data_25078 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25078 _Entry.Title ; CSD1-UNR bound to msl2 mRNA and Sex-lethal ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-07-04 _Entry.Accession_date 2014-07-04 _Entry.Last_release_date 2014-11-07 _Entry.Original_release_date 2014-11-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Cold shock domain 1 (CSD1) of protein Upstream-of-N-Ras (UNR) in complex with Sex-lethal (SXL) and msl2 mRNA' _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.Entry_ID 1 Janosch Hennig . . . 25078 2 Iren Wang . . . 25078 3 Michael Sattler . . . 25078 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25078 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 64 25078 '13C chemical shifts' 91 25078 '15N chemical shifts' 62 25078 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-11-07 2014-07-04 original author . 25078 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25059 'CSD1 in the free state' 25078 BMRB 25060 'CSD1 bound to RNA' 25078 BMRB 25072 SXL-UNR-msl2-mRNA 25078 PDB 4QQB 'crystal structure of CSD1 in complex with SXL and msl2 mRNA' 25078 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25078 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25209665 _Citation.Full_citation . _Citation.Title 'Structural basis for the assembly of the Sxl-Unr translation regulatory complex' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Nature _Citation.Journal_name_full . _Citation.Journal_volume 515 _Citation.Journal_issue 7526 _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 287 _Citation.Page_last 290 _Citation.Year 2014 _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.Entry_ID _Citation_author.Citation_ID 1 Janosch Hennig . . . 25078 1 2 Cristina Militti . . . 25078 1 3 Grzegorz Popowicz . M. . 25078 1 4 Iren Wang . . . 25078 1 5 Miriam Sonntag . . . 25078 1 6 Arie Geerlof . . . 25078 1 7 Frank Gabel . . . 25078 1 8 Fatima Gebauer . . . 25078 1 9 Michael Sattler . . . 25078 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25078 _Assembly.ID 1 _Assembly.Name 'CSD1-SXL-18-mer msl2 mRNA' _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 33500 _Assembly.Enzyme_commission_number . _Assembly.Details 'The assembly contains SXL-RRM1-RRM2 and 18-mer_RNA.' _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 CSD1 1 $UNR A . yes native no no . . . 25078 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 4QQB . . X-ray 2.8 . . 25078 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_UNR _Entity.Sf_category entity _Entity.Sf_framecode UNR _Entity.Entry_ID 25078 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name UNR _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 ; GAMATRETGIIEKLLHSYGF IQCCERQARLFFHFSQFSGN IDHLKIGDPVEFEMTYDRRT GKPIASQVSKIA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 181-252 _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 72 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment CSD1 _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 2015-11-25 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 no BMRB 25059 . dCSD1 . . . . . 