GLY CA C 13 45.375 0.039 . 1 . . 406 . . 233 GLY CA . 51113 1 281 . 1 . 1 63 63 GLY N N 15 110.423 0.028 . 1 . . 294 . . 233 GLY N . 51113 1 282 . 1 . 1 64 64 GLN H H 1 8.104 0.002 . 1 . . 91 . . 234 GLN H . 51113 1 283 . 1 . 1 64 64 GLN C C 13 175.764 0.009 . 1 . . 263 . . 234 GLN C . 51113 1 284 . 1 . 1 64 64 GLN CA C 13 55.698 0.009 . 1 . . 173 . . 234 GLN CA . 51113 1 285 . 1 . 1 64 64 GLN CB C 13 29.45 0.005 . 1 . . 174 . . 234 GLN CB . 51113 1 286 . 1 . 1 64 64 GLN N N 15 119.599 0.024 . 1 . . 92 . . 234 GLN N . 51113 1 287 . 1 . 1 65 65 GLN H H 1 8.411 0.004 . 1 . . 77 . . 235 GLN H . 51113 1 288 . 1 . 1 65 65 GLN C C 13 173.462 . . 1 . . 262 . . 235 GLN C . 51113 1 289 . 1 . 1 65 65 GLN CA C 13 53.706 . . 1 . . 215 . . 235 GLN CA . 51113 1 290 . 1 . 1 65 65 GLN CB C 13 28.799 . . 1 . . 216 . . 235 GLN CB . 51113 1 291 . 1 . 1 65 65 GLN N N 15 122.734 0.005 . 1 . . 78 . . 235 GLN N . 51113 1 292 . 1 . 1 67 67 PRO C C 13 176.993 0.005 . 1 . . 365 . . 237 PRO C . 51113 1 293 . 1 . 1 67 67 PRO CA C 13 63.112 0.042 . 1 . . 404 . . 237 PRO CA . 51113 1 294 . 1 . 1 67 67 PRO CB C 13 31.97 0.005 . 1 . . 403 . . 237 PRO CB . 51113 1 295 . 1 . 1 68 68 THR H H 1 8.099 0.001 . 1 . . 113 . . 238 THR H . 51113 1 296 . 1 . 1 68 68 THR C C 13 174.24 0.003 . 1 . . 364 . . 238 THR C . 51113 1 297 . 1 . 1 68 68 THR CA C 13 62.035 0.028 . 1 . . 141 . . 238 THR CA . 51113 1 298 . 1 . 1 68 68 THR CB C 13 69.841 0.035 . 1 . . 142 . . 238 THR CB . 51113 1 299 . 1 . 1 68 68 THR N N 15 113.66 0.014 . 1 . . 114 . . 238 THR N . 51113 1 300 . 1 . 1 69 69 SER H H 1 8.097 0.002 . 1 . . 55 . . 239 SER H . 51113 1 301 . 1 . 1 69 69 SER C C 13 173.25 0.01 . 1 . . 366 . . 239 SER C . 51113 1 302 . 1 . 1 69 69 SER CA C 13 58.062 0.062 . 1 . . 392 . . 239 SER CA . 51113 1 303 . 1 . 1 69 69 SER CB C 13 63.992 0.034 . 1 . . 393 . . 239 SER CB . 51113 1 304 . 1 . 1 69 69 SER N N 15 117.636 0.006 . 1 . . 56 . . 239 SER N . 51113 1 305 . 1 . 1 70 70 TYR H H 1 8.124 0.005 . 1 . . 49 . . 240 TYR H . 51113 1 306 . 1 . 1 70 70 TYR C C 13 173.375 . . 1 . . 369 . . 240 TYR C . 51113 1 307 . 1 . 1 70 70 TYR CA C 13 55.932 . . 1 . . 259 . . 240 TYR CA . 51113 1 308 . 1 . 1 70 70 TYR CB C 13 38.281 . . 1 . . 402 . . 240 TYR CB . 51113 1 309 . 1 . 1 70 70 TYR N N 15 122.638 0.014 . 1 . . 50 . . 240 TYR N . 51113 1 310 . 1 . 1 72 72 PRO C C 13 177.026 0.006 . 1 . . 370 . . 242 PRO C . 51113 1 311 . 1 . 1 72 72 PRO CA C 13 63.068 0.034 . 1 . . 400 . . 242 PRO CA . 51113 1 312 . 1 . 1 72 72 PRO CB C 13 32.066 0.04 . 1 . . 401 . . 242 PRO CB . 51113 1 313 . 1 . 1 73 73 GLN H H 1 8.541 0.003 . 1 . . 13 . . 243 GLN H . 51113 1 314 . 1 . 1 73 73 GLN C C 13 176.276 0.004 . 1 . . 244 . . 243 GLN C . 51113 1 315 . 