data_25602 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25602 _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 2015-05-11 _Entry.Accession_date 2015-05-11 _Entry.Last_release_date 2015-09-14 _Entry.Original_release_date 2015-09-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _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.ORCID _Entry_author.Entry_ID 1 Shuyan Xiao . . . . 25602 2 Geoffrey Armstrong . . . . 25602 3 Daniel Capelluto . . . . 25602 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25602 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID protein . 25602 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25602 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 263 25602 '15N chemical shifts' 87 25602 '1H chemical shifts' 87 25602 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 . . 2016-08-24 2015-05-11 update BMRB 'update entry citation' 25602 1 . . 2015-09-14 2015-05-11 original author 'original release' 25602 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26574 'GAT apo state' 25602 PDB 2N2N 'BMRB Entry Tracking System' 25602 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 25602 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Shuyan Xiao . . . . 25602 1 2 Mary Brannon . K. . . 25602 1 3 Xiaolin Zhao . . . . 25602 1 4 Kristen Fread . I. . . 25602 1 5 Jeffrey Ellena . F. . . 25602 1 6 John Bushweller . H. . . 25602 1 7 Carla Finkielstein . V. . . 25602 1 8 Geoffrey Armstrong . S. . . 25602 1 9 Daniel Capelluto . G.S. . . 25602 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25602 _Assembly.ID 1 _Assembly.Name GAT _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 entity 1 $entity A . yes native no no . . . 25602 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25602 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _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 . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11089.725 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID VPG na 25602 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 1 210 GLY . 25602 1 2 211 PRO . 25602 1 3 212 LEU . 25602 1 4 213 GLY . 25602 1 5 214 SER . 25602 1 6 215 GLU . 25602 1 7 216 GLN . 25602 1 8 217 ILE . 25602 1 9 218 GLY . 25602 1 10 219 LYS . 25602 1 11 220 LEU . 25602 1 12 221 ARG . 25602 1 13 222 SER . 25602 1 14 223 GLU . 25602 1 15 224 LEU . 25602 1 16 225 GLU . 25602 1 17 226 MET . 25602 1 18 227 VAL . 25602 1 19 228 SER . 25602 1 20 229 GLY . 25602 1 21 230 ASN . 25602 1 22 231 VAL . 25602 1 23 232 ARG . 25602 1 24 233 VAL . 25602 1 25 234 MET . 25602 1 26 235 SER . 25602 1 27 236 GLU . 25602 1 28 237 MET . 25602 1 29 238 LEU . 25602 1 30 239 THR . 25602 1 31 240 GLU . 25602 1 32 241 LEU . 25602 1 33 242 VAL . 25602 1 34 243 PRO . 25602 1 35 244 THR . 25602 1 36 245 GLN . 25602 1 37 246 ALA . 25602 1 38 247 GLU . 25602 1 39 248 PRO . 25602 1 40 249 ALA . 25602 1 41 250 ASP . 25602 1 42 251 LEU . 25602 1 43 252 GLU . 25602 1 44 253 LEU . 25602 1 45 254 LEU . 25602 1 46 255 GLN . 25602 1 47 256 GLU . 25602 1 48 257 LEU . 25602 1 49 258 ASN . 25602 1 50 259 ARG . 25602 1 51 260 THR . 25602 1 52 261 CYS . 25602 1 53 262 ARG . 25602 1 54 263 ALA . 25602 1 55 264 MET . 25602 1 56 265 GLN . 25602 1 57 266 GLN . 25602 1 58 267 ARG . 25602 1 59 268 VAL . 25602 1 60 269 LEU . 25602 1 61 270 GLU . 25602 1 62 271 LEU . 25602 1 63 272 ILE . 25602 1 64 273 PRO . 25602 1 65 274 GLN . 25602 1 66 275 ILE . 25602 1 67 276 ALA . 25602 1 68 277 ASN . 