data_51067 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51067 _Entry.Title ; FUS RGG1 (164-267) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-08-25 _Entry.Accession_date 2021-08-25 _Entry.Last_release_date 2021-08-25 _Entry.Original_release_date 2021-08-25 _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 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Backbone Chemical Shift Assignments for the RGG1 domain of Fused in Sarcoma (FUS 164-267)' _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 Anastasia Murthy . C. . 0000-0002-2490-697X 51067 2 Nicolas Fawzi . L. . 0000-0001-5483-0577 51067 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Brown University' . 51067 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51067 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 208 51067 '15N chemical shifts' 66 51067 '1H chemical shifts' 66 51067 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 . . 2022-01-29 2021-08-25 update BMRB 'update entry citation' 51067 1 . . 2021-09-19 2021-08-25 original author 'original release' 51067 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51068 'Backbone chemical shift assignments for FUS RGG2 (372-422)' 51067 BMRB 51069 'Backbone chemical shift assignments for FUS RGG3 (453-507)' 51067 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51067 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34759379 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Molecular interactions contributing to FUS SYGQ LC-RGG phase separation and co-partitioning with RNA polymerase II heptads ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full 'Nature structural & molecular biology' _Citation.Journal_volume 28 _Citation.Journal_issue 11 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1545-9985 _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 923 _Citation.Page_last 935 _Citation.Year 2021 _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 Anastasia Murthy A. C. . . 51067 1 2 'Wai Shing' Tang W. S. . . 51067 1 3 Nina Jovic N. . . . 51067 1 4 Abigail Janke A. M. . . 51067 1 5 'Da Hee' Seo D. H. . . 51067 1 6 'Theodora Myrto' Perdikari T. M. . . 51067 1 7 Jeetain Mittal J. . . . 51067 1 8 Nicolas Fawzi N. L. . . 51067 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51067 _Assembly.ID 1 _Assembly.Name 'FUS RGG1' _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 yes _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 'FUS RGG1' 1 $entity_1 . . yes native yes yes . . . 51067 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51067 _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 ; SSGGGGGGGGGGNYGQDQSS MSSGGGSGGGYGNQDQSGGG GSGGYGQQDRGGRGRGGSGG GGGGGGGGYNRSSGGYEPRG RGGGRGGRGGMGGSDRGGFN KFGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 164 SER . 51067 1 2 165 SER . 51067 1 3 166 GLY . 51067 1 4 167 GLY . 51067 1 5 168 GLY . 51067 1 6 169 GLY . 51067 1 7 170 GLY . 51067 1 8 171 GLY . 51067 1 9 172 GLY . 51067 1 10 173 GLY . 51067 1 11 174 GLY . 51067 1 12 175 GLY . 51067 1 13 176 ASN . 51067 1 14 177 TYR . 51067 1 15 178 GLY . 51067 1 16 179 GLN . 51067 1 17 180 ASP . 51067 1 18 181 GLN . 51067 1 19 182 SER . 51067 1 20 183 SER . 51067 1 21 184 MET . 51067 1 22 185 SER . 51067 1 23 186 SER . 51067 1 24 187 GLY . 51067 1 25 188 GLY . 51067 1 26 189 GLY . 51067 1 27 190 SER . 51067 1 28 191 GLY . 51067 1 29 192 GLY . 51067 1 30 193 GLY . 51067 1 31 194 TYR . 51067 1 32 195 GLY . 51067 1 33 196 ASN . 51067 1 34 197 GLN . 51067 1 35 198 ASP . 51067 1 36 199 GLN . 51067 1 37 200 SER . 51067 1 38 201 GLY . 51067 1 39 202 GLY . 51067 1 40 203 GLY . 51067 1 41 204 GLY . 51067 1 42 205 SER . 51067 1 43 206 GLY . 51067 1 44 207 GLY . 51067 1 45 208 TYR . 51067 1 46 209 GLY . 51067 1 47 210 GLN . 51067 1 48 211 GLN . 51067 1 49 212 ASP . 51067 1 50 213 ARG . 51067 1 51 214 GLY . 51067 1 52 215 GLY . 51067 1 53 216 ARG . 51067 1 54 217 GLY . 51067 1 55 218 ARG . 51067 1 56 219 GLY . 51067 1 57 220 GLY . 51067 1 58 221 SER . 51067 1 59 222 GLY . 51067 1 60 223 GLY . 51067 1 61 224 GLY . 51067 1 62 225 GLY . 51067 1 63 226 GLY . 51067 1 64 227 GLY . 51067 1 65 228 GLY . 51067 1 66 229 GLY . 51067 1 67 230 GLY . 51067 1 68 231 GLY . 51067 1 69 232 TYR . 51067 1 70 233 ASN . 51067 1 71 234 ARG . 51067 1 72 235 SER . 51067 1 73 236 SER . 51067 1 74 237 GLY . 51067 1 75 238 GLY . 51067 1 76 239 TYR . 51067 1 77 240 GLU . 