1 . 1 73 73 GLN CA C 13 55.765 0.063 . 1 . . 186 . . 243 GLN CA . 51113 1 316 . 1 . 1 73 73 GLN CB C 13 29.284 0.052 . 1 . . 185 . . 243 GLN CB . 51113 1 317 . 1 . 1 73 73 GLN N N 15 120.499 0.009 . 1 . . 14 . . 243 GLN N . 51113 1 318 . 1 . 1 74 74 THR H H 1 8.178 0.004 . 1 . . 43 . . 244 THR H . 51113 1 319 . 1 . 1 74 74 THR C C 13 174.998 0.02 . 1 . . 243 . . 244 THR C . 51113 1 320 . 1 . 1 74 74 THR CA C 13 62.018 0.004 . 1 . . 146 . . 244 THR CA . 51113 1 321 . 1 . 1 74 74 THR CB C 13 69.969 0.067 . 1 . . 147 . . 244 THR CB . 51113 1 322 . 1 . 1 74 74 THR N N 15 114.831 0.021 . 1 . . 44 . . 244 THR N . 51113 1 323 . 1 . 1 75 75 GLY H H 1 8.402 0.001 . 1 . . 75 . . 245 GLY H . 51113 1 324 . 1 . 1 75 75 GLY C C 13 174.047 0.008 . 1 . . 242 . . 245 GLY C . 51113 1 325 . 1 . 1 75 75 GLY CA C 13 45.35 0.029 . 1 . . 135 . . 245 GLY CA . 51113 1 326 . 1 . 1 75 75 GLY N N 15 111.028 0.017 . 1 . . 76 . . 245 GLY N . 51113 1 327 . 1 . 1 76 76 SER H H 1 8.144 0.002 . 1 . . 9 . . 246 SER H . 51113 1 328 . 1 . 1 76 76 SER C C 13 174.172 0.004 . 1 . . 271 . . 246 SER C . 51113 1 329 . 1 . 1 76 76 SER CA C 13 58.415 0.001 . 1 . . 448 . . 246 SER CA . 51113 1 330 . 1 . 1 76 76 SER CB C 13 63.86 0.019 . 1 . . 151 . . 246 SER CB . 51113 1 331 . 1 . 1 76 76 SER N N 15 115.52 0.011 . 1 . . 10 . . 246 SER N . 51113 1 332 . 1 . 1 77 77 TYR H H 1 8.194 0.001 . 1 . . 240 . . 247 TYR H . 51113 1 333 . 1 . 1 77 77 TYR C C 13 175.761 0.002 . 1 . . 371 . . 247 TYR C . 51113 1 334 . 1 . 1 77 77 TYR CA C 13 58.007 0.022 . 1 . . 270 . . 247 TYR CA . 51113 1 335 . 1 . 1 77 77 TYR CB C 13 38.782 0.066 . 1 . . 269 . . 247 TYR CB . 51113 1 336 . 1 . 1 77 77 TYR N N 15 122.047 0 . 1 . . 241 . . 247 TYR N . 51113 1 337 . 1 . 1 78 78 SER H H 1 8.142 0.004 . 1 . . 93 . . 248 SER H . 51113 1 338 . 1 . 1 78 78 SER C C 13 174.013 0.003 . 1 . . 239 . . 248 SER C . 51113 1 339 . 1 . 1 78 78 SER CA C 13 58.402 0.07 . 1 . . 163 . . 248 SER CA . 51113 1 340 . 1 . 1 78 78 SER CB C 13 63.849 0.003 . 1 . . 164 . . 248 SER CB . 51113 1 341 . 1 . 1 78 78 SER N N 15 117.242 0.027 . 1 . . 94 . . 248 SER N . 51113 1 342 . 1 . 1 79 79 GLN H H 1 8.222 0.004 . 1 . . 45 . . 249 GLN H . 51113 1 343 . 1 . 1 79 79 GLN C C 13 175.162 0.002 . 1 . . 233 . . 249 GLN C . 51113 1 344 . 1 . 1 79 79 GLN CA C 13 55.613 0.015 . 1 . . 237 . . 249 GLN CA . 51113 1 345 . 1 . 1 79 79 GLN CB C 13 29.666 0.016 . 1 . . 236 . . 249 GLN CB . 51113 1 346 . 1 . 1 79 79 GLN N N 15 122.026 0.038 . 1 . . 46 . . 249 GLN N . 51113 1 347 . 1 . 1 80 80 ALA H H 1 8.293 0.004 . 1 . . 38 . . 250 ALA H . 51113 1 348 . 1 . 1 80 80 ALA C C 13 175.534 . . 1 . . 235 . . 250 ALA C . 51113 1 349 . 1 . 1 80 80 ALA CA C 13 50.718 . . 1 . . 223 . . 250 ALA CA . 