100.00 72 100.00 100.00 1.92e-45 . . . . 25078 1 2 no BMRB 25060 . cold_shock_domain_1_of_upstream_of_N-ras . . . . . 100.00 72 100.00 100.00 1.92e-45 . . . . 25078 1 3 no PDB 4QQB . "Structural Basis For The Assembly Of The Sxl-unr Translation Regulatory Complex" . . . . . 100.00 72 100.00 100.00 1.92e-45 . . . . 25078 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'dosage compensation in Drosophila' 25078 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 1 181 GLY . 25078 1 2 182 ALA . 25078 1 3 183 MET . 25078 1 4 184 ALA . 25078 1 5 185 THR . 25078 1 6 186 ARG . 25078 1 7 187 GLU . 25078 1 8 188 THR . 25078 1 9 189 GLY . 25078 1 10 190 ILE . 25078 1 11 191 ILE . 25078 1 12 192 GLU . 25078 1 13 193 LYS . 25078 1 14 194 LEU . 25078 1 15 195 LEU . 25078 1 16 196 HIS . 25078 1 17 197 SER . 25078 1 18 198 TYR . 25078 1 19 199 GLY . 25078 1 20 200 PHE . 25078 1 21 201 ILE . 25078 1 22 202 GLN . 25078 1 23 203 CYS . 25078 1 24 204 CYS . 25078 1 25 205 GLU . 25078 1 26 206 ARG . 25078 1 27 207 GLN . 25078 1 28 208 ALA . 25078 1 29 209 ARG . 25078 1 30 210 LEU . 25078 1 31 211 PHE . 25078 1 32 212 PHE . 25078 1 33 213 HIS . 25078 1 34 214 PHE . 25078 1 35 215 SER . 25078 1 36 216 GLN . 25078 1 37 217 PHE . 25078 1 38 218 SER . 25078 1 39 219 GLY . 25078 1 40 220 ASN . 25078 1 41 221 ILE . 25078 1 42 222 ASP . 25078 1 43 223 HIS . 25078 1 44 224 LEU . 25078 1 45 225 LYS . 25078 1 46 226 ILE . 25078 1 47 227 GLY . 25078 1 48 228 ASP . 25078 1 49 229 PRO . 25078 1 50 230 VAL . 25078 1 51 231 GLU . 25078 1 52 232 PHE . 25078 1 53 233 GLU . 25078 1 54 234 MET . 25078 1 55 235 THR . 25078 1 56 236 TYR . 25078 1 57 237 ASP . 25078 1 58 238 ARG . 25078 1 59 239 ARG . 25078 1 60 240 THR . 25078 1 61 241 GLY . 25078 1 62 242 LYS . 25078 1 63 243 PRO . 25078 1 64 244 ILE . 25078 1 65 245 ALA . 25078 1 66 246 SER . 25078 1 67 247 GLN . 25078 1 68 248 VAL . 25078 1 69 249 SER . 25078 1 70 250 LYS . 25078 1 71 251 ILE . 25078 1 72 252 ALA . 25078 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 25078 1 . ALA 2 2 25078 1 . MET 3 3 25078 1 . ALA 4 4 25078 1 . THR 5 5 25078 1 . ARG 6 6 25078 1 . GLU 7 7 25078 1 . THR 8 8 25078 1 . GLY 9 9 25078 1 . ILE 10 10 25078 1 . ILE 11 11 25078 1 . GLU 12 12 25078 1 . LYS 13 13 25078 1 . LEU 14 14 25078 1 . LEU 15 15 25078 1 . HIS 16 16 25078 1 . SER 17 17 25078 1 . TYR 18 18 25078 1 . GLY 19 19 25078 1 . PHE 20 20 25078 1 . ILE 21 21 25078 1 . GLN 22 22 25078 1 . CYS 23 23 25078 1 . CYS 24 24 25078 1 . GLU 25 25 25078 1 . ARG 26 26 25078 1 . GLN 27 27 25078 1 . ALA 28 28 25078 1 . ARG 29 29 25078 1 . LEU 30 30 25078 1 . PHE 31 31 25078 1 . PHE 32 32 25078 1 . HIS 33 33 25078 1 . PHE 34 34 25078 1 . SER 35 35 25078 1 . GLN 36 36 25078 1 . PHE 37 37 25078 1 . SER 38 38 25078 1 . GLY 39 39 25078 1 . ASN 40 40 25078 1 . ILE 41 41 25078 1 . ASP 42 42 25078 1 . HIS 43 43 25078 1 . LEU 44 44 25078 1 . LYS 45 45 25078 1 . ILE 46 46 25078 1 . GLY 47 47 25078 1 . ASP 48 48 25078 1 . PRO 49 49 25078 1 . VAL 50 50 25078 1 . GLU 51 51 25078 1 . PHE 52 52 25078 1 . GLU 53 53 25078 1 . MET 54 54 25078 