51067 1 78 241 PRO . 51067 1 79 242 ARG . 51067 1 80 243 GLY . 51067 1 81 244 ARG . 51067 1 82 245 GLY . 51067 1 83 246 GLY . 51067 1 84 247 GLY . 51067 1 85 248 ARG . 51067 1 86 249 GLY . 51067 1 87 250 GLY . 51067 1 88 251 ARG . 51067 1 89 252 GLY . 51067 1 90 253 GLY . 51067 1 91 254 MET . 51067 1 92 255 GLY . 51067 1 93 256 GLY . 51067 1 94 257 SER . 51067 1 95 258 ASP . 51067 1 96 259 ARG . 51067 1 97 260 GLY . 51067 1 98 261 GLY . 51067 1 99 262 PHE . 51067 1 100 263 ASN . 51067 1 101 264 LYS . 51067 1 102 265 PHE . 51067 1 103 266 GLY . 51067 1 104 267 GLY . 51067 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 51067 1 . SER 2 2 51067 1 . GLY 3 3 51067 1 . GLY 4 4 51067 1 . GLY 5 5 51067 1 . GLY 6 6 51067 1 . GLY 7 7 51067 1 . GLY 8 8 51067 1 . GLY 9 9 51067 1 . GLY 10 10 51067 1 . GLY 11 11 51067 1 . GLY 12 12 51067 1 . ASN 13 13 51067 1 . TYR 14 14 51067 1 . GLY 15 15 51067 1 . GLN 16 16 51067 1 . ASP 17 17 51067 1 . GLN 18 18 51067 1 . SER 19 19 51067 1 . SER 20 20 51067 1 . MET 21 21 51067 1 . SER 22 22 51067 1 . SER 23 23 51067 1 . GLY 24 24 51067 1 . GLY 25 25 51067 1 . GLY 26 26 51067 1 . SER 27 27 51067 1 . GLY 28 28 51067 1 . GLY 29 29 51067 1 . GLY 30 30 51067 1 . TYR 31 31 51067 1 . GLY 32 32 51067 1 . ASN 33 33 51067 1 . GLN 34 34 51067 1 . ASP 35 35 51067 1 . GLN 36 36 51067 1 . SER 37 37 51067 1 . GLY 38 38 51067 1 . GLY 39 39 51067 1 . GLY 40 40 51067 1 . GLY 41 41 51067 1 . SER 42 42 51067 1 . GLY 43 43 51067 1 . GLY 44 44 51067 1 . TYR 45 45 51067 1 . GLY 46 46 51067 1 . GLN 47 47 51067 1 . GLN 48 48 51067 1 . ASP 49 49 51067 1 . ARG 50 50 51067 1 . GLY 51 51 51067 1 . GLY 52 52 51067 1 . ARG 53 53 51067 1 . GLY 54 54 51067 1 . ARG 55 55 51067 1 . GLY 56 56 51067 1 . GLY 57 57 51067 1 . SER 58 58 51067 1 . GLY 59 59 51067 1 . GLY 60 60 51067 1 . GLY 61 61 51067 1 . GLY 62 62 51067 1 . GLY 63 63 51067 1 . GLY 64 64 51067 1 . GLY 65 65 51067 1 . GLY 66 66 51067 1 . GLY 67 67 51067 1 . GLY 68 68 51067 1 . TYR 69 69 51067 1 . ASN 70 70 51067 1 . ARG 71 71 51067 1 . SER 72 72 51067 1 . SER 73 73 51067 1 . GLY 74 74 51067 1 . GLY 75 75 51067 1 . TYR 76 76 51067 1 . GLU 77 77 51067 1 . PRO 78 78 51067 1 . ARG 79 79 51067 1 . GLY 80 80 51067 1 . ARG 81 81 51067 1 . GLY 82 82 51067 1 . GLY 83 83 51067 1 . GLY 84 84 51067 1 . ARG 85 85 51067 1 . GLY 86 86 51067 1 . GLY 87 87 51067 1 . ARG 88 88 51067 1 . GLY 89 89 51067 1 . GLY 90 90 51067 1 . MET 91 91 51067 1 . GLY 92 92 51067 1 . GLY 93 93 51067 1 . SER 94 94 51067 1 . ASP 95 95 51067 1 . ARG 96 96 51067 1 . GLY 97 97 51067 1 . GLY 98 98 51067 1 . PHE 99 99 51067 1 . ASN 100 100 51067 1 . LYS 101 101 51067 1 . PHE 102 102 51067 1 . GLY 103 103 51067 1 . GLY 104 104 51067 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 51067 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51067 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 51067 _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 . . pTHMT . . . 51067 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51067 _Sample.ID 1 _Sample.Name 'FUS RGG1' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'FUS RGG1 (164-267)' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1.8 . . mM . . . . 51067 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 51067 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 51067 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 51067 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'FUS RGG1' _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' 0.15 . M 51067 1 pH 5.5 . pH 51067 1 pressure 1 . atm 51067 1 temperature 298 . K 51067 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51067 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51067 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51067 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '850 MHz Bruker Avance III HD' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 51067 _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 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51067 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51067 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51067 1 4 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51067 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 51067 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'FUS RGG1' _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 TSP 'methyl carbons' . . . . ppm 117.081 external direct 1 . . . . . 