data_27915 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27915 _Entry.Title ; NFkappaB p50DD homodimer ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-05-16 _Entry.Accession_date 2019-05-16 _Entry.Last_release_date 2019-05-17 _Entry.Original_release_date 2019-05-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _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 'backbone chemical shifts and 15N relaxation data' _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 Bastian Kohl . . . . 27915 2 Vanessa Granitzka . . . . 27915 3 Amrinder Singh . . . . 27915 4 Pedro Quintas . . . . 27915 5 Elli Xiromeriti . . . . 27915 6 Fabian Mortel . . . . 27915 7 Elli Xiromeriti . . . . 27915 8 Peter Wright . . . . 27915 9 Jane Dyson . . . . 27915 10 Raphael Stoll . . . . 27915 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Ruhr University of Bochum' . 27915 2 . 'Scripps Research Institute' . 27915 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27915 heteronucl_NOEs 1 27915 heteronucl_T1_relaxation 1 27915 heteronucl_T2_relaxation 1 27915 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 221 27915 '15N chemical shifts' 110 27915 '1H chemical shifts' 110 27915 'T1 relaxation values' 90 27915 'T2 relaxation values' 90 27915 'heteronuclear NOE values' 86 27915 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 . . 2019-12-10 2019-05-16 update BMRB 'update entry citation' 27915 1 . . 2019-11-08 2019-05-16 original author 'original release' 27915 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27916 'p50 heterodimer' 27915 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27915 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 31587407 _Citation.Full_citation . _Citation.Title ; Comparison of backbone dynamics of the p50 dimerization domain of NFkB in the homodimeric transcription factor NFkB1 and in its heterodimeric complex with RelA (p65) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 28 _Citation.Journal_issue 12 _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 2064 _Citation.Page_last 2072 _Citation.Year 2019 _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 Bastian Kohl . . . . 27915 1 2 Vanessa Granitzka . . . . 27915 1 3 Amrinder Singh . . . . 27915 1 4 Pedro Quintas . . . . 27915 1 5 Elli Xiromeriti . . . . 27915 1 6 Fabian Mortel . . . . 27915 1 7 Gerard Kroon . . . . 27915 1 8 Peter Wright . . . . 27915 1 9 Jane Dyson . . . . 27915 1 10 Raphael Stoll . . . . 27915 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NFkappaB 27915 1 dynamics 27915 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27915 _Assembly.ID 1 _Assembly.Name 'p50 homodimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'homodimer of identical domains' _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 'p50 DD, 1' 1 $p50_homodimer A . yes native no no . . . 27915 1 2 'p50 DD, 2' 1 $p50_homodimer B . no native no no . . . 27915 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 1NFK . . X-ray . . 'dimerization domain is present in the X-ray structure with other components' 27915 1 yes PDB 1VKX . . X-ray . . 'dimerization domain is present in the X-ray structure with other components' 27915 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'dimerization domain of transcription factor' 27915 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_p50_homodimer _Entity.Sf_category entity _Entity.Sf_framecode p50_homodimer _Entity.Entry_ID 27915 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name p50_homodimer _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(D) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; VGTGSNDDDDKAPNASNLKI VRMDRTAGCVTGGEEIYLLC DKVQKDDIQIRFYEEEENGG VWEGFGDFSPTDVHRQFAIV FKTPKYKDVNITKPASVFVQ LRRKSDLETSEPKPFLYYPE I ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 233 234 235 ..... 351 352 353 ; _Entity.Polymer_author_seq_details 'residues 233-353 of mouse p50' _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 121 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'dimerization domain of NFkappaB p50' _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'transcription factor' 27915 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 233 VAL . 27915 1 2 234 GLY . 27915 1 3 235 THR . 27915 1 4 236 GLY . 27915 1 5 237 SER . 27915 1 6 238 ASN . 27915 1 7 239 ASP . 27915 1 8 240 ASP . 27915 1 9 241 ASP . 27915 1 10 242 ASP . 27915 1 11 243 LYS . 27915 1 12 244 ALA . 27915 1 13 245 PRO . 27915 1 14 246 ASN . 27915 1 15 247 ALA . 27915 1 16 248 SER . 27915 1 17 249 ASN . 27915 1 18 250 LEU . 27915 1 19 251 LYS . 27915 1 20 252 ILE . 27915 1 21 253 VAL . 27915 1 22 254 ARG . 27915 1 23 255 MET . 27915 1 24 256 ASP . 27915 1 25 257 ARG . 27915 1 26 258 THR . 27915 1 27 259 ALA . 27915 1 28 260 GLY . 27915 1 29 261 CYS . 27915 1 30 262 VAL . 27915 1 31 263 THR . 27915 1 32 264 GLY . 27915 1 33 265 GLY . 27915 1 34 266 GLU . 27915 1 35 267 GLU . 27915 1 36 268 ILE . 27915 1 37 269 TYR . 27915 1 38 270 LEU . 27915 1 39 271 LEU . 27915 1 40 272 CYS . 27915 1 41 273 ASP . 27915 1 42 274 LYS . 27915 1 43 275 VAL . 27915 1 44 276 GLN . 27915 1 45 277 LYS . 27915 1 46 278 ASP . 27915 1 47 279 ASP . 27915 1 48 280 ILE . 27915 1 49 281 GLN . 27915 1 50 282 ILE . 27915 1 51 283 ARG . 27915 1 52 284 PHE . 27915 1 53 285 TYR . 27915 1 54 286 GLU . 27915 1 55 287 GLU . 27915 1 56 288 GLU . 27915 1 57 289 GLU . 27915 1 58 290 ASN . 27915 1 59 291 GLY . 27915 1 60 292 GLY . 27915 1 61 293 VAL . 27915 1 62 294 TRP . 27915 1 63 295 GLU . 27915 1 64 296 GLY . 27915 1 65 297 PHE . 27915 1 66 298 GLY . 27915 1 67 299 ASP . 27915 1 68 300 PHE . 27915 1 69 301 SER . 27915 1 70 302 PRO . 27915 1 71 303 THR . 27915 1 72 304 ASP . 27915 1 73 305 VAL . 27915 1 74 306 HIS . 27915 1 75 307 ARG . 27915 1 76 308 GLN . 27915 1 77 309 PHE . 27915 1 78 310 ALA . 27915 1 79 311 ILE . 27915 1 80 312 VAL . 27915 1 81 313 PHE . 27915 1 82 314 LYS . 27915 1 83 315 THR . 27915 1 84 316 PRO . 27915 1 85 317 LYS . 27915 1 86 318 TYR . 27915 1 87 319 LYS . 27915 1 88 320 ASP . 27915 1 89 321 VAL . 27915 1 90 322 ASN . 27915 1 91 323 ILE . 27915 1 92 324 THR . 27915 1 93 325 LYS . 27915 1 94 326 PRO . 27915 1 95 327 ALA . 27915 1 96 328 SER . 27915 1 97 329 VAL . 27915 1 98 330 PHE . 27915 1 99 331 VAL . 27915 1 100 332 GLN . 27915 1 101 333 LEU . 27915 1 102 334 ARG . 27915 1 103 335 ARG . 27915 1 104 336 LYS . 27915 1 105 337 SER . 27915 1 106 338 ASP . 27915 1 107 339 LEU . 27915 1 108 340 GLU . 27915 1 109 341 THR . 27915 1 110 342 SER . 27915 1 111 343 GLU . 27915 1 112 344 PRO . 27915 1 113 345 LYS . 27915 1 114 346 PRO . 27915 1 115 347 PHE . 27915 1 116 348 LEU . 27915 1 117 349 TYR . 27915 1 118 350 TYR . 27915 1 119 351 PRO . 27915 1 120 352 GLU . 27915 1 121 353 ILE . 27915 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 . VAL 1 1 27915 1 . GLY 2 2 27915 1 . THR 3 3 27915 1 . GLY 4 4 27915 1 . SER 5 5 27915 1 . ASN 6 6 27915 1 . ASP 7 7 27915 1 . ASP 8 8 27915 1 . ASP 9 9 27915 1 . ASP 10 10 27915 1 . LYS 11 11 27915 1 . ALA 12 12 27915 1 . PRO 13 13 27915 1 . ASN 14 14 27915 1 . ALA 15 15 27915 1 . SER 16 16 27915 1 . ASN 17 17 27915 1 . LEU 18 18 27915 1 . LYS 19 19 27915 1 . ILE 20 20 27915 1 . VAL 21 21 27915 1 . ARG 22 22 27915 1 . MET 23 23 27915 1 . ASP 24 24 27915 1 . ARG 25 25 27915 1 . THR 26 26 27915 1 . ALA 27 27 27915 1 . GLY 28 28 27915 1 . CYS 29 29 27915 1 . VAL 30 30 27915 1 . THR 31 31 27915 1 . GLY 32 32 27915 1 . GLY 33 33 27915 1 . GLU 34 34 27915 1 . GLU 35 35 27915 1 . ILE 36 36 27915 1 . TYR 37 37 27915 1 . LEU 38 38 27915 1 . LEU 39 39 27915 1 . CYS 40 40 27915 1 . ASP 41 41 27915 1 . LYS 42 42 27915 1 . VAL 43 43 27915 1 . GLN 44 44 27915 1 . LYS 45 45 27915 1 . ASP 46 46 27915 1 . ASP 47 47 27915 1 . ILE 48 48 27915 1 . GLN 49 49 27915 1 . ILE 50 50 27915 1 . ARG 51 51 27915 1 . PHE 52 52 27915 1 . TYR 53 53 27915 1 . GLU 54 54 27915 1 . GLU 55 55 27915 1 . GLU 56 56 27915 1 . GLU 57 57 27915 1 . ASN 58 58 27915 1 . GLY 59 59 27915 1 . GLY 60 60 27915 1 . VAL 61 61 27915 1 . TRP 62 62 27915 1 . GLU 63 63 27915 1 . GLY 64 64 27915 1 . PHE 65 65 27915 1 . GLY 66 66 27915 1 . ASP 67 67 27915 1 . PHE 68 68 27915 1 . SER 69 69 27915 1 . PRO 70 70 27915 1 . THR 71 71 27915 1 . ASP 72 72 27915 1 . VAL 73 73 27915 1 . HIS 74 74 27915 1 . ARG 75 75 27915 1 . GLN 76 76 27915 1 . PHE 77 77 27915 1 . ALA 78 78 27915 1 . ILE 79 79 27915 1 . VAL 80 80 27915 1 . PHE 81 81 27915 1 . LYS 82 82 27915 1 . THR 83 83 27915 1 . PRO 84 84 27915 1 . LYS 85 85 27915 1 . TYR 86 86 27915 1 . LYS 87 87 27915 1 . ASP 88 88 27915 1 . VAL 89 89 27915 1 . ASN 90 90 27915 1 . ILE 91 91 27915 1 . THR 92 92 27915 1 . LYS 93 93 27915 1 . PRO 94 94 27915 1 . ALA 95 95 27915 1 . SER 96 96 27915 1 . VAL 97 97 27915 1 . PHE 98 98 27915 1 . VAL 99 99 27915 1 . GLN 100 100 27915 1 . LEU 101 101 27915 1 . ARG 102 102 27915 1 . ARG 103 103 27915 1 . LYS 104 104 27915 1 . SER 105 105 27915 1 . ASP 106 106 27915 1 . LEU 107 107 27915 1 . GLU 108 108 27915 1 . THR 109 109 27915 1 . SER 110 110 27915 1 . GLU 111 111 27915 1 . PRO 112 112 27915 1 . LYS 113 113 27915 1 . PRO 114 114 27915 1 . PHE 115 115 27915 1 . LEU 116 116 27915 1 . TYR 117 117 27915 1 . TYR 118 118 27915 1 . PRO 119 119 27915 1 . GLU 120 120 27915 1 . ILE 121 121 27915 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27915 _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 $p50_homodimer . