data_25365 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25365 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for drosophila histone mRNA stem-loop-binding protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-11-24 _Entry.Accession_date 2014-11-24 _Entry.Last_release_date 2014-11-24 _Entry.Original_release_date 2014-11-24 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 Jun Zhang . . . . 25365 2 Eugene DeRose . . . . 25365 3 Traci Hall . . . . 25365 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25365 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 92 25365 '15N chemical shifts' 37 25365 '1H chemical shifts' 37 25365 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 . . 2014-12-09 . original BMRB . 25365 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25364 'drosophila stem-loop binding protein complexed with histone mRNA stem-loop' 25365 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25365 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25002523 _Citation.Full_citation . _Citation.Title ; Molecular mechanisms for the regulation of histone mRNA stem-loop binding protein by phosphorylation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume 111 _Citation.Journal_issue 29 _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 E2937 _Citation.Page_last E2946 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jun Zhang . . . . 25365 1 2 Dazhi Tan . . . . 25365 1 3 Eugene DeRose . F. . . 25365 1 4 Lalith Perera . . . . 25365 1 5 Zbigniew Dominski . . . . 25365 1 6 William Marzluff . F. . . 25365 1 7 Liang Tong . . . . 25365 1 8 Traci Hall . . . . 25365 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25365 _Assembly.ID 1 _Assembly.Name SLBP _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 SLBP 1 $SLBP A . yes native no no . . . 25365 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SLBP _Entity.Sf_category entity _Entity.Sf_framecode SLBP _Entity.Entry_ID 25365 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SLBP _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 ; SSSYTEADPAILSRRQKQID YGKNTAAYERYVEMVPKDER TRDHPREPNKYGKYSRRAFD GLVKIWRKSLHIYDPPTQAR DTAKDENEDEDED ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 93 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _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 1 184 SER . 25365 1 2 185 SER . 25365 1 3 186 SER . 25365 1 4 187 TYR . 25365 1 5 188 THR . 25365 1 6 189 GLU . 25365 1 7 190 ALA . 25365 1 8 191 ASP . 25365 1 9 192 PRO . 25365 1 10 193 ALA . 25365 1 11 194 ILE . 25365 1 12 195 LEU . 25365 1 13 196 SER . 25365 1 14 197 ARG . 25365 1 15 198 ARG . 