51067 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . 51067 1 N 15 'ammonium chloride' nitrogen . . . . ppm 42.7 external direct 1 . . . . . 51067 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 51067 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'FUS RGG1' _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 '3D CBCA(CO)NH' . . . 51067 1 2 '3D HNCO' . . . 51067 1 3 '3D HNCACB' . . . 51067 1 4 '3D HN(CA)CO' . . . 51067 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51067 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 SER H H 1 8.392 0.00 . . . . . . . 164 SER HN . 51067 1 2 . 1 . 1 1 1 SER C C 13 171.854 0.01 . . . . . . . 164 SER C . 51067 1 3 . 1 . 1 1 1 SER CA C 13 55.735 0.01 . . . . . . . 164 SER CA . 51067 1 4 . 1 . 1 1 1 SER CB C 13 61.139 0.02 . . . . . . . 164 SER CB . 51067 1 5 . 1 . 1 1 1 SER N N 15 117.687 0.02 . . . . . . . 164 SER N . 51067 1 6 . 1 . 1 2 2 SER H H 1 8.344 0.00 . . . . . . . 165 SER HN . 51067 1 7 . 1 . 1 2 2 SER C C 13 172.301 0.01 . . . . . . . 165 SER C . 51067 1 8 . 1 . 1 2 2 SER CA C 13 55.766 0.06 . . . . . . . 165 SER CA . 51067 1 9 . 1 . 1 2 2 SER CB C 13 61.196 0.05 . . . . . . . 165 SER CB . 51067 1 10 . 1 . 1 2 2 SER N N 15 117.712 0.00 . . . . . . . 165 SER N . 51067 1 11 . 1 . 1 3 3 GLY H H 1 8.362 0.00 . . . . . . . 166 GLY HN . 51067 1 12 . 1 . 1 3 3 GLY C C 13 171.579 0.00 . . . . . . . 166 GLY C . 51067 1 13 . 1 . 1 3 3 GLY CA C 13 42.691 0.00 . . . . . . . 166 GLY CA . 51067 1 14 . 1 . 1 3 3 GLY N N 15 110.518 0.01 . . . . . . . 166 GLY N . 51067 1 15 . 1 . 1 12 12 GLY C C 13 171.006 0.00 . . . . . . . 175 GLY C . 51067 1 16 . 1 . 1 12 12 GLY CA C 13 42.577 0.00 . . . . . . . 175 GLY CA . 51067 1 17 . 1 . 1 13 13 ASN H H 1 8.178 0.00 . . . . . . . 176 ASN HN . 51067 1 18 . 1 . 1 13 13 ASN C C 13 172.240 0.01 . . . . . . . 176 ASN C . 51067 1 19 . 1 . 1 13 13 ASN CA C 13 50.340 0.11 . . . . . . . 176 ASN CA . 51067 1 20 . 1 . 1 13 13 ASN CB C 13 36.014 0.06 . . . . . . . 176 ASN CB . 51067 1 21 . 1 . 1 13 13 ASN N N 15 118.424 0.01 . . . . . . . 176 ASN N . 51067 1 22 . 1 . 1 14 14 TYR H H 1 8.136 0.00 . . . . . . . 177 TYR HN . 51067 1 23 . 1 . 1 14 14 TYR C C 13 173.698 0.00 . . . . . . . 177 TYR C . 51067 1 24 . 1 . 1 14 14 TYR CA C 13 55.447 0.01 . . . . . . . 177 TYR CA . 51067 1 25 . 1 . 1 14 14 TYR CB C 13 35.697 0.03 . . . . . . . 177 TYR CB . 51067 1 26 . 1 . 1 14 14 TYR N N 15 120.598 0.00 . . . . . . . 177 TYR N . 51067 1 27 . 1 . 1 15 15 GLY H H 1 8.249 0.00 . . . . . . . 178 GLY HN . 51067 1 28 . 1 . 1 15 15 GLY C C 13 171.512 0.01 . . . . . . . 178 GLY C . 51067 1 29 . 1 . 1 15 15 GLY CA C 13 42.676 0.02 . . . . . . . 178 GLY CA . 51067 1 30 . 1 . 1 15 15 GLY N N 15 110.251 0.03 . . . . . . . 178 GLY N . 51067 1 31 . 1 . 1 16 16 GLN H H 1 8.101 0.00 . . . . . . . 179 GLN HN . 51067 1 32 . 1 . 1 16 16 GLN C C 13 173.048 0.02 . . . . . . . 179 GLN C . 51067 1 33 . 1 . 1 16 16 GLN CA C 13 53.376 0.03 . . . . . . . 179 GLN CA . 51067 1 34 . 1 . 1 16 16 GLN CB C 13 26.580 0.08 . . . . . . . 179 GLN CB . 51067 1 35 . 1 . 1 16 16 GLN N N 15 119.588 0.01 . . . . . . . 179 GLN N . 51067 1 36 . 1 . 1 17 17 ASP H H 1 8.360 0.00 . . . . . . . 180 ASP HN . 51067 1 37 . 1 . 1 17 17 ASP CA C 13 51.718 0.01 . . . . . . . 180 ASP CA . 51067 1 38 . 1 . 1 17 17 ASP CB C 13 38.342 0.01 . . . . . . . 180 ASP CB . 51067 1 39 . 1 . 1 17 17 ASP N N 15 121.088 0.02 . . . . . . . 180 ASP N . 51067 1 40 . 1 . 1 18 18 GLN H H 1 8.357 0.00 . . . . . . . 181 GLN HN . 51067 1 41 . 1 . 1 18 18 GLN C C 13 173.838 0.01 . . . . . . . 181 GLN C . 51067 1 42 . 1 . 1 18 18 GLN CA C 13 53.602 0.01 . . . . . . . 181 GLN CA . 51067 1 43 . 1 . 1 18 18 GLN CB C 13 26.386 0.03 . . . . . . . 181 GLN CB . 51067 1 44 . 1 . 1 18 18 GLN N N 15 121.202 0.00 . . . . . . . 181 GLN N . 51067 1 45 . 1 . 1 19 19 SER H H 1 8.332 0.00 . . . . . . . 182 SER HN . 51067 1 46 . 1 . 1 19 19 SER C C 13 172.292 0.01 . . . . . . . 182 SER C . 51067 1 47 . 1 . 1 19 19 SER CA C 13 56.338 0.15 . . . . . . . 182 SER CA . 51067 1 48 . 1 . 1 19 19 SER CB C 13 60.957 0.02 . . . . . . . 182 SER CB . 51067 1 49 . 1 . 1 19 19 SER N N 15 116.445 0.00 . . . . . . . 182 SER N . 51067 1 50 . 1 . 1 20 20 SER H H 1 8.172 0.00 . . . . . . . 183 SER HN . 51067 1 51 . 1 . 1 20 20 SER C C 13 172.091 0.01 . . . . . . . 183 SER C . 51067 1 52 . 1 . 