data_26574 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26574 _Entry.Title ; Tom1 negatively modulates binding of Tollip to phosphatidylinositol 3-phosphate via a coupled folding and binding mechanism ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-05-08 _Entry.Accession_date 2015-05-08 _Entry.Last_release_date 2015-12-22 _Entry.Original_release_date 2015-12-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Shuyan Xiao . . . 26574 2 Daniel Capelluto . . . 26574 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26574 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 271 26574 '15N chemical shifts' 88 26574 '1H chemical shifts' 88 26574 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-12-22 . original BMRB . 26574 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26574 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26320582 _Citation.Full_citation . _Citation.Title ; Tom1 Modulates Binding of Tollip to Phosphatidylinositol 3-Phosphate via a Coupled Folding and Binding Mechanism ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 23 _Citation.Journal_issue 10 _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 1910 _Citation.Page_last 1920 _Citation.Year 2015 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Shuyan Xiao . . . 26574 1 2 Mary Brannon . K. . 26574 1 3 Xiaolin Zhao . . . 26574 1 4 Kristen Fread . I. . 26574 1 5 Jeffrey Ellena . F. . 26574 1 6 John Bushweller . H. . 26574 1 7 Carla Finkielstein . V. . 26574 1 8 Geoffrey Armstrong . S. . 26574 1 9 Daniel Capelluto . G.S. . 26574 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26574 _Assembly.ID 1 _Assembly.Name GAT _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 GAT 1 $GAT A . yes native no no . . . 26574 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GAT _Entity.Sf_category entity _Entity.Sf_framecode GAT _Entity.Entry_ID 26574 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name GAT _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLGSEQIGKLRSELEMVSG NVRVMSEMLTELVPTQAEPA DLELLQELNRTCRAMQQRVL ELIPQIANEQLTEELLIVND NLNNVFLRHERFERFRTGQT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 210 GLY . 26574 1 2 211 PRO . 26574 1 3 212 LEU . 26574 1 4 213 GLY . 26574 1 5 214 SER . 26574 1 6 215 GLU . 26574 1 7 216 GLN . 26574 1 8 217 ILE . 26574 1 9 218 GLY . 26574 1 10 219 LYS . 26574 1 11 220 LEU . 26574 1 12 221 ARG . 26574 1 13 222 SER . 26574 1 14 223 GLU . 26574 1 15 224 LEU . 26574 1 16 225 GLU . 26574 1 17 226 MET . 26574 1 18 227 VAL . 26574 1 19 228 SER . 26574 1 20 229 GLY . 26574 1 21 230 ASN . 26574 1 22 231 VAL . 26574 1 23 232 ARG . 26574 1 24 233 VAL . 26574 1 25 234 MET . 26574 1 26 235 SER . 26574 1 27 236 GLU . 26574 1 28 237 MET . 26574 1 29 238 LEU . 26574 1 30 239 THR . 26574 1 31 240 GLU . 26574 1 32 241 LEU . 26574 1 33 242 VAL . 26574 1 34 243 PRO . 26574 1 35 244 THR . 26574 1 36 245 GLN . 26574 1 37 246 ALA . 26574 1 38 247 GLU . 26574 1 39 248 PRO . 26574 1 40 249 ALA . 26574 1 41 250 ASP . 26574 1 42 251 LEU . 26574 1 43 252 GLU . 26574 1 44 253 LEU . 26574 1 45 254 LEU . 26574 1 46 255 GLN . 26574 1 47 256 GLU . 26574 1 48 257 LEU . 26574 1 49 258 ASN . 26574 1 50 259 ARG . 26574 1 51 260 THR . 26574 1 52 261 CYS . 26574 1 53 262 ARG . 26574 1 54 263 ALA . 26574 1 55 264 MET . 26574 1 56 265 GLN . 26574 1 57 266 GLN . 26574 1 58 267 ARG . 26574 1 59 268 VAL . 26574 1 60 269 LEU . 26574 1 61 270 GLU . 26574 1 62 271 LEU . 26574 1 63 272 ILE . 26574 1 64 273 PRO . 26574 1 65 274 GLN . 26574 1 66 275 ILE . 26574 1 67 276 ALA . 26574 1 68 277 ASN . 26574 1 69 278 GLU . 26574 1 70 279 GLN . 26574 1 71 280 LEU . 26574 1 72 281 THR . 26574 1 73 282 GLU . 26574 1 74 283 GLU . 26574 1 75 284 LEU . 26574 1 76 285 LEU . 26574 1 77 286 ILE . 26574 1 78 287 VAL . 26574 1 79 288 ASN . 26574 1 80 289 ASP . 26574 1 81 290 ASN . 26574 1 82 291 LEU . 26574 1 83 292 ASN . 26574 1 84 293 ASN . 26574 1 85 294 VAL . 26574 1 86 295 PHE . 26574 1 87 296 LEU . 26574 1 88 297 ARG . 26574 1 89 298 HIS . 26574 1 90 299 GLU . 26574 1 91 300 ARG . 26574 1 92 301 PHE . 26574 1 93 302 GLU . 26574 1 94 303 ARG . 26574 1 95 304 PHE . 26574 1 96 305 ARG . 26574 1 97 306 THR . 26574 1 98 307 GLY . 26574 1 99 308 GLN . 26574 1 100 309 THR . 26574 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 26574 1 . PRO 2 2 26574 1 . LEU 3 3 26574 1 . GLY 4 4 26574 1 . SER 5 5 26574 1 . GLU 6 6 26574 1 . GLN 7 7 26574 1 . ILE 8 8 26574 1 . GLY 9 9 26574 1 . LYS 10 10 26574 1 . LEU 11 11 26574 1 . ARG 12 12 26574 1 . SER 13 13 26574 1 . GLU 14 14 26574 1 . LEU 15 15 26574 1 . GLU 16 16 26574 1 . MET 17 17 26574 1 . VAL 18 18 26574 1 . SER 19 19 26574 1 . GLY 20 20 26574 1 . ASN 21 21 26574 1 . VAL 22 22 26574 1 . ARG 23 23 26574 1 . VAL 24 24 26574 1 . MET 25 25 26574 1 . SER 26 26 26574 1 . GLU 27 27 26574 1 . MET 28 28 26574 1 . LEU 29 29 26574 1 . THR 30 30 26574 1 . GLU 31 31 26574 1 . LEU 32 32 26574 1 . VAL 33 33 26574 1 . PRO 34 34 26574 1 . THR 35 35 26574 1 . GLN 36 36 26574 1 . ALA 37 37 26574 1 . GLU 38 38 26574 1 . PRO 39 39 26574 1 . ALA 40 