25365 1 16 199 GLN . 25365 1 17 200 LYS . 25365 1 18 201 GLN . 25365 1 19 202 ILE . 25365 1 20 203 ASP . 25365 1 21 204 TYR . 25365 1 22 205 GLY . 25365 1 23 206 LYS . 25365 1 24 207 ASN . 25365 1 25 208 THR . 25365 1 26 209 ALA . 25365 1 27 210 ALA . 25365 1 28 211 TYR . 25365 1 29 212 GLU . 25365 1 30 213 ARG . 25365 1 31 214 TYR . 25365 1 32 215 VAL . 25365 1 33 216 GLU . 25365 1 34 217 MET . 25365 1 35 218 VAL . 25365 1 36 219 PRO . 25365 1 37 220 LYS . 25365 1 38 221 ASP . 25365 1 39 222 GLU . 25365 1 40 223 ARG . 25365 1 41 224 THR . 25365 1 42 225 ARG . 25365 1 43 226 ASP . 25365 1 44 227 HIS . 25365 1 45 228 PRO . 25365 1 46 229 ARG . 25365 1 47 230 GLU . 25365 1 48 231 PRO . 25365 1 49 232 ASN . 25365 1 50 233 LYS . 25365 1 51 234 TYR . 25365 1 52 235 GLY . 25365 1 53 236 LYS . 25365 1 54 237 TYR . 25365 1 55 238 SER . 25365 1 56 239 ARG . 25365 1 57 240 ARG . 25365 1 58 241 ALA . 25365 1 59 242 PHE . 25365 1 60 243 ASP . 25365 1 61 244 GLY . 25365 1 62 245 LEU . 25365 1 63 246 VAL . 25365 1 64 247 LYS . 25365 1 65 248 ILE . 25365 1 66 249 TRP . 25365 1 67 250 ARG . 25365 1 68 251 LYS . 25365 1 69 252 SER . 25365 1 70 253 LEU . 25365 1 71 254 HIS . 25365 1 72 255 ILE . 25365 1 73 256 TYR . 25365 1 74 257 ASP . 25365 1 75 258 PRO . 25365 1 76 259 PRO . 25365 1 77 260 THR . 25365 1 78 261 GLN . 25365 1 79 262 ALA . 25365 1 80 263 ARG . 25365 1 81 264 ASP . 25365 1 82 265 THR . 25365 1 83 266 ALA . 25365 1 84 267 LYS . 25365 1 85 268 ASP . 25365 1 86 269 GLU . 25365 1 87 270 ASN . 25365 1 88 271 GLU . 25365 1 89 272 ASP . 25365 1 90 273 GLU . 25365 1 91 274 ASP . 25365 1 92 275 GLU . 25365 1 93 276 ASP . 25365 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 . SER 1 1 25365 1 . SER 2 2 25365 1 . SER 3 3 25365 1 . TYR 4 4 25365 1 . THR 5 5 25365 1 . GLU 6 6 25365 1 . ALA 7 7 25365 1 . ASP 8 8 25365 1 . PRO 9 9 25365 1 . ALA 10 10 25365 1 . ILE 11 11 25365 1 . LEU 12 12 25365 1 . SER 13 13 25365 1 . ARG 14 14 25365 1 . ARG 15 15 25365 1 . GLN 16 16 25365 1 . LYS 17 17 25365 1 . GLN 18 18 25365 1 . ILE 19 19 25365 1 . ASP 20 20 25365 1 . TYR 21 21 25365 1 . GLY 22 22 25365 1 . LYS 23 23 25365 1 . ASN 24 24 25365 1 . THR 25 25 25365 1 . ALA 26 26 25365 1 . ALA 27 27 25365 1 . TYR 28 28 25365 1 . GLU 29 29 25365 1 . ARG 30 30 25365 1 . TYR 31 31 25365 1 . VAL 32 32 25365 1 . GLU 33 33 25365 1 . MET 34 34 25365 1 . VAL 35 35 25365 1 . PRO 36 36 25365 1 . LYS 37 37 25365 1 . ASP 38 38 25365 1 . GLU 39 39 25365 1 . ARG 40 40 25365 1 . THR 41 41 25365 1 . ARG 42 42 25365 1 . ASP 43 43 25365 1 . HIS 44 44 25365 1 . PRO 45 45 25365 1 . ARG 46 46 25365 1 . GLU 47 47 25365 1 . PRO 48 48 