1 20 20 SER CA C 13 56.157 0.03 . . . . . . . 183 SER CA . 51067 1 53 . 1 . 1 20 20 SER CB C 13 60.947 0.01 . . . . . . . 183 SER CB . 51067 1 54 . 1 . 1 20 20 SER N N 15 117.166 0.02 . . . . . . . 183 SER N . 51067 1 55 . 1 . 1 21 21 MET H H 1 8.130 0.00 . . . . . . . 184 MET HN . 51067 1 56 . 1 . 1 21 21 MET C C 13 173.779 0.00 . . . . . . . 184 MET C . 51067 1 57 . 1 . 1 21 21 MET CA C 13 53.151 0.01 . . . . . . . 184 MET CA . 51067 1 58 . 1 . 1 21 21 MET CB C 13 30.091 0.00 . . . . . . . 184 MET CB . 51067 1 59 . 1 . 1 21 21 MET N N 15 121.490 0.01 . . . . . . . 184 MET N . 51067 1 60 . 1 . 1 22 22 SER H H 1 8.162 0.00 . . . . . . . 185 SER HN . 51067 1 61 . 1 . 1 22 22 SER C C 13 172.029 0.01 . . . . . . . 185 SER C . 51067 1 62 . 1 . 1 22 22 SER CA C 13 55.806 0.02 . . . . . . . 185 SER CA . 51067 1 63 . 1 . 1 22 22 SER CB C 13 61.099 0.02 . . . . . . . 185 SER CB . 51067 1 64 . 1 . 1 22 22 SER N N 15 116.245 0.02 . . . . . . . 185 SER N . 51067 1 65 . 1 . 1 23 23 SER H H 1 8.240 0.00 . . . . . . . 186 SER HN . 51067 1 66 . 1 . 1 23 23 SER C C 13 172.402 0.00 . . . . . . . 186 SER C . 51067 1 67 . 1 . 1 23 23 SER CA C 13 55.959 0.01 . . . . . . . 186 SER CA . 51067 1 68 . 1 . 1 23 23 SER CB C 13 61.141 0.00 . . . . . . . 186 SER CB . 51067 1 69 . 1 . 1 23 23 SER N N 15 117.499 0.01 . . . . . . . 186 SER N . 51067 1 70 . 1 . 1 24 24 GLY H H 1 8.317 0.00 . . . . . . . 187 GLY HN . 51067 1 71 . 1 . 1 24 24 GLY C C 13 172.054 0.00 . . . . . . . 187 GLY C . 51067 1 72 . 1 . 1 24 24 GLY CA C 13 42.820 0.00 . . . . . . . 187 GLY CA . 51067 1 73 . 1 . 1 24 24 GLY N N 15 110.521 0.02 . . . . . . . 187 GLY N . 51067 1 74 . 1 . 1 26 26 GLY C C 13 171.777 0.00 . . . . . . . 189 GLY C . 51067 1 75 . 1 . 1 26 26 GLY CA C 13 42.537 0.00 . . . . . . . 189 GLY CA . 51067 1 76 . 1 . 1 27 27 SER H H 1 8.258 0.00 . . . . . . . 190 SER HN . 51067 1 77 . 1 . 1 27 27 SER C C 13 172.567 0.02 . . . . . . . 190 SER C . 51067 1 78 . 1 . 1 27 27 SER CA C 13 55.868 0.02 . . . . . . . 190 SER CA . 51067 1 79 . 1 . 1 27 27 SER CB C 13 61.200 0.02 . . . . . . . 190 SER CB . 51067 1 80 . 1 . 1 27 27 SER N N 15 115.569 0.01 . . . . . . . 190 SER N . 51067 1 81 . 1 . 1 28 28 GLY H H 1 8.431 0.00 . . . . . . . 191 GLY HN . 51067 1 82 . 1 . 1 28 28 GLY C C 13 172.032 0.00 . . . . . . . 191 GLY C . 51067 1 83 . 1 . 1 28 28 GLY CA C 13 42.785 0.00 . . . . . . . 191 GLY CA . 51067 1 84 . 1 . 1 28 28 GLY N N 15 110.815 0.02 . . . . . . . 191 GLY N . 51067 1 85 . 1 . 1 30 30 GLY C C 13 171.274 0.00 . . . . . . . 193 GLY C . 51067 1 86 . 1 . 1 30 30 GLY CA C 13 42.393 0.00 . . . . . . . 193 GLY CA . 51067 1 87 . 1 . 1 31 31 TYR H H 1 8.037 0.00 . . . . . . . 194 TYR HN . 51067 1 88 . 1 . 1 31 31 TYR C C 13 173.791 0.00 . . . . . . . 194 TYR C . 51067 1 89 . 1 . 1 31 31 TYR CA C 13 55.305 0.05 . . . . . . . 194 TYR CA . 51067 1 90 . 1 . 1 31 31 TYR CB C 13 35.995 0.02 . . . . . . . 194 TYR CB . 51067 1 91 . 1 . 1 31 31 TYR N N 15 119.725 0.02 . . . . . . . 194 TYR N . 51067 1 92 . 1 . 1 32 32 GLY H H 1 8.301 0.00 . . . . . . . 195 GLY HN . 51067 1 93 . 1 . 1 32 32 GLY C C 13 171.191 0.00 . . . . . . . 195 GLY C . 51067 1 94 . 1 . 1 32 32 GLY CA C 13 42.618 0.04 . . . . . . . 195 GLY CA . 51067 1 95 . 1 . 1 32 32 GLY N N 15 110.240 0.01 . . . . . . . 195 GLY N . 51067 1 96 . 1 . 1 33 33 ASN H H 1 8.183 0.00 . . . . . . . 196 ASN HN . 51067 1 97 . 1 . 1 33 33 ASN C C 13 172.799 0.02 . . . . . . . 196 ASN C . 51067 1 98 . 1 . 1 33 33 ASN CA C 13 50.667 0.03 . . . . . . . 196 ASN CA . 51067 1 99 . 1 . 1 33 33 ASN CB C 13 36.117 0.02 . . . . . . . 196 ASN CB . 51067 1 100 . 1 . 1 33 33 ASN N N 15 118.537 0.01 . . . . . . . 196 ASN N . 51067 1 101 . 1 . 1 34 34 GLN H H 1 8.365 0.00 . . . . . . . 197 GLN HN . 51067 1 102 . 1 . 1 34 34 GLN C C 13 173.065 0.01 . . . . . . . 197 GLN C . 51067 1 103 . 1 . 1 34 34 GLN CA C 13 53.541 0.03 . . . . . . . 197 GLN CA . 51067 1 104 . 1 . 1 34 34 GLN CB C 13 26.523 0.02 . . . . . . . 197 GLN CB . 51067 1 105 . 1 . 1 34 34 GLN N N 15 120.383 0.02 . . . . . . . 197 GLN N . 51067 1 106 . 1 . 1 35 35 ASP H H 1 8.276 0.00 . . . . . . . 198 ASP HN . 51067 1 107 . 1 . 1 35 35 ASP C C 13 173.854 0.00 . . . . . . . 198 ASP C . 51067 1 108 . 1 . 1 35 35 ASP CA C 13 51.864 0.05 . . . . . . . 198 ASP CA . 51067 1 109 . 1 . 1 35 35 ASP CB C 13 38.344 0.03 . . . . . . . 198 ASP CB . 51067 1 110 . 1 . 1 35 35 ASP N N 15 120.994 0.01 . . . . . . . 