40 26574 1 . ASP 41 41 26574 1 . LEU 42 42 26574 1 . GLU 43 43 26574 1 . LEU 44 44 26574 1 . LEU 45 45 26574 1 . GLN 46 46 26574 1 . GLU 47 47 26574 1 . LEU 48 48 26574 1 . ASN 49 49 26574 1 . ARG 50 50 26574 1 . THR 51 51 26574 1 . CYS 52 52 26574 1 . ARG 53 53 26574 1 . ALA 54 54 26574 1 . MET 55 55 26574 1 . GLN 56 56 26574 1 . GLN 57 57 26574 1 . ARG 58 58 26574 1 . VAL 59 59 26574 1 . LEU 60 60 26574 1 . GLU 61 61 26574 1 . LEU 62 62 26574 1 . ILE 63 63 26574 1 . PRO 64 64 26574 1 . GLN 65 65 26574 1 . ILE 66 66 26574 1 . ALA 67 67 26574 1 . ASN 68 68 26574 1 . GLU 69 69 26574 1 . GLN 70 70 26574 1 . LEU 71 71 26574 1 . THR 72 72 26574 1 . GLU 73 73 26574 1 . GLU 74 74 26574 1 . LEU 75 75 26574 1 . LEU 76 76 26574 1 . ILE 77 77 26574 1 . VAL 78 78 26574 1 . ASN 79 79 26574 1 . ASP 80 80 26574 1 . ASN 81 81 26574 1 . LEU 82 82 26574 1 . ASN 83 83 26574 1 . ASN 84 84 26574 1 . VAL 85 85 26574 1 . PHE 86 86 26574 1 . LEU 87 87 26574 1 . ARG 88 88 26574 1 . HIS 89 89 26574 1 . GLU 90 90 26574 1 . ARG 91 91 26574 1 . PHE 92 92 26574 1 . GLU 93 93 26574 1 . ARG 94 94 26574 1 . PHE 95 95 26574 1 . ARG 96 96 26574 1 . THR 97 97 26574 1 . GLY 98 98 26574 1 . GLN 99 99 26574 1 . THR 100 100 26574 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 26574 _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 $GAT . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 26574 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 26574 _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 $GAT . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . PGEX-6P-1 . . . 26574 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26574 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 GAT '[U-99% 13C; U-99% 15N]' . . 1 $GAT . . 1.0 . . mM . . . . 26574 1 2 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 26574 1 3 TRIS [U-2H] . . . . . . 20 . . mM . . . . 26574 1 4 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 26574 1 5 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 26574 1 6 DTT [U-2H] . . . . . . 1 . . mM . . . . 26574 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 26574 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 70 . mM 26574 1 pH 7.0 . pH 26574 1 pressure 1 . atm 26574 1 temperature 298 . K 26574 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26574 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26574 1 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26574 1 Goddard . . 26574 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26574 1 'data analysis' 26574 1 processing 26574 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26574 _NMR_spectrometer.ID 1 _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 26574 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 26574 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 26574 _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 . . . . . . . . . . . . . . . . 26574 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26574 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26574 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26574 1 5 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26574 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26574 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 26574 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 26574 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 26574 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 26574 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26574 1 2 '3D HNCO' . . . 26574 1 3 '3D HNCACB' . . . 26574 1 4 '3D CBCA(CO)NH' . . . 26574 1 5 '3D HCACO' . . . 26574 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 GLU C C 13 175.987 0.000 . . . . . . 215 E CO . 26574 1 2 . 1 1 6 6 GLU CB C 13 26.328 0.000 . . . . . . 215 E CB . 26574 1 3 . 1 1 7 7 GLN H H 1 7.994 0.003 . . . . . . 216 Q HN . 26574 1 4 . 1 1 7 7 GLN C C 13 175.935 0.022 . . . . . . 216 Q CO . 26574 1 5 . 1 1 7 7 GLN CA C 13 55.925 0.005 . . . . . . 216 Q CA . 26574 1 6 . 1 1 7 7 GLN CB C 13 26.169 0.015 . . . . . . 216 Q CB . 26574 1 7 . 1 1 7 7 GLN N N 15 119.442 0.090 . . . . . . 216 Q N . 26574 1 8 . 1 1 8 8 ILE H H 1 8.240 0.003 . . . . . . 217 I HN . 26574 1 9 . 1 1 8 8 ILE C C 13 175.024 0.019 . . . . . . 217 I CO . 26574 1 10 . 1 1 8 8 ILE CA C 13 62.090 0.055 . . . . . . 217 I CA . 26574 1 11 . 1 1 8 8 ILE CB C 13 34.788 0.133 . . . . . . 217 I CB . 26574 1 12 . 1 1 8 8 ILE N N 15 120.874 0.054 . . . . . . 217 I N . 26574 1 13 . 1 1 9 9 GLY H H 1 8.252 0.002 . . . . . . 218 G HN . 26574 1 14 . 1 1 9 9 GLY C C 13 174.173 0.005 . . . . . . 218 G CO . 26574 1 15 . 1 1 9 9 GLY CA C 13 44.655 0.064 . . . . . . 218 G CA . 26574 1 16 . 1 1 9 9 GLY N N 15 107.490 0.042 . . . . . . 218 G N . 26574 1 17 . 1 1 10 10 LYS H H 1 7.771 0.003 . . . . . . 219 K HN . 26574 1 18 . 1 1 10 10 LYS C C 13 176.594 0.002 . . . . . . 219 K CO . 26574 1 19 . 1 1 10 10 LYS CA C 13 56.316 0.051 . . . . . . 219 K CA . 26574 1 20 . 1 1 10 10 LYS CB C 13 29.650 0.081 . . . . . . 219 K CB . 26574 1 21 . 