25602 1 69 278 GLU . 25602 1 70 279 GLN . 25602 1 71 280 LEU . 25602 1 72 281 THR . 25602 1 73 282 GLU . 25602 1 74 283 GLU . 25602 1 75 284 LEU . 25602 1 76 285 LEU . 25602 1 77 286 ILE . 25602 1 78 287 VAL . 25602 1 79 288 ASN . 25602 1 80 289 ASP . 25602 1 81 290 ASN . 25602 1 82 291 LEU . 25602 1 83 292 ASN . 25602 1 84 293 ASN . 25602 1 85 294 VAL . 25602 1 86 295 PHE . 25602 1 87 296 LEU . 25602 1 88 297 ARG . 25602 1 89 298 HIS . 25602 1 90 299 GLU . 25602 1 91 300 ARG . 25602 1 92 301 PHE . 25602 1 93 302 GLU . 25602 1 94 303 ARG . 25602 1 95 304 PHE . 25602 1 96 305 ARG . 25602 1 97 306 THR . 25602 1 98 307 GLY . 25602 1 99 308 GLN . 25602 1 100 309 THR . 25602 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 25602 1 . PRO 2 2 25602 1 . LEU 3 3 25602 1 . GLY 4 4 25602 1 . SER 5 5 25602 1 . GLU 6 6 25602 1 . GLN 7 7 25602 1 . ILE 8 8 25602 1 . GLY 9 9 25602 1 . LYS 10 10 25602 1 . LEU 11 11 25602 1 . ARG 12 12 25602 1 . SER 13 13 25602 1 . GLU 14 14 25602 1 . LEU 15 15 25602 1 . GLU 16 16 25602 1 . MET 17 17 25602 1 . VAL 18 18 25602 1 . SER 19 19 25602 1 . GLY 20 20 25602 1 . ASN 21 21 25602 1 . VAL 22 22 25602 1 . ARG 23 23 25602 1 . VAL 24 24 25602 1 . MET 25 25 25602 1 . SER 26 26 25602 1 . GLU 27 27 25602 1 . MET 28 28 25602 1 . LEU 29 29 25602 1 . THR 30 30 25602 1 . GLU 31 31 25602 1 . LEU 32 32 25602 1 . VAL 33 33 25602 1 . PRO 34 34 25602 1 . THR 35 35 25602 1 . GLN 36 36 25602 1 . ALA 37 37 25602 1 . GLU 38 38 25602 1 . PRO 39 39 25602 1 . ALA 40 40 25602 1 . ASP 41 41 25602 1 . LEU 42 42 25602 1 . GLU 43 43 25602 1 . LEU 44 44 25602 1 . LEU 45 45 25602 1 . GLN 46 46 25602 1 . GLU 47 47 25602 1 . LEU 48 48 25602 1 . ASN 49 49 25602 1 . ARG 50 50 25602 1 . THR 51 51 25602 1 . CYS 52 52 25602 1 . ARG 53 53 25602 1 . ALA 54 54 25602 1 . MET 55 55 25602 1 . GLN 56 56 25602 1 . GLN 57 57 25602 1 . ARG 58 58 25602 1 . VAL 59 59 25602 1 . LEU 60 60 25602 1 . GLU 61 61 25602 1 . LEU 62 62 25602 1 . ILE 63 63 25602 1 . PRO 64 64 25602 1 . GLN 65 65 25602 1 . ILE 66 66 25602 1 . ALA 67 67 25602 1 . ASN 68 68 25602 1 . GLU 69 69 25602 1 . GLN 70 70 25602 1 . LEU 71 71 25602 1 . THR 72 72 25602 1 . GLU 73 73 25602 1 . GLU 74 74 25602 1 . LEU 75 75 25602 1 . LEU 76 76 25602 1 . ILE 77 77 25602 1 . VAL 78 78 25602 1 . ASN 79 79 25602 1 . ASP 80 80 25602 1 . ASN 81 81 25602 1 . LEU 82 82 25602 1 . ASN 83 83 25602 1 . ASN 84 84 25602 1 . VAL 85 85 25602 1 . PHE 86 86 25602 1 . LEU 87 87 25602 1 . ARG 88 88 25602 1 . HIS 89 89 25602 1 . GLU 90 90 25602 1 . ARG 91 91 25602 1 . PHE 92 92 25602 1 . GLU 93 93 25602 1 . ARG 94 94 25602 1 . PHE 95 95 25602 1 . ARG 96 96 25602 1 . THR 97 97 25602 1 . GLY 98 98 25602 1 . GLN 99 99 25602 1 . THR 100 100 25602 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 25602 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 25602 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 25602 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . PGEX-6P-1 . . . 25602 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25602 _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 'Tom1 GAT' '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 0.9 0.8 1.0 mM . . . . 25602 1 2 'Tollip TBD' 'natural abundance' . . . . . . 1.1 1.0 1.2 mM . . . . 25602 1 3 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 25602 1 4 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25602 1 5 TRIS [U-2H] . . . . . . 20 . . mM . . . . 25602 1 6 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 25602 1 7 DTT [U-2H] . . . . . . 