data_53008 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53008 _Entry.Title ; S-nitrosylated PTBP1-RRM2 with Raver1 peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-04-05 _Entry.Accession_date 2025-04-05 _Entry.Last_release_date 2025-04-07 _Entry.Original_release_date 2025-04-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Joseph Schindler . C. . 0000-0001-7034-9556 53008 2 Alfred Hausladen . . . . 53008 3 Jun Yang . . . . 53008 4 Jun Qin . . . . 53008 5 Jonathan Stamler . . . . 53008 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Case Western Reserve University' . 53008 2 . 'Cleveland Clinic' . 53008 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53008 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 94 53008 '1H chemical shifts' 94 53008 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 . . 2026-05-21 . original BMRB . 53008 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 53005 PTBP1-RRM2 53008 BMRB 53006 'S-nitrosylated PTBP1-RRM2' 53008 BMRB 53007 'Non-nitrosylated PTBP1-RRM2 with Raver1 peptide' 53008 PDB 3ZZY . 53008 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53008 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI 10.1016/j.molcel.2026.04.024 _Citation.Full_citation . _Citation.Title ; Nitric oxide drives proteomic diversity through alternative splicing ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Joseph Schindler . C. . . 53008 1 2 Puneet Seth . . . . 53008 1 3 Alfred Hausladen . . . . 53008 1 4 Ricky Chan . . . . 53008 1 5 Jun Yang . . . . 53008 1 6 Jun Qin . . . . 53008 1 7 Zhaoxia Qian . . . . 53008 1 8 Divya Seth . . . . 53008 1 9 Kathleen Lundberg . . . . 53008 1 10 Joseph Luna . M. . . 53008 1 11 Richard Premont . T. . . 53008 1 12 Jonathan Stamler . . . . 53008 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53008 _Assembly.ID 1 _Assembly.Name 'PTBP1-RRM2 interaction with Raver1' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange yes _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 PTBP1-RRM2 1 $entity_1 . . yes native no yes . . . 53008 1 2 Raver1 2 $entity_2 . . no native no yes . . . 53008 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 3ZZY . . 'solution NMR' . 'PTBP1-Raver1 Interaction without PTBP1 S-nitrosylation' . 53008 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53008 _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 ; GMAMAGQSPVLRIIVENLFY PVTLDVLHQIFSKFGTVLKI ITFTKNNQFQALLQYADPVS AQHAKLSLDGQNIYNACCTL RIDFSKLTSLNVKYNNDKSR DYTRPDLPSG ; _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 110 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'RRM-2 domain of PTBP1' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14160 _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 1 174 GLY . 53008 1 2 175 MET . 53008 1 3 176 ALA . 53008 1 4 177 MET . 53008 1 5 178 ALA . 53008 1 6 179 GLY . 53008 1 7 180 GLN . 53008 1 8 181 SER . 53008 1 9 182 PRO . 53008 1 10 183 VAL . 53008 1 11 184 LEU . 53008 1 12 185 ARG . 53008 1 13 186 ILE . 53008 1 14 187 ILE . 