1 1 10 10 LYS N N 15 122.271 0.064 . . . . . . 219 K N . 26574 1 22 . 1 1 11 11 LEU H H 1 7.998 0.002 . . . . . . 220 L HN . 26574 1 23 . 1 1 11 11 LEU C C 13 176.346 0.019 . . . . . . 220 L CO . 26574 1 24 . 1 1 11 11 LEU CA C 13 55.098 0.030 . . . . . . 220 L CA . 26574 1 25 . 1 1 11 11 LEU CB C 13 39.212 0.073 . . . . . . 220 L CB . 26574 1 26 . 1 1 11 11 LEU N N 15 121.530 0.036 . . . . . . 220 L N . 26574 1 27 . 1 1 12 12 ARG H H 1 8.700 0.003 . . . . . . 221 R HN . 26574 1 28 . 1 1 12 12 ARG C C 13 176.796 0.038 . . . . . . 221 R CO . 26574 1 29 . 1 1 12 12 ARG CA C 13 58.320 0.095 . . . . . . 221 R CA . 26574 1 30 . 1 1 12 12 ARG CB C 13 26.574 0.145 . . . . . . 221 R CB . 26574 1 31 . 1 1 12 12 ARG N N 15 118.545 0.039 . . . . . . 221 R N . 26574 1 32 . 1 1 13 13 SER H H 1 8.013 0.003 . . . . . . 222 S HN . 26574 1 33 . 1 1 13 13 SER C C 13 174.580 0.000 . . . . . . 222 S CO . 26574 1 34 . 1 1 13 13 SER CA C 13 59.936 0.000 . . . . . . 222 S CA . 26574 1 35 . 1 1 13 13 SER N N 15 115.425 0.011 . . . . . . 222 S N . 26574 1 36 . 1 1 14 14 GLU H H 1 8.021 0.004 . . . . . . 223 E HN . 26574 1 37 . 1 1 14 14 GLU C C 13 176.775 0.014 . . . . . . 223 E CO . 26574 1 38 . 1 1 14 14 GLU CA C 13 57.328 0.021 . . . . . . 223 E CA . 26574 1 39 . 1 1 14 14 GLU CB C 13 26.807 0.035 . . . . . . 223 E CB . 26574 1 40 . 1 1 14 14 GLU N N 15 124.209 0.025 . . . . . . 223 E N . 26574 1 41 . 1 1 15 15 LEU H H 1 8.602 0.003 . . . . . . 224 L HN . 26574 1 42 . 1 1 15 15 LEU C C 13 176.841 0.050 . . . . . . 224 L CO . 26574 1 43 . 1 1 15 15 LEU CA C 13 55.252 0.042 . . . . . . 224 L CA . 26574 1 44 . 1 1 15 15 LEU CB C 13 38.215 0.051 . . . . . . 224 L CB . 26574 1 45 . 1 1 15 15 LEU N N 15 119.415 0.049 . . . . . . 224 L N . 26574 1 46 . 1 1 16 16 GLU H H 1 8.165 0.002 . . . . . . 225 E HN . 26574 1 47 . 1 1 16 16 GLU C C 13 177.114 0.024 . . . . . . 225 E CO . 26574 1 48 . 1 1 16 16 GLU CA C 13 56.876 0.061 . . . . . . 225 E CA . 26574 1 49 . 1 1 16 16 GLU CB C 13 26.786 0.070 . . . . . . 225 E CB . 26574 1 50 . 1 1 16 16 GLU N N 15 120.936 0.026 . . . . . . 225 E N . 26574 1 51 . 1 1 17 17 MET H H 1 7.724 0.003 . . . . . . 226 M HN . 26574 1 52 . 1 1 17 17 MET C C 13 176.975 0.002 . . . . . . 226 M CO . 26574 1 53 . 1 1 17 17 MET CA C 13 55.879 0.010 . . . . . . 226 M CA . 26574 1 54 . 1 1 17 17 MET CB C 13 29.121 0.000 . . . . . . 226 M CB . 26574 1 55 . 1 1 17 17 MET N N 15 120.569 0.028 . . . . . . 226 M N . 26574 1 56 . 1 1 18 18 VAL H H 1 8.347 0.004 . . . . . . 227 V HN . 26574 1 57 . 1 1 18 18 VAL C C 13 175.474 0.000 . . . . . . 227 V CO . 26574 1 58 . 1 1 18 18 VAL CA C 13 63.367 0.000 . . . . . . 227 V CA . 26574 1 59 . 1 1 18 18 VAL CB C 13 28.937 0.000 . . . . . . 227 V CB . 26574 1 60 . 1 1 18 18 VAL N N 15 121.625 0.045 . . . . . . 227 V N . 26574 1 61 . 1 1 19 19 SER H H 1 8.680 0.001 . . . . . . 228 S HN . 26574 1 62 . 1 1 19 19 SER C C 13 174.734 0.000 . . . . . . 228 S CO . 26574 1 63 . 1 1 19 19 SER CA C 13 59.782 0.051 . . . . . . 228 S CA . 26574 1 64 . 1 1 19 19 SER N N 15 116.087 0.036 . . . . . . 228 S N . 26574 1 65 . 1 1 20 20 GLY H H 1 8.226 0.003 . . . . . . 229 G HN . 26574 1 66 . 1 1 20 20 GLY C C 13 172.918 0.022 . . . . . . 229 G CO . 26574 1 67 . 1 1 20 20 GLY CA C 13 44.724 0.071 . . . . . . 229 G CA . 26574 1 68 . 1 1 20 20 GLY N N 15 109.868 0.034 . . . . . . 229 G N . 26574 1 69 . 1 1 21 21 ASN H H 1 7.692 0.004 . . . . . . 230 N HN . 26574 1 70 . 1 1 21 21 ASN C C 13 174.433 0.006 . . . . . . 230 N CO . 26574 1 71 . 1 1 21 21 ASN CA C 13 53.922 0.159 . . . . . . 230 N CA . 26574 1 72 . 1 1 21 21 ASN CB C 13 36.685 0.034 . . . . . . 230 N CB . 26574 1 73 . 1 1 21 21 ASN N N 15 121.657 0.043 . . . . . . 230 N N . 26574 1 74 . 1 1 22 22 VAL H H 1 8.388 0.004 . . . . . . 231 V HN . 26574 1 75 . 1 1 22 22 VAL C C 13 175.188 0.012 . . . . . . 231 V CO . 26574 1 76 . 1 1 22 22 VAL CA C 13 64.086 0.041 . . . . . . 231 V CA . 26574 1 77 . 1 1 22 22 VAL CB C 13 28.710 0.041 . . . . . . 231 V CB . 26574 1 78 . 1 1 22 22 VAL N N 15 119.928 0.063 . . . . . . 231 V N . 26574 1 79 . 1 1 23 23 ARG H H 1 7.973 0.003 . . . . . . 232 R HN . 26574 1 80 . 1 1 23 23 ARG C C 13 175.910 0.026 . . . . . . 232 R CO . 26574 1 81 . 1 1 23 23 ARG CA C 13 57.328 0.021 . . . . . . 232 R CA . 26574 1 82 . 1 1 23 23 ARG CB C 13 26.985 0.062 . . . . . . 232 R CB . 26574 1 83 . 1 1 23 23 ARG N N 15 120.765 0.058 . . . . . . 232 R N . 26574 1 84 . 1 1 24 24 VAL H H 1 7.749 0.005 . . . . . . 233 V HN . 26574 1 85 . 1 1 24 24 VAL C C 13 175.966 0.032 . . . . . . 233 V CO . 26574 1 86 . 1 1 24 24 VAL CA C 13 64.134 0.151 . . . . . . 233 V CA . 26574 1 87 . 1 1 24 24 VAL CB C 13 28.662 0.049 . . . . . . 233 V CB . 26574 1 88 . 1 1 24 24 VAL N N 15 119.188 0.023 . . . . . . 233 V N . 26574 1 89 . 1 1 25 25 MET H H 1 8.129 0.004 . . . . . . 234 M HN . 26574 1 90 . 1 1 25 25 MET C C 13 174.680 0.006 . . . . . . 234 M CO . 26574 1 91 . 1 1 25 25 MET CA C 13 57.641 0.046 . . . . . . 234 M CA . 26574 1 92 . 1 1 25 25 MET CB C 13 30.184 0.006 . . . . . . 234 M CB . 26574 1 93 . 