1 . . mM . . . . 25602 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 25602 _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 25602 1 pH 7.0 . pH 25602 1 pressure 1 . Pa 25602 1 temperature 298 . K 25602 1 stop_ save_ ############################ # Computer software used # ############################ save_ROSETTA _Software.Sf_category software _Software.Sf_framecode ROSETTA _Software.Entry_ID 25602 _Software.ID 1 _Software.Name ROSETTA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 25602 1 'Bruker Biospin' . . 25602 1 'Cornilescu, Delaglio and Bax' . . 25602 1 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25602 1 Goddard . . 25602 1 ROSETTA . . 25602 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25602 1 'data analysis' 25602 1 processing 25602 1 'structure solution' 25602 1 validation 25602 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 25602 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 25602 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Agilent DD2' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 25602 _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 . 600 . 1 $citations 25602 1 2 spectrometer_2 Varian 'Agilent DD2' . 900 . . . 25602 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 25602 _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 . . . . . . . . . . . . . . . . . . . . . 25602 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25602 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25602 1 4 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25602 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25602 1 6 '3D 1H- 15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25602 1 7 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25602 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 25602 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25602 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25602 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25602 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 25602 _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' . . . 25602 1 2 '3D CBCA(CO)NH' . . . 25602 1 3 '3D HNCO' . . . 25602 1 4 '3D HCACO' . . . 25602 1 5 '3D HNCACB' . . . 25602 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 H H 1 9.297 0.003 . . . . . A 215 GLU H . 25602 1 2 . 1 1 6 6 GLU C C 13 176.162 0.022 . . . . . A 215 GLU C . 25602 1 3 . 1 1 6 6 GLU CA C 13 56.302 0.015 . . . . . A 215 GLU CA . 25602 1 4 . 1 1 6 6 GLU CB C 13 25.368 0.103 . . . . . A 215 GLU CB . 25602 1 5 . 1 1 6 6 GLU N N 15 123.057 0.054 . . . . . A 215 GLU N . 25602 1 6 . 1 1 7 7 GLN H H 1 7.722 0.004 . . . . . A 216 GLN H . 25602 1 7 . 1 1 7 7 GLN C C 13 175.884 0.052 . . . . . A 216 GLN C . 25602 1 8 . 1 1 7 7 GLN CA C 13 55.654 0.000 . . . . . A 216 GLN CA . 25602 1 9 . 1 1 7 7 GLN CB C 13 26.543 0.000 . . . . . A 216 GLN CB . 25602 1 10 . 1 1 7 7 GLN N N 15 120.132 0.112 . . . . . A 216 GLN N . 25602 1 11 . 1 1 8 8 ILE H H 1 8.234 0.006 . . . . . A 217 ILE H . 25602 1 12 . 1 1 8 8 ILE C C 13 174.288 0.009 . . . . . A 217 ILE C . 25602 1 13 . 1 1 8 8 ILE CA C 13 62.109 0.035 . . . . . A 217 ILE CA . 25602 1 14 . 1 1 8 8 ILE CB C 13 34.606 0.034 . . . . . A 217 ILE CB . 25602 1 15 . 1 1 8 8 ILE N N 15 120.618 0.096 . . . . . A 217 ILE N . 25602 1 16 . 1 1 9 9 GLY H H 1 8.290 0.011 . . . . . A 218 GLY H . 25602 1 17 . 1 1 9 9 GLY C C 13 174.294 0.000 . . . . . A 218 GLY C . 25602 1 18 . 