53008 1 15 188 VAL . 53008 1 16 189 GLU . 53008 1 17 190 ASN . 53008 1 18 191 LEU . 53008 1 19 192 PHE . 53008 1 20 193 TYR . 53008 1 21 194 PRO . 53008 1 22 195 VAL . 53008 1 23 196 THR . 53008 1 24 197 LEU . 53008 1 25 198 ASP . 53008 1 26 199 VAL . 53008 1 27 200 LEU . 53008 1 28 201 HIS . 53008 1 29 202 GLN . 53008 1 30 203 ILE . 53008 1 31 204 PHE . 53008 1 32 205 SER . 53008 1 33 206 LYS . 53008 1 34 207 PHE . 53008 1 35 208 GLY . 53008 1 36 209 THR . 53008 1 37 210 VAL . 53008 1 38 211 LEU . 53008 1 39 212 LYS . 53008 1 40 213 ILE . 53008 1 41 214 ILE . 53008 1 42 215 THR . 53008 1 43 216 PHE . 53008 1 44 217 THR . 53008 1 45 218 LYS . 53008 1 46 219 ASN . 53008 1 47 220 ASN . 53008 1 48 221 GLN . 53008 1 49 222 PHE . 53008 1 50 223 GLN . 53008 1 51 224 ALA . 53008 1 52 225 LEU . 53008 1 53 226 LEU . 53008 1 54 227 GLN . 53008 1 55 228 TYR . 53008 1 56 229 ALA . 53008 1 57 230 ASP . 53008 1 58 231 PRO . 53008 1 59 232 VAL . 53008 1 60 233 SER . 53008 1 61 234 ALA . 53008 1 62 235 GLN . 53008 1 63 236 HIS . 53008 1 64 237 ALA . 53008 1 65 238 LYS . 53008 1 66 239 LEU . 53008 1 67 240 SER . 53008 1 68 241 LEU . 53008 1 69 242 ASP . 53008 1 70 243 GLY . 53008 1 71 244 GLN . 53008 1 72 245 ASN . 53008 1 73 246 ILE . 53008 1 74 247 TYR . 53008 1 75 248 ASN . 53008 1 76 249 ALA . 53008 1 77 250 CYS . 53008 1 78 251 CYS . 53008 1 79 252 THR . 53008 1 80 253 LEU . 53008 1 81 254 ARG . 53008 1 82 255 ILE . 53008 1 83 256 ASP . 53008 1 84 257 PHE . 53008 1 85 258 SER . 53008 1 86 259 LYS . 53008 1 87 260 LEU . 53008 1 88 261 THR . 53008 1 89 262 SER . 53008 1 90 263 LEU . 53008 1 91 264 ASN . 53008 1 92 265 VAL . 53008 1 93 266 LYS . 53008 1 94 267 TYR . 53008 1 95 268 ASN . 53008 1 96 269 ASN . 53008 1 97 270 ASP . 53008 1 98 271 LYS . 53008 1 99 272 SER . 53008 1 100 273 ARG . 53008 1 101 274 ASP . 53008 1 102 275 TYR . 53008 1 103 276 THR . 53008 1 104 277 ARG . 53008 1 105 278 PRO . 53008 1 106 279 ASP . 53008 1 107 280 LEU . 53008 1 108 281 PRO . 53008 1 109 282 SER . 53008 1 110 283 GLY . 53008 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 53008 1 . MET 2 2 53008 1 . ALA 3 3 53008 1 . MET 4 4 53008 1 . ALA 5 5 53008 1 . GLY 6 6 53008 1 . GLN 7 7 53008 1 . SER 8 8 53008 1 . PRO 9 9 53008 1 . VAL 10 10 53008 1 . LEU 11 11 53008 1 . ARG 12 12 53008 1 . ILE 13 13 53008 1 . ILE 14 14 53008 1 . VAL 15 15 53008 1 . GLU 16 16 53008 1 . ASN 17 17 53008 1 . LEU 18 18 53008 1 . PHE 19 19 53008 1 . TYR 20 20 53008 1 . PRO 21 21 53008 1 . VAL 22 22 53008 1 . THR 23 23 53008 1 . LEU 24 24 53008 1 . ASP 25 25 53008 1 . VAL 26 26 53008 1 . LEU 27 27 53008 1 . HIS 28 28 53008 1 . GLN 29 29 53008 1 . ILE 30 30 53008 1 . PHE 31 31 53008 1 . SER 32 32 53008 1 . LYS 33 33 53008 1 . PHE 34 34 53008 1 . GLY 35 35 53008 1 . THR 36 36 53008 1 . VAL 37 37 53008 1 . LEU 38 38 53008 1 . LYS 39 39 53008 1 . ILE 40 40 53008 1 . ILE 41 41 53008 1 . THR 42 42 53008 1 . PHE 43 43 53008 1 . THR 44 44 53008 1 . LYS 45 45 53008 1 . ASN 46 46 53008 1 . ASN 47 47 53008 1 . GLN 48 48 53008 1 . PHE 49 49 53008 1 . GLN 50 50 