25365 1 . ASN 49 49 25365 1 . LYS 50 50 25365 1 . TYR 51 51 25365 1 . GLY 52 52 25365 1 . LYS 53 53 25365 1 . TYR 54 54 25365 1 . SER 55 55 25365 1 . ARG 56 56 25365 1 . ARG 57 57 25365 1 . ALA 58 58 25365 1 . PHE 59 59 25365 1 . ASP 60 60 25365 1 . GLY 61 61 25365 1 . LEU 62 62 25365 1 . VAL 63 63 25365 1 . LYS 64 64 25365 1 . ILE 65 65 25365 1 . TRP 66 66 25365 1 . ARG 67 67 25365 1 . LYS 68 68 25365 1 . SER 69 69 25365 1 . LEU 70 70 25365 1 . HIS 71 71 25365 1 . ILE 72 72 25365 1 . TYR 73 73 25365 1 . ASP 74 74 25365 1 . PRO 75 75 25365 1 . PRO 76 76 25365 1 . THR 77 77 25365 1 . GLN 78 78 25365 1 . ALA 79 79 25365 1 . ARG 80 80 25365 1 . ASP 81 81 25365 1 . THR 82 82 25365 1 . ALA 83 83 25365 1 . LYS 84 84 25365 1 . ASP 85 85 25365 1 . GLU 86 86 25365 1 . ASN 87 87 25365 1 . GLU 88 88 25365 1 . ASP 89 89 25365 1 . GLU 90 90 25365 1 . ASP 91 91 25365 1 . GLU 92 92 25365 1 . ASP 93 93 25365 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 25365 _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 $SLBP . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . 25365 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 25365 _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 $SLBP . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . PSMT3 . . . 25365 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25365 _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 SLBP '[U-100% 13C; U-100% 15N]' . . 1 $SLBP . . 0.5 . . mM . . . . 25365 1 2 Hepes 'natural abundance' . . . . . . 20 . . mM . . . . 25365 1 3 NaCl 'natural abundance' . . . . . . 500 . . mM . . . . 25365 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 25365 _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 'ionic strength' 500 . mM 25365 1 pH 7.5 . pH 25365 1 pressure 1 . atm 25365 1 temperature 273 . K 25365 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 25365 _Software.ID 1 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 25365 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25365 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 25365 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 25365 _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 Varian INOVA . 600 . . . 25365 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 25365 _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 . . . . . . . . . . . . . . . . 