1 1 9 9 GLY CA C 13 44.102 0.063 . . . . . A 218 GLY CA . 25602 1 19 . 1 1 9 9 GLY N N 15 106.818 0.083 . . . . . A 218 GLY N . 25602 1 20 . 1 1 10 10 LYS H H 1 7.673 0.003 . . . . . A 219 LYS H . 25602 1 21 . 1 1 10 10 LYS C C 13 175.103 0.022 . . . . . A 219 LYS C . 25602 1 22 . 1 1 10 10 LYS CA C 13 56.597 0.004 . . . . . A 219 LYS CA . 25602 1 23 . 1 1 10 10 LYS CB C 13 30.212 0.088 . . . . . A 219 LYS CB . 25602 1 24 . 1 1 10 10 LYS N N 15 124.168 0.095 . . . . . A 219 LYS N . 25602 1 25 . 1 1 11 11 LEU H H 1 7.737 0.006 . . . . . A 220 LEU H . 25602 1 26 . 1 1 11 11 LEU C C 13 176.105 0.020 . . . . . A 220 LEU C . 25602 1 27 . 1 1 11 11 LEU CA C 13 54.509 0.092 . . . . . A 220 LEU CA . 25602 1 28 . 1 1 11 11 LEU CB C 13 38.992 0.078 . . . . . A 220 LEU CB . 25602 1 29 . 1 1 11 11 LEU N N 15 118.471 0.061 . . . . . A 220 LEU N . 25602 1 30 . 1 1 12 12 ARG H H 1 8.749 0.005 . . . . . A 221 ARG H . 25602 1 31 . 1 1 12 12 ARG C C 13 176.196 0.008 . . . . . A 221 ARG C . 25602 1 32 . 1 1 12 12 ARG CA C 13 57.792 0.036 . . . . . A 221 ARG CA . 25602 1 33 . 1 1 12 12 ARG CB C 13 26.422 0.073 . . . . . A 221 ARG CB . 25602 1 34 . 1 1 12 12 ARG N N 15 117.401 0.070 . . . . . A 221 ARG N . 25602 1 35 . 1 1 13 13 SER H H 1 8.074 0.006 . . . . . A 222 SER H . 25602 1 36 . 1 1 13 13 SER C C 13 174.082 0.029 . . . . . A 222 SER C . 25602 1 37 . 1 1 13 13 SER CA C 13 58.582 0.070 . . . . . A 222 SER CA . 25602 1 38 . 1 1 13 13 SER CB C 13 59.867 0.032 . . . . . A 222 SER CB . 25602 1 39 . 1 1 13 13 SER N N 15 116.621 0.108 . . . . . A 222 SER N . 25602 1 40 . 1 1 14 14 GLU H H 1 7.933 0.006 . . . . . A 223 GLU H . 25602 1 41 . 1 1 14 14 GLU C C 13 176.329 0.017 . . . . . A 223 GLU C . 25602 1 42 . 1 1 14 14 GLU CA C 13 56.112 0.068 . . . . . A 223 GLU CA . 25602 1 43 . 1 1 14 14 GLU CB C 13 24.713 0.047 . . . . . A 223 GLU CB . 25602 1 44 . 1 1 14 14 GLU N N 15 124.129 0.057 . . . . . A 223 GLU N . 25602 1 45 . 1 1 15 15 LEU H H 1 8.896 0.009 . . . . . A 224 LEU H . 25602 1 46 . 1 1 15 15 LEU C C 13 176.161 0.006 . . . . . A 224 LEU C . 25602 1 47 . 1 1 15 15 LEU CA C 13 54.763 0.071 . . . . . A 224 LEU CA . 25602 1 48 . 1 1 15 15 LEU CB C 13 38.424 0.000 . . . . . A 224 LEU CB . 25602 1 49 . 1 1 15 15 LEU N N 15 121.246 0.099 . . . . . A 224 LEU N . 25602 1 50 . 1 1 16 16 GLU H H 1 7.945 0.009 . . . . . A 225 GLU H . 25602 1 51 . 1 1 16 16 GLU C C 13 176.838 0.026 . . . . . A 225 GLU C . 25602 1 52 . 1 1 16 16 GLU CA C 13 56.181 0.045 . . . . . A 225 GLU CA . 25602 1 53 . 1 1 16 16 GLU CB C 13 25.904 0.071 . . . . . A 225 GLU CB . 25602 1 54 . 1 1 16 16 GLU N N 15 119.105 0.061 . . . . . A 225 GLU N . 25602 1 55 . 1 1 17 17 MET H H 1 7.536 0.005 . . . . . A 226 MET H . 25602 1 56 . 1 1 17 17 MET C C 13 176.072 0.038 . . . . . A 226 MET C . 25602 1 57 . 1 1 17 17 MET CA C 13 55.788 0.040 . . . . . A 226 MET CA . 25602 1 58 . 1 1 17 17 MET CB C 13 30.023 0.087 . . . . . A 226 MET CB . 25602 1 59 . 1 1 17 17 MET N N 15 119.662 0.085 . . . . . A 226 MET N . 25602 1 60 . 1 1 18 18 VAL H H 1 7.900 0.007 . . . . . A 227 VAL H . 25602 1 61 . 1 1 18 18 VAL C C 13 175.285 0.017 . . . . . A 227 VAL C . 25602 1 62 . 1 1 18 18 VAL CA C 13 62.618 0.029 . . . . . A 227 VAL CA . 25602 1 63 . 1 1 18 18 VAL CB C 13 28.816 0.144 . . . . . A 227 VAL CB . 25602 1 64 . 1 1 18 18 VAL N N 15 119.981 0.053 . . . . . A 227 VAL N . 25602 1 65 . 1 1 19 19 SER H H 1 8.856 0.010 . . . . . A 228 SER H . 25602 1 66 . 1 1 19 19 SER C C 13 174.318 0.000 . . . . . A 228 SER C . 25602 1 67 . 