1 1 25 25 MET N N 15 119.433 0.054 . . . . . . 234 M N . 26574 1 94 . 1 1 26 26 SER H H 1 8.797 0.006 . . . . . . 235 S HN . 26574 1 95 . 1 1 26 26 SER C C 13 174.695 0.039 . . . . . . 235 S CO . 26574 1 96 . 1 1 26 26 SER CA C 13 59.022 0.067 . . . . . . 235 S CA . 26574 1 97 . 1 1 26 26 SER CB C 13 60.426 0.081 . . . . . . 235 S CB . 26574 1 98 . 1 1 26 26 SER N N 15 112.490 0.028 . . . . . . 235 S N . 26574 1 99 . 1 1 27 27 GLU H H 1 8.426 0.004 . . . . . . 236 E HN . 26574 1 100 . 1 1 27 27 GLU C C 13 176.882 0.012 . . . . . . 236 E CO . 26574 1 101 . 1 1 27 27 GLU CA C 13 56.999 0.041 . . . . . . 236 E CA . 26574 1 102 . 1 1 27 27 GLU CB C 13 26.645 0.134 . . . . . . 236 E CB . 26574 1 103 . 1 1 27 27 GLU N N 15 121.213 0.047 . . . . . . 236 E N . 26574 1 104 . 1 1 28 28 MET H H 1 8.192 0.002 . . . . . . 237 M HN . 26574 1 105 . 1 1 28 28 MET C C 13 175.168 0.001 . . . . . . 237 M CO . 26574 1 106 . 1 1 28 28 MET CA C 13 57.296 0.022 . . . . . . 237 M CA . 26574 1 107 . 1 1 28 28 MET CB C 13 30.780 0.005 . . . . . . 237 M CB . 26574 1 108 . 1 1 28 28 MET N N 15 119.780 0.031 . . . . . . 237 M N . 26574 1 109 . 1 1 29 29 LEU H H 1 8.060 0.002 . . . . . . 238 L HN . 26574 1 110 . 1 1 29 29 LEU C C 13 175.712 0.019 . . . . . . 238 L CO . 26574 1 111 . 1 1 29 29 LEU CA C 13 54.475 0.057 . . . . . . 238 L CA . 26574 1 112 . 1 1 29 29 LEU CB C 13 39.216 0.030 . . . . . . 238 L CB . 26574 1 113 . 1 1 29 29 LEU N N 15 115.575 0.024 . . . . . . 238 L N . 26574 1 114 . 1 1 30 30 THR H H 1 7.746 0.003 . . . . . . 239 T HN . 26574 1 115 . 1 1 30 30 THR C C 13 172.383 0.002 . . . . . . 239 T CO . 26574 1 116 . 1 1 30 30 THR CA C 13 62.674 0.118 . . . . . . 239 T CA . 26574 1 117 . 1 1 30 30 THR CB C 13 66.669 0.025 . . . . . . 239 T CB . 26574 1 118 . 1 1 30 30 THR N N 15 115.128 0.020 . . . . . . 239 T N . 26574 1 119 . 1 1 31 31 GLU H H 1 7.837 0.004 . . . . . . 240 E HN . 26574 1 120 . 1 1 31 31 GLU C C 13 175.021 0.011 . . . . . . 240 E CO . 26574 1 121 . 1 1 31 31 GLU CA C 13 55.222 0.072 . . . . . . 240 E CA . 26574 1 122 . 1 1 31 31 GLU CB C 13 28.642 0.010 . . . . . . 240 E CB . 26574 1 123 . 1 1 31 31 GLU N N 15 120.144 0.030 . . . . . . 240 E N . 26574 1 124 . 1 1 32 32 LEU H H 1 8.129 0.003 . . . . . . 241 L HN . 26574 1 125 . 1 1 32 32 LEU C C 13 173.793 0.028 . . . . . . 241 L CO . 26574 1 126 . 1 1 32 32 LEU CA C 13 52.376 0.084 . . . . . . 241 L CA . 26574 1 127 . 1 1 32 32 LEU CB C 13 40.893 0.058 . . . . . . 241 L CB . 26574 1 128 . 1 1 32 32 LEU N N 15 119.284 0.028 . . . . . . 241 L N . 26574 1 129 . 1 1 33 33 VAL H H 1 8.665 0.005 . . . . . . 242 V HN . 26574 1 130 . 1 1 33 33 VAL C C 13 174.501 0.000 . . . . . . 242 V CO . 26574 1 131 . 1 1 33 33 VAL CA C 13 57.327 0.000 . . . . . . 242 V CA . 26574 1 132 . 1 1 33 33 VAL CB C 13 29.923 0.000 . . . . . . 242 V CB . 26574 1 133 . 1 1 33 33 VAL N N 15 125.498 0.048 . . . . . . 242 V N . 26574 1 134 . 1 1 34 34 PRO C C 13 174.683 0.000 . . . . . . 243 P CO . 26574 1 135 . 1 1 34 34 PRO CA C 13 63.614 0.000 . . . . . . 243 P CA . 26574 1 136 . 1 1 34 34 PRO CB C 13 29.245 0.000 . . . . . . 243 P CB . 26574 1 137 . 1 1 35 35 THR H H 1 7.034 0.003 . . . . . . 244 T HN . 26574 1 138 . 1 1 35 35 THR C C 13 172.177 0.000 . . . . . . 244 T CO . 26574 1 139 . 1 1 35 35 THR CA C 13 59.921 0.118 . . . . . . 244 T CA . 26574 1 140 . 1 1 35 35 THR CB C 13 66.089 0.059 . . . . . . 244 T CB . 26574 1 141 . 1 1 35 35 THR N N 15 101.259 0.037 . . . . . . 244 T N . 26574 1 142 . 1 1 36 36 GLN H H 1 7.761 0.006 . . . . . . 245 Q HN . 26574 1 143 . 1 1 36 36 GLN C C 13 172.768 0.018 . . . . . . 245 Q CO . 26574 1 144 . 1 1 36 36 GLN CA C 13 52.058 0.022 . . . . . . 245 Q CA . 26574 1 145 . 1 1 36 36 GLN CB C 13 27.755 0.097 . . . . . . 245 Q CB . 26574 1 146 . 1 1 36 36 GLN N N 15 118.953 0.029 . . . . . . 245 Q N . 26574 1 147 . 1 1 37 37 ALA H H 1 7.410 0.003 . . . . . . 246 A HN . 26574 1 148 . 1 1 37 37 ALA C C 13 174.241 0.008 . . . . . . 246 A CO . 26574 1 149 . 1 1 37 37 ALA CA C 13 50.024 0.075 . . . . . . 246 A CA . 26574 1 150 . 1 1 37 37 ALA CB C 13 16.788 0.034 . . . . . . 246 A CB . 26574 1 151 . 1 1 37 37 ALA N N 15 123.787 0.045 . . . . . . 246 A N . 26574 1 152 . 1 1 38 38 GLU H H 1 9.534 0.005 . . . . . . 247 E HN . 26574 1 153 . 1 1 38 38 GLU C C 13 173.325 0.000 . . . . . . 247 E CO . 26574 1 154 . 1 1 38 38 GLU CA C 13 52.130 0.000 . . . . . . 247 E CA . 26574 1 155 . 1 1 38 38 GLU CB C 13 26.430 0.000 . . . . . . 247 E CB . 26574 1 156 . 1 1 38 38 GLU N N 15 124.491 0.042 . . . . . . 247 E N . 26574 1 157 . 1 1 39 39 PRO CA C 13 64.112 0.097 . . . . . . 248 P CA . 26574 1 158 . 1 1 39 39 PRO CB C 13 29.188 0.026 . . . . . . 248 P CB . 26574 1 159 . 1 1 40 40 ALA H H 1 8.820 0.004 . . . . . . 249 A HN . 26574 1 160 . 1 1 40 40 ALA C C 13 178.300 0.025 . . . . . . 249 A CO . 26574 1 161 . 1 1 40 40 ALA CA C 13 52.811 0.056 . . . . . . 249 A CA . 26574 1 162 . 1 1 40 40 ALA CB C 13 15.861 0.030 . . . . . . 249 A CB . 26574 1 163 . 1 1 40 40 ALA N N 15 117.976 0.015 . . . . . . 249 A N . 26574 1 164 . 