198 ASP N . 51067 1 111 . 1 . 1 36 36 GLN H H 1 8.329 0.00 . . . . . . . 199 GLN HN . 51067 1 112 . 1 . 1 36 36 GLN C C 13 173.686 0.00 . . . . . . . 199 GLN C . 51067 1 113 . 1 . 1 36 36 GLN CA C 13 53.397 0.03 . . . . . . . 199 GLN CA . 51067 1 114 . 1 . 1 36 36 GLN CB C 13 26.365 0.01 . . . . . . . 199 GLN CB . 51067 1 115 . 1 . 1 36 36 GLN N N 15 121.064 0.01 . . . . . . . 199 GLN N . 51067 1 116 . 1 . 1 37 37 SER H H 1 8.322 0.00 . . . . . . . 200 SER HN . 51067 1 117 . 1 . 1 37 37 SER C C 13 172.643 0.01 . . . . . . . 200 SER C . 51067 1 118 . 1 . 1 37 37 SER CA C 13 56.350 0.01 . . . . . . . 200 SER CA . 51067 1 119 . 1 . 1 37 37 SER CB C 13 61.118 0.06 . . . . . . . 200 SER CB . 51067 1 120 . 1 . 1 37 37 SER N N 15 116.450 0.01 . . . . . . . 200 SER N . 51067 1 121 . 1 . 1 38 38 GLY H H 1 8.318 0.00 . . . . . . . 201 GLY HN . 51067 1 122 . 1 . 1 38 38 GLY C C 13 172.143 0.00 . . . . . . . 201 GLY C . 51067 1 123 . 1 . 1 38 38 GLY CA C 13 42.783 0.00 . . . . . . . 201 GLY CA . 51067 1 124 . 1 . 1 38 38 GLY N N 15 110.642 0.01 . . . . . . . 201 GLY N . 51067 1 125 . 1 . 1 41 41 GLY C C 13 171.777 0.00 . . . . . . . 204 GLY C . 51067 1 126 . 1 . 1 41 41 GLY CA C 13 42.516 0.00 . . . . . . . 204 GLY CA . 51067 1 127 . 1 . 1 42 42 SER H H 1 8.258 0.00 . . . . . . . 205 SER HN . 51067 1 128 . 1 . 1 42 42 SER C C 13 172.545 0.00 . . . . . . . 205 SER C . 51067 1 129 . 1 . 1 42 42 SER CA C 13 55.889 0.00 . . . . . . . 205 SER CA . 51067 1 130 . 1 . 1 42 42 SER N N 15 115.570 0.01 . . . . . . . 205 SER N . 51067 1 131 . 1 . 1 44 44 GLY C C 13 171.325 0.00 . . . . . . . 207 GLY C . 51067 1 132 . 1 . 1 44 44 GLY CA C 13 42.373 0.00 . . . . . . . 207 GLY CA . 51067 1 133 . 1 . 1 45 45 TYR H H 1 8.058 0.00 . . . . . . . 208 TYR HN . 51067 1 134 . 1 . 1 45 45 TYR C C 13 173.945 0.01 . . . . . . . 208 TYR C . 51067 1 135 . 1 . 1 45 45 TYR CA C 13 55.673 0.07 . . . . . . . 208 TYR CA . 51067 1 136 . 1 . 1 45 45 TYR CB C 13 35.912 0.00 . . . . . . . 208 TYR CB . 51067 1 137 . 1 . 1 45 45 TYR N N 15 119.898 0.01 . . . . . . . 208 TYR N . 51067 1 138 . 1 . 1 46 46 GLY H H 1 8.361 0.00 . . . . . . . 209 GLY HN . 51067 1 139 . 1 . 1 46 46 GLY C C 13 171.586 0.00 . . . . . . . 209 GLY C . 51067 1 140 . 1 . 1 46 46 GLY CA C 13 42.685 0.01 . . . . . . . 209 GLY CA . 51067 1 141 . 1 . 1 46 46 GLY N N 15 110.522 0.01 . . . . . . . 209 GLY N . 51067 1 142 . 1 . 1 47 47 GLN H H 1 8.108 0.00 . . . . . . . 210 GLN HN . 51067 1 143 . 1 . 1 47 47 GLN C C 13 173.568 0.00 . . . . . . . 210 GLN C . 51067 1 144 . 1 . 1 47 47 GLN CA C 13 53.462 0.13 . . . . . . . 210 GLN CA . 51067 1 145 . 1 . 1 47 47 GLN CB C 13 26.648 0.05 . . . . . . . 210 GLN CB . 51067 1 146 . 1 . 1 47 47 GLN N N 15 119.520 0.01 . . . . . . . 210 GLN N . 51067 1 147 . 1 . 1 48 48 GLN H H 1 8.372 0.00 . . . . . . . 211 GLN HN . 51067 1 148 . 1 . 1 48 48 GLN C C 13 173.019 0.01 . . . . . . . 211 GLN C . 51067 1 149 . 1 . 1 48 48 GLN CA C 13 53.499 0.03 . . . . . . . 211 GLN CA . 51067 1 150 . 1 . 1 48 48 GLN CB C 13 26.457 0.08 . . . . . . . 211 GLN CB . 51067 1 151 . 1 . 1 48 48 GLN N N 15 120.627 0.01 . . . . . . . 211 GLN N . 51067 1 152 . 1 . 1 49 49 ASP H H 1 8.277 0.00 . . . . . . . 212 ASP HN . 51067 1 153 . 1 . 1 49 49 ASP C C 13 173.789 0.01 . . . . . . . 212 ASP C . 51067 1 154 . 1 . 1 49 49 ASP CA C 13 51.704 0.02 . . . . . . . 212 ASP CA . 51067 1 155 . 1 . 1 49 49 ASP CB C 13 38.424 0.03 . . . . . . . 212 ASP CB . 51067 1 156 . 1 . 1 49 49 ASP N N 15 121.115 0.00 . . . . . . . 212 ASP N . 51067 1 157 . 1 . 1 50 50 ARG H H 1 8.279 0.00 . . . . . . . 213 ARG HN . 51067 1 158 . 1 . 1 50 50 ARG C C 13 174.353 0.01 . . . . . . . 213 ARG C . 51067 1 159 . 1 . 1 50 50 ARG CA C 13 53.705 0.01 . . . . . . . 213 ARG CA . 51067 1 160 . 1 . 1 50 50 ARG CB C 13 27.575 0.01 . . . . . . . 213 ARG CB . 51067 1 161 . 1 . 1 50 50 ARG N N 15 121.817 0.01 . . . . . . . 213 ARG N . 51067 1 162 . 1 . 1 51 51 GLY H H 1 8.395 0.00 . . . . . . . 214 GLY HN . 51067 1 163 . 1 . 1 51 51 GLY C C 13 172.113 0.00 . . . . . . . 214 GLY C . 51067 1 164 . 1 . 1 51 51 GLY CA C 13 42.845 0.00 . . . . . . . 214 GLY CA . 51067 1 165 . 1 . 1 51 51 GLY N N 15 109.064 0.01 . . . . . . . 214 GLY N . 51067 1 166 . 1 . 1 52 52 GLY C C 13 171.758 0.00 . . . . . . . 215 GLY C . 51067 1 167 . 1 . 1 52 52 GLY CA C 13 42.716 0.00 . . . . . . . 215 GLY CA . 51067 1 168 . 1 . 