1 1 19 19 SER CA C 13 59.142 0.110 . . . . . A 228 SER CA . 25602 1 68 . 1 1 19 19 SER N N 15 115.349 0.060 . . . . . A 228 SER N . 25602 1 69 . 1 1 20 20 GLY H H 1 8.597 0.003 . . . . . A 229 GLY H . 25602 1 70 . 1 1 20 20 GLY C C 13 172.592 0.000 . . . . . A 229 GLY C . 25602 1 71 . 1 1 20 20 GLY CA C 13 44.426 0.079 . . . . . A 229 GLY CA . 25602 1 72 . 1 1 20 20 GLY N N 15 111.327 0.063 . . . . . A 229 GLY N . 25602 1 73 . 1 1 21 21 ASN H H 1 7.687 0.006 . . . . . A 230 ASN H . 25602 1 74 . 1 1 21 21 ASN C C 13 174.260 0.004 . . . . . A 230 ASN C . 25602 1 75 . 1 1 21 21 ASN CA C 13 52.423 0.048 . . . . . A 230 ASN CA . 25602 1 76 . 1 1 21 21 ASN CB C 13 35.372 0.045 . . . . . A 230 ASN CB . 25602 1 77 . 1 1 21 21 ASN N N 15 122.800 0.100 . . . . . A 230 ASN N . 25602 1 78 . 1 1 22 22 VAL H H 1 8.249 0.007 . . . . . A 231 VAL H . 25602 1 79 . 1 1 22 22 VAL C C 13 174.278 0.013 . . . . . A 231 VAL C . 25602 1 80 . 1 1 22 22 VAL CA C 13 63.781 0.013 . . . . . A 231 VAL CA . 25602 1 81 . 1 1 22 22 VAL CB C 13 28.381 0.104 . . . . . A 231 VAL CB . 25602 1 82 . 1 1 22 22 VAL N N 15 119.849 0.066 . . . . . A 231 VAL N . 25602 1 83 . 1 1 23 23 ARG H H 1 8.298 0.007 . . . . . A 232 ARG H . 25602 1 84 . 1 1 23 23 ARG C C 13 175.510 0.044 . . . . . A 232 ARG C . 25602 1 85 . 1 1 23 23 ARG CA C 13 56.964 0.095 . . . . . A 232 ARG CA . 25602 1 86 . 1 1 23 23 ARG CB C 13 26.517 0.037 . . . . . A 232 ARG CB . 25602 1 87 . 1 1 23 23 ARG N N 15 120.982 0.060 . . . . . A 232 ARG N . 25602 1 88 . 1 1 24 24 VAL H H 1 7.689 0.011 . . . . . A 233 VAL H . 25602 1 89 . 1 1 24 24 VAL C C 13 174.662 0.005 . . . . . A 233 VAL C . 25602 1 90 . 1 1 24 24 VAL CA C 13 64.349 0.022 . . . . . A 233 VAL CA . 25602 1 91 . 1 1 24 24 VAL CB C 13 28.358 0.094 . . . . . A 233 VAL CB . 25602 1 92 . 1 1 24 24 VAL N N 15 118.982 0.059 . . . . . A 233 VAL N . 25602 1 93 . 1 1 25 25 MET H H 1 8.504 0.005 . . . . . A 234 MET H . 25602 1 94 . 1 1 25 25 MET C C 13 174.108 0.003 . . . . . A 234 MET C . 25602 1 95 . 1 1 25 25 MET CA C 13 57.603 0.008 . . . . . A 234 MET CA . 25602 1 96 . 1 1 25 25 MET CB C 13 30.073 0.041 . . . . . A 234 MET CB . 25602 1 97 . 1 1 25 25 MET N N 15 118.900 0.092 . . . . . A 234 MET N . 25602 1 98 . 1 1 26 26 SER H H 1 8.875 0.008 . . . . . A 235 SER H . 25602 1 99 . 1 1 26 26 SER C C 13 174.226 0.039 . . . . . A 235 SER C . 25602 1 100 . 1 1 26 26 SER CA C 13 58.325 0.075 . . . . . A 235 SER CA . 25602 1 101 . 1 1 26 26 SER CB C 13 60.022 0.035 . . . . . A 235 SER CB . 25602 1 102 . 1 1 26 26 SER N N 15 111.867 0.100 . . . . . A 235 SER N . 25602 1 103 . 1 1 27 27 GLU H H 1 8.325 0.023 . . . . . A 236 GLU H . 25602 1 104 . 1 1 27 27 GLU C C 13 176.365 0.051 . . . . . A 236 GLU C . 25602 1 105 . 1 1 27 27 GLU CA C 13 56.471 0.043 . . . . . A 236 GLU CA . 25602 1 106 . 1 1 27 27 GLU CB C 13 26.050 0.003 . . . . . A 236 GLU CB . 25602 1 107 . 1 1 27 27 GLU N N 15 120.993 0.131 . . . . . A 236 GLU N . 25602 1 108 . 1 1 28 28 MET H H 1 8.497 0.007 . . . . . A 237 MET H . 25602 1 109 . 1 1 28 28 MET C C 13 173.979 0.026 . . . . . A 237 MET C . 25602 1 110 . 1 1 28 28 MET CA C 13 57.773 0.075 . . . . . A 237 MET CA . 25602 1 111 . 1 1 28 28 MET CB C 13 30.488 0.034 . . . . . A 237 MET CB . 25602 1 112 . 1 1 28 28 MET N N 15 118.424 0.103 . . . . . A 237 MET N . 25602 1 113 . 1 1 29 29 LEU H H 1 8.065 0.011 . . . . . A 238 LEU H . 25602 1 114 . 1 1 29 29 LEU C C 13 175.229 0.039 . . . . . A 238 LEU C . 25602 1 115 . 