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 27915 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27915 _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 $p50_homodimer . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-45b(+) . . . 27915 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27915 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'p50 homodimer' '[U-13C; U-15N; U-2H]' . . 1 $p50_homodimer . . 1.5 . . mM . . . . 27915 1 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 27915 1 3 DTT 'natural abundance' . . . . . . 150 . . mM . . . . 27915 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 27915 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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 . M 27915 1 pH 6.8 . pH 27915 1 pressure 1 . atm 27915 1 temperature 298 . K 27915 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 27915 _Software.ID 1 _Software.Type . _Software.Name NMRView _Software.Version J _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 27915 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27915 1 stop_ save_ save_CCPNMR _Software.Sf_category software _Software.Sf_framecode CCPNMR _Software.Entry_ID 27915 _Software.ID 2 _Software.Type . _Software.Name CCPNMR _Software.Version 2.7 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27915 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27915 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27915 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27915 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 27915 3 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27915 _Software.ID 4 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27915 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 27915 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27915 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27915 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 27915 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27915 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 27915 1 2 spectrometer_2 Bruker Avance . 700 . . . 27915 1 3 spectrometer_3 Bruker Avance . 800 . . . 27915 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27915 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27915 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27915 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 27915 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 27915 1 5 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 27915 1 6 'T1, T2, NOE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27915 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27915 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27915 1 9 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27915 1 stop_ save_ save_3D_HN(COCA)CB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HN(COCA)CB _NMR_spec_expt.Entry_ID 27915 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D HN(COCA)CB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'TROSY-based deuterium-decoupled, NUS in 13C dimension' save_ save_3D_HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HNCACB _NMR_spec_expt.Entry_ID 27915 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'TROSY-based deuterium-decoupled, NUS in 13C dimension' save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27915 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 na indirect 0.2514495 . . . . . 27915 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1 . . . . . 27915 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 na indirect 0.1013291 . . . . . 27915 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27915 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _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' . . . 27915 1 4 '3D HNCACB' . . . 27915 1 5 '3D HN(COCA)CB' . . . 27915 1 7 '3D HN(CO)CA' . . . 27915 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 $NMRView . . 27915 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 VAL H H 1 8.1166 0.01 . 1 . . . . . 233 V HN . 27915 1 2 . 1 1 1 1 VAL CA C 13 62.1780 0.05 . 1 . . . . . 233 V CA . 27915 1 3 . 1 1 1 1 VAL CB C 13 32.1067 0.05 . 1 . . . . . 233 V CB . 27915 1 4 . 1 1 1 1 VAL N N 15 122.0297 0.05 . 1 . . . . . 233 V N . 27915 1 5 . 1 1 2 2 GLY H H 1 8.4465 0.01 . 1 . . . . . 234 G HN . 27915 1 6 . 1 1 2 2 GLY CA C 13 44.8912 0.05 . 1 . . . . . 234 G CA . 27915 1 7 . 1 1 2 2 GLY N N 15 112.3301 0.05 . 1 . . . . . 234 G N . 27915 1 8 . 1 1 3 3 THR H H 1 8.1765 0.01 . 1 . . . . . 235 T HN . 27915 1 9 . 1 1 3 3 THR CA C 13 61.8314 0.05 . 1 . . . . . 235 T CA . 27915 1 10 . 1 1 3 3 THR CB C 13 69.6364 0.05 . 1 . . . . . 235 T CB . 27915 1 11 . 1 1 3 3 THR N N 15 113.0498 0.05 . 1 . . . . . 235 T N . 27915 1 12 . 1 1 4 4 GLY H H 1 8.5199 0.01 . 1 . . . . . 236 G HN . 27915 1 13 . 1 1 4 4 GLY CA C 13 45.0593 0.05 . 1 . . . . . 236 G CA . 27915 1 14 . 1 1 4 4 GLY N N 15 111.3712 0.05 . 1 . . . . . 236 G N . 27915 1 15 . 1 1 5 5 SER H H 1 8.2198 0.01 . 1 . . . . . 237 S HN . 27915 1 16 . 1 1 5 5 SER CA C 13 58.0669 0.05 . 1 . . . . . 237 S CA . 27915 1 17 . 1 1 5 5 SER CB C 13 63.6486 0.05 . 1 . . . . . 237 S CB . 27915 1 18 . 1 1 5 5 SER N N 15 115.5109 0.05 . 1 . . . . . 237 S N . 27915 1 19 . 1 1 6 6 ASN H H 1 8.5603 0.01 . 1 . . . . . 238 N HN . 27915 1 20 . 1 1 6 6 ASN CA C 13 53.2424 0.05 . 1 . . . . . 238 N CA . 27915 1 21 . 1 1 6 6 ASN CB C 13 38.6849 0.05 . 1 . . . . . 238 N CB . 27915 1 22 . 1 1 6 6 ASN N N 15 120.5869 0.05 . 1 . . . . . 238 N N . 27915 1 23 . 1 1 7 7 ASP H H 1 8.3042 0.01 . 1 . . . . . 239 D HN . 27915 1 24 . 1 1 7 7 ASP CA C 13 54.6000 0.05 . 1 . . . . . 239 D CA . 27915 1 25 . 1 1 7 7 ASP CB C 13 40.7933 0.05 . 1 . . . . . 239 D CB . 27915 1 26 . 1 1 7 7 ASP N N 15 120.5313 0.05 . 1 . . . . . 239 D N . 27915 1 27 . 1 1 8 8 ASP H H 1 8.1898 0.01 . 1 . . . . . 240 D HN . 27915 1 28 . 1 1 8 8 ASP CA C 13 55.3844 0.05 . 1 . . . . . 240 D CA . 27915 1 29 . 1 1 8 8 ASP N N 15 120.3308 0.05 . 1 . . . . . 240 D N . 27915 1 30 . 1 1 9 9 ASP H H 1 8.2209 0.01 . 1 . . . . . 241 D HN . 27915 1 31 . 1 1 9 9 ASP CA C 13 54.5698 0.05 . 1 . . . . . 241 D CA . 27915 1 32 . 1 1 9 9 ASP CB C 13 40.7090 0.05 . 1 . . . . . 241 D CB . 27915 1 33 . 1 1 9 9 ASP N N 15 119.8878 0.05 . 1 . . . . . 241 D N . 27915 1 34 . 1 1 10 10 ASP H H 1 8.2520 0.01 . 1 . . . . . 242 D HN . 27915 1 35 . 1 1 10 10 ASP CA C 13 54.5397 0.05 . 1 . . . . . 242 D CA . 27915 1 36 . 1 1 10 10 ASP CB C 13 40.6247 0.05 . 1 . . . . . 242 D CB . 27915 1 37 . 1 1 10 10 ASP N N 15 120.3454 0.05 . 1 . . . . . 242 D N . 27915 1 38 . 1 1 11 11 LYS H H 1 8.0152 0.01 . 1 . . . . . 243 K HN . 27915 1 39 . 1 1 11 11 LYS CA C 13 55.7163 0.05 . 1 . . . . . 243 K CA . 27915 1 40 . 1 1 11 11 LYS CB C 13 32.1910 0.05 . 1 . . . . . 243 K CB . 27915 1 41 . 1 1 11 11 LYS N N 15 120.4306 0.05 . 1 . . . . . 243 K N . 27915 1 42 . 1 1 12 12 ALA H H 1 8.1522 0.01 . 1 . . . . . 244 A HN . 27915 1 43 . 1 1 12 12 ALA CA C 13 50.5268 0.05 . 1 . . . . . 244 A CA . 27915 1 44 . 1 1 12 12 ALA CB C 13 17.6851 0.05 . 1 . . . . . 244 A CB . 27915 1 45 . 1 1 12 12 ALA N N 15 125.6598 0.05 . 1 . . . . . 244 A N . 27915 1 46 . 1 1 13 13 PRO CA C 13 63.2887 0.05 . 1 . . . . . 245 P CA . 27915 1 47 . 1 1 13 13 PRO CB C 13 31.3476 0.05 . 1 . . . . . 245 P CB . 27915 1 48 . 1 1 14 14 ASN H H 1 8.3763 0.01 . 1 . . . . . 246 N HN . 27915 1 49 . 1 1 14 14 ASN CA C 13 53.0915 0.05 . 1 . . . . . 246 N CA . 27915 1 50 . 1 1 14 14 ASN CB C 13 38.4319 0.05 . 1 . . . . . 246 N CB . 27915 1 51 . 1 1 14 14 ASN N N 15 117.6714 0.05 . 1 . . . . . 246 N N . 27915 1 52 . 