53008 1 . ALA 51 51 53008 1 . LEU 52 52 53008 1 . LEU 53 53 53008 1 . GLN 54 54 53008 1 . TYR 55 55 53008 1 . ALA 56 56 53008 1 . ASP 57 57 53008 1 . PRO 58 58 53008 1 . VAL 59 59 53008 1 . SER 60 60 53008 1 . ALA 61 61 53008 1 . GLN 62 62 53008 1 . HIS 63 63 53008 1 . ALA 64 64 53008 1 . LYS 65 65 53008 1 . LEU 66 66 53008 1 . SER 67 67 53008 1 . LEU 68 68 53008 1 . ASP 69 69 53008 1 . GLY 70 70 53008 1 . GLN 71 71 53008 1 . ASN 72 72 53008 1 . ILE 73 73 53008 1 . TYR 74 74 53008 1 . ASN 75 75 53008 1 . ALA 76 76 53008 1 . CYS 77 77 53008 1 . CYS 78 78 53008 1 . THR 79 79 53008 1 . LEU 80 80 53008 1 . ARG 81 81 53008 1 . ILE 82 82 53008 1 . ASP 83 83 53008 1 . PHE 84 84 53008 1 . SER 85 85 53008 1 . LYS 86 86 53008 1 . LEU 87 87 53008 1 . THR 88 88 53008 1 . SER 89 89 53008 1 . LEU 90 90 53008 1 . ASN 91 91 53008 1 . VAL 92 92 53008 1 . LYS 93 93 53008 1 . TYR 94 94 53008 1 . ASN 95 95 53008 1 . ASN 96 96 53008 1 . ASP 97 97 53008 1 . LYS 98 98 53008 1 . SER 99 99 53008 1 . ARG 100 100 53008 1 . ASP 101 101 53008 1 . TYR 102 102 53008 1 . THR 103 103 53008 1 . ARG 104 104 53008 1 . PRO 105 105 53008 1 . ASP 106 106 53008 1 . LEU 107 107 53008 1 . PRO 108 108 53008 1 . SER 109 109 53008 1 . GLY 110 110 53008 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 53008 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _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 ; PGVSLLGAPPKD ; _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 12 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1150 _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 . PRO . 53008 2 2 . GLY . 53008 2 3 . VAL . 53008 2 4 . SER . 53008 2 5 . LEU . 53008 2 6 . LEU . 53008 2 7 . GLY . 53008 2 8 . ALA . 53008 2 9 . PRO . 53008 2 10 . PRO . 53008 2 11 . LYS . 53008 2 12 . ASP . 53008 2 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 . PRO 1 1 53008 2 . GLY 2 2 53008 2 . VAL 3 3 53008 2 . SER 4 4 53008 2 . LEU 5 5 53008 2 . LEU 6 6 53008 2 . GLY 7 7 53008 2 . ALA 8 8 53008 2 . PRO 9 9 53008 2 . PRO 10 10 53008 2 . LYS 11 11 53008 2 . ASP 12 12 53008 2 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 53008 _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 . . . . . . . . . . . . . 53008 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 53008 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 53008 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21-CodonPlus (DE3)-RIPL' . . plasmid . . pET-28a(+) . . . 53008 1 2 2 $entity_2 . 'chemical synthesis' . . . . . . . . . plasmid . . . . . . 53008 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53008 _Sample.ID 1 _Sample.Name 'PTBP1 protein preparation' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PTBP1-RRM2 [U-15N] . . 1 $entity_1 . . 150 . . uM . . . . 53008 1 2 'Raver1 Interacting Peptide' 'natural abundance' . . 2 $entity_2 . . 1500 . . uM . . . . 