1 1 29 29 LEU CA C 13 53.967 0.061 . . . . . A 238 LEU CA . 25602 1 116 . 1 1 29 29 LEU CB C 13 38.498 0.048 . . . . . A 238 LEU CB . 25602 1 117 . 1 1 29 29 LEU N N 15 115.493 0.066 . . . . . A 238 LEU N . 25602 1 118 . 1 1 30 30 THR H H 1 7.786 0.011 . . . . . A 239 THR H . 25602 1 119 . 1 1 30 30 THR C C 13 172.074 0.026 . . . . . A 239 THR C . 25602 1 120 . 1 1 30 30 THR CA C 13 62.017 0.035 . . . . . A 239 THR CA . 25602 1 121 . 1 1 30 30 THR CB C 13 66.183 0.106 . . . . . A 239 THR CB . 25602 1 122 . 1 1 30 30 THR N N 15 115.280 0.067 . . . . . A 239 THR N . 25602 1 123 . 1 1 31 31 GLU H H 1 7.950 0.007 . . . . . A 240 GLU H . 25602 1 124 . 1 1 31 31 GLU C C 13 174.572 0.024 . . . . . A 240 GLU C . 25602 1 125 . 1 1 31 31 GLU CA C 13 54.950 0.074 . . . . . A 240 GLU CA . 25602 1 126 . 1 1 31 31 GLU CB C 13 28.573 0.039 . . . . . A 240 GLU CB . 25602 1 127 . 1 1 31 31 GLU N N 15 119.535 0.103 . . . . . A 240 GLU N . 25602 1 128 . 1 1 32 32 LEU H H 1 8.200 0.011 . . . . . A 241 LEU H . 25602 1 129 . 1 1 32 32 LEU C C 13 173.195 0.008 . . . . . A 241 LEU C . 25602 1 130 . 1 1 32 32 LEU CA C 13 51.771 0.081 . . . . . A 241 LEU CA . 25602 1 131 . 1 1 32 32 LEU CB C 13 39.853 0.053 . . . . . A 241 LEU CB . 25602 1 132 . 1 1 32 32 LEU N N 15 118.830 0.087 . . . . . A 241 LEU N . 25602 1 133 . 1 1 33 33 VAL H H 1 8.681 0.006 . . . . . A 242 VAL H . 25602 1 134 . 1 1 33 33 VAL C C 13 174.010 0.000 . . . . . A 242 VAL C . 25602 1 135 . 1 1 33 33 VAL CA C 13 56.878 0.000 . . . . . A 242 VAL CA . 25602 1 136 . 1 1 33 33 VAL CB C 13 29.360 0.000 . . . . . A 242 VAL CB . 25602 1 137 . 1 1 33 33 VAL N N 15 125.438 0.069 . . . . . A 242 VAL N . 25602 1 138 . 1 1 34 34 PRO C C 13 174.062 0.011 . . . . . A 243 PRO C . 25602 1 139 . 1 1 34 34 PRO CA C 13 63.189 0.039 . . . . . A 243 PRO CA . 25602 1 140 . 1 1 34 34 PRO CB C 13 28.862 0.000 . . . . . A 243 PRO CB . 25602 1 141 . 1 1 35 35 THR H H 1 6.989 0.004 . . . . . A 244 THR H . 25602 1 142 . 1 1 35 35 THR C C 13 171.681 0.031 . . . . . A 244 THR C . 25602 1 143 . 1 1 35 35 THR CA C 13 59.255 0.038 . . . . . A 244 THR CA . 25602 1 144 . 1 1 35 35 THR CB C 13 65.590 0.049 . . . . . A 244 THR CB . 25602 1 145 . 1 1 35 35 THR N N 15 100.600 0.127 . . . . . A 244 THR N . 25602 1 146 . 1 1 36 36 GLN H H 1 7.760 0.011 . . . . . A 245 GLN H . 25602 1 147 . 1 1 36 36 GLN C C 13 172.144 0.019 . . . . . A 245 GLN C . 25602 1 148 . 1 1 36 36 GLN CA C 13 51.589 0.047 . . . . . A 245 GLN CA . 25602 1 149 . 1 1 36 36 GLN CB C 13 27.300 0.070 . . . . . A 245 GLN CB . 25602 1 150 . 1 1 36 36 GLN N N 15 119.040 0.054 . . . . . A 245 GLN N . 25602 1 151 . 1 1 37 37 ALA H H 1 7.396 0.005 . . . . . A 246 ALA H . 25602 1 152 . 1 1 37 37 ALA C C 13 173.618 0.020 . . . . . A 246 ALA C . 25602 1 153 . 1 1 37 37 ALA CA C 13 49.243 0.026 . . . . . A 246 ALA CA . 25602 1 154 . 1 1 37 37 ALA CB C 13 16.319 0.019 . . . . . A 246 ALA CB . 25602 1 155 . 1 1 37 37 ALA N N 15 124.145 0.074 . . . . . A 246 ALA N . 25602 1 156 . 1 1 38 38 GLU H H 1 9.570 0.006 . . . . . A 247 GLU H . 25602 1 157 . 1 1 38 38 GLU C C 13 172.922 0.000 . . . . . A 247 GLU C . 25602 1 158 . 1 1 38 38 GLU CA C 13 51.813 0.000 . . . . . A 247 GLU CA . 25602 1 159 . 1 1 38 38 GLU CB C 13 25.936 0.000 . . . . . A 247 GLU CB . 25602 1 160 . 1 1 38 38 GLU N N 15 124.137 0.083 . . . . . A 247 GLU N . 25602 1 161 . 1 1 39 39 PRO C C 13 175.691 0.039 . . . . . A 248 PRO C . 25602 1 162 . 1 1 39 39 PRO CA C 13 63.398 0.004 . . . . . A 248 PRO CA . 25602 1 163 . 