1 . THR 55 55 25078 1 . TYR 56 56 25078 1 . ASP 57 57 25078 1 . ARG 58 58 25078 1 . ARG 59 59 25078 1 . THR 60 60 25078 1 . GLY 61 61 25078 1 . LYS 62 62 25078 1 . PRO 63 63 25078 1 . ILE 64 64 25078 1 . ALA 65 65 25078 1 . SER 66 66 25078 1 . GLN 67 67 25078 1 . VAL 68 68 25078 1 . SER 69 69 25078 1 . LYS 70 70 25078 1 . ILE 71 71 25078 1 . ALA 72 72 25078 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25078 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $UNR . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . . . . . . . . . 25078 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 25078 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $UNR . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Bl21 . . . . . . . . . . . . . . . pTRX-CSD . . . . . . 25078 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25078 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _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 UNR '[U-13C; U-15N; U-2H]' . . 1 $UNR . . . 0.2 0.5 mM . . . . 25078 1 2 SXL-RRM1-RRM2 'natural abundance' . . . . . . . 0.2 0.5 mM . . . . 25078 1 3 '18-mer RNA' 'natural abundance' . . . . . . . 0.2 0.5 mM . . . . 25078 1 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 25078 1 5 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25078 1 6 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25078 1 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 25078 1 8 'sodium chloride' 'natural abundance' . . . . . . 90 . . % . . . . 25078 1 9 'sodium azide' 'natural abundance' . . . . . . 10 . . % . . . . 25078 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 25078 _Sample_condition_list.ID 1 _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 temperature 310 . K 25078 1 pH 6.0 . pH 25078 1 pressure 1 . atm 25078 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25078 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Fred Damberger' . . 25078 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25078 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25078 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25078 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 750 . . . 25078 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 25078 _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 $spectrometer_1 . . . . . . . . . . . . . . . . 25078 1 2 '3D TROSY-HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25078 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25078 _Chem_shift_reference.ID 1 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25078 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25078 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25078 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25078 _Assigned_chem_shift_list.ID 1 _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 $chemical_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' . . . 25078 1 2 '3D TROSY-HNCA' . . . 25078 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 MET H H 1 8.379 0.020 . 1 . . . . 183 MET H . 25078 1 2 . 1 1 3 3 MET C C 13 174.787 0.300 . 1 . . . . 