25365 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25365 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25365 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25365 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25365 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 25365 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25365 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25365 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25365 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 25365 _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' . . . 25365 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.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 4 4 TYR CA C 13 54.3755 0.31 . 1 . . . . . 187 TYR CA . 25365 1 2 . 1 1 4 4 TYR CB C 13 41.0605 0.5 . 1 . . . . . 187 TYR CB . 25365 1 3 . 1 1 5 5 THR CA C 13 62.0378 0.31 . 1 . . . . . 188 THR CA . 25365 1 4 . 1 1 5 5 THR CB C 13 69.8787 0.5 . 1 . . . . . 188 THR CB . 25365 1 5 . 1 1 6 6 GLU CA C 13 56.5324 0.31 . 1 . . . . . 189 GLU CA . 25365 1 6 . 1 1 6 6 GLU CB C 13 30.2433 0.5 . 1 . . . . . 189 GLU CB . 25365 1 7 . 1 1 9 9 PRO CA C 13 63.8907 0.31 . 1 . . 3566 . . 192 PRO CA . 25365 1 8 . 1 1 9 9 PRO CB C 13 32.0791 0.5 . 1 . . 3581 . . 192 PRO CB . 25365 1 9 . 1 1 10 10 ALA H H 1 8.4466 0.01 . 1 . . 3901 . . 193 ALA H . 25365 1 10 . 1 1 10 10 ALA CA C 13 53.3603 0.31 . 1 . . 3185 . . 193 ALA CA . 25365 1 11 . 1 1 10 10 ALA CB C 13 18.8420 0.5 . 1 . . 3197 . . 193 ALA CB . 25365 1 12 . 1 1 10 10 ALA N N 15 122.5752 0.12 . 1 . . 3902 . . 193 ALA N . 25365 1 13 . 1 1 11 11 ILE H H 1 7.7802 0.01 . 1 . . 3430 . . 194 ILE H . 25365 1 14 . 1 1 11 11 ILE CA C 13 61.9408 0.31 . 1 . . 3416 . . 194 ILE CA . 25365 1 15 . 1 1 11 11 ILE CB C 13 38.1994 0.5 . 1 . . 3425 . . 194 ILE CB . 25365 1 16 . 1 1 11 11 ILE N N 15 118.8271 0.12 . 1 . . 3432 . . 194 ILE N . 25365 1 17 . 1 1 12 12 LEU H H 1 8.0445 0.01 . 1 . . 3977 . . 195 LEU H . 25365 1 18 . 1 1 12 12 LEU CA C 13 55.9731 0.31 . 1 . . 6098 . . 195 LEU CA . 25365 1 19 . 1 1 12 12 LEU CB C 13 42.0016 0.5 . 1 . . 6102 . . 195 LEU CB . 25365 1 20 . 1 1 12 12 LEU N N 15 123.7672 0.12 . 1 . . 3978 . . 195 LEU N . 25365 1 21 . 1 1 13 13 SER H H 1 8.1346 0.01 . 1 . . 3957 . . 196 SER H . 25365 1 22 . 1 1 13 13 SER CA C 13 58.9838 0.31 . 1 . . 7115 . . 196 SER CA . 25365 1 23 . 1 1 13 13 SER CB C 13 63.5233 0.5 . 1 . . 7111 . . 196 SER CB . 25365 1 24 . 1 1 13 13 SER N N 15 115.4001 0.12 . 1 . . 3958 . . 196 SER N . 25365 1 25 . 1 1 14 14 ARG H H 1 8.0976 0.01 . 1 . . 6971 . . 197 ARG H . 25365 1 26 . 1 1 14 14 ARG CA C 13 56.9663 0.31 . 1 . . 7092 . . 197 ARG CA . 25365 1 27 . 1 1 14 14 ARG CB C 13 30.4885 0.5 . 1 . . 7095 . . 197 ARG CB . 25365 1 28 . 1 1 14 14 ARG N N 15 122.1850 0.12 . 1 . . 6972 . . 197 ARG N . 25365 1 29 . 1 1 15 15 ARG H H 1 8.1831 0.01 . 1 . . 3340 . . 198 ARG H . 25365 1 30 . 