53008 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 53008 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'PTBP1 Samples' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 53008 1 pressure 1 . atm 53008 1 temperature 298 . K 53008 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53008 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53008 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53008 _Software.ID 2 _Software.Type . _Software.Name POKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 53008 2 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 53008 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker-BioSpin Avance ICE 600 MHz NMR Spectrometer' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 53008 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53008 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 53008 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'PTBP1 Shifts' _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 H 1 na protons . . . . ppm 0 na direct 1 . . . . . 53008 1 N 15 na nitrogen . . . . ppm 0 na direct 1 . . . . . 53008 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 53008 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'S-nitrosylated PTBP1-RRM2 with Raver1 peptide' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 53008 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 . . 53008 1 2 $software_2 . . 53008 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 GLY H H 1 8.356 0.03 . 1 . . . . . 174 GLY H . 53008 1 2 . 1 . 1 1 1 GLY N N 15 107.106 0.25 . 1 . . . . . 174 GLY N . 53008 1 3 . 1 . 1 6 6 GLY H H 1 8.153 0.03 . 1 . . . . . 179 GLY H . 53008 1 4 . 1 . 1 6 6 GLY N N 15 108.550 0.25 . 1 . . . . . 179 GLY N . 53008 1 5 . 1 . 1 7 7 GLN H H 1 7.596 0.03 . 1 . . . . . 180 GLN H . 53008 1 6 . 1 . 1 7 7 GLN N N 15 118.308 0.25 . 1 . . . . . 180 GLN N . 53008 1 7 . 1 . 1 8 8 SER H H 1 7.549 0.03 . 1 . . . . . 181 SER H . 53008 1 8 . 1 . 1 8 8 SER N N 15 116.364 0.25 . 1 . . . . . 181 SER N . 53008 1 9 . 1 . 1 10 10 VAL H H 1 8.401 0.03 . 1 . . . . . 183 VAL H . 53008 1 10 . 1 . 1 10 10 VAL N N 15 121.017 0.25 . 1 . . . . . 183 VAL N . 53008 1 11 . 1 . 1 11 11 LEU H H 1 9.085 0.03 . 1 . . . . . 184 LEU H . 53008 1 12 . 1 . 1 11 11 LEU N N 15 124.944 0.25 . 1 . . . . . 184 LEU N . 53008 1 13 . 1 . 1 12 12 ARG H H 1 8.967 0.03 . 1 . . . . . 185 ARG H . 53008 1 14 . 1 . 1 12 12 ARG N N 15 121.733 0.25 . 1 . . . . . 185 ARG N . 53008 1 15 . 1 . 1 13 13 ILE H H 1 9.429 0.03 . 1 . . . . . 186 ILE H . 53008 1 16 . 1 . 1 13 13 ILE N N 15 129.189 0.25 . 1 . . . . . 186 ILE N . 53008 1 17 . 1 . 1 14 14 ILE H H 1 9.135 0.03 . 1 . . . . . 187 ILE H . 53008 1 18 . 1 . 1 14 14 ILE N N 15 127.881 0.25 . 1 . . . . . 187 ILE N . 53008 1 19 . 1 . 1 15 15 VAL H H 1 7.921 0.03 . 1 . . . . . 188 VAL H . 53008 1 20 . 1 . 1 15 15 VAL N N 15 124.548 0.25 . 1 . . . . . 188 VAL N . 53008 1 21 . 1 . 1 16 16 GLU H H 1 8.987 0.03 . 1 . . . . . 189 GLU H . 53008 1 22 . 1 . 1 16 16 GLU N N 15 126.000 0.25 . 1 . . . . . 189 GLU N . 53008 1 23 . 1 . 1 17 17 ASN H H 1 8.982 0.03 . 1 . . . . . 190 ASN H . 53008 1 24 . 1 . 1 17 17 ASN N N 15 118.094 0.25 . 1 . . . . . 190 ASN N . 53008 1 25 . 1 . 