51113 1 350 . 1 . 1 80 80 ALA CB C 13 18.128 . . 1 . . 222 . . 250 ALA CB . 51113 1 351 . 1 . 1 80 80 ALA N N 15 126.72 0.017 . 1 . . 238 . . 250 ALA N . 51113 1 352 . 1 . 1 81 81 PRO C C 13 177.089 0.003 . 1 . . 303 . . 251 PRO C . 51113 1 353 . 1 . 1 81 81 PRO CA C 13 63.316 0.065 . 1 . . 272 . . 251 PRO CA . 51113 1 354 . 1 . 1 81 81 PRO CB C 13 32.02 0.004 . 1 . . 304 . . 251 PRO CB . 51113 1 355 . 1 . 1 82 82 SER H H 1 8.344 0.004 . 1 . . 123 . . 252 SER H . 51113 1 356 . 1 . 1 82 82 SER C C 13 174.803 0.015 . 1 . . 251 . . 252 SER C . 51113 1 357 . 1 . 1 82 82 SER CA C 13 58.584 0.067 . 1 . . 273 . . 252 SER CA . 51113 1 358 . 1 . 1 82 82 SER CB C 13 63.819 0.046 . 1 . . 154 . . 252 SER CB . 51113 1 359 . 1 . 1 82 82 SER N N 15 115.618 0.016 . 1 . . 124 . . 252 SER N . 51113 1 360 . 1 . 1 83 83 GLN H H 1 8.398 0.003 . 1 . . 20 . . 253 GLN H . 51113 1 361 . 1 . 1 83 83 GLN C C 13 175.709 0.007 . 1 . . 252 . . 253 GLN C . 51113 1 362 . 1 . 1 83 83 GLN CA C 13 56.248 0.069 . 1 . . 194 . . 253 GLN CA . 51113 1 363 . 1 . 1 83 83 GLN CB C 13 29.243 0.023 . 1 . . 193 . . 253 GLN CB . 51113 1 364 . 1 . 1 83 83 GLN N N 15 121.851 0.015 . 1 . . 21 . . 253 GLN N . 51113 1 365 . 1 . 1 84 84 TYR H H 1 8.114 0.003 . 1 . . 39 . . 254 TYR H . 51113 1 366 . 1 . 1 84 84 TYR C C 13 175.91 0.009 . 1 . . 253 . . 254 TYR C . 51113 1 367 . 1 . 1 84 84 TYR CA C 13 58.039 0.034 . 1 . . 180 . . 254 TYR CA . 51113 1 368 . 1 . 1 84 84 TYR CB C 13 38.66 0.064 . 1 . . 179 . . 254 TYR CB . 51113 1 369 . 1 . 1 84 84 TYR N N 15 120.436 0.007 . 1 . . 40 . . 254 TYR N . 51113 1 370 . 1 . 1 85 85 SER H H 1 8.089 0.004 . 1 . . 63 . . 255 SER H . 51113 1 371 . 1 . 1 85 85 SER C C 13 174.382 0.007 . 1 . . 254 . . 255 SER C . 51113 1 372 . 1 . 1 85 85 SER CA C 13 58.526 0.05 . 1 . . 162 . . 255 SER CA . 51113 1 373 . 1 . 1 85 85 SER CB C 13 63.867 0.024 . 1 . . 161 . . 255 SER CB . 51113 1 374 . 1 . 1 85 85 SER N N 15 117.134 0.013 . 1 . . 64 . . 255 SER N . 51113 1 375 . 1 . 1 86 86 GLN H H 1 8.34 0.004 . 1 . . 7 . . 256 GLN H . 51113 1 376 . 1 . 1 86 86 GLN C C 13 176.006 0.009 . 1 . . 255 . . 256 GLN C . 51113 1 377 . 1 . 1 86 86 GLN CA C 13 56.134 0.029 . 1 . . 195 . . 256 GLN CA . 51113 1 378 . 1 . 1 86 86 GLN CB C 13 29.272 0.033 . 1 . . 196 . . 256 GLN CB . 51113 1 379 . 1 . 1 86 86 GLN N N 15 122.118 0.017 . 1 . . 8 . . 256 GLN N . 51113 1 380 . 1 . 1 87 87 GLN H H 1 8.351 0.003 . 1 . . 115 . . 257 GLN H . 51113 1 381 . 1 . 1 87 87 GLN C C 13 176.099 0.005 . 1 . . 256 . . 257 GLN C . 51113 1 382 . 1 . 1 87 87 GLN CA C 13 56.054 0.056 . 1 . . 399 . . 257 GLN CA . 51113 1 383 . 1 . 1 87 87 GLN CB C 13 29.38 0.054 . 1 . . 398 . . 257 GLN CB . 51113 1 384 . 1 . 1 87 87 GLN N N 15 121.036 0.006 . 