1 1 41 41 ASP H H 1 7.312 0.003 . . . . . . 250 D HN . 26574 1 165 . 1 1 41 41 ASP C C 13 175.470 0.014 . . . . . . 250 D CO . 26574 1 166 . 1 1 41 41 ASP CA C 13 54.549 0.005 . . . . . . 250 D CA . 26574 1 167 . 1 1 41 41 ASP CB C 13 38.876 0.054 . . . . . . 250 D CB . 26574 1 168 . 1 1 41 41 ASP N N 15 117.864 0.024 . . . . . . 250 D N . 26574 1 169 . 1 1 42 42 LEU H H 1 7.825 0.005 . . . . . . 251 L HN . 26574 1 170 . 1 1 42 42 LEU C C 13 177.342 0.019 . . . . . . 251 L CO . 26574 1 171 . 1 1 42 42 LEU CA C 13 54.859 0.027 . . . . . . 251 L CA . 26574 1 172 . 1 1 42 42 LEU CB C 13 38.104 0.036 . . . . . . 251 L CB . 26574 1 173 . 1 1 42 42 LEU N N 15 118.971 0.046 . . . . . . 251 L N . 26574 1 174 . 1 1 43 43 GLU H H 1 8.411 0.004 . . . . . . 252 E HN . 26574 1 175 . 1 1 43 43 GLU C C 13 176.502 0.008 . . . . . . 252 E CO . 26574 1 176 . 1 1 43 43 GLU CA C 13 56.653 0.087 . . . . . . 252 E CA . 26574 1 177 . 1 1 43 43 GLU CB C 13 26.728 0.042 . . . . . . 252 E CB . 26574 1 178 . 1 1 43 43 GLU N N 15 119.988 0.023 . . . . . . 252 E N . 26574 1 179 . 1 1 44 44 LEU H H 1 7.564 0.004 . . . . . . 253 L HN . 26574 1 180 . 1 1 44 44 LEU C C 13 176.344 0.006 . . . . . . 253 L CO . 26574 1 181 . 1 1 44 44 LEU CA C 13 55.463 0.036 . . . . . . 253 L CA . 26574 1 182 . 1 1 44 44 LEU CB C 13 38.812 0.026 . . . . . . 253 L CB . 26574 1 183 . 1 1 44 44 LEU N N 15 121.652 0.033 . . . . . . 253 L N . 26574 1 184 . 1 1 45 45 LEU H H 1 8.189 0.004 . . . . . . 254 L HN . 26574 1 185 . 1 1 45 45 LEU C C 13 176.179 0.027 . . . . . . 254 L CO . 26574 1 186 . 1 1 45 45 LEU CA C 13 55.755 0.052 . . . . . . 254 L CA . 26574 1 187 . 1 1 45 45 LEU CB C 13 39.428 0.051 . . . . . . 254 L CB . 26574 1 188 . 1 1 45 45 LEU N N 15 119.399 0.025 . . . . . . 254 L N . 26574 1 189 . 1 1 46 46 GLN H H 1 8.183 0.004 . . . . . . 255 Q HN . 26574 1 190 . 1 1 46 46 GLN C C 13 176.312 0.025 . . . . . . 255 Q CO . 26574 1 191 . 1 1 46 46 GLN CA C 13 56.084 0.010 . . . . . . 255 Q CA . 26574 1 192 . 1 1 46 46 GLN CB C 13 25.405 0.058 . . . . . . 255 Q CB . 26574 1 193 . 1 1 46 46 GLN N N 15 117.404 0.031 . . . . . . 255 Q N . 26574 1 194 . 1 1 47 47 GLU H H 1 8.104 0.003 . . . . . . 256 E HN . 26574 1 195 . 1 1 47 47 GLU C C 13 176.851 0.002 . . . . . . 256 E CO . 26574 1 196 . 1 1 47 47 GLU CA C 13 56.382 0.044 . . . . . . 256 E CA . 26574 1 197 . 1 1 47 47 GLU CB C 13 26.499 0.079 . . . . . . 256 E CB . 26574 1 198 . 1 1 47 47 GLU N N 15 122.146 0.039 . . . . . . 256 E N . 26574 1 199 . 1 1 48 48 LEU H H 1 8.758 0.003 . . . . . . 257 L HN . 26574 1 200 . 1 1 48 48 LEU C C 13 176.521 0.000 . . . . . . 257 L CO . 26574 1 201 . 1 1 48 48 LEU CA C 13 55.422 0.015 . . . . . . 257 L CA . 26574 1 202 . 1 1 48 48 LEU CB C 13 39.130 0.056 . . . . . . 257 L CB . 26574 1 203 . 1 1 48 48 LEU N N 15 122.164 0.065 . . . . . . 257 L N . 26574 1 204 . 1 1 49 49 ASN H H 1 8.688 0.004 . . . . . . 258 N HN . 26574 1 205 . 1 1 49 49 ASN C C 13 173.798 0.024 . . . . . . 258 N CO . 26574 1 206 . 1 1 49 49 ASN CA C 13 55.589 0.038 . . . . . . 258 N CA . 26574 1 207 . 1 1 49 49 ASN CB C 13 36.283 0.020 . . . . . . 258 N CB . 26574 1 208 . 1 1 49 49 ASN N N 15 119.326 0.044 . . . . . . 258 N N . 26574 1 209 . 1 1 50 50 ARG H H 1 8.170 0.003 . . . . . . 259 R HN . 26574 1 210 . 1 1 50 50 ARG C C 13 177.668 0.024 . . . . . . 259 R CO . 26574 1 211 . 1 1 50 50 ARG CA C 13 57.652 0.032 . . . . . . 259 R CA . 26574 1 212 . 1 1 50 50 ARG CB C 13 27.612 0.015 . . . . . . 259 R CB . 26574 1 213 . 1 1 50 50 ARG N N 15 118.009 0.029 . . . . . . 259 R N . 26574 1 214 . 1 1 51 51 THR H H 1 8.645 0.003 . . . . . . 260 T HN . 26574 1 215 . 1 1 51 51 THR C C 13 174.652 0.000 . . . . . . 260 T CO . 26574 1 216 . 1 1 51 51 THR CA C 13 64.030 0.077 . . . . . . 260 T CA . 26574 1 217 . 1 1 51 51 THR CB C 13 66.186 0.006 . . . . . . 260 T CB . 26574 1 218 . 1 1 51 51 THR N N 15 117.595 0.044 . . . . . . 260 T N . 26574 1 219 . 1 1 52 52 CYS H H 1 9.006 0.004 . . . . . . 261 C HN . 26574 1 220 . 1 1 52 52 CYS C C 13 174.685 0.029 . . . . . . 261 C CO . 26574 1 221 . 1 1 52 52 CYS CA C 13 62.828 0.067 . . . . . . 261 C CA . 26574 1 222 . 1 1 52 52 CYS CB C 13 24.104 0.108 . . . . . . 261 C CB . 26574 1 223 . 1 1 52 52 CYS N N 15 120.803 0.025 . . . . . . 261 C N . 26574 1 224 . 1 1 53 53 ARG H H 1 9.063 0.005 . . . . . . 262 R HN . 26574 1 225 . 1 1 53 53 ARG C C 13 176.743 0.014 . . . . . . 262 R CO . 26574 1 226 . 1 1 53 53 ARG CA C 13 56.577 0.095 . . . . . . 262 R CA . 26574 1 227 . 1 1 53 53 ARG CB C 13 26.660 0.076 . . . . . . 262 R CB . 26574 1 228 . 1 1 53 53 ARG N N 15 122.263 0.055 . . . . . . 262 R N . 26574 1 229 . 1 1 54 54 ALA H H 1 7.757 0.004 . . . . . . 263 A HN . 26574 1 230 . 1 1 54 54 ALA C C 13 178.752 0.009 . . . . . . 263 A CO . 26574 1 231 . 1 1 54 54 ALA CA C 13 52.661 0.049 . . . . . . 263 A CA . 26574 1 232 . 1 1 54 54 ALA CB C 13 14.900 0.005 . . . . . . 263 A CB . 26574 1 233 . 1 1 54 54 ALA N N 15 123.223 0.026 . . . . . . 263 A N . 26574 1 234 . 1 1 55 55 MET H H 1 8.322 0.002 . . . . . . 264 M HN . 26574 1 235 . 