1 18 18 LEU H H 1 8.366 0.03 . 1 . . . . . 191 LEU H . 53008 1 26 . 1 . 1 18 18 LEU N N 15 123.221 0.25 . 1 . . . . . 191 LEU N . 53008 1 27 . 1 . 1 19 19 PHE H H 1 7.621 0.03 . 1 . . . . . 192 PHE H . 53008 1 28 . 1 . 1 19 19 PHE N N 15 126.062 0.25 . 1 . . . . . 192 PHE N . 53008 1 29 . 1 . 1 20 20 TYR H H 1 7.396 0.03 . 1 . . . . . 193 TYR H . 53008 1 30 . 1 . 1 20 20 TYR N N 15 117.548 0.25 . 1 . . . . . 193 TYR N . 53008 1 31 . 1 . 1 22 22 VAL H H 1 7.692 0.03 . 1 . . . . . 195 VAL H . 53008 1 32 . 1 . 1 22 22 VAL N N 15 121.792 0.25 . 1 . . . . . 195 VAL N . 53008 1 33 . 1 . 1 23 23 THR H H 1 6.694 0.03 . 1 . . . . . 196 THR H . 53008 1 34 . 1 . 1 23 23 THR N N 15 113.278 0.25 . 1 . . . . . 196 THR N . 53008 1 35 . 1 . 1 24 24 LEU H H 1 8.859 0.03 . 1 . . . . . 197 LEU H . 53008 1 36 . 1 . 1 24 24 LEU N N 15 121.346 0.25 . 1 . . . . . 197 LEU N . 53008 1 37 . 1 . 1 25 25 ASP H H 1 8.068 0.03 . 1 . . . . . 198 ASP H . 53008 1 38 . 1 . 1 25 25 ASP N N 15 115.603 0.25 . 1 . . . . . 198 ASP N . 53008 1 39 . 1 . 1 26 26 VAL H H 1 7.523 0.03 . 1 . . . . . 199 VAL H . 53008 1 40 . 1 . 1 26 26 VAL N N 15 121.876 0.25 . 1 . . . . . 199 VAL N . 53008 1 41 . 1 . 1 27 27 LEU H H 1 7.744 0.03 . 1 . . . . . 200 LEU H . 53008 1 42 . 1 . 1 27 27 LEU N N 15 118.209 0.25 . 1 . . . . . 200 LEU N . 53008 1 43 . 1 . 1 28 28 HIS H H 1 9.092 0.03 . 1 . . . . . 201 HIS H . 53008 1 44 . 1 . 1 28 28 HIS N N 15 119.293 0.25 . 1 . . . . . 201 HIS N . 53008 1 45 . 1 . 1 29 29 GLN H H 1 8.413 0.03 . 1 . . . . . 202 GLN H . 53008 1 46 . 1 . 1 29 29 GLN N N 15 121.765 0.25 . 1 . . . . . 202 GLN N . 53008 1 47 . 1 . 1 30 30 ILE H H 1 7.922 0.03 . 1 . . . . . 203 ILE H . 53008 1 48 . 1 . 1 30 30 ILE N N 15 117.367 0.25 . 1 . . . . . 203 ILE N . 53008 1 49 . 1 . 1 31 31 PHE H H 1 8.503 0.03 . 1 . . . . . 204 PHE H . 53008 1 50 . 1 . 1 31 31 PHE N N 15 114.730 0.25 . 1 . . . . . 204 PHE N . 53008 1 51 . 1 . 1 32 32 SER H H 1 8.534 0.03 . 1 . . . . . 205 SER H . 53008 1 52 . 1 . 1 32 32 SER N N 15 120.615 0.25 . 1 . . . . . 205 SER N . 53008 1 53 . 1 . 1 33 33 LYS H H 1 6.704 0.03 . 1 . . . . . 206 LYS H . 53008 1 54 . 1 . 1 33 33 LYS N N 15 118.581 0.25 . 1 . . . . . 206 LYS N . 53008 1 55 . 1 . 1 34 34 PHE H H 1 7.071 0.03 . 1 . . . . . 207 PHE H . 53008 1 56 . 1 . 1 34 34 PHE N N 15 112.514 0.25 . 1 . . . . . 207 PHE N . 53008 1 57 . 1 . 1 35 35 GLY H H 1 7.332 0.03 . 1 . . . . . 208 GLY H . 53008 1 58 . 1 . 1 35 35 GLY N N 15 106.168 0.25 . 1 . . . . . 208 GLY N . 53008 1 59 . 1 . 1 36 36 THR H H 1 8.660 0.03 . 1 . . . . . 209 THR H . 53008 1 60 . 1 . 1 36 36 THR N N 15 115.696 0.25 . 1 . . . . . 209 THR N . 53008 1 61 . 1 . 1 37 37 VAL H H 1 9.012 0.03 . 1 . . . . . 210 VAL H . 53008 1 62 . 1 . 1 37 37 VAL N N 15 130.561 0.25 . 1 . . . . . 210 VAL N . 53008 1 63 . 1 . 1 38 38 LEU H H 1 9.107 0.03 . 1 . . . . . 211 LEU H . 53008 1 64 . 1 . 1 38 38 LEU N N 15 125.628 0.25 . 1 . . . . . 211 LEU N . 53008 1 65 . 1 . 1 39 39 LYS H H 1 7.153 0.03 . 1 . . . . . 212 LYS H . 53008 1 66 . 1 . 1 39 39 LYS N N 15 113.113 0.25 . 