1 1 15 15 ARG CA C 13 56.8081 0.31 . 1 . . 3341 . . 198 ARG CA . 25365 1 31 . 1 1 15 15 ARG CB C 13 30.4582 0.5 . 1 . . 3344 . . 198 ARG CB . 25365 1 32 . 1 1 15 15 ARG N N 15 120.9713 0.12 . 1 . . 3342 . . 198 ARG N . 25365 1 33 . 1 1 16 16 GLN H H 1 8.2651 0.01 . 1 . . 3352 . . 199 GLN H . 25365 1 34 . 1 1 16 16 GLN CA C 13 56.4480 0.31 . 1 . . 4935 . . 199 GLN CA . 25365 1 35 . 1 1 16 16 GLN CB C 13 29.4697 0.5 . 1 . . 7261 . . 199 GLN CB . 25365 1 36 . 1 1 16 16 GLN N N 15 120.8106 0.12 . 1 . . 3354 . . 199 GLN N . 25365 1 37 . 1 1 17 17 LYS H H 1 8.2459 0.01 . 1 . . 7290 . . 200 LYS H . 25365 1 38 . 1 1 17 17 LYS CA C 13 56.4685 0.31 . 1 . . 8050 . . 200 LYS CA . 25365 1 39 . 1 1 17 17 LYS CB C 13 32.9696 0.5 . 1 . . 8046 . . 200 LYS CB . 25365 1 40 . 1 1 17 17 LYS N N 15 121.7944 0.12 . 1 . . 7291 . . 200 LYS N . 25365 1 41 . 1 1 18 18 GLN H H 1 8.2716 0.01 . 1 . . 7431 . . 201 GLN H . 25365 1 42 . 1 1 18 18 GLN CA C 13 56.0384 0.31 . 1 . . 7258 . . 201 GLN CA . 25365 1 43 . 1 1 18 18 GLN CB C 13 29.4177 0.5 . 1 . . 7260 . . 201 GLN CB . 25365 1 44 . 1 1 18 18 GLN N N 15 121.4038 0.12 . 1 . . 7432 . . 201 GLN N . 25365 1 45 . 1 1 19 19 ILE H H 1 8.1053 0.01 . 1 . . 3220 . . 202 ILE H . 25365 1 46 . 1 1 19 19 ILE CA C 13 61.4311 0.31 . 1 . . 3200 . . 202 ILE CA . 25365 1 47 . 1 1 19 19 ILE CB C 13 38.8928 0.5 . 1 . . 3206 . . 202 ILE CB . 25365 1 48 . 1 1 19 19 ILE N N 15 122.3259 0.12 . 1 . . 3222 . . 202 ILE N . 25365 1 49 . 1 1 20 20 ASP H H 1 8.2680 0.01 . 1 . . 3145 . . 203 ASP H . 25365 1 50 . 1 1 20 20 ASP CA C 13 53.8867 0.31 . 1 . . 3146 . . 203 ASP CA . 25365 1 51 . 1 1 20 20 ASP CB C 13 41.1880 0.5 . 1 . . 3152 . . 203 ASP CB . 25365 1 52 . 1 1 20 20 ASP N N 15 123.7042 0.12 . 1 . . 3147 . . 203 ASP N . 25365 1 53 . 1 1 21 21 TYR H H 1 8.1821 0.01 . 1 . . 3241 . . 204 TYR H . 25365 1 54 . 1 1 21 21 TYR CA C 13 58.8768 0.31 . 1 . . 3233 . . 204 TYR CA . 25365 1 55 . 1 1 21 21 TYR CB C 13 38.4696 0.5 . 1 . . 3245 . . 204 TYR CB . 25365 1 56 . 1 1 21 21 TYR N N 15 121.9499 0.12 . 1 . . 3243 . . 204 TYR N . 25365 1 57 . 1 1 22 22 GLY H H 1 8.4287 0.01 . 1 . . 3903 . . 205 GLY H . 25365 1 58 . 1 1 22 22 GLY CA C 13 45.5602 0.31 . 1 . . 3479 . . 205 GLY CA . 25365 1 59 . 1 1 22 22 GLY N N 15 109.8595 0.12 . 1 . . 3904 . . 205 GLY N . 25365 1 60 . 1 1 23 23 LYS H H 1 8.0407 0.01 . 1 . . 3979 . . 206 LYS H . 25365 1 61 . 1 1 23 23 LYS CA C 13 56.4942 0.31 . 1 . . 8032 . . 206 LYS CA . 25365 1 62 . 1 1 23 23 LYS CB C 13 33.0168 0.5 . 1 . . 3263 . . 206 LYS CB . 25365 1 63 . 1 1 23 23 LYS N N 15 120.6139 0.12 . 1 . . 3980 . . 206 LYS N . 25365 1 64 . 1 1 24 24 ASN H H 1 8.4496 0.01 . 1 . . 3403 . . 