1 1 55 55 MET C C 13 175.496 0.022 . . . . . . 264 M CO . 26574 1 236 . 1 1 55 55 MET CA C 13 55.756 0.000 . . . . . . 264 M CA . 26574 1 237 . 1 1 55 55 MET CB C 13 29.270 0.016 . . . . . . 264 M CB . 26574 1 238 . 1 1 55 55 MET N N 15 118.949 0.019 . . . . . . 264 M N . 26574 1 239 . 1 1 56 56 GLN H H 1 8.770 0.003 . . . . . . 265 Q HN . 26574 1 240 . 1 1 56 56 GLN C C 13 174.233 0.008 . . . . . . 265 Q CO . 26574 1 241 . 1 1 56 56 GLN CA C 13 57.084 0.087 . . . . . . 265 Q CA . 26574 1 242 . 1 1 56 56 GLN CB C 13 25.991 0.097 . . . . . . 265 Q CB . 26574 1 243 . 1 1 56 56 GLN N N 15 119.930 0.054 . . . . . . 265 Q N . 26574 1 244 . 1 1 57 57 GLN H H 1 7.617 0.004 . . . . . . 266 Q HN . 26574 1 245 . 1 1 57 57 GLN C C 13 175.495 0.002 . . . . . . 266 Q CO . 26574 1 246 . 1 1 57 57 GLN CA C 13 56.428 0.005 . . . . . . 266 Q CA . 26574 1 247 . 1 1 57 57 GLN CB C 13 25.297 0.041 . . . . . . 266 Q CB . 26574 1 248 . 1 1 57 57 GLN N N 15 116.626 0.064 . . . . . . 266 Q N . 26574 1 249 . 1 1 58 58 ARG H H 1 7.296 0.003 . . . . . . 267 R HN . 26574 1 250 . 1 1 58 58 ARG C C 13 175.490 0.038 . . . . . . 267 R CO . 26574 1 251 . 1 1 58 58 ARG CA C 13 56.090 0.087 . . . . . . 267 R CA . 26574 1 252 . 1 1 58 58 ARG CB C 13 27.032 0.015 . . . . . . 267 R CB . 26574 1 253 . 1 1 58 58 ARG N N 15 119.066 0.040 . . . . . . 267 R N . 26574 1 254 . 1 1 59 59 VAL H H 1 8.326 0.005 . . . . . . 268 V HN . 26574 1 255 . 1 1 59 59 VAL C C 13 174.900 0.019 . . . . . . 268 V CO . 26574 1 256 . 1 1 59 59 VAL CA C 13 64.779 0.046 . . . . . . 268 V CA . 26574 1 257 . 1 1 59 59 VAL CB C 13 29.003 0.036 . . . . . . 268 V CB . 26574 1 258 . 1 1 59 59 VAL N N 15 119.424 0.060 . . . . . . 268 V N . 26574 1 259 . 1 1 60 60 LEU H H 1 8.404 0.003 . . . . . . 269 L HN . 26574 1 260 . 1 1 60 60 LEU C C 13 177.509 0.009 . . . . . . 269 L CO . 26574 1 261 . 1 1 60 60 LEU CA C 13 55.186 0.128 . . . . . . 269 L CA . 26574 1 262 . 1 1 60 60 LEU CB C 13 38.895 0.046 . . . . . . 269 L CB . 26574 1 263 . 1 1 60 60 LEU N N 15 117.138 0.036 . . . . . . 269 L N . 26574 1 264 . 1 1 61 61 GLU H H 1 7.721 0.004 . . . . . . 270 E HN . 26574 1 265 . 1 1 61 61 GLU C C 13 176.145 0.005 . . . . . . 270 E CO . 26574 1 266 . 1 1 61 61 GLU CA C 13 55.561 0.017 . . . . . . 270 E CA . 26574 1 267 . 1 1 61 61 GLU CB C 13 27.088 0.084 . . . . . . 270 E CB . 26574 1 268 . 1 1 61 61 GLU N N 15 118.156 0.049 . . . . . . 270 E N . 26574 1 269 . 1 1 62 62 LEU H H 1 7.856 0.003 . . . . . . 271 L HN . 26574 1 270 . 1 1 62 62 LEU C C 13 176.007 0.011 . . . . . . 271 L CO . 26574 1 271 . 1 1 62 62 LEU CA C 13 54.373 0.070 . . . . . . 271 L CA . 26574 1 272 . 1 1 62 62 LEU CB C 13 41.150 0.020 . . . . . . 271 L CB . 26574 1 273 . 1 1 62 62 LEU N N 15 119.743 0.066 . . . . . . 271 L N . 26574 1 274 . 1 1 63 63 ILE H H 1 7.676 0.003 . . . . . . 272 I HN . 26574 1 275 . 1 1 63 63 ILE C C 13 172.745 0.000 . . . . . . 272 I CO . 26574 1 276 . 1 1 63 63 ILE CA C 13 65.791 0.000 . . . . . . 272 I CA . 26574 1 277 . 1 1 63 63 ILE CB C 13 34.072 0.000 . . . . . . 272 I CB . 26574 1 278 . 1 1 63 63 ILE N N 15 118.101 0.029 . . . . . . 272 I N . 26574 1 279 . 1 1 64 64 PRO C C 13 174.823 0.037 . . . . . . 273 P CO . 26574 1 280 . 1 1 64 64 PRO CA C 13 62.052 0.021 . . . . . . 273 P CA . 26574 1 281 . 1 1 64 64 PRO CB C 13 28.793 0.000 . . . . . . 273 P CB . 26574 1 282 . 1 1 65 65 GLN H H 1 7.720 0.002 . . . . . . 274 Q HN . 26574 1 283 . 1 1 65 65 GLN C C 13 173.497 0.006 . . . . . . 274 Q CO . 26574 1 284 . 1 1 65 65 GLN CA C 13 53.460 0.046 . . . . . . 274 Q CA . 26574 1 285 . 1 1 65 65 GLN CB C 13 27.668 0.057 . . . . . . 274 Q CB . 26574 1 286 . 1 1 65 65 GLN N N 15 114.279 0.030 . . . . . . 274 Q N . 26574 1 287 . 1 1 66 66 ILE H H 1 7.431 0.004 . . . . . . 275 I HN . 26574 1 288 . 1 1 66 66 ILE C C 13 172.139 0.000 . . . . . . 275 I CO . 26574 1 289 . 1 1 66 66 ILE CA C 13 57.615 0.000 . . . . . . 275 I CA . 26574 1 290 . 1 1 66 66 ILE CB C 13 35.551 0.000 . . . . . . 275 I CB . 26574 1 291 . 1 1 66 66 ILE N N 15 119.498 0.058 . . . . . . 275 I N . 26574 1 292 . 1 1 69 69 GLU C C 13 175.376 0.000 . . . . . . 278 E CO . 26574 1 293 . 1 1 69 69 GLU CA C 13 57.184 0.000 . . . . . . 278 E CA . 26574 1 294 . 1 1 69 69 GLU CB C 13 26.574 0.000 . . . . . . 278 E CB . 26574 1 295 . 1 1 70 70 GLN H H 1 8.168 0.010 . . . . . . 279 Q HN . 26574 1 296 . 1 1 70 70 GLN C C 13 175.825 0.001 . . . . . . 279 Q CO . 26574 1 297 . 1 1 70 70 GLN CA C 13 56.629 0.000 . . . . . . 279 Q CA . 26574 1 298 . 1 1 70 70 GLN CB C 13 25.362 0.000 . . . . . . 279 Q CB . 26574 1 299 . 1 1 70 70 GLN N N 15 119.960 0.053 . . . . . . 279 Q N . 26574 1 300 . 1 1 71 71 LEU H H 1 8.319 0.003 . . . . . . 280 L HN . 26574 1 301 . 1 1 71 71 LEU C C 13 175.825 0.019 . . . . . . 280 L CO . 26574 1 302 . 1 1 71 71 LEU CA C 13 54.323 0.015 . . . . . . 280 L CA . 26574 1 303 . 1 1 71 71 LEU CB C 13 39.337 0.047 . . . . . . 280 L CB . 26574 1 304 . 1 1 71 71 LEU N N 15 120.096 0.045 . . . . . . 280 L N . 26574 1 305 . 1 1 72 72 THR H H 1 8.223 0.001 . . . . . . 281 T HN . 26574 1 306 . 