183 MET C . 25078 1 3 . 1 1 3 3 MET CA C 13 54.591 0.300 . 1 . . . . 183 MET CA . 25078 1 4 . 1 1 3 3 MET N N 15 120.278 0.300 . 1 . . . . 183 MET N . 25078 1 5 . 1 1 4 4 ALA H H 1 8.649 0.020 . 1 . . . . 184 ALA H . 25078 1 6 . 1 1 4 4 ALA C C 13 177.149 0.300 . 1 . . . . 184 ALA C . 25078 1 7 . 1 1 4 4 ALA CA C 13 51.740 0.300 . 1 . . . . 184 ALA CA . 25078 1 8 . 1 1 4 4 ALA N N 15 130.004 0.300 . 1 . . . . 184 ALA N . 25078 1 9 . 1 1 5 5 THR H H 1 8.137 0.020 . 1 . . . . 185 THR H . 25078 1 10 . 1 1 5 5 THR CA C 13 61.672 0.300 . 1 . . . . 185 THR CA . 25078 1 11 . 1 1 5 5 THR N N 15 115.379 0.300 . 1 . . . . 185 THR N . 25078 1 12 . 1 1 7 7 GLU H H 1 8.505 0.020 . 1 . . . . 187 GLU H . 25078 1 13 . 1 1 7 7 GLU C C 13 173.191 0.300 . 1 . . . . 187 GLU C . 25078 1 14 . 1 1 7 7 GLU CA C 13 53.933 0.300 . 1 . . . . 187 GLU CA . 25078 1 15 . 1 1 7 7 GLU N N 15 121.132 0.300 . 1 . . . . 187 GLU N . 25078 1 16 . 1 1 8 8 THR H H 1 7.973 0.020 . 1 . . . . 188 THR H . 25078 1 17 . 1 1 8 8 THR CA C 13 60.012 0.300 . 1 . . . . 188 THR CA . 25078 1 18 . 1 1 8 8 THR N N 15 106.326 0.300 . 1 . . . . 188 THR N . 25078 1 19 . 1 1 9 9 GLY H H 1 9.048 0.020 . 1 . . . . 189 GLY H . 25078 1 20 . 1 1 9 9 GLY C C 13 170.891 0.300 . 1 . . . . 189 GLY C . 25078 1 21 . 1 1 9 9 GLY CA C 13 46.100 0.300 . 1 . . . . 189 GLY CA . 25078 1 22 . 1 1 9 9 GLY N N 15 109.427 0.300 . 1 . . . . 189 GLY N . 25078 1 23 . 1 1 10 10 ILE H H 1 8.626 0.020 . 1 . . . . 190 ILE H . 25078 1 24 . 1 1 10 10 ILE C C 13 176.383 0.300 . 1 . . . . 190 ILE C . 25078 1 25 . 1 1 10 10 ILE CA C 13 58.006 0.300 . 1 . . . . 190 ILE CA . 25078 1 26 . 1 1 10 10 ILE N N 15 118.776 0.300 . 1 . . . . 190 ILE N . 25078 1 27 . 1 1 11 11 ILE H H 1 8.503 0.020 . 1 . . . . 191 ILE H . 25078 1 28 . 1 1 11 11 ILE CA C 13 60.513 0.300 . 1 . . . . 191 ILE CA . 25078 1 29 . 1 1 11 11 ILE N N 15 124.579 0.300 . 1 . . . . 191 ILE N . 25078 1 30 . 1 1 12 12 GLU H H 1 9.048 0.020 . 1 . . . . 192 GLU H . 25078 1 31 . 1 1 12 12 GLU CA C 13 56.534 0.300 . 1 . . . . 192 GLU CA . 25078 1 32 . 1 1 12 12 GLU N N 15 131.953 0.300 . 1 . . . . 192 GLU N . 25078 1 33 . 1 1 13 13 LYS H H 1 7.460 0.020 . 1 . . . . 193 LYS H . 25078 1 34 . 1 1 13 13 LYS C C 13 173.339 0.300 . 1 . . . . 193 LYS C . 25078 1 35 . 1 1 13 13 LYS CA C 13 55.970 0.300 . 1 . . . . 193 LYS CA . 25078 1 36 . 1 1 13 13 LYS N N 15 118.090 0.300 . 1 . . . . 193 LYS N . 25078 1 37 . 1 1 14 14 LEU H H 1 8.425 0.020 . 1 . . . . 194 LEU H . 25078 1 38 . 1 1 14 14 LEU CA C 13 54.560 0.300 . 1 . . . . 194 LEU CA . 25078 1 39 . 1 1 14 14 LEU N N 15 125.299 0.300 . 1 . . . . 194 LEU N . 25078 1 40 . 1 1 18 18 TYR H H 1 7.964 0.020 . 1 . . . . 198 TYR H . 25078 1 41 . 1 1 18 18 TYR C C 13 170.953 0.300 . 1 . . . . 198 TYR C . 25078 1 42 . 1 1 18 18 TYR CA C 13 54.905 0.300 . 1 . . . . 198 TYR CA . 25078 1 43 . 1 1 18 18 TYR N N 15 123.918 0.300 . 1 . . . . 198 TYR N . 25078 1 44 . 1 1 19 19 GLY H H 1 7.525 0.020 . 1 . . . . 199 GLY H . 25078 1 45 . 1 1 19 19 GLY C C 13 168.818 0.300 . 1 . . . . 199 GLY C . 25078 1 46 . 1 1 19 19 GLY CA C 13 45.348 0.300 . 1 . . . . 