1 53 53 ARG H H 1 8.190 0.00 . . . . . . . 216 ARG HN . 51067 1 169 . 1 . 1 53 53 ARG C C 13 174.333 0.02 . . . . . . . 216 ARG C . 51067 1 170 . 1 . 1 53 53 ARG CA C 13 53.636 0.02 . . . . . . . 216 ARG CA . 51067 1 171 . 1 . 1 53 53 ARG CB C 13 27.868 0.02 . . . . . . . 216 ARG CB . 51067 1 172 . 1 . 1 53 53 ARG N N 15 120.172 0.03 . . . . . . . 216 ARG N . 51067 1 173 . 1 . 1 54 54 GLY H H 1 8.405 0.00 . . . . . . . 217 GLY HN . 51067 1 174 . 1 . 1 54 54 GLY C C 13 171.563 0.01 . . . . . . . 217 GLY C . 51067 1 175 . 1 . 1 54 54 GLY CA C 13 42.594 0.02 . . . . . . . 217 GLY CA . 51067 1 176 . 1 . 1 54 54 GLY N N 15 109.605 0.01 . . . . . . . 217 GLY N . 51067 1 177 . 1 . 1 55 55 ARG H H 1 8.161 0.00 . . . . . . . 218 ARG HN . 51067 1 178 . 1 . 1 55 55 ARG C C 13 174.319 0.03 . . . . . . . 218 ARG C . 51067 1 179 . 1 . 1 55 55 ARG CA C 13 53.589 0.02 . . . . . . . 218 ARG CA . 51067 1 180 . 1 . 1 55 55 ARG CB C 13 27.910 0.02 . . . . . . . 218 ARG CB . 51067 1 181 . 1 . 1 55 55 ARG N N 15 120.351 0.01 . . . . . . . 218 ARG N . 51067 1 182 . 1 . 1 56 56 GLY H H 1 8.422 0.01 . . . . . . . 219 GLY HN . 51067 1 183 . 1 . 1 56 56 GLY C C 13 171.929 0.00 . . . . . . . 219 GLY C . 51067 1 184 . 1 . 1 56 56 GLY CA C 13 42.622 0.00 . . . . . . . 219 GLY CA . 51067 1 185 . 1 . 1 56 56 GLY N N 15 109.756 0.02 . . . . . . . 219 GLY N . 51067 1 186 . 1 . 1 57 57 GLY C C 13 171.777 0.00 . . . . . . . 220 GLY C . 51067 1 187 . 1 . 1 57 57 GLY CA C 13 42.537 0.00 . . . . . . . 220 GLY CA . 51067 1 188 . 1 . 1 58 58 SER H H 1 8.258 0.00 . . . . . . . 221 SER HN . 51067 1 189 . 1 . 1 58 58 SER C C 13 172.557 0.01 . . . . . . . 221 SER C . 51067 1 190 . 1 . 1 58 58 SER CA C 13 55.899 0.03 . . . . . . . 221 SER CA . 51067 1 191 . 1 . 1 58 58 SER CB C 13 61.201 0.00 . . . . . . . 221 SER CB . 51067 1 192 . 1 . 1 58 58 SER N N 15 115.569 0.01 . . . . . . . 221 SER N . 51067 1 193 . 1 . 1 59 59 GLY H H 1 8.445 0.00 . . . . . . . 222 GLY HN . 51067 1 194 . 1 . 1 59 59 GLY C C 13 172.070 0.00 . . . . . . . 222 GLY C . 51067 1 195 . 1 . 1 59 59 GLY CA C 13 42.804 0.00 . . . . . . . 222 GLY CA . 51067 1 196 . 1 . 1 59 59 GLY N N 15 110.746 0.01 . . . . . . . 222 GLY N . 51067 1 197 . 1 . 1 68 68 GLY C C 13 171.216 0.00 . . . . . . . 231 GLY C . 51067 1 198 . 1 . 1 68 68 GLY CA C 13 42.362 0.00 . . . . . . . 231 GLY CA . 51067 1 199 . 1 . 1 69 69 TYR H H 1 7.977 0.00 . . . . . . . 232 TYR HN . 51067 1 200 . 1 . 1 69 69 TYR C C 13 172.802 0.00 . . . . . . . 232 TYR C . 51067 1 201 . 1 . 1 69 69 TYR CA C 13 55.225 0.07 . . . . . . . 232 TYR CA . 51067 1 202 . 1 . 1 69 69 TYR CB C 13 36.079 0.02 . . . . . . . 232 TYR CB . 51067 1 203 . 1 . 1 69 69 TYR N N 15 119.893 0.01 . . . . . . . 232 TYR N . 51067 1 204 . 1 . 1 70 70 ASN H H 1 8.288 0.00 . . . . . . . 233 ASN HN . 51067 1 205 . 1 . 1 70 70 ASN C C 13 172.221 0.01 . . . . . . . 233 ASN C . 51067 1 206 . 1 . 1 70 70 ASN CA C 13 53.622 0.13 . . . . . . . 233 ASN CA . 51067 1 207 . 1 . 1 70 70 ASN CB C 13 36.148 0.03 . . . . . . . 233 ASN CB . 51067 1 208 . 1 . 1 70 70 ASN N N 15 120.913 0.02 . . . . . . . 233 ASN N . 51067 1 209 . 1 . 1 71 71 ARG H H 1 8.169 0.00 . . . . . . . 234 ARG HN . 51067 1 210 . 1 . 1 71 71 ARG C C 13 173.772 0.00 . . . . . . . 234 ARG C . 51067 1 211 . 1 . 1 71 71 ARG CA C 13 53.681 0.03 . . . . . . . 234 ARG CA . 51067 1 212 . 1 . 1 71 71 ARG CB C 13 27.889 0.00 . . . . . . . 234 ARG CB . 51067 1 213 . 1 . 1 71 71 ARG N N 15 121.672 0.02 . . . . . . . 234 ARG N . 51067 1 214 . 1 . 1 72 72 SER H H 1 8.284 0.00 . . . . . . . 235 SER HN . 51067 1 215 . 1 . 1 72 72 SER C C 13 172.019 0.01 . . . . . . . 235 SER C . 51067 1 216 . 1 . 1 72 72 SER CA C 13 55.926 0.00 . . . . . . . 235 SER CA . 51067 1 217 . 1 . 1 72 72 SER CB C 13 61.086 0.03 . . . . . . . 235 SER CB . 51067 1 218 . 1 . 1 72 72 SER N N 15 116.547 0.01 . . . . . . . 235 SER N . 51067 1 219 . 1 . 1 73 73 SER H H 1 8.236 0.00 . . . . . . . 236 SER HN . 51067 1 220 . 1 . 1 73 73 SER C C 13 172.326 0.02 . . . . . . . 236 SER C . 51067 1 221 . 1 . 1 73 73 SER CA C 13 55.971 0.00 . . . . . . . 236 SER CA . 51067 1 222 . 1 . 1 73 73 SER CB C 13 61.201 0.00 . . . . . . . 236 SER CB . 51067 1 223 . 1 . 1 73 73 SER N N 15 117.418 0.01 . . . . . . . 236 SER N . 51067 1 224 . 1 . 1 74 74 GLY H H 1 8.293 0.00 . . . . . . . 237 GLY HN . 51067 1 225 . 1 . 1 74 74 GLY C C 13 171.716 0.00 . . . . . . . 237 GLY C . 51067 1 226 . 1 . 