1 1 15 15 ALA H H 1 8.1772 0.01 . 1 . . . . . 247 A HN . 27915 1 53 . 1 1 15 15 ALA CA C 13 52.2808 0.05 . 1 . . . . . 247 A CA . 27915 1 54 . 1 1 15 15 ALA CB C 13 18.6792 0.05 . 1 . . . . . 247 A CB . 27915 1 55 . 1 1 15 15 ALA N N 15 124.2651 0.05 . 1 . . . . . 247 A N . 27915 1 56 . 1 1 16 16 SER H H 1 8.2800 0.01 . 1 . . . . . 248 S HN . 27915 1 57 . 1 1 16 16 SER CA C 13 58.2014 0.05 . 1 . . . . . 248 S CA . 27915 1 58 . 1 1 16 16 SER CB C 13 63.5642 0.05 . 1 . . . . . 248 S CB . 27915 1 59 . 1 1 16 16 SER N N 15 115.0106 0.05 . 1 . . . . . 248 S N . 27915 1 60 . 1 1 17 17 ASN H H 1 8.4033 0.01 . 1 . . . . . 249 N HN . 27915 1 61 . 1 1 17 17 ASN CA C 13 53.1820 0.05 . 1 . . . . . 249 N CA . 27915 1 62 . 1 1 17 17 ASN CB C 13 38.7693 0.05 . 1 . . . . . 249 N CB . 27915 1 63 . 1 1 17 17 ASN N N 15 120.2822 0.05 . 1 . . . . . 249 N N . 27915 1 64 . 1 1 18 18 LEU H H 1 8.3867 0.01 . 1 . . . . . 250 L HN . 27915 1 65 . 1 1 18 18 LEU CA C 13 53.8229 0.05 . 1 . . . . . 250 L CA . 27915 1 66 . 1 1 18 18 LEU CB C 13 43.1548 0.05 . 1 . . . . . 250 L CB . 27915 1 67 . 1 1 18 18 LEU N N 15 122.0932 0.05 . 1 . . . . . 250 L N . 27915 1 68 . 1 1 19 19 LYS H H 1 8.6980 0.01 . 1 . . . . . 251 K HN . 27915 1 69 . 1 1 19 19 LYS CA C 13 56.8654 0.05 . 1 . . . . . 251 K CA . 27915 1 70 . 1 1 19 19 LYS CB C 13 36.2392 0.05 . 1 . . . . . 251 K CB . 27915 1 71 . 1 1 19 19 LYS N N 15 122.3981 0.05 . 1 . . . . . 251 K N . 27915 1 72 . 1 1 20 20 ILE H H 1 9.0458 0.01 . 1 . . . . . 252 I HN . 27915 1 73 . 1 1 20 20 ILE CA C 13 62.1839 0.05 . 1 . . . . . 252 I CA . 27915 1 74 . 1 1 20 20 ILE CB C 13 37.2512 0.05 . 1 . . . . . 252 I CB . 27915 1 75 . 1 1 20 20 ILE N N 15 125.8591 0.05 . 1 . . . . . 252 I N . 27915 1 76 . 1 1 21 21 VAL H H 1 9.0458 0.01 . 1 . . . . . 253 V HN . 27915 1 77 . 1 1 21 21 VAL CA C 13 65.2901 0.05 . 1 . . . . . 253 V CA . 27915 1 78 . 1 1 21 21 VAL CB C 13 31.8537 0.05 . 1 . . . . . 253 V CB . 27915 1 79 . 1 1 21 21 VAL N N 15 129.2131 0.05 . 1 . . . . . 253 V N . 27915 1 80 . 1 1 22 22 ARG H H 1 7.6475 0.01 . 1 . . . . . 254 R HN . 27915 1 81 . 1 1 22 22 ARG CA C 13 55.6133 0.05 . 1 . . . . . 254 R CA . 27915 1 82 . 1 1 22 22 ARG CB C 13 33.7091 0.05 . 1 . . . . . 254 R CB . 27915 1 83 . 1 1 22 22 ARG N N 15 114.0544 0.05 . 1 . . . . . 254 R N . 27915 1 84 . 1 1 23 23 MET H H 1 8.5493 0.01 . 1 . . . . . 255 M HN . 27915 1 85 . 1 1 23 23 MET CA C 13 54.8413 0.05 . 1 . . . . . 255 M CA . 27915 1 86 . 1 1 23 23 MET CB C 13 37.3355 0.05 . 1 . . . . . 255 M CB . 27915 1 87 . 1 1 23 23 MET N N 15 119.5131 0.05 . 1 . . . . . 255 M N . 27915 1 88 . 1 1 24 24 ASP H H 1 8.2725 0.01 . 1 . . . . . 256 D HN . 27915 1 89 . 1 1 24 24 ASP CA C 13 55.0525 0.05 . 1 . . . . . 256 D CA . 27915 1 90 . 1 1 24 24 ASP CB C 13 37.2530 0.05 . 1 . . . . . 256 D CB . 27915 1 91 . 1 1 24 24 ASP N N 15 119.2371 0.05 . 1 . . . . . 256 D N . 27915 1 92 . 1 1 25 25 ARG H H 1 7.1346 0.01 . 1 . . . . . 257 R HN . 27915 1 93 . 1 1 25 25 ARG CA C 13 55.2637 0.05 . 1 . . . . . 257 R CA . 27915 1 94 . 1 1 25 25 ARG CB C 13 33.1187 0.05 . 1 . . . . . 257 R CB . 27915 1 95 . 1 1 25 25 ARG N N 15 119.1690 0.05 . 1 . . . . . 257 R N . 27915 1 96 . 1 1 26 26 THR H H 1 8.3996 0.01 . 1 . . . . . 258 T HN . 27915 1 97 . 1 1 26 26 THR CA C 13 60.0164 0.05 . 1 . . . . . 258 T CA . 27915 1 98 . 1 1 26 26 THR CB C 13 68.2871 0.05 . 1 . . . . . 258 T CB . 27915 1 99 . 1 1 26 26 THR N N 15 109.1145 0.05 . 1 . . . . . 258 T N . 27915 1 100 . 1 1 27 27 ALA H H 1 7.2172 0.01 . 1 . . . . . 259 A HN . 27915 1 101 . 1 1 27 27 ALA CA C 13 49.5401 0.05 . 1 . . . . . 259 A CA . 27915 1 102 . 1 1 27 27 ALA CB C 13 22.8297 0.05 . 1 . . . . . 259 A CB . 27915 1 103 . 1 1 27 27 ALA N N 15 123.6697 0.05 . 1 . . . . . 259 A N . 27915 1 104 . 1 1 28 28 GLY H H 1 8.3656 0.01 . 1 . . . . . 260 G HN . 27915 1 105 . 1 1 28 28 GLY CA C 13 44.4542 0.05 . 1 . . . . . 260 G CA . 27915 1 106 . 1 1 28 28 GLY N N 15 107.6328 0.05 . 1 . . . . . 260 G N . 27915 1 107 . 1 1 29 29 CYS H H 1 8.9963 0.01 . 1 . . . . . 261 C HN . 27915 1 108 . 1 1 29 29 CYS CA C 13 58.7332 0.05 . 1 . . . . . 261 C CA . 27915 1 109 . 1 1 29 29 CYS CB C 13 27.2152 0.05 . 1 . . . . . 261 C CB . 27915 1 110 . 1 1 29 29 CYS N N 15 120.0728 0.05 . 1 . . . . . 261 C N . 27915 1 111 . 1 1 30 30 VAL H H 1 8.3762 0.01 . 1 . . . . . 262 V HN . 27915 1 112 . 1 1 30 30 VAL CA C 13 64.6323 0.05 . 1 . . . . . 262 V CA . 27915 1 113 . 1 1 30 30 VAL CB C 13 32.2753 0.05 . 1 . . . . . 262 V CB . 27915 1 114 . 1 1 30 30 VAL N N 15 122.7919 0.05 . 1 . . . . . 262 V N . 27915 1 115 . 1 1 31 31 THR H H 1 7.3363 0.01 . 1 . . . . . 263 T HN . 27915 1 116 . 1 1 31 31 THR CA C 13 63.8145 0.05 . 1 . . . . . 263 T CA . 27915 1 117 . 1 1 31 31 THR CB C 13 68.4557 0.05 . 1 . . . . . 263 T CB . 27915 1 118 . 1 1 31 31 THR N N 15 109.5341 0.05 . 1 . . . . . 263 T N . 27915 1 119 . 1 1 32 32 GLY H H 1 7.6698 0.01 . 1 . . . . . 264 G HN . 27915 1 120 . 1 1 32 32 GLY CA C 13 44.1517 0.05 . 1 . . . . . 264 G CA . 27915 1 121 . 1 1 32 32 GLY N N 15 105.9733 0.05 . 1 . . . . . 264 G N . 27915 1 122 . 1 1 33 33 GLY H H 1 9.0243 0.01 . 1 . . . . . 265 G HN . 27915 1 123 . 1 1 33 33 GLY CA C 13 45.7651 0.05 . 1 . . . . . 265 G CA . 27915 1 124 . 1 1 33 33 GLY N N 15 106.8623 0.05 . 1 . . . . . 265 G N . 27915 1 125 . 1 1 34 34 GLU H H 1 7.8071 0.01 . 1 . . . . . 266 E HN . 27915 1 126 . 1 1 34 34 GLU CA C 13 55.2939 0.05 . 1 . . . . . 266 E CA . 27915 1 127 . 1 1 34 34 GLU CB C 13 30.7573 0.05 . 1 . . . . . 266 E CB . 27915 1 128 . 1 1 34 34 GLU N N 15 119.1861 0.05 . 1 . . . . . 266 E N . 27915 1 129 . 1 1 35 35 GLU H H 1 8.6170 0.01 . 1 . . . . . 267 E HN . 27915 1 130 . 1 1 35 35 GLU CA C 13 56.7000 0.05 . 1 . . . . . 267 E CA . 27915 1 131 . 1 1 35 35 GLU CB C 13 31.0946 0.05 . 1 . . . . . 267 E CB . 27915 1 132 . 1 1 35 35 GLU N N 15 123.0114 0.05 . 1 . . . . . 267 E N . 27915 1 133 . 1 1 36 36 ILE H H 1 9.1614 0.01 . 1 . . . . . 268 I HN . 27915 1 134 . 1 1 36 36 ILE CA C 13 60.0645 0.05 . 1 . . . . . 268 I CA . 27915 1 135 . 1 1 36 36 ILE CB C 13 39.1909 0.05 . 1 . . . . . 268 I CB . 27915 1 136 . 1 1 36 36 ILE N N 15 128.2169 0.05 . 1 . . . . . 268 I N . 27915 1 137 . 1 1 37 37 TYR H H 1 8.6521 0.01 . 1 . . . . . 269 Y HN . 27915 1 138 . 1 1 37 37 TYR CA C 13 56.1909 0.05 . 1 . . . . . 269 Y CA . 27915 1 139 . 1 1 37 37 TYR CB C 13 38.4319 0.05 . 1 . . . . . 269 Y CB . 27915 1 140 . 1 1 37 37 TYR N N 15 125.2945 0.05 . 1 . . . . . 269 Y N . 27915 1 141 . 1 1 38 38 LEU H H 1 8.9677 0.01 . 1 . . . . . 270 L HN . 27915 1 142 . 1 1 38 38 LEU CA C 13 53.9618 0.05 . 1 . . . . . 270 L CA . 27915 1 143 . 1 1 38 38 LEU CB C 13 45.2632 0.05 . 1 . . . . . 270 L CB . 27915 1 144 . 1 1 38 38 LEU N N 15 124.7964 0.05 . 1 . . . . . 270 L N . 27915 1 145 . 1 1 39 39 LEU H H 1 9.3269 0.01 . 1 . . . . . 271 L HN . 27915 1 146 . 1 1 39 39 LEU CA C 13 53.7791 0.05 . 1 . . . . . 271 L CA . 27915 1 147 . 1 1 39 39 LEU CB C 13 38.7693 0.05 . 1 . . . . . 271 L CB . 27915 1 148 . 1 1 39 39 LEU N N 15 124.7964 0.05 . 1 . . . . . 271 L N . 27915 1 149 . 1 1 40 40 CYS H H 1 8.8198 0.01 . 1 . . . . . 272 C HN . 27915 1 150 . 1 1 40 40 CYS CA C 13 54.5008 0.05 . 1 . . . . . 272 C CA . 27915 1 151 . 1 1 40 40 CYS CB C 13 34.2151 0.05 . 1 . . . . . 272 C CB . 27915 1 152 . 1 1 40 40 CYS N N 15 122.2058 0.05 . 1 . . . . . 272 C N . 27915 1 153 . 1 1 41 41 ASP H H 1 7.3478 0.01 . 1 . . . . . 273 D HN . 27915 1 154 . 1 1 41 41 ASP CA C 13 54.8715 0.05 . 1 . . . . . 273 D CA . 27915 1 155 . 1 1 41 41 ASP CB C 13 41.2150 0.05 . 1 . . . . . 273 D CB . 27915 1 156 . 1 1 41 41 ASP N N 15 118.0637 0.05 . 1 . . . . . 273 D N . 27915 1 157 . 1 1 42 42 LYS H H 1 8.1984 0.01 . 1 . . . . . 274 K HN . 27915 1 158 . 1 1 42 42 LYS CA C 13 58.4315 0.05 . 1 . . . . . 274 K CA . 27915 1 159 . 1 1 42 42 LYS CB C 13 32.1910 0.05 . 1 . . . . . 274 K CB . 27915 1 160 . 1 1 42 42 LYS N N 15 118.2737 0.05 . 1 . . . . . 274 K N . 27915 1 161 . 1 1 43 43 VAL H H 1 8.5003 0.01 . 1 . . . . . 275 V HN . 27915 1 162 . 1 1 43 43 VAL CA C 13 58.7030 0.05 . 1 . . . . . 275 V CA . 27915 1 163 . 1 1 43 43 VAL CB C 13 35.2271 0.05 . 1 . . . . . 275 V CB . 27915 1 164 . 1 1 43 43 VAL N N 15 119.8440 0.05 . 1 . . . . . 275 V N . 27915 1 165 . 1 1 44 44 GLN H H 1 8.5857 0.01 . 1 . . . . . 276 Q HN . 27915 1 166 . 1 1 44 44 GLN CA C 13 54.1776 0.05 . 1 . . . . . 276 Q CA . 27915 1 167 . 1 1 44 44 GLN CB C 13 29.0706 0.05 . 1 . . . . . 276 Q CB . 27915 1 168 . 1 1 44 44 GLN N N 15 119.5122 0.05 . 1 . . . . . 276 Q N . 27915 1 169 . 