1 1 72 72 THR C C 13 172.926 0.000 . . . . . . 281 T CO . 26574 1 307 . 1 1 72 72 THR CA C 13 65.725 0.057 . . . . . . 281 T CA . 26574 1 308 . 1 1 72 72 THR N N 15 115.980 0.041 . . . . . . 281 T N . 26574 1 309 . 1 1 73 73 GLU H H 1 7.688 0.002 . . . . . . 282 E HN . 26574 1 310 . 1 1 73 73 GLU C C 13 176.231 0.004 . . . . . . 282 E CO . 26574 1 311 . 1 1 73 73 GLU CA C 13 57.286 0.031 . . . . . . 282 E CA . 26574 1 312 . 1 1 73 73 GLU CB C 13 26.739 0.092 . . . . . . 282 E CB . 26574 1 313 . 1 1 73 73 GLU N N 15 119.682 0.048 . . . . . . 282 E N . 26574 1 314 . 1 1 74 74 GLU H H 1 7.750 0.003 . . . . . . 283 E HN . 26574 1 315 . 1 1 74 74 GLU C C 13 176.869 0.026 . . . . . . 283 E CO . 26574 1 316 . 1 1 74 74 GLU CA C 13 57.160 0.048 . . . . . . 283 E CA . 26574 1 317 . 1 1 74 74 GLU CB C 13 26.920 0.005 . . . . . . 283 E CB . 26574 1 318 . 1 1 74 74 GLU N N 15 118.395 0.025 . . . . . . 283 E N . 26574 1 319 . 1 1 75 75 LEU H H 1 8.510 0.004 . . . . . . 284 L HN . 26574 1 320 . 1 1 75 75 LEU C C 13 175.931 0.038 . . . . . . 284 L CO . 26574 1 321 . 1 1 75 75 LEU CA C 13 55.760 0.049 . . . . . . 284 L CA . 26574 1 322 . 1 1 75 75 LEU CB C 13 39.373 0.023 . . . . . . 284 L CB . 26574 1 323 . 1 1 75 75 LEU N N 15 120.267 0.026 . . . . . . 284 L N . 26574 1 324 . 1 1 76 76 LEU H H 1 8.248 0.005 . . . . . . 285 L HN . 26574 1 325 . 1 1 76 76 LEU C C 13 177.743 0.006 . . . . . . 285 L CO . 26574 1 326 . 1 1 76 76 LEU CA C 13 55.633 0.063 . . . . . . 285 L CA . 26574 1 327 . 1 1 76 76 LEU CB C 13 38.443 0.026 . . . . . . 285 L CB . 26574 1 328 . 1 1 76 76 LEU N N 15 119.396 0.057 . . . . . . 285 L N . 26574 1 329 . 1 1 77 77 ILE H H 1 7.843 0.003 . . . . . . 286 I HN . 26574 1 330 . 1 1 77 77 ILE C C 13 175.912 0.014 . . . . . . 286 I CO . 26574 1 331 . 1 1 77 77 ILE CA C 13 62.309 0.072 . . . . . . 286 I CA . 26574 1 332 . 1 1 77 77 ILE CB C 13 35.517 0.035 . . . . . . 286 I CB . 26574 1 333 . 1 1 77 77 ILE N N 15 121.597 0.028 . . . . . . 286 I N . 26574 1 334 . 1 1 78 78 VAL H H 1 7.950 0.002 . . . . . . 287 V HN . 26574 1 335 . 1 1 78 78 VAL C C 13 175.609 0.012 . . . . . . 287 V CO . 26574 1 336 . 1 1 78 78 VAL CA C 13 64.204 0.036 . . . . . . 287 V CA . 26574 1 337 . 1 1 78 78 VAL CB C 13 28.489 0.026 . . . . . . 287 V CB . 26574 1 338 . 1 1 78 78 VAL N N 15 120.706 0.041 . . . . . . 287 V N . 26574 1 339 . 1 1 79 79 ASN H H 1 8.612 0.004 . . . . . . 288 N HN . 26574 1 340 . 1 1 79 79 ASN C C 13 174.212 0.012 . . . . . . 288 N CO . 26574 1 341 . 1 1 79 79 ASN CA C 13 54.837 0.056 . . . . . . 288 N CA . 26574 1 342 . 1 1 79 79 ASN CB C 13 36.431 0.065 . . . . . . 288 N CB . 26574 1 343 . 1 1 79 79 ASN N N 15 118.096 0.034 . . . . . . 288 N N . 26574 1 344 . 1 1 80 80 ASP H H 1 8.146 0.003 . . . . . . 289 D HN . 26574 1 345 . 1 1 80 80 ASP C C 13 176.189 0.024 . . . . . . 289 D CO . 26574 1 346 . 1 1 80 80 ASP CA C 13 54.877 0.016 . . . . . . 289 D CA . 26574 1 347 . 1 1 80 80 ASP CB C 13 37.852 0.039 . . . . . . 289 D CB . 26574 1 348 . 1 1 80 80 ASP N N 15 119.540 0.028 . . . . . . 289 D N . 26574 1 349 . 1 1 81 81 ASN H H 1 8.454 0.003 . . . . . . 290 N HN . 26574 1 350 . 1 1 81 81 ASN C C 13 176.214 0.002 . . . . . . 290 N CO . 26574 1 351 . 1 1 81 81 ASN CA C 13 53.265 0.036 . . . . . . 290 N CA . 26574 1 352 . 1 1 81 81 ASN CB C 13 34.980 0.067 . . . . . . 290 N CB . 26574 1 353 . 1 1 81 81 ASN N N 15 120.056 0.053 . . . . . . 290 N N . 26574 1 354 . 1 1 82 82 LEU H H 1 8.645 0.003 . . . . . . 291 L HN . 26574 1 355 . 1 1 82 82 LEU C C 13 173.354 0.024 . . . . . . 291 L CO . 26574 1 356 . 1 1 82 82 LEU CA C 13 55.027 0.015 . . . . . . 291 L CA . 26574 1 357 . 1 1 82 82 LEU CB C 13 38.359 0.072 . . . . . . 291 L CB . 26574 1 358 . 1 1 82 82 LEU N N 15 123.160 0.049 . . . . . . 291 L N . 26574 1 359 . 1 1 83 83 ASN H H 1 8.261 0.004 . . . . . . 292 N HN . 26574 1 360 . 1 1 83 83 ASN C C 13 176.222 0.012 . . . . . . 292 N CO . 26574 1 361 . 1 1 83 83 ASN CA C 13 53.686 0.036 . . . . . . 292 N CA . 26574 1 362 . 1 1 83 83 ASN CB C 13 34.884 0.022 . . . . . . 292 N CB . 26574 1 363 . 1 1 83 83 ASN N N 15 116.001 0.029 . . . . . . 292 N N . 26574 1 364 . 1 1 84 84 ASN H H 1 8.221 0.003 . . . . . . 293 N HN . 26574 1 365 . 1 1 84 84 ASN C C 13 175.229 0.009 . . . . . . 293 N CO . 26574 1 366 . 1 1 84 84 ASN CA C 13 54.292 0.015 . . . . . . 293 N CA . 26574 1 367 . 1 1 84 84 ASN CB C 13 36.267 0.040 . . . . . . 293 N CB . 26574 1 368 . 1 1 84 84 ASN N N 15 117.564 0.057 . . . . . . 293 N N . 26574 1 369 . 1 1 85 85 VAL H H 1 7.912 0.005 . . . . . . 294 V HN . 26574 1 370 . 1 1 85 85 VAL C C 13 175.599 0.023 . . . . . . 294 V CO . 26574 1 371 . 1 1 85 85 VAL CA C 13 63.541 0.093 . . . . . . 294 V CA . 26574 1 372 . 1 1 85 85 VAL CB C 13 28.489 0.129 . . . . . . 294 V CB . 26574 1 373 . 1 1 85 85 VAL N N 15 120.648 0.048 . . . . . . 294 V N . 26574 1 374 . 1 1 86 86 PHE H H 1 8.229 0.002 . . . . . . 295 F HN . 26574 1 375 . 1 1 86 86 PHE C C 13 177.191 0.007 . . . . . . 295 F CO . 26574 1 376 . 1 1 86 86 PHE CA C 13 56.337 0.097 . . . . . . 295 F CA . 26574 1 377 . 