199 GLY CA . 25078 1 47 . 1 1 19 19 GLY N N 15 104.632 0.300 . 1 . . . . 199 GLY N . 25078 1 48 . 1 1 20 20 PHE H H 1 8.539 0.020 . 1 . . . . 200 PHE H . 25078 1 49 . 1 1 20 20 PHE C C 13 175.326 0.300 . 1 . . . . 200 PHE C . 25078 1 50 . 1 1 20 20 PHE CA C 13 56.503 0.300 . 1 . . . . 200 PHE CA . 25078 1 51 . 1 1 20 20 PHE N N 15 112.320 0.300 . 1 . . . . 200 PHE N . 25078 1 52 . 1 1 21 21 ILE H H 1 9.466 0.020 . 1 . . . . 201 ILE H . 25078 1 53 . 1 1 21 21 ILE C C 13 175.098 0.300 . 1 . . . . 201 ILE C . 25078 1 54 . 1 1 21 21 ILE CA C 13 59.228 0.300 . 1 . . . . 201 ILE CA . 25078 1 55 . 1 1 21 21 ILE N N 15 124.313 0.300 . 1 . . . . 201 ILE N . 25078 1 56 . 1 1 22 22 GLN H H 1 9.122 0.020 . 1 . . . . 202 GLN H . 25078 1 57 . 1 1 22 22 GLN HE21 H 1 6.709 0.020 . 1 . . . . 202 GLN HE21 . 25078 1 58 . 1 1 22 22 GLN HE22 H 1 7.954 0.020 . 1 . . . . 202 GLN HE22 . 25078 1 59 . 1 1 22 22 GLN C C 13 175.740 0.300 . 1 . . . . 202 GLN C . 25078 1 60 . 1 1 22 22 GLN CA C 13 54.247 0.300 . 1 . . . . 202 GLN CA . 25078 1 61 . 1 1 22 22 GLN N N 15 126.911 0.300 . 1 . . . . 202 GLN N . 25078 1 62 . 1 1 22 22 GLN NE2 N 15 111.819 0.300 . 1 . . . . 202 GLN NE2 . 25078 1 63 . 1 1 23 23 CYS H H 1 8.507 0.020 . 1 . . . . 203 CYS H . 25078 1 64 . 1 1 23 23 CYS CA C 13 62.424 0.300 . 1 . . . . 203 CYS CA . 25078 1 65 . 1 1 23 23 CYS N N 15 127.704 0.300 . 1 . . . . 203 CYS N . 25078 1 66 . 1 1 24 24 CYS H H 1 8.737 0.020 . 1 . . . . 204 CYS H . 25078 1 67 . 1 1 24 24 CYS N N 15 118.727 0.300 . 1 . . . . 204 CYS N . 25078 1 68 . 1 1 25 25 GLU H H 1 9.104 0.020 . 1 . . . . 205 GLU H . 25078 1 69 . 1 1 25 25 GLU C C 13 174.704 0.300 . 1 . . . . 205 GLU C . 25078 1 70 . 1 1 25 25 GLU CA C 13 56.503 0.300 . 1 . . . . 205 GLU CA . 25078 1 71 . 1 1 25 25 GLU N N 15 120.074 0.300 . 1 . . . . 205 GLU N . 25078 1 72 . 1 1 26 26 ARG H H 1 7.476 0.020 . 1 . . . . 206 ARG H . 25078 1 73 . 1 1 26 26 ARG CA C 13 53.589 0.300 . 1 . . . . 206 ARG CA . 25078 1 74 . 1 1 26 26 ARG N N 15 114.709 0.300 . 1 . . . . 206 ARG N . 25078 1 75 . 1 1 28 28 ALA H H 1 7.870 0.020 . 1 . . . . 208 ALA H . 25078 1 76 . 1 1 28 28 ALA C C 13 173.651 0.300 . 1 . . . . 208 ALA C . 25078 1 77 . 1 1 28 28 ALA CA C 13 51.991 0.300 . 1 . . . . 208 ALA CA . 25078 1 78 . 1 1 28 28 ALA N N 15 124.927 0.300 . 1 . . . . 208 ALA N . 25078 1 79 . 1 1 29 29 ARG H H 1 8.250 0.020 . 1 . . . . 209 ARG H . 25078 1 80 . 1 1 29 29 ARG C C 13 175.699 0.300 . 1 . . . . 209 ARG C . 25078 1 81 . 1 1 29 29 ARG CA C 13 54.278 0.300 . 1 . . . . 209 ARG CA . 25078 1 82 . 1 1 29 29 ARG N N 15 123.232 0.300 . 1 . . . . 209 ARG N . 25078 1 83 . 1 1 30 30 LEU H H 1 8.909 0.020 . 1 . . . . 210 LEU H . 25078 1 84 . 1 1 30 30 LEU C C 13 175.574 0.300 . 1 . . . . 210 LEU C . 25078 1 85 . 1 1 30 30 LEU CA C 13 52.774 0.300 . 1 . . . . 210 LEU CA . 25078 1 86 . 1 1 30 30 LEU N N 15 125.051 0.300 . 1 . . . . 210 LEU N . 25078 1 87 . 1 1 31 31 PHE H H 1 8.531 0.020 . 1 . . . . 211 PHE H . 25078 1 88 . 1 1 31 31 PHE C C 13 173.523 0.300 . 1 . . . . 211 PHE C . 25078 1 89 . 1 1 31 31 PHE CA C 13 56.691 0.300 . 1 . . . . 211 PHE CA . 