207 ASN H . 25365 1 65 . 1 1 24 24 ASN CA C 13 53.4192 0.31 . 1 . . 4336 . . 207 ASN CA . 25365 1 66 . 1 1 24 24 ASN CB C 13 38.5701 0.5 . 1 . . 4273 . . 207 ASN CB . 25365 1 67 . 1 1 24 24 ASN N N 15 119.2207 0.12 . 1 . . 3405 . . 207 ASN N . 25365 1 68 . 1 1 25 25 THR H H 1 8.0399 0.01 . 1 . . 5283 . . 208 THR H . 25365 1 69 . 1 1 25 25 THR CA C 13 62.4745 0.31 . 1 . . 5453 . . 208 THR CA . 25365 1 70 . 1 1 25 25 THR CB C 13 69.7680 0.5 . 1 . . 5466 . . 208 THR CB . 25365 1 71 . 1 1 25 25 THR N N 15 114.3733 0.12 . 1 . . 5284 . . 208 THR N . 25365 1 72 . 1 1 26 26 ALA H H 1 8.3163 0.01 . 1 . . 3923 . . 209 ALA H . 25365 1 73 . 1 1 26 26 ALA CA C 13 53.0033 0.31 . 1 . . 7196 . . 209 ALA CA . 25365 1 74 . 1 1 26 26 ALA CB C 13 18.9337 0.5 . 1 . . 4889 . . 209 ALA CB . 25365 1 75 . 1 1 26 26 ALA N N 15 125.7002 0.12 . 1 . . 3924 . . 209 ALA N . 25365 1 76 . 1 1 27 27 ALA H H 1 8.0916 0.01 . 1 . . 3619 . . 210 ALA H . 25365 1 77 . 1 1 27 27 ALA CA C 13 53.1018 0.31 . 1 . . 3239 . . 210 ALA CA . 25365 1 78 . 1 1 27 27 ALA CB C 13 18.9282 0.5 . 1 . . 3806 . . 210 ALA CB . 25365 1 79 . 1 1 27 27 ALA N N 15 122.0139 0.12 . 1 . . 3621 . . 210 ALA N . 25365 1 80 . 1 1 28 28 TYR H H 1 7.8673 0.01 . 1 . . 3433 . . 211 TYR H . 25365 1 81 . 1 1 28 28 TYR CA C 13 58.4633 0.31 . 1 . . 3434 . . 211 TYR CA . 25365 1 82 . 1 1 28 28 TYR CB C 13 38.6468 0.5 . 1 . . 5524 . . 211 TYR CB . 25365 1 83 . 1 1 28 28 TYR N N 15 118.3324 0.12 . 1 . . 3435 . . 211 TYR N . 25365 1 84 . 1 1 29 29 GLU H H 1 8.1690 0.01 . 1 . . 3955 . . 212 GLU H . 25365 1 85 . 1 1 29 29 GLU CB C 13 33.0131 0.5 . 1 . . . . . 212 GLU CB . 25365 1 86 . 1 1 29 29 GLU N N 15 121.3232 0.12 . 1 . . 3956 . . 212 GLU N . 25365 1 87 . 1 1 36 36 PRO CA C 13 63.0318 0.31 . 1 . . 4108 . . 219 PRO CA . 25365 1 88 . 1 1 36 36 PRO CB C 13 30.9393 0.5 . 1 . . 4143 . . 219 PRO CB . 25365 1 89 . 1 1 37 37 LYS H H 1 8.4669 0.01 . 1 . . 3897 . . 220 LYS H . 25365 1 90 . 1 1 37 37 LYS CA C 13 56.9166 0.31 . 1 . . 6060 . . 220 LYS CA . 25365 1 91 . 1 1 37 37 LYS CB C 13 32.9957 0.5 . 1 . . 8073 . . 220 LYS CB . 25365 1 92 . 1 1 37 37 LYS N N 15 122.0423 0.12 . 1 . . 3898 . . 220 LYS N . 25365 1 93 . 1 1 38 38 ASP H H 1 8.3813 0.01 . 1 . . 3911 . . 221 ASP H . 25365 1 94 . 1 1 38 38 ASP CA C 13 54.4086 0.31 . 1 . . 8285 . . 221 ASP CA . 25365 1 95 . 1 1 38 38 ASP CB C 13 41.2165 0.5 . 1 . . 8289 . . 221 ASP CB . 25365 1 96 . 1 1 38 38 ASP N N 15 120.4275 0.12 . 1 . . 3912 . . 221 ASP N . 25365 1 97 . 1 1 39 39 GLU H H 1 8.1959 0.01 . 1 . . 3418 . . 222 GLU H . 25365 1 98 . 1 1 39 39 GLU CA C 13 53.4868 0.31 . 1 . . 6310 . . 222 GLU CA . 25365 1 99 . 