1 1 45 45 LYS H H 1 8.7980 0.01 . 1 . . . . . 277 K HN . 27915 1 170 . 1 1 45 45 LYS CA C 13 59.6250 0.05 . 1 . . . . . 277 K CA . 27915 1 171 . 1 1 45 45 LYS CB C 13 31.2633 0.05 . 1 . . . . . 277 K CB . 27915 1 172 . 1 1 45 45 LYS N N 15 123.3446 0.05 . 1 . . . . . 277 K N . 27915 1 173 . 1 1 46 46 ASP H H 1 8.2199 0.01 . 1 . . . . . 278 D HN . 27915 1 174 . 1 1 46 46 ASP CA C 13 53.6638 0.05 . 1 . . . . . 278 D CA . 27915 1 175 . 1 1 46 46 ASP CB C 13 40.2873 0.05 . 1 . . . . . 278 D CB . 27915 1 176 . 1 1 46 46 ASP N N 15 116.2227 0.05 . 1 . . . . . 278 D N . 27915 1 177 . 1 1 47 47 ASP H H 1 8.0698 0.01 . 1 . . . . . 279 D HN . 27915 1 178 . 1 1 47 47 ASP CA C 13 52.5183 0.05 . 1 . . . . . 279 D CA . 27915 1 179 . 1 1 47 47 ASP CB C 13 41.5909 0.05 . 1 . . . . . 279 D CB . 27915 1 180 . 1 1 47 47 ASP N N 15 120.4587 0.05 . 1 . . . . . 279 D N . 27915 1 181 . 1 1 48 48 ILE H H 1 7.8036 0.01 . 1 . . . . . 280 I HN . 27915 1 182 . 1 1 48 48 ILE CA C 13 56.9241 0.05 . 1 . . . . . 280 I CA . 27915 1 183 . 1 1 48 48 ILE CB C 13 41.7210 0.05 . 1 . . . . . 280 I CB . 27915 1 184 . 1 1 48 48 ILE N N 15 117.3241 0.05 . 1 . . . . . 280 I N . 27915 1 185 . 1 1 49 49 GLN H H 1 8.9333 0.01 . 1 . . . . . 281 Q HN . 27915 1 186 . 1 1 49 49 GLN CA C 13 53.8156 0.05 . 1 . . . . . 281 Q CA . 27915 1 187 . 1 1 49 49 GLN CB C 13 32.7814 0.05 . 1 . . . . . 281 Q CB . 27915 1 188 . 1 1 49 49 GLN N N 15 124.1987 0.05 . 1 . . . . . 281 Q N . 27915 1 189 . 1 1 50 50 ILE H H 1 9.3904 0.01 . 1 . . . . . 282 I HN . 27915 1 190 . 1 1 50 50 ILE CA C 13 60.5858 0.05 . 1 . . . . . 282 I CA . 27915 1 191 . 1 1 50 50 ILE CB C 13 39.1066 0.05 . 1 . . . . . 282 I CB . 27915 1 192 . 1 1 50 50 ILE N N 15 122.0034 0.05 . 1 . . . . . 282 I N . 27915 1 193 . 1 1 51 51 ARG H H 1 8.9427 0.01 . 1 . . . . . 283 R HN . 27915 1 194 . 1 1 51 51 ARG CA C 13 54.8388 0.05 . 1 . . . . . 283 R CA . 27915 1 195 . 1 1 51 51 ARG CB C 13 32.7814 0.05 . 1 . . . . . 283 R CB . 27915 1 196 . 1 1 51 51 ARG N N 15 129.1799 0.05 . 1 . . . . . 283 R N . 27915 1 197 . 1 1 52 52 PHE H H 1 9.2488 0.01 . 1 . . . . . 284 F HN . 27915 1 198 . 1 1 52 52 PHE CA C 13 55.3870 0.05 . 1 . . . . . 284 F CA . 27915 1 199 . 1 1 52 52 PHE CB C 13 40.2873 0.05 . 1 . . . . . 284 F CB . 27915 1 200 . 1 1 52 52 PHE N N 15 129.2131 0.05 . 1 . . . . . 284 F N . 27915 1 201 . 1 1 53 53 TYR H H 1 9.6068 0.01 . 1 . . . . . 285 Y HN . 27915 1 202 . 1 1 53 53 TYR CA C 13 56.7225 0.05 . 1 . . . . . 285 Y CA . 27915 1 203 . 1 1 53 53 TYR CB C 13 40.2873 0.05 . 1 . . . . . 285 Y CB . 27915 1 204 . 1 1 53 53 TYR N N 15 116.6360 0.05 . 1 . . . . . 285 Y N . 27915 1 205 . 1 1 54 54 GLU H H 1 8.9558 0.01 . 1 . . . . . 286 E HN . 27915 1 206 . 1 1 54 54 GLU CA C 13 54.8413 0.05 . 1 . . . . . 286 E CA . 27915 1 207 . 1 1 54 54 GLU CB C 13 34.6368 0.05 . 1 . . . . . 286 E CB . 27915 1 208 . 1 1 54 54 GLU N N 15 118.8111 0.05 . 1 . . . . . 286 E N . 27915 1 209 . 1 1 55 55 GLU H H 1 9.4144 0.01 . 1 . . . . . 287 E HN . 27915 1 210 . 1 1 55 55 GLU CA C 13 56.5198 0.05 . 1 . . . . . 287 E CA . 27915 1 211 . 1 1 55 55 GLU CB C 13 29.5766 0.05 . 1 . . . . . 287 E CB . 27915 1 212 . 1 1 55 55 GLU N N 15 126.5233 0.05 . 1 . . . . . 287 E N . 27915 1 213 . 1 1 56 56 GLU H H 1 8.6115 0.01 . 1 . . . . . 288 E HN . 27915 1 214 . 1 1 56 56 GLU CA C 13 55.4966 0.05 . 1 . . . . . 288 E CA . 27915 1 215 . 1 1 56 56 GLU CB C 13 30.6730 0.05 . 1 . . . . . 288 E CB . 27915 1 216 . 1 1 56 56 GLU N N 15 123.9662 0.05 . 1 . . . . . 288 E N . 27915 1 217 . 1 1 57 57 GLU H H 1 8.8857 0.01 . 1 . . . . . 289 E HN . 27915 1 218 . 1 1 57 57 GLU CA C 13 58.4576 0.05 . 1 . . . . . 289 E CA . 27915 1 219 . 1 1 57 57 GLU CB C 13 29.0706 0.05 . 1 . . . . . 289 E CB . 27915 1 220 . 1 1 57 57 GLU N N 15 122.2116 0.05 . 1 . . . . . 289 E N . 27915 1 221 . 1 1 58 58 ASN H H 1 8.4382 0.01 . 1 . . . . . 290 N HN . 27915 1 222 . 1 1 58 58 ASN CA C 13 53.3613 0.05 . 1 . . . . . 290 N CA . 27915 1 223 . 1 1 58 58 ASN CB C 13 37.5042 0.05 . 1 . . . . . 290 N CB . 27915 1 224 . 1 1 58 58 ASN N N 15 115.6557 0.05 . 1 . . . . . 290 N N . 27915 1 225 . 1 1 59 59 GLY H H 1 8.0749 0.01 . 1 . . . . . 291 G HN . 27915 1 226 . 1 1 59 59 GLY CA C 13 45.1265 0.05 . 1 . . . . . 291 G CA . 27915 1 227 . 1 1 59 59 GLY N N 15 107.3365 0.05 . 1 . . . . . 291 G N . 27915 1 228 . 1 1 60 60 GLY H H 1 8.0038 0.01 . 1 . . . . . 292 G HN . 27915 1 229 . 1 1 60 60 GLY CA C 13 44.7568 0.05 . 1 . . . . . 292 G CA . 27915 1 230 . 1 1 60 60 GLY N N 15 109.0552 0.05 . 1 . . . . . 292 G N . 27915 1 231 . 1 1 61 61 VAL H H 1 8.2525 0.01 . 1 . . . . . 293 V HN . 27915 1 232 . 1 1 61 61 VAL CA C 13 61.1165 0.05 . 1 . . . . . 293 V CA . 27915 1 233 . 1 1 61 61 VAL CB C 13 34.7913 0.05 . 1 . . . . . 293 V CB . 27915 1 234 . 1 1 61 61 VAL N N 15 119.2292 0.05 . 1 . . . . . 293 V N . 27915 1 235 . 1 1 62 62 TRP H H 1 8.9145 0.01 . 1 . . . . . 294 W HN . 27915 1 236 . 1 1 62 62 TRP CA C 13 57.9450 0.05 . 1 . . . . . 294 W CA . 27915 1 237 . 1 1 62 62 TRP CB C 13 29.3236 0.05 . 1 . . . . . 294 W CB . 27915 1 238 . 1 1 62 62 TRP N N 15 128.3497 0.05 . 1 . . . . . 294 W N . 27915 1 239 . 1 1 63 63 GLU H H 1 6.9122 0.01 . 1 . . . . . 295 E HN . 27915 1 240 . 1 1 63 63 GLU CA C 13 53.0848 0.05 . 1 . . . . . 295 E CA . 27915 1 241 . 1 1 63 63 GLU CB C 13 32.6127 0.05 . 1 . . . . . 295 E CB . 27915 1 242 . 1 1 63 63 GLU N N 15 122.4757 0.05 . 1 . . . . . 295 E N . 27915 1 243 . 1 1 64 64 GLY H H 1 8.2172 0.01 . 1 . . . . . 296 G HN . 27915 1 244 . 1 1 64 64 GLY CA C 13 43.3451 0.05 . 1 . . . . . 296 G CA . 27915 1 245 . 1 1 64 64 GLY N N 15 107.8699 0.05 . 1 . . . . . 296 G N . 27915 1 246 . 1 1 65 65 PHE H H 1 8.7850 0.01 . 1 . . . . . 297 F HN . 27915 1 247 . 1 1 65 65 PHE CA C 13 56.7118 0.05 . 1 . . . . . 297 F CA . 27915 1 248 . 1 1 65 65 PHE CB C 13 40.8777 0.05 . 1 . . . . . 297 F CB . 27915 1 249 . 1 1 65 65 PHE N N 15 117.9029 0.05 . 1 . . . . . 297 F N . 27915 1 250 . 1 1 66 66 GLY H H 1 9.4294 0.01 . 1 . . . . . 298 G HN . 27915 1 251 . 1 1 66 66 GLY CA C 13 45.8323 0.05 . 1 . . . . . 298 G CA . 27915 1 252 . 1 1 66 66 GLY N N 15 106.7141 0.05 . 1 . . . . . 298 G N . 27915 1 253 . 1 1 67 67 ASP H H 1 9.3582 0.01 . 1 . . . . . 299 D HN . 27915 1 254 . 1 1 67 67 ASP CA C 13 54.1445 0.05 . 1 . . . . . 299 D CA . 27915 1 255 . 1 1 67 67 ASP CB C 13 42.8174 0.05 . 1 . . . . . 299 D CB . 27915 1 256 . 1 1 67 67 ASP N N 15 125.4938 0.05 . 1 . . . . . 299 D N . 27915 1 257 . 1 1 68 68 PHE H H 1 7.9209 0.01 . 1 . . . . . 300 F HN . 27915 1 258 . 1 1 68 68 PHE CA C 13 56.8497 0.05 . 1 . . . . . 300 F CA . 27915 1 259 . 1 1 68 68 PHE CB C 13 39.6126 0.05 . 1 . . . . . 300 F CB . 27915 1 260 . 1 1 68 68 PHE N N 15 121.5186 0.05 . 1 . . . . . 300 F N . 27915 1 261 . 1 1 69 69 SER H H 1 9.7957 0.01 . 1 . . . . . 301 S HN . 27915 1 262 . 1 1 69 69 SER CA C 13 55.9576 0.05 . 1 . . . . . 301 S CA . 27915 1 263 . 1 1 69 69 SER CB C 13 63.7329 0.05 . 1 . . . . . 301 S CB . 27915 1 264 . 1 1 69 69 SER N N 15 119.3180 0.05 . 1 . . . . . 301 S N . 27915 1 265 . 1 1 70 70 PRO CA C 13 66.3354 0.05 . 1 . . . . . 302 P CA . 27915 1 266 . 1 1 70 70 PRO CB C 13 31.1790 0.05 . 1 . . . . . 302 P CB . 27915 1 267 . 1 1 71 71 THR H H 1 7.3203 0.01 . 1 . . . . . 303 T HN . 27915 1 268 . 1 1 71 71 THR CA C 13 63.4112 0.05 . 1 . . . . . 303 T CA . 27915 1 269 . 1 1 71 71 THR CB C 13 68.2027 0.05 . 1 . . . . . 303 T CB . 27915 1 270 . 1 1 71 71 THR N N 15 104.4027 0.05 . 1 . . . . . 303 T N . 27915 1 271 . 1 1 72 72 ASP H H 1 8.4118 0.01 . 1 . . . . . 304 D HN . 27915 1 272 . 1 1 72 72 ASP CA C 13 55.9669 0.05 . 1 . . . . . 304 D CA . 27915 1 273 . 1 1 72 72 ASP CB C 13 42.1427 0.05 . 1 . . . . . 304 D CB . 27915 1 274 . 1 1 72 72 ASP N N 15 121.2807 0.05 . 1 . . . . . 304 D N . 27915 1 275 . 1 1 73 73 VAL H H 1 7.3222 0.01 . 1 . . . . . 305 V HN . 27915 1 276 . 1 1 73 73 VAL CA C 13 61.6893 0.05 . 1 . . . . . 305 V CA . 27915 1 277 . 1 1 73 73 VAL CB C 13 29.4922 0.05 . 1 . . . . . 305 V CB . 27915 1 278 . 1 1 73 73 VAL N N 15 121.4763 0.05 . 1 . . . . . 305 V N . 27915 1 279 . 1 1 74 74 HIS H H 1 8.9645 0.01 . 1 . . . . . 306 H HN . 27915 1 280 . 1 1 74 74 HIS CA C 13 55.5332 0.05 . 1 . . . . . 306 H CA . 27915 1 281 . 1 1 74 74 HIS CB C 13 32.2763 0.05 . 1 . . . . . 306 H CB . 27915 1 282 . 1 1 74 74 HIS N N 15 131.0728 0.05 . 1 . . . . . 306 H N . 27915 1 283 . 1 1 75 75 ARG H H 1 8.8336 0.01 . 1 . . . . . 307 R HN . 27915 1 284 . 1 1 75 75 ARG CA C 13 54.6878 0.05 . 1 . . . . . 307 R CA . 27915 1 285 . 1 1 75 75 ARG CB C 13 26.1188 0.05 . 