25078 1 90 . 1 1 31 31 PHE N N 15 125.271 0.300 . 1 . . . . 211 PHE N . 25078 1 91 . 1 1 32 32 PHE H H 1 7.559 0.020 . 1 . . . . 212 PHE H . 25078 1 92 . 1 1 32 32 PHE C C 13 170.269 0.300 . 1 . . . . 212 PHE C . 25078 1 93 . 1 1 32 32 PHE CA C 13 54.999 0.300 . 1 . . . . 212 PHE CA . 25078 1 94 . 1 1 32 32 PHE N N 15 123.191 0.300 . 1 . . . . 212 PHE N . 25078 1 95 . 1 1 33 33 HIS H H 1 8.844 0.020 . 1 . . . . 213 HIS H . 25078 1 96 . 1 1 33 33 HIS C C 13 177.439 0.300 . 1 . . . . 213 HIS C . 25078 1 97 . 1 1 33 33 HIS CA C 13 55.970 0.300 . 1 . . . . 213 HIS CA . 25078 1 98 . 1 1 33 33 HIS N N 15 121.207 0.300 . 1 . . . . 213 HIS N . 25078 1 99 . 1 1 34 34 PHE H H 1 7.652 0.020 . 1 . . . . 214 PHE H . 25078 1 100 . 1 1 34 34 PHE CA C 13 57.568 0.300 . 1 . . . . 214 PHE CA . 25078 1 101 . 1 1 34 34 PHE N N 15 125.797 0.300 . 1 . . . . 214 PHE N . 25078 1 102 . 1 1 36 36 GLN H H 1 8.169 0.020 . 1 . . . . 216 GLN H . 25078 1 103 . 1 1 36 36 GLN C C 13 174.310 0.300 . 1 . . . . 216 GLN C . 25078 1 104 . 1 1 36 36 GLN CA C 13 54.717 0.300 . 1 . . . . 216 GLN CA . 25078 1 105 . 1 1 36 36 GLN N N 15 120.030 0.300 . 1 . . . . 216 GLN N . 25078 1 106 . 1 1 37 37 PHE H H 1 7.876 0.020 . 1 . . . . 217 PHE H . 25078 1 107 . 1 1 37 37 PHE C C 13 174.020 0.300 . 1 . . . . 217 PHE C . 25078 1 108 . 1 1 37 37 PHE CA C 13 56.628 0.300 . 1 . . . . 217 PHE CA . 25078 1 109 . 1 1 37 37 PHE N N 15 122.215 0.300 . 1 . . . . 217 PHE N . 25078 1 110 . 1 1 38 38 SER H H 1 8.069 0.020 . 1 . . . . 218 SER H . 25078 1 111 . 1 1 38 38 SER C C 13 172.466 0.300 . 1 . . . . 218 SER C . 25078 1 112 . 1 1 38 38 SER CA C 13 56.659 0.300 . 1 . . . . 218 SER CA . 25078 1 113 . 1 1 38 38 SER N N 15 124.133 0.300 . 1 . . . . 218 SER N . 25078 1 114 . 1 1 39 39 GLY H H 1 7.117 0.020 . 1 . . . . 219 GLY H . 25078 1 115 . 1 1 39 39 GLY CA C 13 43.656 0.300 . 1 . . . . 219 GLY CA . 25078 1 116 . 1 1 39 39 GLY N N 15 110.915 0.300 . 1 . . . . 219 GLY N . 25078 1 117 . 1 1 41 41 ILE H H 1 8.649 0.020 . 1 . . . . 221 ILE H . 25078 1 118 . 1 1 41 41 ILE C C 13 176.217 0.300 . 1 . . . . 221 ILE C . 25078 1 119 . 1 1 41 41 ILE CA C 13 61.578 0.300 . 1 . . . . 221 ILE CA . 25078 1 120 . 1 1 41 41 ILE N N 15 128.288 0.300 . 1 . . . . 221 ILE N . 25078 1 121 . 1 1 42 42 ASP H H 1 7.980 0.020 . 1 . . . . 222 ASP H . 25078 1 122 . 1 1 42 42 ASP C C 13 176.818 0.300 . 1 . . . . 222 ASP C . 25078 1 123 . 1 1 42 42 ASP CA C 13 55.531 0.300 . 1 . . . . 222 ASP CA . 25078 1 124 . 1 1 42 42 ASP N N 15 119.911 0.300 . 1 . . . . 222 ASP N . 25078 1 125 . 1 1 43 43 HIS H H 1 7.424 0.020 . 1 . . . . 223 HIS H . 25078 1 126 . 1 1 43 43 HIS C C 13 173.543 0.300 . 1 . . . . 223 HIS C . 25078 1 127 . 1 1 43 43 HIS CA C 13 53.714 0.300 . 1 . . . . 223 HIS CA . 25078 1 128 . 1 1 43 43 HIS N N 15 115.346 0.300 . 1 . . . . 223 HIS N . 25078 1 129 . 1 1 44 44 LEU H H 1 7.111 0.020 . 1 . . . . 224 LEU H . 25078 1 130 . 1 1 44 44 LEU C C 13 174.393 0.300 . 1 . . . . 224 LEU C . 25078 1 131 . 1 1 44 44 LEU CA C 13 54.497 0.300 . 1 . . . . 224 LEU CA . 25078 1 132 . 1 1 44 44 LEU N N 15 123.728 0.300 . 1 . . . . 