1 1 39 39 GLU CB C 13 29.0344 0.5 . 1 . . 3428 . . 222 GLU CB . 25365 1 100 . 1 1 39 39 GLU N N 15 118.8591 0.12 . 1 . . 3420 . . 222 GLU N . 25365 1 101 . 1 1 40 40 ARG CA C 13 56.8122 0.31 . 1 . . 9016 . . 223 ARG CA . 25365 1 102 . 1 1 40 40 ARG CB C 13 30.5296 0.5 . 1 . . 9018 . . 223 ARG CB . 25365 1 103 . 1 1 41 41 THR H H 1 8.0833 0.01 . 1 . . 3969 . . 224 THR H . 25365 1 104 . 1 1 41 41 THR CA C 13 62.1116 0.31 . 1 . . 8260 . . 224 THR CA . 25365 1 105 . 1 1 41 41 THR CB C 13 69.4702 0.5 . 1 . . 8256 . . 224 THR CB . 25365 1 106 . 1 1 41 41 THR N N 15 114.0051 0.12 . 1 . . 3970 . . 224 THR N . 25365 1 107 . 1 1 42 42 ARG H H 1 8.2136 0.01 . 1 . . 3939 . . 225 ARG H . 25365 1 108 . 1 1 42 42 ARG CA C 13 56.3729 0.31 . 1 . . 6082 . . 225 ARG CA . 25365 1 109 . 1 1 42 42 ARG CB C 13 30.8351 0.5 . 1 . . 6086 . . 225 ARG CB . 25365 1 110 . 1 1 42 42 ARG N N 15 122.7582 0.12 . 1 . . 3940 . . 225 ARG N . 25365 1 111 . 1 1 45 45 PRO CA C 13 63.2211 0.31 . 1 . . 3635 . . 228 PRO CA . 25365 1 112 . 1 1 45 45 PRO CB C 13 32.2400 0.5 . 1 . . 3656 . . 228 PRO CB . 25365 1 113 . 1 1 46 46 ARG H H 1 8.5668 0.01 . 1 . . 3268 . . 229 ARG H . 25365 1 114 . 1 1 46 46 ARG CA C 13 56.2426 0.31 . 1 . . 8076 . . 229 ARG CA . 25365 1 115 . 1 1 46 46 ARG CB C 13 30.5403 0.5 . 1 . . 8080 . . 229 ARG CB . 25365 1 116 . 1 1 46 46 ARG N N 15 121.5658 0.12 . 1 . . 3270 . . 229 ARG N . 25365 1 117 . 1 1 47 47 GLU H H 1 8.4090 0.01 . 1 . . 3175 . . 230 GLU H . 25365 1 118 . 1 1 47 47 GLU CA C 13 54.4245 0.31 . 1 . . 3176 . . 230 GLU CA . 25365 1 119 . 1 1 47 47 GLU CB C 13 29.9784 0.5 . 1 . . 5805 . . 230 GLU CB . 25365 1 120 . 1 1 47 47 GLU N N 15 122.9195 0.12 . 1 . . 3177 . . 230 GLU N . 25365 1 121 . 1 1 48 48 PRO CA C 13 63.3766 0.31 . 1 . . 3797 . . 231 PRO CA . 25365 1 122 . 1 1 48 48 PRO CB C 13 32.0772 0.5 . 1 . . 3803 . . 231 PRO CB . 25365 1 123 . 1 1 49 49 ASN H H 1 8.5203 0.01 . 1 . . 3442 . . 232 ASN H . 25365 1 124 . 1 1 49 49 ASN CA C 13 53.3566 0.31 . 1 . . 8066 . . 232 ASN CA . 25365 1 125 . 1 1 49 49 ASN CB C 13 38.9693 0.5 . 1 . . 8070 . . 232 ASN CB . 25365 1 126 . 1 1 49 49 ASN N N 15 118.3326 0.12 . 1 . . 3444 . . 232 ASN N . 25365 1 127 . 1 1 50 50 LYS H H 1 8.3771 0.01 . 1 . . 8322 . . 233 LYS H . 25365 1 128 . 1 1 50 50 LYS CA C 13 56.3971 0.31 . 1 . . 8091 . . 233 LYS CA . 25365 1 129 . 1 1 50 50 LYS CB C 13 30.4693 0.5 . 1 . . 8095 . . 233 LYS CB . 25365 1 130 . 1 1 50 50 LYS N N 15 121.4038 0.12 . 1 . . 8323 . . 233 LYS N . 25365 1 131 . 1 1 51 51 TYR H H 1 8.4190 0.01 . 1 . . 3256 . . 234 TYR H . 25365 1 132 . 1 1 51 51 TYR CA C 13 54.4733 0.31 . 1 . . 9055 . . 234 TYR CA . 25365 1 133 . 