1 . . . . . 307 R CB . 27915 1 286 . 1 1 75 75 ARG N N 15 122.9707 0.05 . 1 . . . . . 307 R N . 27915 1 287 . 1 1 76 76 GLN H H 1 7.3946 0.01 . 1 . . . . . 308 Q HN . 27915 1 288 . 1 1 76 76 GLN CA C 13 58.7392 0.05 . 1 . . . . . 308 Q CA . 27915 1 289 . 1 1 76 76 GLN CB C 13 28.7332 0.05 . 1 . . . . . 308 Q CB . 27915 1 290 . 1 1 76 76 GLN N N 15 104.6398 0.05 . 1 . . . . . 308 Q N . 27915 1 291 . 1 1 77 77 PHE H H 1 7.7338 0.01 . 1 . . . . . 309 F HN . 27915 1 292 . 1 1 77 77 PHE CA C 13 59.2769 0.05 . 1 . . . . . 309 F CA . 27915 1 293 . 1 1 77 77 PHE CB C 13 42.3114 0.05 . 1 . . . . . 309 F CB . 27915 1 294 . 1 1 77 77 PHE N N 15 114.7342 0.05 . 1 . . . . . 309 F N . 27915 1 295 . 1 1 78 78 ALA H H 1 7.6688 0.01 . 1 . . . . . 310 A HN . 27915 1 296 . 1 1 78 78 ALA CA C 13 51.3719 0.05 . 1 . . . . . 310 A CA . 27915 1 297 . 1 1 78 78 ALA CB C 13 22.9983 0.05 . 1 . . . . . 310 A CB . 27915 1 298 . 1 1 78 78 ALA N N 15 120.3357 0.05 . 1 . . . . . 310 A N . 27915 1 299 . 1 1 79 79 ILE H H 1 9.5497 0.01 . 1 . . . . . 311 I HN . 27915 1 300 . 1 1 79 79 ILE CA C 13 61.6294 0.05 . 1 . . . . . 311 I CA . 27915 1 301 . 1 1 79 79 ILE CB C 13 41.9741 0.05 . 1 . . . . . 311 I CB . 27915 1 302 . 1 1 79 79 ILE N N 15 119.7044 0.05 . 1 . . . . . 311 I N . 27915 1 303 . 1 1 80 80 VAL H H 1 7.2399 0.01 . 1 . . . . . 312 V HN . 27915 1 304 . 1 1 80 80 VAL CA C 13 61.0532 0.05 . 1 . . . . . 312 V CA . 27915 1 305 . 1 1 80 80 VAL CB C 13 31.7693 0.05 . 1 . . . . . 312 V CB . 27915 1 306 . 1 1 80 80 VAL N N 15 128.1505 0.05 . 1 . . . . . 312 V N . 27915 1 307 . 1 1 81 81 PHE H H 1 8.8056 0.01 . 1 . . . . . 313 F HN . 27915 1 308 . 1 1 81 81 PHE CA C 13 54.5481 0.05 . 1 . . . . . 313 F CA . 27915 1 309 . 1 1 81 81 PHE CB C 13 43.4921 0.05 . 1 . . . . . 313 F CB . 27915 1 310 . 1 1 81 81 PHE N N 15 121.8902 0.05 . 1 . . . . . 313 F N . 27915 1 311 . 1 1 82 82 LYS H H 1 9.0390 0.01 . 1 . . . . . 314 K HN . 27915 1 312 . 1 1 82 82 LYS CA C 13 53.5294 0.05 . 1 . . . . . 314 K CA . 27915 1 313 . 1 1 82 82 LYS CB C 13 35.2271 0.05 . 1 . . . . . 314 K CB . 27915 1 314 . 1 1 82 82 LYS N N 15 116.2879 0.05 . 1 . . . . . 314 K N . 27915 1 315 . 1 1 83 83 THR H H 1 9.0184 0.01 . 1 . . . . . 315 T HN . 27915 1 316 . 1 1 83 83 THR CA C 13 59.4114 0.05 . 1 . . . . . 315 T CA . 27915 1 317 . 1 1 83 83 THR CB C 13 67.8654 0.05 . 1 . . . . . 315 T CB . 27915 1 318 . 1 1 83 83 THR N N 15 113.3651 0.05 . 1 . . . . . 315 T N . 27915 1 319 . 1 1 85 85 LYS H H 1 8.4405 0.01 . 1 . . . . . 317 K HN . 27915 1 320 . 1 1 85 85 LYS CA C 13 56.5029 0.05 . 1 . . . . . 317 K CA . 27915 1 321 . 1 1 85 85 LYS CB C 13 32.3597 0.05 . 1 . . . . . 317 K CB . 27915 1 322 . 1 1 85 85 LYS N N 15 122.0720 0.05 . 1 . . . . . 317 K N . 27915 1 323 . 1 1 89 89 VAL H H 1 8.1030 0.01 . 1 . . . . . 321 V HN . 27915 1 324 . 1 1 89 89 VAL CA C 13 61.6970 0.05 . 1 . . . . . 321 V CA . 27915 1 325 . 1 1 89 89 VAL CB C 13 29.9983 0.05 . 1 . . . . . 321 V CB . 27915 1 326 . 1 1 89 89 VAL N N 15 115.1949 0.05 . 1 . . . . . 321 V N . 27915 1 327 . 1 1 90 90 ASN H H 1 8.6917 0.01 . 1 . . . . . 322 N HN . 27915 1 328 . 1 1 90 90 ASN CA C 13 52.9105 0.05 . 1 . . . . . 322 N CA . 27915 1 329 . 1 1 90 90 ASN CB C 13 38.4319 0.05 . 1 . . . . . 322 N CB . 27915 1 330 . 1 1 90 90 ASN N N 15 119.6067 0.05 . 1 . . . . . 322 N N . 27915 1 331 . 1 1 91 91 ILE H H 1 6.5059 0.01 . 1 . . . . . 323 I HN . 27915 1 332 . 1 1 91 91 ILE CA C 13 62.6045 0.05 . 1 . . . . . 323 I CA . 27915 1 333 . 1 1 91 91 ILE CB C 13 38.2632 0.05 . 1 . . . . . 323 I CB . 27915 1 334 . 1 1 91 91 ILE N N 15 112.2494 0.05 . 1 . . . . . 323 I N . 27915 1 335 . 1 1 92 92 THR H H 1 8.5388 0.01 . 1 . . . . . 324 T HN . 27915 1 336 . 1 1 92 92 THR CA C 13 62.5709 0.05 . 1 . . . . . 324 T CA . 27915 1 337 . 1 1 92 92 THR CB C 13 69.2991 0.05 . 1 . . . . . 324 T CB . 27915 1 338 . 1 1 92 92 THR N N 15 108.8774 0.05 . 1 . . . . . 324 T N . 27915 1 339 . 1 1 93 93 LYS H H 1 7.5786 0.01 . 1 . . . . . 325 K HN . 27915 1 340 . 1 1 93 93 LYS CA C 13 53.0820 0.05 . 1 . . . . . 325 K CA . 27915 1 341 . 1 1 93 93 LYS CB C 13 32.8657 0.05 . 1 . . . . . 325 K CB . 27915 1 342 . 1 1 93 93 LYS N N 15 121.9203 0.05 . 1 . . . . . 325 K N . 27915 1 343 . 1 1 94 94 PRO CA C 13 63.4995 0.05 . 1 . . . . . 326 P CA . 27915 1 344 . 1 1 94 94 PRO CB C 13 31.8537 0.05 . 1 . . . . . 326 P CB . 27915 1 345 . 1 1 95 95 ALA H H 1 8.8083 0.01 . 1 . . . . . 327 A HN . 27915 1 346 . 1 1 95 95 ALA CA C 13 50.4537 0.05 . 1 . . . . . 327 A CA . 27915 1 347 . 1 1 95 95 ALA CB C 13 20.6369 0.05 . 1 . . . . . 327 A CB . 27915 1 348 . 1 1 95 95 ALA N N 15 126.0915 0.05 . 1 . . . . . 327 A N . 27915 1 349 . 1 1 96 96 SER H H 1 8.4379 0.01 . 1 . . . . . 328 S HN . 27915 1 350 . 1 1 96 96 SER CA C 13 58.0694 0.05 . 1 . . . . . 328 S CA . 27915 1 351 . 1 1 96 96 SER CB C 13 63.1425 0.05 . 1 . . . . . 328 S CB . 27915 1 352 . 1 1 96 96 SER N N 15 118.5503 0.05 . 1 . . . . . 328 S N . 27915 1 353 . 1 1 97 97 VAL H H 1 9.0746 0.01 . 1 . . . . . 329 V HN . 27915 1 354 . 1 1 97 97 VAL CA C 13 58.4734 0.05 . 1 . . . . . 329 V CA . 27915 1 355 . 1 1 97 97 VAL CB C 13 33.1187 0.05 . 1 . . . . . 329 V CB . 27915 1 356 . 1 1 97 97 VAL N N 15 121.0798 0.05 . 1 . . . . . 329 V N . 27915 1 357 . 1 1 98 98 PHE H H 1 8.7671 0.01 . 1 . . . . . 330 F HN . 27915 1 358 . 1 1 98 98 PHE CA C 13 56.3800 0.05 . 1 . . . . . 330 F CA . 27915 1 359 . 1 1 98 98 PHE CB C 13 43.0704 0.05 . 1 . . . . . 330 F CB . 27915 1 360 . 1 1 98 98 PHE N N 15 118.6688 0.05 . 1 . . . . . 330 F N . 27915 1 361 . 1 1 99 99 VAL H H 1 9.1658 0.01 . 1 . . . . . 331 V HN . 27915 1 362 . 1 1 99 99 VAL CA C 13 58.7392 0.05 . 1 . . . . . 331 V CA . 27915 1 363 . 1 1 99 99 VAL CB C 13 33.7934 0.05 . 1 . . . . . 331 V CB . 27915 1 364 . 1 1 99 99 VAL N N 15 117.4914 0.05 . 1 . . . . . 331 V N . 27915 1 365 . 1 1 100 100 GLN H H 1 8.9645 0.01 . 1 . . . . . 332 Q HN . 27915 1 366 . 1 1 100 100 GLN CA C 13 53.2424 0.05 . 1 . . . . . 332 Q CA . 27915 1 367 . 1 1 100 100 GLN CB C 13 31.2633 0.05 . 1 . . . . . 332 Q CB . 27915 1 368 . 1 1 100 100 GLN N N 15 120.2383 0.05 . 1 . . . . . 332 Q N . 27915 1 369 . 1 1 102 102 ARG H H 1 8.5862 0.01 . 1 . . . . . 334 R HN . 27915 1 370 . 1 1 102 102 ARG CA C 13 54.7467 0.05 . 1 . . . . . 334 R CA . 27915 1 371 . 1 1 102 102 ARG CB C 13 35.2306 0.05 . 1 . . . . . 334 R CB . 27915 1 372 . 1 1 102 102 ARG N N 15 120.3117 0.05 . 1 . . . . . 334 R N . 27915 1 373 . 1 1 103 103 ARG H H 1 8.6521 0.01 . 1 . . . . . 335 R HN . 27915 1 374 . 1 1 103 103 ARG CA C 13 55.8986 0.05 . 1 . . . . . 335 R CA . 27915 1 375 . 1 1 103 103 ARG CB C 13 31.6007 0.05 . 1 . . . . . 335 R CB . 27915 1 376 . 1 1 103 103 ARG N N 15 127.2206 0.05 . 1 . . . . . 335 R N . 27915 1 377 . 1 1 104 104 LYS H H 1 7.2680 0.01 . 1 . . . . . 336 K HN . 27915 1 378 . 1 1 104 104 LYS CA C 13 59.3336 0.05 . 1 . . . . . 336 K CA . 27915 1 379 . 1 1 104 104 LYS CB C 13 31.6850 0.05 . 1 . . . . . 336 K CB . 27915 1 380 . 1 1 104 104 LYS N N 15 124.6968 0.05 . 1 . . . . . 336 K N . 27915 1 381 . 1 1 105 105 SER H H 1 9.8584 0.01 . 1 . . . . . 337 S HN . 27915 1 382 . 1 1 105 105 SER CA C 13 60.2853 0.05 . 1 . . . . . 337 S CA . 27915 1 383 . 1 1 105 105 SER N N 15 114.7423 0.05 . 1 . . . . . 337 S N . 27915 1 384 . 1 1 106 106 ASP H H 1 7.1633 0.01 . 1 . . . . . 338 D HN . 27915 1 385 . 1 1 106 106 ASP CA C 13 52.1177 0.05 . 1 . . . . . 338 D CA . 27915 1 386 . 1 1 106 106 ASP CB C 13 40.9620 0.05 . 1 . . . . . 338 D CB . 27915 1 387 . 1 1 106 106 ASP N N 15 116.6143 0.05 . 1 . . . . . 338 D N . 27915 1 388 . 1 1 107 107 LEU H H 1 7.5530 0.01 . 1 . . . . . 339 L HN . 27915 1 389 . 1 1 107 107 LEU CA C 13 56.0838 0.05 . 1 . . . . . 339 L CA . 27915 1 390 . 1 1 107 107 LEU CB C 13 37.8416 0.05 . 1 . . . . . 339 L CB . 27915 1 391 . 1 1 107 107 LEU N N 15 115.0106 0.05 . 1 . . . . . 339 L N . 27915 1 392 . 1 1 108 108 GLU H H 1 7.7128 0.01 . 1 . . . . . 340 E HN . 27915 1 393 . 1 1 108 108 GLU CA C 13 57.2247 0.05 . 1 . . . . . 340 E CA . 27915 1 394 . 1 1 108 108 GLU CB C 13 29.4079 0.05 . 1 . . . . . 340 E CB . 27915 1 395 . 1 1 108 108 GLU N N 15 120.2676 0.05 . 1 . . . . . 340 E N . 27915 1 396 . 1 1 109 109 THR H H 1 8.1368 0.01 . 1 . . . . . 341 T HN . 27915 1 397 . 1 1 109 109 THR CA C 13 59.0081 0.05 . 1 . . . . . 341 T CA . 27915 1 398 . 1 1 109 109 THR CB C 13 72.6726 0.05 . 1 . . . . . 341 T CB . 27915 1 399 . 1 1 109 109 THR N N 15 108.9959 0.05 . 1 . . . . . 341 T N . 27915 1 400 . 1 1 110 110 SER H H 1 8.3403 0.01 . 1 . . . . . 342 S HN . 