1 . . . . . 212 LYS N . 53008 1 67 . 1 . 1 40 40 ILE H H 1 8.765 0.03 . 1 . . . . . 213 ILE H . 53008 1 68 . 1 . 1 40 40 ILE N N 15 119.066 0.25 . 1 . . . . . 213 ILE N . 53008 1 69 . 1 . 1 41 41 ILE H H 1 8.910 0.03 . 1 . . . . . 214 ILE H . 53008 1 70 . 1 . 1 41 41 ILE N N 15 124.550 0.25 . 1 . . . . . 214 ILE N . 53008 1 71 . 1 . 1 42 42 THR H H 1 8.500 0.03 . 1 . . . . . 215 THR H . 53008 1 72 . 1 . 1 42 42 THR N N 15 116.049 0.25 . 1 . . . . . 215 THR N . 53008 1 73 . 1 . 1 43 43 PHE H H 1 8.362 0.03 . 1 . . . . . 216 PHE H . 53008 1 74 . 1 . 1 43 43 PHE N N 15 116.106 0.25 . 1 . . . . . 216 PHE N . 53008 1 75 . 1 . 1 44 44 THR H H 1 8.390 0.03 . 1 . . . . . 217 THR H . 53008 1 76 . 1 . 1 44 44 THR N N 15 114.021 0.25 . 1 . . . . . 217 THR N . 53008 1 77 . 1 . 1 45 45 LYS H H 1 8.424 0.03 . 1 . . . . . 218 LYS H . 53008 1 78 . 1 . 1 45 45 LYS N N 15 126.417 0.25 . 1 . . . . . 218 LYS N . 53008 1 79 . 1 . 1 47 47 ASN H H 1 8.848 0.03 . 1 . . . . . 220 ASN H . 53008 1 80 . 1 . 1 47 47 ASN N N 15 109.778 0.25 . 1 . . . . . 220 ASN N . 53008 1 81 . 1 . 1 48 48 GLN H H 1 7.800 0.03 . 1 . . . . . 221 GLN H . 53008 1 82 . 1 . 1 48 48 GLN N N 15 118.105 0.25 . 1 . . . . . 221 GLN N . 53008 1 83 . 1 . 1 49 49 PHE H H 1 8.936 0.03 . 1 . . . . . 222 PHE H . 53008 1 84 . 1 . 1 49 49 PHE N N 15 127.697 0.25 . 1 . . . . . 222 PHE N . 53008 1 85 . 1 . 1 50 50 GLN H H 1 8.087 0.03 . 1 . . . . . 223 GLN H . 53008 1 86 . 1 . 1 50 50 GLN N N 15 126.235 0.25 . 1 . . . . . 223 GLN N . 53008 1 87 . 1 . 1 51 51 ALA H H 1 8.983 0.03 . 1 . . . . . 224 ALA H . 53008 1 88 . 1 . 1 51 51 ALA N N 15 118.938 0.25 . 1 . . . . . 224 ALA N . 53008 1 89 . 1 . 1 52 52 LEU H H 1 9.024 0.03 . 1 . . . . . 225 LEU H . 53008 1 90 . 1 . 1 52 52 LEU N N 15 121.072 0.25 . 1 . . . . . 225 LEU N . 53008 1 91 . 1 . 1 53 53 LEU H H 1 8.490 0.03 . 1 . . . . . 226 LEU H . 53008 1 92 . 1 . 1 53 53 LEU N N 15 124.216 0.25 . 1 . . . . . 226 LEU N . 53008 1 93 . 1 . 1 54 54 GLN H H 1 8.823 0.03 . 1 . . . . . 227 GLN H . 53008 1 94 . 1 . 1 54 54 GLN N N 15 126.604 0.25 . 1 . . . . . 227 GLN N . 53008 1 95 . 1 . 1 55 55 TYR H H 1 8.863 0.03 . 1 . . . . . 228 TYR H . 53008 1 96 . 1 . 1 55 55 TYR N N 15 127.246 0.25 . 1 . . . . . 228 TYR N . 53008 1 97 . 1 . 1 56 56 ALA H H 1 8.281 0.03 . 1 . . . . . 229 ALA H . 53008 1 98 . 1 . 1 56 56 ALA N N 15 119.464 0.25 . 1 . . . . . 229 ALA N . 53008 1 99 . 1 . 1 57 57 ASP H H 1 7.715 0.03 . 1 . . . . . 230 ASP H . 53008 1 100 . 1 . 1 57 57 ASP N N 15 115.194 0.25 . 1 . . . . . 230 ASP N . 53008 1 101 . 1 . 1 59 59 VAL H H 1 8.475 0.03 . 1 . . . . . 232 VAL H . 53008 1 102 . 1 . 1 59 59 VAL N N 15 120.972 0.25 . 1 . . . . . 232 VAL N . 53008 1 103 . 1 . 1 60 60 SER H H 1 7.647 0.03 . 1 . . . . . 233 SER H . 53008 1 104 . 1 . 1 60 60 SER N N 15 117.088 0.25 . 1 . . . . . 233 SER N . 53008 1 105 . 1 . 1 61 61 ALA H H 1 6.437 0.03 . 1 . . . . . 234 ALA H . 53008 1 106 . 1 . 1 61 61 ALA N N 15 120.373 0.25 . 1 . . . . . 234 ALA N . 53008 1 107 . 1 . 1 62 62 GLN H H 1 7.647 0.03 . 1 . . . . . 235 GLN H . 