1 74 74 GLY CA C 13 42.701 0.00 . . . . . . . 237 GLY CA . 51067 1 227 . 1 . 1 74 74 GLY N N 15 110.445 0.01 . . . . . . . 237 GLY N . 51067 1 228 . 1 . 1 75 75 GLY C C 13 170.855 0.00 . . . . . . . 238 GLY C . 51067 1 229 . 1 . 1 75 75 GLY CA C 13 42.239 0.00 . . . . . . . 238 GLY CA . 51067 1 230 . 1 . 1 76 76 TYR H H 1 7.978 0.00 . . . . . . . 239 TYR HN . 51067 1 231 . 1 . 1 76 76 TYR C C 13 172.503 0.00 . . . . . . . 239 TYR C . 51067 1 232 . 1 . 1 76 76 TYR CA C 13 55.068 0.00 . . . . . . . 239 TYR CA . 51067 1 233 . 1 . 1 76 76 TYR CB C 13 36.200 0.02 . . . . . . . 239 TYR CB . 51067 1 234 . 1 . 1 76 76 TYR N N 15 120.032 0.01 . . . . . . . 239 TYR N . 51067 1 235 . 1 . 1 77 77 GLU H H 1 8.151 0.00 . . . . . . . 240 GLU HN . 51067 1 236 . 1 . 1 77 77 GLU C C 13 171.285 0.00 . . . . . . . 240 GLU C . 51067 1 237 . 1 . 1 77 77 GLU CA C 13 51.090 0.00 . . . . . . . 240 GLU CA . 51067 1 238 . 1 . 1 77 77 GLU CB C 13 27.462 0.00 . . . . . . . 240 GLU CB . 51067 1 239 . 1 . 1 77 77 GLU N N 15 125.146 0.01 . . . . . . . 240 GLU N . 51067 1 240 . 1 . 1 78 78 PRO C C 13 174.288 0.04 . . . . . . . 241 PRO C . 51067 1 241 . 1 . 1 78 78 PRO CA C 13 60.524 0.00 . . . . . . . 241 PRO CA . 51067 1 242 . 1 . 1 78 78 PRO CB C 13 29.143 0.00 . . . . . . . 241 PRO CB . 51067 1 243 . 1 . 1 79 79 ARG H H 1 8.361 0.00 . . . . . . . 242 ARG HN . 51067 1 244 . 1 . 1 79 79 ARG C C 13 174.245 0.01 . . . . . . . 242 ARG C . 51067 1 245 . 1 . 1 79 79 ARG CA C 13 53.549 0.02 . . . . . . . 242 ARG CA . 51067 1 246 . 1 . 1 79 79 ARG CB C 13 27.956 0.04 . . . . . . . 242 ARG CB . 51067 1 247 . 1 . 1 79 79 ARG N N 15 120.545 0.05 . . . . . . . 242 ARG N . 51067 1 248 . 1 . 1 80 80 GLY H H 1 8.277 0.00 . . . . . . . 243 GLY HN . 51067 1 249 . 1 . 1 80 80 GLY C C 13 171.476 0.00 . . . . . . . 243 GLY C . 51067 1 250 . 1 . 1 80 80 GLY CA C 13 42.454 0.02 . . . . . . . 243 GLY CA . 51067 1 251 . 1 . 1 80 80 GLY N N 15 109.437 0.02 . . . . . . . 243 GLY N . 51067 1 252 . 1 . 1 81 81 ARG H H 1 8.212 0.00 . . . . . . . 244 ARG HN . 51067 1 253 . 1 . 1 81 81 ARG C C 13 174.298 0.02 . . . . . . . 244 ARG C . 51067 1 254 . 1 . 1 81 81 ARG CA C 13 53.591 0.02 . . . . . . . 244 ARG CA . 51067 1 255 . 1 . 1 81 81 ARG CB C 13 27.965 0.01 . . . . . . . 244 ARG CB . 51067 1 256 . 1 . 1 81 81 ARG N N 15 120.386 0.00 . . . . . . . 244 ARG N . 51067 1 257 . 1 . 1 82 82 GLY H H 1 8.430 0.00 . . . . . . . 245 GLY HN . 51067 1 258 . 1 . 1 82 82 GLY C C 13 171.924 0.00 . . . . . . . 245 GLY C . 51067 1 259 . 1 . 1 82 82 GLY CA C 13 42.639 0.00 . . . . . . . 245 GLY CA . 51067 1 260 . 1 . 1 82 82 GLY N N 15 109.864 0.00 . . . . . . . 245 GLY N . 51067 1 261 . 1 . 1 84 84 GLY C C 13 171.641 0.00 . . . . . . . 247 GLY C . 51067 1 262 . 1 . 1 84 84 GLY CA C 13 42.516 0.00 . . . . . . . 247 GLY CA . 51067 1 263 . 1 . 1 85 85 ARG H H 1 8.236 0.00 . . . . . . . 248 ARG HN . 51067 1 264 . 1 . 1 85 85 ARG C C 13 174.311 0.02 . . . . . . . 248 ARG C . 51067 1 265 . 1 . 1 85 85 ARG CA C 13 53.581 0.01 . . . . . . . 248 ARG CA . 51067 1 266 . 1 . 1 85 85 ARG CB C 13 27.955 0.02 . . . . . . . 248 ARG CB . 51067 1 267 . 1 . 1 85 85 ARG N N 15 120.373 0.00 . . . . . . . 248 ARG N . 51067 1 268 . 1 . 1 86 86 GLY H H 1 8.430 0.00 . . . . . . . 249 GLY HN . 51067 1 269 . 1 . 1 86 86 GLY C C 13 171.939 0.00 . . . . . . . 249 GLY C . 51067 1 270 . 1 . 1 86 86 GLY CA C 13 42.660 0.00 . . . . . . . 249 GLY CA . 51067 1 271 . 1 . 1 86 86 GLY N N 15 109.863 0.00 . . . . . . . 249 GLY N . 51067 1 272 . 1 . 1 87 87 GLY C C 13 171.681 0.00 . . . . . . . 250 GLY C . 51067 1 273 . 1 . 1 87 87 GLY CA C 13 42.496 0.00 . . . . . . . 250 GLY CA . 51067 1 274 . 1 . 1 88 88 ARG H H 1 8.259 0.00 . . . . . . . 251 ARG HN . 51067 1 275 . 1 . 1 88 88 ARG C C 13 174.335 0.01 . . . . . . . 251 ARG C . 51067 1 276 . 1 . 1 88 88 ARG CA C 13 53.589 0.02 . . . . . . . 251 ARG CA . 51067 1 277 . 1 . 1 88 88 ARG CB C 13 27.921 0.01 . . . . . . . 251 ARG CB . 51067 1 278 . 1 . 1 88 88 ARG N N 15 120.382 0.01 . . . . . . . 251 ARG N . 51067 1 279 . 1 . 1 89 89 GLY H H 1 8.421 0.01 . . . . . . . 252 GLY HN . 51067 1 280 . 1 . 1 89 89 GLY C C 13 171.918 0.00 . . . . . . . 252 GLY C . 51067 1 281 . 1 . 1 89 89 GLY CA C 13 42.622 0.00 . . . . . . . 252 GLY CA . 51067 1 282 . 1 . 1 89 89 GLY N N 15 109.756 0.02 . . . . . . . 252 GLY N . 51067 1 283 . 1 . 1 90 90 GLY C C 13 171.730 0.00 . . . . . . . 253 GLY C . 