224 LEU N . 25078 1 133 . 1 1 45 45 LYS H H 1 8.639 0.020 . 1 . . . . 225 LYS H . 25078 1 134 . 1 1 45 45 LYS C C 13 175.719 0.300 . 1 . . . . 225 LYS C . 25078 1 135 . 1 1 45 45 LYS CA C 13 53.589 0.300 . 1 . . . . 225 LYS CA . 25078 1 136 . 1 1 45 45 LYS N N 15 125.299 0.300 . 1 . . . . 225 LYS N . 25078 1 137 . 1 1 46 46 ILE H H 1 7.954 0.020 . 1 . . . . 226 ILE H . 25078 1 138 . 1 1 46 46 ILE C C 13 177.315 0.300 . 1 . . . . 226 ILE C . 25078 1 139 . 1 1 46 46 ILE CA C 13 62.456 0.300 . 1 . . . . 226 ILE CA . 25078 1 140 . 1 1 46 46 ILE N N 15 118.622 0.300 . 1 . . . . 226 ILE N . 25078 1 141 . 1 1 47 47 GLY H H 1 9.003 0.020 . 1 . . . . 227 GLY H . 25078 1 142 . 1 1 47 47 GLY C C 13 173.999 0.300 . 1 . . . . 227 GLY C . 25078 1 143 . 1 1 47 47 GLY CA C 13 44.220 0.300 . 1 . . . . 227 GLY CA . 25078 1 144 . 1 1 47 47 GLY N N 15 115.585 0.300 . 1 . . . . 227 GLY N . 25078 1 145 . 1 1 48 48 ASP H H 1 7.842 0.020 . 1 . . . . 228 ASP H . 25078 1 146 . 1 1 48 48 ASP CA C 13 53.025 0.300 . 1 . . . . 228 ASP CA . 25078 1 147 . 1 1 48 48 ASP N N 15 122.050 0.300 . 1 . . . . 228 ASP N . 25078 1 148 . 1 1 50 50 VAL H H 1 8.721 0.020 . 1 . . . . 230 VAL H . 25078 1 149 . 1 1 50 50 VAL CA C 13 58.069 0.300 . 1 . . . . 230 VAL CA . 25078 1 150 . 1 1 50 50 VAL N N 15 114.676 0.300 . 1 . . . . 230 VAL N . 25078 1 151 . 1 1 51 51 GLU H H 1 8.976 0.020 . 1 . . . . 231 GLU H . 25078 1 152 . 1 1 51 51 GLU C C 13 174.435 0.300 . 1 . . . . 231 GLU C . 25078 1 153 . 1 1 51 51 GLU CA C 13 53.244 0.300 . 1 . . . . 231 GLU CA . 25078 1 154 . 1 1 51 51 GLU N N 15 120.320 0.300 . 1 . . . . 231 GLU N . 25078 1 155 . 1 1 52 52 PHE H H 1 8.103 0.020 . 1 . . . . 232 PHE H . 25078 1 156 . 1 1 52 52 PHE CA C 13 56.283 0.300 . 1 . . . . 232 PHE CA . 25078 1 157 . 1 1 52 52 PHE N N 15 117.569 0.300 . 1 . . . . 232 PHE N . 25078 1 158 . 1 1 53 53 GLU H H 1 8.641 0.020 . 1 . . . . 233 GLU H . 25078 1 159 . 1 1 53 53 GLU CA C 13 53.620 0.300 . 1 . . . . 233 GLU CA . 25078 1 160 . 1 1 53 53 GLU N N 15 117.236 0.300 . 1 . . . . 233 GLU N . 25078 1 161 . 1 1 54 54 MET H H 1 9.547 0.020 . 1 . . . . 234 MET H . 25078 1 162 . 1 1 54 54 MET C C 13 175.284 0.300 . 1 . . . . 234 MET C . 25078 1 163 . 1 1 54 54 MET CA C 13 55.625 0.300 . 1 . . . . 234 MET CA . 25078 1 164 . 1 1 54 54 MET N N 15 129.721 0.300 . 1 . . . . 234 MET N . 25078 1 165 . 1 1 55 55 THR H H 1 8.687 0.020 . 1 . . . . 235 THR H . 25078 1 166 . 1 1 55 55 THR CA C 13 59.228 0.300 . 1 . . . . 235 THR CA . 25078 1 167 . 1 1 55 55 THR N N 15 121.815 0.300 . 1 . . . . 235 THR N . 25078 1 168 . 1 1 56 56 TYR H H 1 8.369 0.020 . 1 . . . . 236 TYR H . 25078 1 169 . 1 1 56 56 TYR N N 15 117.693 0.300 . 1 . . . . 236 TYR N . 25078 1 170 . 1 1 57 57 ASP H H 1 8.734 0.020 . 1 . . . . 237 ASP H . 25078 1 171 . 1 1 57 57 ASP CA C 13 56.816 0.300 . 1 . . . . 237 ASP CA . 25078 1 172 . 1 1 57 57 ASP N N 15 126.379 0.300 . 1 . . . . 237 ASP N . 25078 1 173 . 1 1 58 58 ARG H H 1 8.856 0.020 . 1 . . . . 238 ARG H . 25078 1 174 . 1 1 58 58 ARG N N 15 128.014 0.300 . 1 . . . . 238 ARG N . 25078 1 175 . 1 1 59 59 ARG H H 1 8.414 0.020 . 