1 1 51 51 TYR CB C 13 41.3571 0.5 . 1 . . 9051 . . 234 TYR CB . 25365 1 134 . 1 1 51 51 TYR N N 15 121.7274 0.12 . 1 . . 3258 . . 234 TYR N . 25365 1 135 . 1 1 57 57 ARG CA C 13 56.5324 0.31 . 1 . . 9146 . . 240 ARG CA . 25365 1 136 . 1 1 57 57 ARG CB C 13 30.2456 0.5 . 1 . . 9148 . . 240 ARG CB . 25365 1 137 . 1 1 58 58 ALA H H 1 8.2932 0.01 . 1 . . 3929 . . 241 ALA H . 25365 1 138 . 1 1 58 58 ALA CA C 13 52.1205 0.31 . 1 . . 9031 . . 241 ALA CA . 25365 1 139 . 1 1 58 58 ALA CB C 13 19.4823 0.5 . 1 . . 9035 . . 241 ALA CB . 25365 1 140 . 1 1 58 58 ALA N N 15 125.0614 0.12 . 1 . . 3930 . . 241 ALA N . 25365 1 141 . 1 1 59 59 PHE H H 1 8.2578 0.01 . 1 . . 3262 . . 242 PHE H . 25365 1 142 . 1 1 59 59 PHE CA C 13 56.4697 0.31 . 1 . . 9151 . . 242 PHE CA . 25365 1 143 . 1 1 59 59 PHE CB C 13 41.3822 0.5 . 1 . . 3278 . . 242 PHE CB . 25365 1 144 . 1 1 59 59 PHE N N 15 121.6938 0.12 . 1 . . 3264 . . 242 PHE N . 25365 1 145 . 1 1 76 76 PRO CA C 13 63.0678 0.31 . 1 . . 3842 . . 259 PRO CA . 25365 1 146 . 1 1 76 76 PRO CB C 13 31.9363 0.5 . 1 . . 8101 . . 259 PRO CB . 25365 1 147 . 1 1 77 77 THR H H 1 8.1731 0.01 . 1 . . 3953 . . 260 THR H . 25365 1 148 . 1 1 77 77 THR CA C 13 62.0003 0.31 . 1 . . 8248 . . 260 THR CA . 25365 1 149 . 1 1 77 77 THR CB C 13 69.8616 0.5 . 1 . . 8252 . . 260 THR CB . 25365 1 150 . 1 1 77 77 THR N N 15 114.2198 0.12 . 1 . . 3954 . . 260 THR N . 25365 1 151 . 1 1 78 78 GLN H H 1 8.3618 0.01 . 1 . . 3568 . . 261 GLN H . 25365 1 152 . 1 1 78 78 GLN CA C 13 55.6344 0.31 . 1 . . 8114 . . 261 GLN CA . 25365 1 153 . 1 1 78 78 GLN CB C 13 29.5997 0.5 . 1 . . 8110 . . 261 GLN CB . 25365 1 154 . 1 1 78 78 GLN N N 15 122.5689 0.12 . 1 . . 3570 . . 261 GLN N . 25365 1 155 . 1 1 79 79 ALA H H 1 8.3751 0.01 . 1 . . 3103 . . 262 ALA H . 25365 1 156 . 1 1 79 79 ALA CA C 13 52.5850 0.31 . 1 . . 8122 . . 262 ALA CA . 25365 1 157 . 1 1 79 79 ALA CB C 13 19.2408 0.5 . 1 . . 8126 . . 262 ALA CB . 25365 1 158 . 1 1 79 79 ALA N N 15 125.8753 0.12 . 1 . . 3105 . . 262 ALA N . 25365 1 159 . 1 1 80 80 ARG H H 1 8.3239 0.01 . 1 . . 3373 . . 263 ARG H . 25365 1 160 . 1 1 80 80 ARG CA C 13 56.2559 0.31 . 1 . . 8102 . . 263 ARG CA . 25365 1 161 . 1 1 80 80 ARG CB C 13 30.7838 0.5 . 1 . . 8106 . . 263 ARG CB . 25365 1 162 . 1 1 80 80 ARG N N 15 120.4363 0.12 . 1 . . 3375 . . 263 ARG N . 25365 1 163 . 1 1 81 81 ASP H H 1 8.0734 0.01 . 1 . . 3082 . . 264 ASP H . 25365 1 164 . 1 1 81 81 ASP CA C 13 55.9876 0.31 . 1 . . 6106 . . 264 ASP CA . 25365 1 165 . 1 1 81 81 ASP CB C 13 42.1016 0.5 . 1 . . 6110 . . 264 ASP CB . 25365 1 166 . 1 1 81 81 ASP N N 15 127.0807 0.12 . 1 . . 3084 . . 264 ASP N . 25365 1 stop_ save_