53008 1 108 . 1 . 1 62 62 GLN N N 15 117.088 0.25 . 1 . . . . . 235 GLN N . 53008 1 109 . 1 . 1 63 63 HIS H H 1 8.140 0.03 . 1 . . . . . 236 HIS H . 53008 1 110 . 1 . 1 63 63 HIS N N 15 117.889 0.25 . 1 . . . . . 236 HIS N . 53008 1 111 . 1 . 1 64 64 ALA H H 1 8.313 0.03 . 1 . . . . . 237 ALA H . 53008 1 112 . 1 . 1 64 64 ALA N N 15 122.568 0.25 . 1 . . . . . 237 ALA N . 53008 1 113 . 1 . 1 65 65 LYS H H 1 7.963 0.03 . 1 . . . . . 238 LYS H . 53008 1 114 . 1 . 1 65 65 LYS N N 15 117.148 0.25 . 1 . . . . . 238 LYS N . 53008 1 115 . 1 . 1 66 66 LEU H H 1 7.706 0.03 . 1 . . . . . 239 LEU H . 53008 1 116 . 1 . 1 66 66 LEU N N 15 115.730 0.25 . 1 . . . . . 239 LEU N . 53008 1 117 . 1 . 1 67 67 SER H H 1 7.576 0.03 . 1 . . . . . 240 SER H . 53008 1 118 . 1 . 1 67 67 SER N N 15 112.061 0.25 . 1 . . . . . 240 SER N . 53008 1 119 . 1 . 1 68 68 LEU H H 1 8.007 0.03 . 1 . . . . . 241 LEU H . 53008 1 120 . 1 . 1 68 68 LEU N N 15 116.483 0.25 . 1 . . . . . 241 LEU N . 53008 1 121 . 1 . 1 69 69 ASP H H 1 7.349 0.03 . 1 . . . . . 242 ASP H . 53008 1 122 . 1 . 1 69 69 ASP N N 15 117.869 0.25 . 1 . . . . . 242 ASP N . 53008 1 123 . 1 . 1 70 70 GLY H H 1 9.095 0.03 . 1 . . . . . 243 GLY H . 53008 1 124 . 1 . 1 70 70 GLY N N 15 115.594 0.25 . 1 . . . . . 243 GLY N . 53008 1 125 . 1 . 1 71 71 GLN H H 1 7.998 0.03 . 1 . . . . . 244 GLN H . 53008 1 126 . 1 . 1 71 71 GLN N N 15 118.499 0.25 . 1 . . . . . 244 GLN N . 53008 1 127 . 1 . 1 72 72 ASN H H 1 8.546 0.03 . 1 . . . . . 245 ASN H . 53008 1 128 . 1 . 1 72 72 ASN N N 15 119.372 0.25 . 1 . . . . . 245 ASN N . 53008 1 129 . 1 . 1 77 77 CYS H H 1 8.092 0.03 . 1 . . . . . 250 CYS H . 53008 1 130 . 1 . 1 77 77 CYS N N 15 114.105 0.25 . 1 . . . . . 250 CYS N . 53008 1 131 . 1 . 1 79 79 THR H H 1 8.135 0.03 . 1 . . . . . 252 THR H . 53008 1 132 . 1 . 1 79 79 THR N N 15 119.611 0.25 . 1 . . . . . 252 THR N . 53008 1 133 . 1 . 1 80 80 LEU H H 1 8.908 0.03 . 1 . . . . . 253 LEU H . 53008 1 134 . 1 . 1 80 80 LEU N N 15 127.526 0.25 . 1 . . . . . 253 LEU N . 53008 1 135 . 1 . 1 81 81 ARG H H 1 9.016 0.03 . 1 . . . . . 254 ARG H . 53008 1 136 . 1 . 1 81 81 ARG N N 15 123.196 0.25 . 1 . . . . . 254 ARG N . 53008 1 137 . 1 . 1 82 82 ILE H H 1 8.857 0.03 . 1 . . . . . 255 ILE H . 53008 1 138 . 1 . 1 82 82 ILE N N 15 125.008 0.25 . 1 . . . . . 255 ILE N . 53008 1 139 . 1 . 1 83 83 ASP H H 1 8.874 0.03 . 1 . . . . . 256 ASP H . 53008 1 140 . 1 . 1 83 83 ASP N N 15 125.885 0.25 . 1 . . . . . 256 ASP N . 53008 1 141 . 1 . 1 84 84 PHE H H 1 8.804 0.03 . 1 . . . . . 257 PHE H . 53008 1 142 . 1 . 1 84 84 PHE N N 15 119.000 0.25 . 1 . . . . . 257 PHE N . 53008 1 143 . 1 . 1 85 85 SER H H 1 8.581 0.03 . 1 . . . . . 258 SER H . 53008 1 144 . 1 . 1 85 85 SER N N 15 116.967 0.25 . 1 . . . . . 258 SER N . 53008 1 145 . 1 . 1 86 86 LYS H H 1 8.344 0.03 . 1 . . . . . 259 LYS H . 53008 1 146 . 1 . 1 86 86 LYS N N 15 124.200 0.25 . 1 . . . . . 259 LYS N . 53008 1 147 . 1 . 1 87 87 LEU H H 1 8.366 0.03 . 1 . . . . . 260 LEU H . 53008 1 148 . 1 . 1 87 87 LEU N N 15 121.095 0.25 . 1 . . . . . 