1 . . . . 239 ARG H . 25078 1 176 . 1 1 59 59 ARG CA C 13 57.317 0.300 . 1 . . . . 239 ARG CA . 25078 1 177 . 1 1 59 59 ARG N N 15 115.709 0.300 . 1 . . . . 239 ARG N . 25078 1 178 . 1 1 61 61 GLY H H 1 8.426 0.020 . 1 . . . . 241 GLY H . 25078 1 179 . 1 1 61 61 GLY CA C 13 45.317 0.300 . 1 . . . . 241 GLY CA . 25078 1 180 . 1 1 61 61 GLY N N 15 111.824 0.300 . 1 . . . . 241 GLY N . 25078 1 181 . 1 1 62 62 LYS H H 1 7.562 0.020 . 1 . . . . 242 LYS H . 25078 1 182 . 1 1 62 62 LYS CA C 13 54.309 0.300 . 1 . . . . 242 LYS CA . 25078 1 183 . 1 1 62 62 LYS N N 15 119.843 0.300 . 1 . . . . 242 LYS N . 25078 1 184 . 1 1 64 64 ILE H H 1 8.969 0.020 . 1 . . . . 244 ILE H . 25078 1 185 . 1 1 64 64 ILE C C 13 173.958 0.300 . 1 . . . . 244 ILE C . 25078 1 186 . 1 1 64 64 ILE CA C 13 60.262 0.300 . 1 . . . . 244 ILE CA . 25078 1 187 . 1 1 64 64 ILE N N 15 118.148 0.300 . 1 . . . . 244 ILE N . 25078 1 188 . 1 1 65 65 ALA H H 1 8.558 0.020 . 1 . . . . 245 ALA H . 25078 1 189 . 1 1 65 65 ALA CA C 13 50.267 0.300 . 1 . . . . 245 ALA CA . 25078 1 190 . 1 1 65 65 ALA N N 15 121.372 0.300 . 1 . . . . 245 ALA N . 25078 1 191 . 1 1 66 66 SER H H 1 8.655 0.020 . 1 . . . . 246 SER H . 25078 1 192 . 1 1 66 66 SER C C 13 172.777 0.300 . 1 . . . . 246 SER C . 25078 1 193 . 1 1 66 66 SER CA C 13 55.751 0.300 . 1 . . . . 246 SER CA . 25078 1 194 . 1 1 66 66 SER N N 15 114.641 0.300 . 1 . . . . 246 SER N . 25078 1 195 . 1 1 67 67 GLN H H 1 9.278 0.020 . 1 . . . . 247 GLN H . 25078 1 196 . 1 1 67 67 GLN HE21 H 1 6.802 0.020 . 1 . . . . 247 GLN HE21 . 25078 1 197 . 1 1 67 67 GLN HE22 H 1 7.664 0.020 . 1 . . . . 247 GLN HE22 . 25078 1 198 . 1 1 67 67 GLN C C 13 174.973 0.300 . 1 . . . . 247 GLN C . 25078 1 199 . 1 1 67 67 GLN CA C 13 56.064 0.300 . 1 . . . . 247 GLN CA . 25078 1 200 . 1 1 67 67 GLN N N 15 120.173 0.300 . 1 . . . . 247 GLN N . 25078 1 201 . 1 1 67 67 GLN NE2 N 15 113.369 0.300 . 1 . . . . 247 GLN NE2 . 25078 1 202 . 1 1 68 68 VAL H H 1 8.301 0.020 . 1 . . . . 248 VAL H . 25078 1 203 . 1 1 68 68 VAL CA C 13 61.296 0.300 . 1 . . . . 248 VAL CA . 25078 1 204 . 1 1 68 68 VAL N N 15 121.083 0.300 . 1 . . . . 248 VAL N . 25078 1 205 . 1 1 69 69 SER H H 1 9.043 0.020 . 1 . . . . 249 SER H . 25078 1 206 . 1 1 69 69 SER N N 15 118.561 0.300 . 1 . . . . 249 SER N . 25078 1 207 . 1 1 70 70 LYS H H 1 8.748 0.020 . 1 . . . . 250 LYS H . 25078 1 208 . 1 1 70 70 LYS C C 13 176.839 0.300 . 1 . . . . 250 LYS C . 25078 1 209 . 1 1 70 70 LYS CA C 13 56.753 0.300 . 1 . . . . 250 LYS CA . 25078 1 210 . 1 1 70 70 LYS N N 15 122.736 0.300 . 1 . . . . 250 LYS N . 25078 1 211 . 1 1 71 71 ILE H H 1 7.791 0.020 . 1 . . . . 251 ILE H . 25078 1 212 . 1 1 71 71 ILE C C 13 174.372 0.300 . 1 . . . . 251 ILE C . 25078 1 213 . 1 1 71 71 ILE CA C 13 61.547 0.300 . 1 . . . . 251 ILE CA . 25078 1 214 . 1 1 71 71 ILE N N 15 124.803 0.300 . 1 . . . . 251 ILE N . 25078 1 215 . 1 1 72 72 ALA H H 1 7.740 0.020 . 1 . . . . 252 ALA H . 25078 1 216 . 1 1 72 72 ALA CA C 13 53.244 0.300 . 1 . . . . 252 ALA CA . 25078 1 217 . 1 1 72 72 ALA N N 15 133.276 0.300 . 1 . . . . 252 ALA N . 25078 1 stop_ save_