1 . . 116 . . 257 GLN N . 51113 1 385 . 1 . 1 88 88 SER H H 1 8.344 0.004 . 1 . . 277 . . 258 SER H . 51113 1 386 . 1 . 1 88 88 SER C C 13 174.732 0.002 . 1 . . 302 . . 258 SER C . 51113 1 387 . 1 . 1 88 88 SER CA C 13 58.514 0.033 . 1 . . 397 . . 258 SER CA . 51113 1 388 . 1 . 1 88 88 SER CB C 13 63.803 0.018 . 1 . . 443 . . 258 SER CB . 51113 1 389 . 1 . 1 88 88 SER N N 15 116.851 0.049 . 1 . . 278 . . 258 SER N . 51113 1 390 . 1 . 1 89 89 SER H H 1 8.363 0.001 . 1 . . 121 . . 259 SER H . 51113 1 391 . 1 . 1 89 89 SER C C 13 174.552 0.003 . 1 . . 301 . . 259 SER C . 51113 1 392 . 1 . 1 89 89 SER CA C 13 58.731 0.055 . 1 . . 395 . . 259 SER CA . 51113 1 393 . 1 . 1 89 89 SER CB C 13 63.881 0.069 . 1 . . 396 . . 259 SER CB . 51113 1 394 . 1 . 1 89 89 SER N N 15 117.776 0.001 . 1 . . 122 . . 259 SER N . 51113 1 395 . 1 . 1 90 90 SER H H 1 8.245 0.01 . 1 . . 51 . . 260 SER H . 51113 1 396 . 1 . 1 90 90 SER C C 13 174.149 0.017 . 1 . . 348 . . 260 SER C . 51113 1 397 . 1 . 1 90 90 SER CA C 13 58.528 0.078 . 1 . . 411 . . 260 SER CA . 51113 1 398 . 1 . 1 90 90 SER CB C 13 63.775 0.037 . 1 . . 394 . . 260 SER CB . 51113 1 399 . 1 . 1 90 90 SER N N 15 117.33 0.057 . 1 . . 52 . . 260 SER N . 51113 1 400 . 1 . 1 91 91 TYR H H 1 8.1 0.004 . 1 . . 87 . . 261 TYR H . 51113 1 401 . 1 . 1 91 91 TYR C C 13 176.343 0.005 . 1 . . 300 . . 261 TYR C . 51113 1 402 . 1 . 1 91 91 TYR CA C 13 58.472 0.011 . 1 . . 442 . . 261 TYR CA . 51113 1 403 . 1 . 1 91 91 TYR CB C 13 38.678 0.036 . 1 . . 202 . . 261 TYR CB . 51113 1 404 . 1 . 1 91 91 TYR N N 15 122.02 0.019 . 1 . . 88 . . 261 TYR N . 51113 1 405 . 1 . 1 92 92 GLY H H 1 8.255 0.003 . 1 . . 47 . . 262 GLY H . 51113 1 406 . 1 . 1 92 92 GLY C C 13 173.832 0.002 . 1 . . 299 . . 262 GLY C . 51113 1 407 . 1 . 1 92 92 GLY CA C 13 45.25 0.06 . 1 . . 138 . . 262 GLY CA . 51113 1 408 . 1 . 1 92 92 GLY N N 15 110.843 0.009 . 1 . . 48 . . 262 GLY N . 51113 1 409 . 1 . 1 93 93 GLN H H 1 8.086 0.003 . 1 . . 286 . . 263 GLN H . 51113 1 410 . 1 . 1 93 93 GLN C C 13 175.155 0.004 . 1 . . 372 . . 263 GLN C . 51113 1 411 . 1 . 1 93 93 GLN CA C 13 55.869 0.036 . 1 . . 178 . . 263 GLN CA . 51113 1 412 . 1 . 1 93 93 GLN CB C 13 29.551 0.067 . 1 . . 177 . . 263 GLN CB . 51113 1 413 . 1 . 1 93 93 GLN N N 15 120.122 0.011 . 1 . . 287 . . 263 GLN N . 51113 1 414 . 1 . 1 94 94 GLN H H 1 8.07 0.001 . 1 . . 125 . . 264 GLN H . 51113 1 415 . 1 . 1 94 94 GLN C C 13 180.476 . . 1 . . 232 . . 264 GLN C . 51113 1 416 . 1 . 1 94 94 GLN CA C 13 57.413 . . 1 . . 225 . . 264 GLN CA . 51113 1 417 . 1 . 1 94 94 GLN CB C 13 30.264 . . 1 . . 224 . . 264 GLN CB . 51113 1 418 . 1 . 1 94 94 GLN N N 15 127.025 0.023 . 1 . . 234 . . 264 GLN N . 51113 1 stop_ save_