51067 1 284 . 1 . 1 90 90 GLY CA C 13 42.598 0.00 . . . . . . . 253 GLY CA . 51067 1 285 . 1 . 1 91 91 MET H H 1 8.234 0.00 . . . . . . . 254 MET HN . 51067 1 286 . 1 . 1 91 91 MET C C 13 174.237 0.02 . . . . . . . 254 MET C . 51067 1 287 . 1 . 1 91 91 MET CA C 13 52.810 0.00 . . . . . . . 254 MET CA . 51067 1 288 . 1 . 1 91 91 MET CB C 13 30.091 0.02 . . . . . . . 254 MET CB . 51067 1 289 . 1 . 1 91 91 MET N N 15 119.472 0.01 . . . . . . . 254 MET N . 51067 1 290 . 1 . 1 92 92 GLY H H 1 8.440 0.00 . . . . . . . 255 GLY HN . 51067 1 291 . 1 . 1 92 92 GLY C C 13 171.898 0.00 . . . . . . . 255 GLY C . 51067 1 292 . 1 . 1 92 92 GLY CA C 13 42.680 0.00 . . . . . . . 255 GLY CA . 51067 1 293 . 1 . 1 92 92 GLY N N 15 109.912 0.02 . . . . . . . 255 GLY N . 51067 1 294 . 1 . 1 93 93 GLY C C 13 171.678 0.01 . . . . . . . 256 GLY C . 51067 1 295 . 1 . 1 93 93 GLY CA C 13 42.578 0.00 . . . . . . . 256 GLY CA . 51067 1 296 . 1 . 1 94 94 SER H H 1 8.200 0.00 . . . . . . . 257 SER HN . 51067 1 297 . 1 . 1 94 94 SER C C 13 171.650 0.01 . . . . . . . 257 SER C . 51067 1 298 . 1 . 1 94 94 SER CA C 13 55.798 0.01 . . . . . . . 257 SER CA . 51067 1 299 . 1 . 1 94 94 SER CB C 13 61.219 0.00 . . . . . . . 257 SER CB . 51067 1 300 . 1 . 1 94 94 SER N N 15 115.359 0.01 . . . . . . . 257 SER N . 51067 1 301 . 1 . 1 95 95 ASP H H 1 8.350 0.00 . . . . . . . 258 ASP HN . 51067 1 302 . 1 . 1 95 95 ASP C C 13 173.732 0.01 . . . . . . . 258 ASP C . 51067 1 303 . 1 . 1 95 95 ASP CA C 13 51.647 0.02 . . . . . . . 258 ASP CA . 51067 1 304 . 1 . 1 95 95 ASP CB C 13 38.344 0.01 . . . . . . . 258 ASP CB . 51067 1 305 . 1 . 1 95 95 ASP N N 15 122.097 0.02 . . . . . . . 258 ASP N . 51067 1 306 . 1 . 1 96 96 ARG H H 1 8.228 0.00 . . . . . . . 259 ARG HN . 51067 1 307 . 1 . 1 96 96 ARG C C 13 174.214 0.01 . . . . . . . 259 ARG C . 51067 1 308 . 1 . 1 96 96 ARG CA C 13 53.602 0.01 . . . . . . . 259 ARG CA . 51067 1 309 . 1 . 1 96 96 ARG CB C 13 27.678 0.01 . . . . . . . 259 ARG CB . 51067 1 310 . 1 . 1 96 96 ARG N N 15 121.205 0.01 . . . . . . . 259 ARG N . 51067 1 311 . 1 . 1 97 97 GLY H H 1 8.328 0.00 . . . . . . . 260 GLY HN . 51067 1 312 . 1 . 1 97 97 GLY C C 13 171.842 0.00 . . . . . . . 260 GLY C . 51067 1 313 . 1 . 1 97 97 GLY CA C 13 42.762 0.00 . . . . . . . 260 GLY CA . 51067 1 314 . 1 . 1 97 97 GLY N N 15 109.199 0.01 . . . . . . . 260 GLY N . 51067 1 315 . 1 . 1 98 98 GLY C C 13 171.274 0.00 . . . . . . . 261 GLY C . 51067 1 316 . 1 . 1 98 98 GLY CA C 13 42.431 0.00 . . . . . . . 261 GLY CA . 51067 1 317 . 1 . 1 99 99 PHE H H 1 8.037 0.00 . . . . . . . 262 PHE HN . 51067 1 318 . 1 . 1 99 99 PHE C C 13 172.888 0.01 . . . . . . . 262 PHE C . 51067 1 319 . 1 . 1 99 99 PHE CA C 13 55.227 0.06 . . . . . . . 262 PHE CA . 51067 1 320 . 1 . 1 99 99 PHE CB C 13 36.816 0.00 . . . . . . . 262 PHE CB . 51067 1 321 . 1 . 1 99 99 PHE N N 15 119.720 0.03 . . . . . . . 262 PHE N . 51067 1 322 . 1 . 1 100 100 ASN H H 1 8.292 0.00 . . . . . . . 263 ASN HN . 51067 1 323 . 1 . 1 100 100 ASN C C 13 172.394 0.00 . . . . . . . 263 ASN C . 51067 1 324 . 1 . 1 100 100 ASN CA C 13 50.249 0.00 . . . . . . . 263 ASN CA . 51067 1 325 . 1 . 1 100 100 ASN CB C 13 36.063 0.03 . . . . . . . 263 ASN CB . 51067 1 326 . 1 . 1 100 100 ASN N N 15 120.452 0.01 . . . . . . . 263 ASN N . 51067 1 327 . 1 . 1 101 101 LYS H H 1 8.034 0.00 . . . . . . . 264 LYS HN . 51067 1 328 . 1 . 1 101 101 LYS C C 13 173.594 0.02 . . . . . . . 264 LYS C . 51067 1 329 . 1 . 1 101 101 LYS CA C 13 54.139 0.12 . . . . . . . 264 LYS CA . 51067 1 330 . 1 . 1 101 101 LYS CB C 13 29.984 0.02 . . . . . . . 264 LYS CB . 51067 1 331 . 1 . 1 101 101 LYS N N 15 121.546 0.01 . . . . . . . 264 LYS N . 51067 1 332 . 1 . 1 102 102 PHE H H 1 8.115 0.00 . . . . . . . 265 PHE HN . 51067 1 333 . 1 . 1 102 102 PHE C C 13 173.630 0.01 . . . . . . . 265 PHE C . 51067 1 334 . 1 . 1 102 102 PHE CA C 13 54.939 0.01 . . . . . . . 265 PHE CA . 51067 1 335 . 1 . 1 102 102 PHE CB C 13 36.579 0.01 . . . . . . . 265 PHE CB . 51067 1 336 . 1 . 1 102 102 PHE N N 15 119.919 0.02 . . . . . . . 265 PHE N . 51067 1 337 . 1 . 1 103 103 GLY H H 1 8.148 0.00 . . . . . . . 266 GLY HN . 51067 1 338 . 1 . 1 103 103 GLY C C 13 171.792 0.00 . . . . . . . 266 GLY C . 51067 1 339 . 1 . 1 103 103 GLY CA C 13 42.832 0.00 . . . . . . . 266 GLY CA . 51067 1 340 . 1 . 1 103 103 GLY N N 15 110.245 0.02 . . . . . . . 266 GLY N . 51067 1 stop_ save_