27915 1 401 . 1 1 110 110 SER CA C 13 57.2939 0.05 . 1 . . . . . 342 S CA . 27915 1 402 . 1 1 110 110 SER CB C 13 66.6003 0.05 . 1 . . . . . 342 S CB . 27915 1 403 . 1 1 110 110 SER N N 15 113.8917 0.05 . 1 . . . . . 342 S N . 27915 1 404 . 1 1 111 111 GLU H H 1 8.9230 0.01 . 1 . . . . . 343 E HN . 27915 1 405 . 1 1 111 111 GLU CA C 13 55.5255 0.05 . 1 . . . . . 343 E CA . 27915 1 406 . 1 1 111 111 GLU CB C 13 28.4802 0.05 . 1 . . . . . 343 E CB . 27915 1 407 . 1 1 111 111 GLU N N 15 121.8727 0.05 . 1 . . . . . 343 E N . 27915 1 408 . 1 1 112 112 PRO CA C 13 62.2328 0.05 . 1 . . . . . 344 P CA . 27915 1 409 . 1 1 112 112 PRO CB C 13 33.2874 0.05 . 1 . . . . . 344 P CB . 27915 1 410 . 1 1 113 113 LYS H H 1 9.2885 0.01 . 1 . . . . . 345 K HN . 27915 1 411 . 1 1 113 113 LYS CA C 13 51.4624 0.05 . 1 . . . . . 345 K CA . 27915 1 412 . 1 1 113 113 LYS CB C 13 33.2874 0.05 . 1 . . . . . 345 K CB . 27915 1 413 . 1 1 113 113 LYS N N 15 120.0679 0.05 . 1 . . . . . 345 K N . 27915 1 414 . 1 1 114 114 PRO CA C 13 62.8086 0.05 . 1 . . . . . 346 P CA . 27915 1 415 . 1 1 114 114 PRO CB C 13 31.8537 0.05 . 1 . . . . . 346 P CB . 27915 1 416 . 1 1 115 115 PHE H H 1 8.2254 0.01 . 1 . . . . . 347 F HN . 27915 1 417 . 1 1 115 115 PHE CA C 13 56.9916 0.05 . 1 . . . . . 347 F CA . 27915 1 418 . 1 1 115 115 PHE CB C 13 42.5644 0.05 . 1 . . . . . 347 F CB . 27915 1 419 . 1 1 115 115 PHE N N 15 122.0424 0.05 . 1 . . . . . 347 F N . 27915 1 420 . 1 1 116 116 LEU H H 1 7.1618 0.01 . 1 . . . . . 348 L HN . 27915 1 421 . 1 1 116 116 LEU CA C 13 53.1944 0.05 . 1 . . . . . 348 L CA . 27915 1 422 . 1 1 116 116 LEU CB C 13 44.4198 0.05 . 1 . . . . . 348 L CB . 27915 1 423 . 1 1 116 116 LEU N N 15 129.0803 0.05 . 1 . . . . . 348 L N . 27915 1 424 . 1 1 117 117 TYR H H 1 8.7738 0.01 . 1 . . . . . 349 Y HN . 27915 1 425 . 1 1 117 117 TYR CA C 13 56.6411 0.05 . 1 . . . . . 349 Y CA . 27915 1 426 . 1 1 117 117 TYR CB C 13 40.2030 0.05 . 1 . . . . . 349 Y CB . 27915 1 427 . 1 1 117 117 TYR N N 15 123.3527 0.05 . 1 . . . . . 349 Y N . 27915 1 428 . 1 1 118 118 TYR H H 1 8.5171 0.01 . 1 . . . . . 350 Y HN . 27915 1 429 . 1 1 118 118 TYR CA C 13 53.3027 0.05 . 1 . . . . . 350 Y CA . 27915 1 430 . 1 1 118 118 TYR CB C 13 38.2632 0.05 . 1 . . . . . 350 Y CB . 27915 1 431 . 1 1 118 118 TYR N N 15 117.7422 0.05 . 1 . . . . . 350 Y N . 27915 1 432 . 1 1 119 119 PRO CA C 13 62.1465 0.05 . 1 . . . . . 351 P CA . 27915 1 433 . 1 1 119 119 PRO CB C 13 32.2753 0.05 . 1 . . . . . 351 P CB . 27915 1 434 . 1 1 120 120 GLU H H 1 8.5900 0.01 . 1 . . . . . 352 E HN . 27915 1 435 . 1 1 120 120 GLU CA C 13 57.1650 0.05 . 1 . . . . . 352 E CA . 27915 1 436 . 1 1 120 120 GLU CB C 13 30.0826 0.05 . 1 . . . . . 352 E CB . 27915 1 437 . 1 1 120 120 GLU N N 15 121.1591 0.05 . 1 . . . . . 352 E N . 27915 1 438 . 1 1 121 121 ILE H H 1 7.7148 0.01 . 1 . . . . . 353 I HN . 27915 1 439 . 1 1 121 121 ILE CA C 13 62.7321 0.05 . 1 . . . . . 353 I CA . 27915 1 440 . 1 1 121 121 ILE CB C 13 39.1066 0.05 . 1 . . . . . 353 I CB . 27915 1 441 . 1 1 121 121 ILE N N 15 127.1542 0.05 . 1 . . . . . 353 I N . 27915 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 27915 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name . _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 700 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak integral' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 6 'T1, T2, NOE' . . . 27915 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $NMRView . . 27915 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 18 18 LEU N N 15 . 1 1 18 18 LEU H H 1 0.85352 0.051313 . . . 250 LEU N . 250 LEU H 27915 1 2 . 1 1 19 19 LYS N N 15 . 1 1 19 19 LYS H H 1 0.795833 0.088609 . . . 251 LYS N . 251 LYS H 27915 1 3 . 1 1 20 20 ILE N N 15 . 1 1 20 20 ILE H H 1 0.7867 0.016845 . . . 252 ILE N . 252 ILE H 27915 1 4 . 1 1 21 21 VAL N N 15 . 1 1 21 21 VAL H H 1 0.83335 0.038758 . . . 253 VAL N . 253 VAL H 27915 1 5 . 1 1 22 22 ARG N N 15 . 1 1 22 22 ARG H H 1 0.803143 0.062911 . . . 254 ARG N . 254 ARG H 27915 1 6 . 1 1 23 23 MET N N 15 . 1 1 23 23 MET H H 1 0.82898 0.009894 . . . 255 MET N . 255 MET H 27915 1 7 . 1 1 25 25 ARG N N 15 . 1 1 25 25 ARG H H 1 0.71495 0.019443 . . . 257 ARG N . 257 ARG H 27915 1 8 . 1 1 26 26 THR N N 15 . 1 1 26 26 THR H H 1 0.761203 0.057001 . . . 258 THR N . 258 THR H 27915 1 9 . 1 1 27 27 ALA N N 15 . 1 1 27 27 ALA H H 1 0.831423 0.023253 . . . 259 ALA N . 259 ALA H 27915 1 10 . 1 1 28 28 GLY N N 15 . 1 1 28 28 GLY H H 1 0.869967 0.056723 . . . 260 GLY N . 260 GLY H 27915 1 11 . 1 1 29 29 CYS N N 15 . 1 1 29 29 CYS H H 1 0.869923 0.018103 . . . 261 CYS N . 261 CYS H 27915 1 12 . 1 1 30 30 VAL N N 15 . 1 1 30 30 VAL H H 1 0.90358 0.084564 . . . 262 VAL N . 262 VAL H 27915 1 13 . 1 1 31 31 THR N N 15 . 1 1 31 31 THR H H 1 0.822343 0.134724 . . . 263 THR N . 263 THR H 27915 1 14 . 1 1 32 32 GLY N N 15 . 1 1 32 32 GLY H H 1 0.873587 0.011169 . . . 264 GLY N . 264 GLY H 27915 1 15 . 1 1 33 33 GLY N N 15 . 1 1 33 33 GLY H H 1 0.803247 0.046317 . . . 265 GLY N . 265 GLY H 27915 1 16 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.906393 0.022564 . . . 266 GLU N . 266 GLU H 27915 1 17 . 1 1 35 35 GLU N N 15 . 1 1 35 35 GLU H H 1 0.782697 0.014551 . . . 267 GLU N . 267 GLU H 27915 1 18 . 1 1 36 36 ILE N N 15 . 1 1 36 36 ILE H H 1 0.868143 0.093772 . . . 268 ILE N . 268 ILE H 27915 1 19 . 1 1 37 37 TYR N N 15 . 1 1 37 37 TYR H H 1 0.8814 0.098978 . . . 269 TYR N . 269 TYR H 27915 1 20 . 1 1 38 38 LEU N N 15 . 1 1 38 38 LEU H H 1 0.87899 0.02532 . . . 270 LEU N . 270 LEU H 27915 1 21 . 1 1 39 39 LEU N N 15 . 1 1 39 39 LEU H H 1 0.918123 0.019399 . . . 271 LEU N . 271 LEU H 27915 1 22 . 1 1 41 41 ASP N N 15 . 1 1 41 41 ASP H H 1 0.856357 0.050714 . . . 273 ASP N . 273 ASP H 27915 1 23 . 1 1 42 42 LYS N N 15 . 1 1 42 42 LYS H H 1 0.824413 0.071762 . . . 274 LYS N . 274 LYS H 27915 1 24 . 1 1 43 43 VAL N N 15 . 1 1 43 43 VAL H H 1 0.83448 0.083589 . . . 275 VAL N . 275 VAL H 27915 1 25 . 1 1 44 44 GLN N N 15 . 1 1 44 44 GLN H H 1 0.802477 0.061405 . . . 276 GLN N . 276 GLN H 27915 1 26 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.82593 0.039037 . . . 278 ASP N . 278 ASP H 27915 1 27 . 1 1 47 47 ASP N N 15 . 1 1 47 47 ASP H H 1 0.790583 0.048088 . . . 279 ASP N . 279 ASP H 27915 1 28 . 1 1 48 48 ILE N N 15 . 1 1 48 48 ILE H H 1 0.59518 0.022675 . . . 280 ILE N . 280 ILE H 27915 1 29 . 1 1 49 49 GLN N N 15 . 1 1 49 49 GLN H H 1 0.762017 0.032651 . . . 281 GLN N . 281 GLN H 27915 1 30 . 1 1 50 50 ILE N N 15 . 1 1 50 50 ILE H H 1 0.84449 0.016847 . . . 282 ILE N . 282 ILE H 27915 1 31 . 1 1 51 51 ARG N N 15 . 1 1 51 51 ARG H H 1 0.88295 0.034655 . . . 283 ARG N . 283 ARG H 27915 1 32 . 1 1 52 52 PHE N N 15 . 1 1 52 52 PHE H H 1 0.85007 0.071381 . . . 284 PHE N . 284 PHE H 27915 1 33 . 1 1 53 53 TYR N N 15 . 1 1 53 53 TYR H H 1 0.840473 0.012248 . . . 285 TYR N . 285 TYR H 27915 1 34 . 1 1 54 54 GLU N N 15 . 1 1 54 54 GLU H H 1 0.917837 0.072612 . . . 286 GLU N . 286 GLU H 27915 1 35 . 1 1 55 55 GLU N N 15 . 1 1 55 55 GLU H H 1 0.747483 0.01018 . . . 287 GLU N . 287 GLU H 27915 1 36 . 1 1 56 56 GLU N N 15 . 1 1 56 56 GLU H H 1 0.460387 0.033688 . . . 288 GLU N . 288 GLU H 27915 1 37 . 1 1 58 58 ASN N N 15 . 1 1 58 58 ASN H H 1 0.415757 0.010557 . . . 290 ASN N . 290 ASN H 27915 1 38 . 1 1 59 59 GLY N N 15 . 1 1 59 59 GLY H H 1 0.488577 0.012926 . . . 291 GLY N . 291 GLY H 27915 1 39 . 1 1 60 60 GLY N N 15 . 1 1 60 60 GLY H H 1 0.38914 0.025652 . . . 292 GLY N . 292 GLY H 27915 1 40 . 1 1 61 61 VAL N N 15 . 1 1 61 61 VAL H H 1 0.622047 0.004008 . . . 293 VAL N . 293 VAL H 27915 1 41 . 1 1 62 62 TRP N N 15 . 1 1 62 62 TRP H H 1 0.639427 0.023647 . . . 294 TRP N . 294 TRP H 27915 1 42 . 1 1 63 63 GLU N N 15 . 1 1 63 63 GLU H H 1 0.877373 0.013072 . . . 295 GLU N . 295 GLU H 27915 1 43 . 1 1 64 64 GLY N N 15 . 1 1 64 64 GLY H H 1 0.792167 0.057482 . . . 296 GLY N . 296 GLY H 27915 1 44 . 1 1 65 65 PHE N N 15 . 1 1 65 65 PHE H H 1 0.85463 0.039829 . . . 297 PHE N . 297 PHE H 27915 1 45 . 1 1 66 66 GLY N N 15 . 1 1 66 66 GLY H H 1 0.880177 0.059563 . . . 298 GLY N . 298 GLY H 27915 1 46 . 1 1 67 67 ASP N N 15 . 1 1 67 67 ASP H H 1 0.876213 0.091029 . . . 299 ASP N . 299 ASP H 27915 1 47 . 1 1 68 68 PHE N N 15 . 1 1 68 68 PHE H H 1 0.84774 0.017328 . . . 300 PHE N . 300 PHE H 27915 1 48 . 1 1 69 69 SER N N 15 . 1 1 69 69 SER H H 1 0.798957 0.112358 . . . 301 SER N . 301 SER H 27915 1 49 . 1 1 71 71 THR N N 15 . 1 1 71 71 THR H H 1 0.77756 0.012151 . . . 