1 1 39 39 PRO CB C 13 28.855 0.071 . . . . . A 248 PRO CB . 25602 1 164 . 1 1 40 40 ALA H H 1 8.887 0.007 . . . . . A 249 ALA H . 25602 1 165 . 1 1 40 40 ALA C C 13 178.040 0.007 . . . . . A 249 ALA C . 25602 1 166 . 1 1 40 40 ALA CA C 13 52.281 0.084 . . . . . A 249 ALA CA . 25602 1 167 . 1 1 40 40 ALA CB C 13 15.317 0.095 . . . . . A 249 ALA CB . 25602 1 168 . 1 1 40 40 ALA N N 15 118.344 0.125 . . . . . A 249 ALA N . 25602 1 169 . 1 1 41 41 ASP H H 1 7.302 0.006 . . . . . A 250 ASP H . 25602 1 170 . 1 1 41 41 ASP C C 13 174.875 0.017 . . . . . A 250 ASP C . 25602 1 171 . 1 1 41 41 ASP CA C 13 53.880 0.102 . . . . . A 250 ASP CA . 25602 1 172 . 1 1 41 41 ASP CB C 13 38.062 0.031 . . . . . A 250 ASP CB . 25602 1 173 . 1 1 41 41 ASP N N 15 118.303 0.141 . . . . . A 250 ASP N . 25602 1 174 . 1 1 42 42 LEU H H 1 7.909 0.007 . . . . . A 251 LEU H . 25602 1 175 . 1 1 42 42 LEU C C 13 176.701 0.019 . . . . . A 251 LEU C . 25602 1 176 . 1 1 42 42 LEU CA C 13 54.573 0.024 . . . . . A 251 LEU CA . 25602 1 177 . 1 1 42 42 LEU CB C 13 37.799 0.042 . . . . . A 251 LEU CB . 25602 1 178 . 1 1 42 42 LEU N N 15 119.787 0.085 . . . . . A 251 LEU N . 25602 1 179 . 1 1 43 43 GLU H H 1 8.501 0.013 . . . . . A 252 GLU H . 25602 1 180 . 1 1 43 43 GLU C C 13 175.517 0.054 . . . . . A 252 GLU C . 25602 1 181 . 1 1 43 43 GLU CA C 13 56.046 0.132 . . . . . A 252 GLU CA . 25602 1 182 . 1 1 43 43 GLU CB C 13 25.980 0.040 . . . . . A 252 GLU CB . 25602 1 183 . 1 1 43 43 GLU N N 15 120.267 0.032 . . . . . A 252 GLU N . 25602 1 184 . 1 1 44 44 LEU H H 1 7.546 0.004 . . . . . A 253 LEU H . 25602 1 185 . 1 1 44 44 LEU C C 13 175.463 0.015 . . . . . A 253 LEU C . 25602 1 186 . 1 1 44 44 LEU CA C 13 54.798 0.059 . . . . . A 253 LEU CA . 25602 1 187 . 1 1 44 44 LEU CB C 13 37.980 0.010 . . . . . A 253 LEU CB . 25602 1 188 . 1 1 44 44 LEU N N 15 121.018 0.047 . . . . . A 253 LEU N . 25602 1 189 . 1 1 45 45 LEU H H 1 8.420 0.010 . . . . . A 254 LEU H . 25602 1 190 . 1 1 45 45 LEU C C 13 175.535 0.032 . . . . . A 254 LEU C . 25602 1 191 . 1 1 45 45 LEU CA C 13 55.245 0.078 . . . . . A 254 LEU CA . 25602 1 192 . 1 1 45 45 LEU CB C 13 39.127 0.118 . . . . . A 254 LEU CB . 25602 1 193 . 1 1 45 45 LEU N N 15 119.271 0.067 . . . . . A 254 LEU N . 25602 1 194 . 1 1 46 46 GLN H H 1 8.158 0.010 . . . . . A 255 GLN H . 25602 1 195 . 1 1 46 46 GLN C C 13 176.052 0.016 . . . . . A 255 GLN C . 25602 1 196 . 1 1 46 46 GLN CA C 13 55.779 0.006 . . . . . A 255 GLN CA . 25602 1 197 . 1 1 46 46 GLN CB C 13 25.056 0.004 . . . . . A 255 GLN CB . 25602 1 198 . 1 1 46 46 GLN N N 15 117.933 0.044 . . . . . A 255 GLN N . 25602 1 199 . 1 1 47 47 GLU H H 1 8.216 0.014 . . . . . A 256 GLU H . 25602 1 200 . 1 1 47 47 GLU C C 13 177.433 0.020 . . . . . A 256 GLU C . 25602 1 201 . 1 1 47 47 GLU CA C 13 55.639 0.047 . . . . . A 256 GLU CA . 25602 1 202 . 1 1 47 47 GLU CB C 13 26.331 0.055 . . . . . A 256 GLU CB . 25602 1 203 . 1 1 47 47 GLU N N 15 120.823 0.053 . . . . . A 256 GLU N . 25602 1 204 . 1 1 48 48 LEU H H 1 9.221 0.004 . . . . . A 257 LEU H . 25602 1 205 . 1 1 48 48 LEU C C 13 175.261 0.018 . . . . . A 257 LEU C . 25602 1 206 . 1 1 48 48 LEU CA C 13 55.548 0.115 . . . . . A 257 LEU CA . 25602 1 207 . 1 1 48 48 LEU CB C 13 39.017 0.046 . . . . . A 257 LEU CB . 25602 1 208 . 1 1 48 48 LEU N N 15 123.818 0.082 . . . . . A 257 LEU N . 25602 1 209 . 1 1 49 49 ASN H H 1 8.840 0.006 . . . . . A 258 ASN H . 25602 1 210 . 1 1 49 49 ASN C C 13 173.052 0.020 . . . . . A 258 ASN C . 25602 1 211 . 