1 1 86 86 PHE CB C 13 34.263 0.066 . . . . . . 295 F CB . 26574 1 378 . 1 1 86 86 PHE N N 15 122.208 0.045 . . . . . . 295 F N . 26574 1 379 . 1 1 87 87 LEU H H 1 8.048 0.004 . . . . . . 296 L HN . 26574 1 380 . 1 1 87 87 LEU C C 13 177.712 0.004 . . . . . . 296 L CO . 26574 1 381 . 1 1 87 87 LEU CA C 13 55.900 0.051 . . . . . . 296 L CA . 26574 1 382 . 1 1 87 87 LEU CB C 13 39.254 0.036 . . . . . . 296 L CB . 26574 1 383 . 1 1 87 87 LEU N N 15 122.231 0.043 . . . . . . 296 L N . 26574 1 384 . 1 1 88 88 ARG H H 1 7.997 0.003 . . . . . . 297 R HN . 26574 1 385 . 1 1 88 88 ARG C C 13 177.099 0.009 . . . . . . 297 R CO . 26574 1 386 . 1 1 88 88 ARG CA C 13 57.148 0.005 . . . . . . 297 R CA . 26574 1 387 . 1 1 88 88 ARG CB C 13 28.396 0.027 . . . . . . 297 R CB . 26574 1 388 . 1 1 88 88 ARG N N 15 119.503 0.068 . . . . . . 297 R N . 26574 1 389 . 1 1 89 89 HIS H H 1 9.081 0.003 . . . . . . 298 H HN . 26574 1 390 . 1 1 89 89 HIS C C 13 173.996 0.009 . . . . . . 298 H CO . 26574 1 391 . 1 1 89 89 HIS CA C 13 57.138 0.066 . . . . . . 298 H CA . 26574 1 392 . 1 1 89 89 HIS CB C 13 28.587 0.000 . . . . . . 298 H CB . 26574 1 393 . 1 1 89 89 HIS N N 15 123.503 0.023 . . . . . . 298 H N . 26574 1 394 . 1 1 90 90 GLU H H 1 8.502 0.003 . . . . . . 299 E HN . 26574 1 395 . 1 1 90 90 GLU C C 13 176.859 0.005 . . . . . . 299 E CO . 26574 1 396 . 1 1 90 90 GLU CA C 13 57.255 0.052 . . . . . . 299 E CA . 26574 1 397 . 1 1 90 90 GLU CB C 13 26.697 0.103 . . . . . . 299 E CB . 26574 1 398 . 1 1 90 90 GLU N N 15 120.616 0.044 . . . . . . 299 E N . 26574 1 399 . 1 1 91 91 ARG H H 1 7.832 0.003 . . . . . . 300 R HN . 26574 1 400 . 1 1 91 91 ARG C C 13 174.818 0.009 . . . . . . 300 R CO . 26574 1 401 . 1 1 91 91 ARG CA C 13 57.142 0.103 . . . . . . 300 R CA . 26574 1 402 . 1 1 91 91 ARG CB C 13 27.365 0.010 . . . . . . 300 R CB . 26574 1 403 . 1 1 91 91 ARG N N 15 118.974 0.017 . . . . . . 300 R N . 26574 1 404 . 1 1 92 92 PHE H H 1 8.123 0.002 . . . . . . 301 F HN . 26574 1 405 . 1 1 92 92 PHE C C 13 174.613 0.042 . . . . . . 301 F CO . 26574 1 406 . 1 1 92 92 PHE CA C 13 58.986 0.005 . . . . . . 301 F CA . 26574 1 407 . 1 1 92 92 PHE CB C 13 37.539 0.077 . . . . . . 301 F CB . 26574 1 408 . 1 1 92 92 PHE N N 15 121.767 0.042 . . . . . . 301 F N . 26574 1 409 . 1 1 93 93 GLU H H 1 8.582 0.002 . . . . . . 302 E HN . 26574 1 410 . 1 1 93 93 GLU C C 13 177.164 0.006 . . . . . . 302 E CO . 26574 1 411 . 1 1 93 93 GLU CA C 13 55.853 0.026 . . . . . . 302 E CA . 26574 1 412 . 1 1 93 93 GLU CB C 13 27.565 0.046 . . . . . . 302 E CB . 26574 1 413 . 1 1 93 93 GLU N N 15 118.486 0.037 . . . . . . 302 E N . 26574 1 414 . 1 1 94 94 ARG H H 1 8.083 0.004 . . . . . . 303 R HN . 26574 1 415 . 1 1 94 94 ARG C C 13 176.500 0.024 . . . . . . 303 R CO . 26574 1 416 . 1 1 94 94 ARG CA C 13 57.081 0.113 . . . . . . 303 R CA . 26574 1 417 . 1 1 94 94 ARG CB C 13 27.170 0.113 . . . . . . 303 R CB . 26574 1 418 . 1 1 94 94 ARG N N 15 120.996 0.008 . . . . . . 303 R N . 26574 1 419 . 1 1 95 95 PHE H H 1 8.091 0.003 . . . . . . 304 F HN . 26574 1 420 . 1 1 95 95 PHE C C 13 176.014 0.003 . . . . . . 304 F CO . 26574 1 421 . 1 1 95 95 PHE CA C 13 57.188 0.057 . . . . . . 304 F CA . 26574 1 422 . 1 1 95 95 PHE CB C 13 36.009 0.036 . . . . . . 304 F CB . 26574 1 423 . 1 1 95 95 PHE N N 15 118.678 0.049 . . . . . . 304 F N . 26574 1 424 . 1 1 96 96 ARG H H 1 8.408 0.003 . . . . . . 305 R HN . 26574 1 425 . 1 1 96 96 ARG C C 13 174.810 0.023 . . . . . . 305 R CO . 26574 1 426 . 1 1 96 96 ARG CA C 13 56.711 0.065 . . . . . . 305 R CA . 26574 1 427 . 1 1 96 96 ARG CB C 13 28.325 0.012 . . . . . . 305 R CB . 26574 1 428 . 1 1 96 96 ARG N N 15 119.643 0.036 . . . . . . 305 R N . 26574 1 429 . 1 1 97 97 THR H H 1 7.848 0.003 . . . . . . 306 T HN . 26574 1 430 . 1 1 97 97 THR C C 13 173.046 0.025 . . . . . . 306 T CO . 26574 1 431 . 1 1 97 97 THR CA C 13 59.536 0.146 . . . . . . 306 T CA . 26574 1 432 . 1 1 97 97 THR CB C 13 67.438 0.005 . . . . . . 306 T CB . 26574 1 433 . 1 1 97 97 THR N N 15 106.888 0.034 . . . . . . 306 T N . 26574 1 434 . 1 1 98 98 GLY H H 1 7.803 0.002 . . . . . . 307 G HN . 26574 1 435 . 1 1 98 98 GLY C C 13 171.615 0.008 . . . . . . 307 G CO . 26574 1 436 . 1 1 98 98 GLY CA C 13 43.396 0.092 . . . . . . 307 G CA . 26574 1 437 . 1 1 98 98 GLY N N 15 110.495 0.026 . . . . . . 307 G N . 26574 1 438 . 1 1 99 99 GLN H H 1 8.107 0.003 . . . . . . 308 Q HN . 26574 1 439 . 1 1 99 99 GLN C C 13 172.545 0.016 . . . . . . 308 Q CO . 26574 1 440 . 1 1 99 99 GLN CA C 13 53.003 0.055 . . . . . . 308 Q CA . 26574 1 441 . 1 1 99 99 GLN CB C 13 26.934 0.082 . . . . . . 308 Q CB . 26574 1 442 . 1 1 99 99 GLN N N 15 120.080 0.046 . . . . . . 308 Q N . 26574 1 443 . 1 1 100 100 THR H H 1 7.772 0.003 . . . . . . 309 T HN . 26574 1 444 . 1 1 100 100 THR C C 13 176.586 0.000 . . . . . . 309 T CO . 26574 1 445 . 1 1 100 100 THR CA C 13 60.614 0.000 . . . . . . 309 T CA . 26574 1 446 . 1 1 100 100 THR CB C 13 68.030 0.000 . . . . . . 309 T CB . 26574 1 447 . 1 1 100 100 THR N N 15 119.808 0.048 . . . . . . 309 T N . 26574 1 stop_ save_