303 THR N . 303 THR H 27915 1 50 . 1 1 72 72 ASP N N 15 . 1 1 72 72 ASP H H 1 0.82351 0.032751 . . . 304 ASP N . 304 ASP H 27915 1 51 . 1 1 73 73 VAL N N 15 . 1 1 73 73 VAL H H 1 0.82335 0.032766 . . . 305 VAL N . 305 VAL H 27915 1 52 . 1 1 74 74 HIS N N 15 . 1 1 74 74 HIS H H 1 0.88888 0.062236 . . . 306 HIS N . 306 HIS H 27915 1 53 . 1 1 75 75 ARG N N 15 . 1 1 75 75 ARG H H 1 0.95531 0.093959 . . . 307 ARG N . 307 ARG H 27915 1 54 . 1 1 76 76 GLN N N 15 . 1 1 76 76 GLN H H 1 0.839857 0.044364 . . . 308 GLN N . 308 GLN H 27915 1 55 . 1 1 77 77 PHE N N 15 . 1 1 77 77 PHE H H 1 0.849607 0.029838 . . . 309 PHE N . 309 PHE H 27915 1 56 . 1 1 78 78 ALA N N 15 . 1 1 78 78 ALA H H 1 0.917743 0.036324 . . . 310 ALA N . 310 ALA H 27915 1 57 . 1 1 79 79 ILE N N 15 . 1 1 79 79 ILE H H 1 0.854853 0.05875 . . . 311 ILE N . 311 ILE H 27915 1 58 . 1 1 80 80 VAL N N 15 . 1 1 80 80 VAL H H 1 0.865993 0.09838 . . . 312 VAL N . 312 VAL H 27915 1 59 . 1 1 81 81 PHE N N 15 . 1 1 81 81 PHE H H 1 0.903277 0.066389 . . . 313 PHE N . 313 PHE H 27915 1 60 . 1 1 82 82 LYS N N 15 . 1 1 82 82 LYS H H 1 0.890827 0.122947 . . . 314 LYS N . 314 LYS H 27915 1 61 . 1 1 83 83 THR N N 15 . 1 1 83 83 THR H H 1 0.876177 0.031213 . . . 315 THR N . 315 THR H 27915 1 62 . 1 1 89 89 VAL N N 15 . 1 1 89 89 VAL H H 1 0.80963 0.065136 . . . 321 VAL N . 321 VAL H 27915 1 63 . 1 1 90 90 ASN N N 15 . 1 1 90 90 ASN H H 1 0.778297 0.018949 . . . 322 ASN N . 322 ASN H 27915 1 64 . 1 1 91 91 ILE N N 15 . 1 1 91 91 ILE H H 1 0.58542 0.043587 . . . 323 ILE N . 323 ILE H 27915 1 65 . 1 1 92 92 THR N N 15 . 1 1 92 92 THR H H 1 0.712363 0.032257 . . . 324 THR N . 324 THR H 27915 1 66 . 1 1 93 93 LYS N N 15 . 1 1 93 93 LYS H H 1 0.69563 0.02455 . . . 325 LYS N . 325 LYS H 27915 1 67 . 1 1 95 95 ALA N N 15 . 1 1 95 95 ALA H H 1 0.834197 0.035081 . . . 327 ALA N . 327 ALA H 27915 1 68 . 1 1 96 96 SER N N 15 . 1 1 96 96 SER H H 1 0.731937 0.010019 . . . 328 SER N . 328 SER H 27915 1 69 . 1 1 97 97 VAL N N 15 . 1 1 97 97 VAL H H 1 0.84331 0.036734 . . . 329 VAL N . 329 VAL H 27915 1 70 . 1 1 98 98 PHE N N 15 . 1 1 98 98 PHE H H 1 0.914577 0.049928 . . . 330 PHE N . 330 PHE H 27915 1 71 . 1 1 99 99 VAL N N 15 . 1 1 99 99 VAL H H 1 0.830123 0.053544 . . . 331 VAL N . 331 VAL H 27915 1 72 . 1 1 100 100 GLN N N 15 . 1 1 100 100 GLN H H 1 0.84465 0.040162 . . . 332 GLN N . 332 GLN H 27915 1 73 . 1 1 103 103 ARG N N 15 . 1 1 103 103 ARG H H 1 0.779457 0.086114 . . . 335 ARG N . 335 ARG H 27915 1 74 . 1 1 104 104 LYS N N 15 . 1 1 104 104 LYS H H 1 0.73672 0.12141 . . . 336 LYS N . 336 LYS H 27915 1 75 . 1 1 105 105 SER N N 15 . 1 1 105 105 SER H H 1 0.806963 0.044247 . . . 337 SER N . 337 SER H 27915 1 76 . 1 1 106 106 ASP N N 15 . 1 1 106 106 ASP H H 1 0.75074 0.080374 . . . 338 ASP N . 338 ASP H 27915 1 77 . 1 1 107 107 LEU N N 15 . 1 1 107 107 LEU H H 1 0.791673 0.018442 . . . 339 LEU N . 339 LEU H 27915 1 78 . 1 1 108 108 GLU N N 15 . 1 1 108 108 GLU H H 1 0.784113 0.112853 . . . 340 GLU N . 340 GLU H 27915 1 79 . 1 1 109 109 THR N N 15 . 1 1 109 109 THR H H 1 0.736177 0.051295 . . . 341 THR N . 341 THR H 27915 1 80 . 1 1 110 110 SER N N 15 . 1 1 110 110 SER H H 1 0.816707 0.104343 . . . 342 SER N . 342 SER H 27915 1 81 . 1 1 111 111 GLU N N 15 . 1 1 111 111 GLU H H 1 0.73594 0.057916 . . . 343 GLU N . 343 GLU H 27915 1 82 . 1 1 113 113 LYS N N 15 . 1 1 113 113 LYS H H 1 0.80658 0.046177 . . . 345 LYS N . 345 LYS H 27915 1 83 . 1 1 115 115 PHE N N 15 . 1 1 115 115 PHE H H 1 0.878213 0.089455 . . . 347 PHE N . 347 PHE H 27915 1 84 . 1 1 116 116 LEU N N 15 . 1 1 116 116 LEU H H 1 0.80599 0.050414 . . . 348 LEU N . 348 LEU H 27915 1 85 . 1 1 118 118 TYR N N 15 . 1 1 118 118 TYR H H 1 0.859133 0.045709 . . . 350 TYR N . 350 TYR H 27915 1 86 . 1 1 120 120 GLU N N 15 . 1 1 120 120 GLU H H 1 0.586857 0.030564 . . . 352 GLU N . 352 GLU H 27915 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 27915 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name . _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 700 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 6 'T1, T2, NOE' . . . 27915 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 1 $NMRView . . 27915 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 18 18 LEU N N 15 1.467894 0.051771 . . 250 LEU N 27915 1 2 . 1 1 19 19 LYS N N 15 1.416116 0.092533 . . 251 LYS N 27915 1 3 . 1 1 20 20 ILE N N 15 1.674396 0.071668 . . 252 ILE N 27915 1 4 . 1 1 21 21 VAL N N 15 1.375291 0.056945 . . 253 VAL N 27915 1 5 . 1 1 22 22 ARG N N 15 1.410768 0.056538 . . 254 ARG N 27915 1 6 . 1 1 23 23 MET N N 15 1.344722 0.062585 . . 255 MET N 27915 1 7 . 1 1 24 24 ASP N N 15 1.562298 0.091105 . . 256 ASP N 27915 1 8 . 1 1 25 25 ARG N N 15 1.468291 0.059497 . . 257 ARG N 27915 1 9 . 1 1 26 26 THR N N 15 1.504571 0.068361 . . 258 THR N 27915 1 10 . 1 1 27 27 ALA N N 15 1.617554 0.065588 . . 259 ALA N 27915 1 11 . 1 1 28 28 GLY N N 15 1.404917 0.1295 . . 260 GLY N 27915 1 12 . 1 1 29 29 CYS N N 15 1.546563 0.106598 . . 261 CYS N 27915 1 13 . 1 1 30 30 VAL N N 15 1.420187 0.065674 . . 262 VAL N 27915 1 14 . 1 1 31 31 THR N N 15 1.445874 0.071176 . . 263 THR N 27915 1 15 . 1 1 32 32 GLY N N 15 1.280987 0.065528 . . 264 GLY N 27915 1 16 . 1 1 33 33 GLY N N 15 1.548942 0.073826 . . 265 GLY N 27915 1 17 . 1 1 34 34 GLU N N 15 1.592604 0.092397 . . 266 GLU N 27915 1 18 . 1 1 35 35 GLU N N 15 1.64881 0.084506 . . 267 GLU N 27915 1 19 . 1 1 36 36 ILE N N 15 1.490761 0.054142 . . 268 ILE N 27915 1 20 . 1 1 37 37 TYR N N 15 1.4587 0.065503 . . 269 TYR N 27915 1 21 . 1 1 38 38 LEU N N 15 1.434647 0.054505 . . 270 LEU N 27915 1 22 . 1 1 39 39 LEU N N 15 1.445543 0.065442 . . 271 LEU N 27915 1 23 . 1 1 41 41 ASP N N 15 1.684421 0.113587 . . 273 ASP N 27915 1 24 . 1 1 42 42 LYS N N 15 1.448472 0.067891 . . 274 LYS N 27915 1 25 . 1 1 43 43 VAL N N 15 1.658638 0.07408 . . 275 VAL N 27915 1 26 . 1 1 44 44 GLN N N 15 1.484203 0.068819 . . 276 GLN N 27915 1 27 . 1 1 45 45 LYS N N 15 1.605105 0.088904 . . 277 LYS N 27915 1 28 . 1 1 46 46 ASP N N 15 1.319792 0.067925 . . 278 ASP N 27915 1 29 . 1 1 47 47 ASP N N 15 1.568143 0.075448 . . 279 ASP N 27915 1 30 . 1 1 48 48 ILE N N 15 1.398285 0.060001 . . 280 ILE N 27915 1 31 . 1 1 49 49 GLN N N 15 1.463745 0.068928 . . 281 GLN N 27915 1 32 . 1 1 50 50 ILE N N 15 1.451682 0.079602 . . 282 ILE N 27915 1 33 . 1 1 51 51 ARG N N 15 1.429169 0.055657 . . 283 ARG N 27915 1 34 . 1 1 52 52 PHE N N 15 1.402097 0.067935 . . 284 PHE N 27915 1 35 . 1 1 53 53 TYR N N 15 1.56768 0.069227 . . 285 TYR N 27915 1 36 . 1 1 54 54 GLU N N 15 1.456912 0.060794 . . 286 GLU N 27915 1 37 . 1 1 55 55 GLU N N 15 1.537707 0.047009 . . 287 GLU N 27915 1 38 . 1 1 56 56 GLU N N 15 1.279709 0.041812 . . 288 GLU N 27915 1 39 . 1 1 57 57 GLU N N 15 1.095877 0.068321 . . 289 GLU N 27915 1 40 . 1 1 58 58 ASN N N 15 1.10251 0.0742 . . 290 ASN N 27915 1 41 . 1 1 59 59 GLY N N 15 1.105793 0.06117 . . 291 GLY N 27915 1 42 . 1 1 60 60 GLY N N 15 0.974006 0.037281 . . 292 GLY N 27915 1 43 . 1 1 61 61 VAL N N 15 1.326411 0.046455 . . 293 VAL N 27915 1 44 . 1 1 62 62 TRP N N 15 1.328236 0.045647 . . 294 TRP N 27915 1 45 . 1 1 63 63 GLU N N 15 1.523089 0.05995 . . 295 GLU N 27915 1 46 . 1 1 64 64 GLY N N 15 1.474607 0.064384 . . 296 GLY N 27915 1 47 . 1 1 65 65 PHE N N 15 1.56326 0.078811 . . 297 PHE N 27915 1 48 . 1 1 66 66 GLY N N 15 1.473336 0.078286 . . 298 GLY N 27915 1 49 . 1 1 67 67 ASP N N 15 1.464521 0.051698 . . 299 ASP N 27915 1 50 . 1 1 68 68 PHE N N 15 1.688943 0.077161 . . 300 PHE N 27915 1 51 . 1 1 69 69 SER N N 15 1.671042 0.086388 . . 301 SER N 27915 1 52 . 1 1 71 71 THR N N 15 1.284434 0.08147 . . 303 THR N 27915 1 53 . 1 1 72 72 ASP N N 15 1.563806 0.09183 . . 304 ASP N 27915 1 54 . 1 1 73 73 VAL N N 15 1.388345 0.061474 . . 305 VAL N 27915 1 55 . 1 1 74 74 HIS N N 15 1.556997 0.060526 . . 306 HIS N 27915 1 56 . 1 1 75 75 ARG N N 15 1.26065 0.07052 . . 307 ARG N 27915 1 57 . 1 1 76 76 GLN N N 15 1.411186 0.055719 . . 308 GLN N 27915 1 58 . 1 1 77 77 PHE N N 15 1.645042 0.08163 . . 309 PHE N 27915 1 59 . 1 1 78 78 ALA N N 15 1.372266 0.060559 . . 310 ALA N 27915 1 60 . 1 1 79 79 ILE N N 15 1.496716 0.062422 . . 311 ILE N 27915 1 61 . 1 1 80 80 VAL N N 15 1.465529 0.068802 . . 312 VAL N 27915 1 62 . 1 1 81 81 PHE N N 15 1.403246 0.060577 . . 313 PHE N 27915 1 63 . 1 1 82 82 LYS N N 15 1.544337 0.063349 . . 314 LYS N 27915 1 64 . 1 1 83 83 THR N N 15 1.713349 0.087353 . . 315 THR N 27915 1 65 . 1 1 89 89 VAL N N 15 1.653792 0.055907 . . 321 VAL N 27915 1 66 . 