260 LEU N . 53008 1 149 . 1 . 1 88 88 THR H H 1 8.319 0.03 . 1 . . . . . 261 THR H . 53008 1 150 . 1 . 1 88 88 THR N N 15 108.172 0.25 . 1 . . . . . 261 THR N . 53008 1 151 . 1 . 1 89 89 SER H H 1 7.321 0.03 . 1 . . . . . 262 SER H . 53008 1 152 . 1 . 1 89 89 SER N N 15 112.234 0.25 . 1 . . . . . 262 SER N . 53008 1 153 . 1 . 1 90 90 LEU H H 1 8.000 0.03 . 1 . . . . . 263 LEU H . 53008 1 154 . 1 . 1 90 90 LEU N N 15 120.252 0.25 . 1 . . . . . 263 LEU N . 53008 1 155 . 1 . 1 92 92 VAL H H 1 8.097 0.03 . 1 . . . . . 265 VAL H . 53008 1 156 . 1 . 1 92 92 VAL N N 15 124.858 0.25 . 1 . . . . . 265 VAL N . 53008 1 157 . 1 . 1 93 93 LYS H H 1 8.354 0.03 . 1 . . . . . 266 LYS H . 53008 1 158 . 1 . 1 93 93 LYS N N 15 127.224 0.25 . 1 . . . . . 266 LYS N . 53008 1 159 . 1 . 1 94 94 TYR H H 1 7.087 0.03 . 1 . . . . . 267 TYR H . 53008 1 160 . 1 . 1 94 94 TYR N N 15 114.046 0.25 . 1 . . . . . 267 TYR N . 53008 1 161 . 1 . 1 95 95 ASN H H 1 7.765 0.03 . 1 . . . . . 268 ASN H . 53008 1 162 . 1 . 1 95 95 ASN N N 15 119.710 0.25 . 1 . . . . . 268 ASN N . 53008 1 163 . 1 . 1 96 96 ASN H H 1 9.389 0.03 . 1 . . . . . 269 ASN H . 53008 1 164 . 1 . 1 96 96 ASN N N 15 123.300 0.25 . 1 . . . . . 269 ASN N . 53008 1 165 . 1 . 1 97 97 ASP H H 1 8.670 0.03 . 1 . . . . . 270 ASP H . 53008 1 166 . 1 . 1 97 97 ASP N N 15 115.063 0.25 . 1 . . . . . 270 ASP N . 53008 1 167 . 1 . 1 98 98 LYS H H 1 8.666 0.03 . 1 . . . . . 271 LYS H . 53008 1 168 . 1 . 1 98 98 LYS N N 15 117.552 0.25 . 1 . . . . . 271 LYS N . 53008 1 169 . 1 . 1 99 99 SER H H 1 7.880 0.03 . 1 . . . . . 272 SER H . 53008 1 170 . 1 . 1 99 99 SER N N 15 114.145 0.25 . 1 . . . . . 272 SER N . 53008 1 171 . 1 . 1 100 100 ARG H H 1 8.977 0.03 . 1 . . . . . 273 ARG H . 53008 1 172 . 1 . 1 100 100 ARG N N 15 119.820 0.25 . 1 . . . . . 273 ARG N . 53008 1 173 . 1 . 1 101 101 ASP H H 1 8.933 0.03 . 1 . . . . . 274 ASP H . 53008 1 174 . 1 . 1 101 101 ASP N N 15 125.037 0.25 . 1 . . . . . 274 ASP N . 53008 1 175 . 1 . 1 102 102 TYR H H 1 9.008 0.03 . 1 . . . . . 275 TYR H . 53008 1 176 . 1 . 1 102 102 TYR N N 15 124.280 0.25 . 1 . . . . . 275 TYR N . 53008 1 177 . 1 . 1 103 103 THR H H 1 9.233 0.03 . 1 . . . . . 276 THR H . 53008 1 178 . 1 . 1 103 103 THR N N 15 111.221 0.25 . 1 . . . . . 276 THR N . 53008 1 179 . 1 . 1 104 104 ARG H H 1 6.847 0.03 . 1 . . . . . 277 ARG H . 53008 1 180 . 1 . 1 104 104 ARG N N 15 121.213 0.25 . 1 . . . . . 277 ARG N . 53008 1 181 . 1 . 1 106 106 ASP H H 1 8.710 0.03 . 1 . . . . . 279 ASP H . 53008 1 182 . 1 . 1 106 106 ASP N N 15 116.223 0.25 . 1 . . . . . 279 ASP N . 53008 1 183 . 1 . 1 107 107 LEU H H 1 6.923 0.03 . 1 . . . . . 280 LEU H . 53008 1 184 . 1 . 1 107 107 LEU N N 15 120.487 0.25 . 1 . . . . . 280 LEU N . 53008 1 185 . 1 . 1 109 109 SER H H 1 8.619 0.03 . 1 . . . . . 282 SER H . 53008 1 186 . 1 . 1 109 109 SER N N 15 113.252 0.25 . 1 . . . . . 282 SER N . 53008 1 187 . 1 . 1 110 110 GLY H H 1 7.588 0.03 . 1 . . . . . 283 GLY H . 53008 1 188 . 1 . 1 110 110 GLY N N 15 109.737 0.25 . 1 . . . . . 283 GLY N . 53008 1 stop_ save_