1 1 90 90 ASN N N 15 1.543766 0.046349 . . 322 ASN N 27915 1 67 . 1 1 91 91 ILE N N 15 1.577234 0.05739 . . 323 ILE N 27915 1 68 . 1 1 92 92 THR N N 15 1.524411 0.0871 . . 324 THR N 27915 1 69 . 1 1 93 93 LYS N N 15 1.479318 0.056975 . . 325 LYS N 27915 1 70 . 1 1 95 95 ALA N N 15 1.651563 0.049974 . . 327 ALA N 27915 1 71 . 1 1 96 96 SER N N 15 1.855331 0.059716 . . 328 SER N 27915 1 72 . 1 1 97 97 VAL N N 15 1.769185 0.078059 . . 329 VAL N 27915 1 73 . 1 1 98 98 PHE N N 15 1.614725 0.072722 . . 330 PHE N 27915 1 74 . 1 1 99 99 VAL N N 15 1.502859 0.061332 . . 331 VAL N 27915 1 75 . 1 1 100 100 GLN N N 15 1.425759 0.049905 . . 332 GLN N 27915 1 76 . 1 1 103 103 ARG N N 15 1.370539 0.085799 . . 335 ARG N 27915 1 77 . 1 1 104 104 LYS N N 15 1.595493 0.093199 . . 336 LYS N 27915 1 78 . 1 1 105 105 SER N N 15 1.574631 0.123362 . . 337 SER N 27915 1 79 . 1 1 106 106 ASP N N 15 1.679097 0.107799 . . 338 ASP N 27915 1 80 . 1 1 107 107 LEU N N 15 1.45483 0.084523 . . 339 LEU N 27915 1 81 . 1 1 108 108 GLU N N 15 1.375485 0.071527 . . 340 GLU N 27915 1 82 . 1 1 109 109 THR N N 15 1.488562 0.091394 . . 341 THR N 27915 1 83 . 1 1 110 110 SER N N 15 1.40151 0.077681 . . 342 SER N 27915 1 84 . 1 1 111 111 GLU N N 15 1.394129 0.054027 . . 343 GLU N 27915 1 85 . 1 1 113 113 LYS N N 15 1.51397 0.058496 . . 345 LYS N 27915 1 86 . 1 1 115 115 PHE N N 15 1.891531 0.064096 . . 347 PHE N 27915 1 87 . 1 1 116 116 LEU N N 15 1.839722 0.051266 . . 348 LEU N 27915 1 88 . 1 1 117 117 TYR N N 15 1.615864 0.086277 . . 349 TYR N 27915 1 89 . 1 1 118 118 TYR N N 15 1.598502 0.065537 . . 350 TYR N 27915 1 90 . 1 1 120 120 GLU N N 15 1.581363 0.058806 . . 352 GLU N 27915 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 27915 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Name . _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method 'no calibration applied' _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _Heteronucl_T2_list.Spectrometer_frequency_1H 700 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 6 'T1, T2, NOE' . . . 27915 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 1 $NMRView . . 27915 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 18 18 LEU N N 15 0.043853 0.000311 . . . . 250 LEU N 27915 1 2 . 1 1 19 19 LYS N N 15 0.041217 0.000823 . . . . 251 LYS N 27915 1 3 . 1 1 20 20 ILE N N 15 0.040009 0.000764 . . . . 252 ILE N 27915 1 4 . 1 1 21 21 VAL N N 15 0.040642 0.001504 . . . . 253 VAL N 27915 1 5 . 1 1 22 22 ARG N N 15 0.044679 0.000733 . . . . 254 ARG N 27915 1 6 . 1 1 23 23 MET N N 15 0.045876 0.000751 . . . . 255 MET N 27915 1 7 . 1 1 24 24 ASP N N 15 0.043039 0.001737 . . . . 256 ASP N 27915 1 8 . 1 1 25 25 ARG N N 15 0.043513 0.00061 . . . . 257 ARG N 27915 1 9 . 1 1 26 26 THR N N 15 0.043893 0.000743 . . . . 258 THR N 27915 1 10 . 1 1 27 27 ALA N N 15 0.035131 0.000612 . . . . 259 ALA N 27915 1 11 . 1 1 28 28 GLY N N 15 0.035387 0.000681 . . . . 260 GLY N 27915 1 12 . 1 1 29 29 CYS N N 15 0.035369 0.001059 . . . . 261 CYS N 27915 1 13 . 1 1 30 30 VAL N N 15 0.040444 0.000511 . . . . 262 VAL N 27915 1 14 . 1 1 31 31 THR N N 15 0.037873 0.000647 . . . . 263 THR N 27915 1 15 . 1 1 32 32 GLY N N 15 0.040785 0.000881 . . . . 264 GLY N 27915 1 16 . 1 1 33 33 GLY N N 15 0.038484 0.000696 . . . . 265 GLY N 27915 1 17 . 1 1 34 34 GLU N N 15 0.035515 0.000862 . . . . 266 GLU N 27915 1 18 . 1 1 35 35 GLU N N 15 0.039961 0.000554 . . . . 267 GLU N 27915 1 19 . 1 1 36 36 ILE N N 15 0.039241 0.000858 . . . . 268 ILE N 27915 1 20 . 1 1 37 37 TYR N N 15 0.041461 0.000835 . . . . 269 TYR N 27915 1 21 . 1 1 38 38 LEU N N 15 0.044503 0.000731 . . . . 270 LEU N 27915 1 22 . 1 1 39 39 LEU N N 15 0.041927 0.001097 . . . . 271 LEU N 27915 1 23 . 1 1 41 41 ASP N N 15 0.035631 0.001089 . . . . 273 ASP N 27915 1 24 . 1 1 42 42 LYS N N 15 0.042455 0.000421 . . . . 274 LYS N 27915 1 25 . 1 1 43 43 VAL N N 15 0.034056 0.00095 . . . . 275 VAL N 27915 1 26 . 1 1 44 44 GLN N N 15 0.044562 0.000977 . . . . 276 GLN N 27915 1 27 . 1 1 45 45 LYS N N 15 0.040087 0.00121 . . . . 277 LYS N 27915 1 28 . 1 1 46 46 ASP N N 15 0.039082 0.000964 . . . . 278 ASP N 27915 1 29 . 1 1 47 47 ASP N N 15 0.037422 0.00046 . . . . 279 ASP N 27915 1 30 . 1 1 48 48 ILE N N 15 0.04944 0.000689 . . . . 280 ILE N 27915 1 31 . 1 1 49 49 GLN N N 15 0.043778 0.000788 . . . . 281 GLN N 27915 1 32 . 1 1 50 50 ILE N N 15 0.046281 0.000785 . . . . 282 ILE N 27915 1 33 . 1 1 51 51 ARG N N 15 0.038259 0.000669 . . . . 283 ARG N 27915 1 34 . 1 1 52 52 PHE N N 15 0.04341 0.000934 . . . . 284 PHE N 27915 1 35 . 1 1 53 53 TYR N N 15 0.039032 0.00073 . . . . 285 TYR N 27915 1 36 . 1 1 54 54 GLU N N 15 0.039847 0.000576 . . . . 286 GLU N 27915 1 37 . 1 1 55 55 GLU N N 15 0.042327 0.000669 . . . . 287 GLU N 27915 1 38 . 1 1 56 56 GLU N N 15 0.056602 0.000649 . . . . 288 GLU N 27915 1 39 . 1 1 57 57 GLU N N 15 0.058685 0.001709 . . . . 289 GLU N 27915 1 40 . 1 1 58 58 ASN N N 15 0.056148 0.001644 . . . . 290 ASN N 27915 1 41 . 1 1 59 59 GLY N N 15 0.058335 0.00142 . . . . 291 GLY N 27915 1 42 . 1 1 60 60 GLY N N 15 0.070633 0.001634 . . . . 292 GLY N 27915 1 43 . 1 1 61 61 VAL N N 15 0.051406 0.000505 . . . . 293 VAL N 27915 1 44 . 1 1 62 62 TRP N N 15 0.046763 0.000752 . . . . 294 TRP N 27915 1 45 . 1 1 63 63 GLU N N 15 0.041523 0.000553 . . . . 295 GLU N 27915 1 46 . 1 1 64 64 GLY N N 15 0.042277 0.000702 . . . . 296 GLY N 27915 1 47 . 1 1 65 65 PHE N N 15 0.044067 0.000766 . . . . 297 PHE N 27915 1 48 . 1 1 66 66 GLY N N 15 0.041477 0.000899 . . . . 298 GLY N 27915 1 49 . 1 1 67 67 ASP N N 15 0.041725 0.000763 . . . . 299 ASP N 27915 1 50 . 1 1 68 68 PHE N N 15 0.037953 0.000445 . . . . 300 PHE N 27915 1 51 . 1 1 69 69 SER N N 15 0.03732 0.000716 . . . . 301 SER N 27915 1 52 . 1 1 71 71 THR N N 15 0.041611 0.000876 . . . . 303 THR N 27915 1 53 . 1 1 72 72 ASP N N 15 0.036887 0.000571 . . . . 304 ASP N 27915 1 54 . 1 1 73 73 VAL N N 15 0.042339 0.000759 . . . . 305 VAL N 27915 1 55 . 1 1 74 74 HIS N N 15 0.04046 0.000943 . . . . 306 HIS N 27915 1 56 . 1 1 75 75 ARG N N 15 0.042258 0.001198 . . . . 307 ARG N 27915 1 57 . 1 1 76 76 GLN N N 15 0.037615 0.000519 . . . . 308 GLN N 27915 1 58 . 1 1 77 77 PHE N N 15 0.040068 0.000983 . . . . 309 PHE N 27915 1 59 . 1 1 78 78 ALA N N 15 0.041191 0.000636 . . . . 310 ALA N 27915 1 60 . 1 1 79 79 ILE N N 15 0.043058 0.000932 . . . . 311 ILE N 27915 1 61 . 1 1 80 80 VAL N N 15 0.04136 0.000444 . . . . 312 VAL N 27915 1 62 . 1 1 81 81 PHE N N 15 0.04064 0.00065 . . . . 313 PHE N 27915 1 63 . 1 1 82 82 LYS N N 15 0.040054 0.000831 . . . . 314 LYS N 27915 1 64 . 1 1 83 83 THR N N 15 0.036302 0.000678 . . . . 315 THR N 27915 1 65 . 1 1 89 89 VAL N N 15 0.043892 0.000468 . . . . 321 VAL N 27915 1 66 . 1 1 90 90 ASN N N 15 0.036914 0.00034 . . . . 322 ASN N 27915 1 67 . 1 1 91 91 ILE N N 15 0.046572 0.00104 . . . . 323 ILE N 27915 1 68 . 1 1 92 92 THR N N 15 0.039091 0.001046 . . . . 324 THR N 27915 1 69 . 1 1 93 93 LYS N N 15 0.04473 0.000469 . . . . 325 LYS N 27915 1 70 . 1 1 95 95 ALA N N 15 0.040113 0.000555 . . . . 327 ALA N 27915 1 71 . 1 1 96 96 SER N N 15 0.044564 0.00046 . . . . 328 SER N 27915 1 72 . 1 1 97 97 VAL N N 15 0.036392 0.000632 . . . . 329 VAL N 27915 1 73 . 1 1 98 98 PHE N N 15 0.037674 0.000601 . . . . 330 PHE N 27915 1 74 . 1 1 99 99 VAL N N 15 0.043392 0.000489 . . . . 331 VAL N 27915 1 75 . 1 1 100 100 GLN N N 15 0.042233 0.000738 . . . . 332 GLN N 27915 1 76 . 1 1 103 103 ARG N N 15 0.039664 0.000708 . . . . 335 ARG N 27915 1 77 . 1 1 104 104 LYS N N 15 0.037976 0.000712 . . . . 336 LYS N 27915 1 78 . 1 1 105 105 SER N N 15 0.036977 0.001295 . . . . 337 SER N 27915 1 79 . 1 1 106 106 ASP N N 15 0.037768 0.000626 . . . . 338 ASP N 27915 1 80 . 1 1 107 107 LEU N N 15 0.039312 0.000942 . . . . 339 LEU N 27915 1 81 . 1 1 108 108 GLU N N 15 0.037457 0.00078 . . . . 340 GLU N 27915 1 82 . 1 1 109 109 THR N N 15 0.041238 0.000713 . . . . 341 THR N 27915 1 83 . 1 1 110 110 SER N N 15 0.04239 0.001167 . . . . 342 SER N 27915 1 84 . 1 1 111 111 GLU N N 15 0.039375 0.000935 . . . . 343 GLU N 27915 1 85 . 1 1 113 113 LYS N N 15 0.044013 0.000541 . . . . 345 LYS N 27915 1 86 . 1 1 115 115 PHE N N 15 0.036249 0.000394 . . . . 347 PHE N 27915 1 87 . 1 1 116 116 LEU N N 15 0.034073 0.000538 . . . . 348 LEU N 27915 1 88 . 1 1 117 117 TYR N N 15 0.038263 0.000927 . . . . 349 TYR N 27915 1 89 . 1 1 118 118 TYR N N 15 0.037967 0.000685 . . . . 350 TYR N 27915 1 90 . 1 1 120 120 GLU N N 15 0.044333 0.000526 . . . . 352 GLU N 27915 1 stop_ save_