1 1 49 49 ASN CA C 13 55.145 0.097 . . . . . A 258 ASN CA . 25602 1 212 . 1 1 49 49 ASN CB C 13 35.879 0.100 . . . . . A 258 ASN CB . 25602 1 213 . 1 1 49 49 ASN N N 15 119.504 0.103 . . . . . A 258 ASN N . 25602 1 214 . 1 1 50 50 ARG H H 1 8.217 0.005 . . . . . A 259 ARG H . 25602 1 215 . 1 1 50 50 ARG C C 13 176.967 0.040 . . . . . A 259 ARG C . 25602 1 216 . 1 1 50 50 ARG CA C 13 57.059 0.040 . . . . . A 259 ARG CA . 25602 1 217 . 1 1 50 50 ARG CB C 13 27.532 0.087 . . . . . A 259 ARG CB . 25602 1 218 . 1 1 50 50 ARG N N 15 117.032 0.035 . . . . . A 259 ARG N . 25602 1 219 . 1 1 51 51 THR H H 1 8.516 0.019 . . . . . A 260 THR H . 25602 1 220 . 1 1 51 51 THR C C 13 174.260 0.004 . . . . . A 260 THR C . 25602 1 221 . 1 1 51 51 THR CA C 13 63.942 0.012 . . . . . A 260 THR CA . 25602 1 222 . 1 1 51 51 THR CB C 13 66.428 0.012 . . . . . A 260 THR CB . 25602 1 223 . 1 1 51 51 THR N N 15 116.860 0.085 . . . . . A 260 THR N . 25602 1 224 . 1 1 52 52 CYS H H 1 9.419 0.005 . . . . . A 261 CYS H . 25602 1 225 . 1 1 52 52 CYS C C 13 174.424 0.027 . . . . . A 261 CYS C . 25602 1 226 . 1 1 52 52 CYS CA C 13 61.954 0.012 . . . . . A 261 CYS CA . 25602 1 227 . 1 1 52 52 CYS CB C 13 23.613 0.083 . . . . . A 261 CYS CB . 25602 1 228 . 1 1 52 52 CYS N N 15 119.944 0.075 . . . . . A 261 CYS N . 25602 1 229 . 1 1 53 53 ARG H H 1 8.858 0.016 . . . . . A 262 ARG H . 25602 1 230 . 1 1 53 53 ARG C C 13 176.031 0.027 . . . . . A 262 ARG C . 25602 1 231 . 1 1 53 53 ARG CA C 13 56.406 0.039 . . . . . A 262 ARG CA . 25602 1 232 . 1 1 53 53 ARG CB C 13 26.096 0.062 . . . . . A 262 ARG CB . 25602 1 233 . 1 1 53 53 ARG N N 15 122.987 0.060 . . . . . A 262 ARG N . 25602 1 234 . 1 1 54 54 ALA H H 1 7.541 0.005 . . . . . A 263 ALA H . 25602 1 235 . 1 1 54 54 ALA C C 13 178.320 0.003 . . . . . A 263 ALA C . 25602 1 236 . 1 1 54 54 ALA CA C 13 52.209 0.037 . . . . . A 263 ALA CA . 25602 1 237 . 1 1 54 54 ALA CB C 13 14.774 0.019 . . . . . A 263 ALA CB . 25602 1 238 . 1 1 54 54 ALA N N 15 124.452 0.170 . . . . . A 263 ALA N . 25602 1 239 . 1 1 55 55 MET H H 1 9.019 0.008 . . . . . A 264 MET H . 25602 1 240 . 1 1 55 55 MET C C 13 174.346 0.009 . . . . . A 264 MET C . 25602 1 241 . 1 1 55 55 MET CA C 13 57.217 0.059 . . . . . A 264 MET CA . 25602 1 242 . 1 1 55 55 MET CB C 13 29.131 0.035 . . . . . A 264 MET CB . 25602 1 243 . 1 1 55 55 MET N N 15 118.621 0.100 . . . . . A 264 MET N . 25602 1 244 . 1 1 56 56 GLN H H 1 9.002 0.007 . . . . . A 265 GLN H . 25602 1 245 . 1 1 56 56 GLN C C 13 173.685 0.020 . . . . . A 265 GLN C . 25602 1 246 . 1 1 56 56 GLN CA C 13 56.680 0.110 . . . . . A 265 GLN CA . 25602 1 247 . 1 1 56 56 GLN CB C 13 25.289 0.061 . . . . . A 265 GLN CB . 25602 1 248 . 1 1 56 56 GLN N N 15 119.286 0.101 . . . . . A 265 GLN N . 25602 1 249 . 1 1 57 57 GLN H H 1 7.659 0.006 . . . . . A 266 GLN H . 25602 1 250 . 1 1 57 57 GLN C C 13 175.243 0.024 . . . . . A 266 GLN C . 25602 1 251 . 1 1 57 57 GLN CA C 13 56.238 0.052 . . . . . A 266 GLN CA . 25602 1 252 . 1 1 57 57 GLN CB C 13 24.736 0.098 . . . . . A 266 GLN CB . 25602 1 253 . 1 1 57 57 GLN N N 15 117.191 0.088 . . . . . A 266 GLN N . 25602 1 254 . 1 1 58 58 ARG H H 1 7.364 0.008 . . . . . A 267 ARG H . 25602 1 255 . 1 1 58 58 ARG C C 13 176.405 0.021 . . . . . A 267 ARG C . 25602 1 256 . 1 1 58 58 ARG CA C 13 55.376 0.065 . . . . . A 267 ARG CA . 25602 1 257 . 1 1 58 58 ARG CB C 13 26.969 0.067 . . . . . A 267 ARG CB . 25602 1 258 . 1 1 58 58 ARG N N 15 115.138 0.066 . . . . . A 267 ARG N . 25602 1 259 . 1 1 59 59 VAL H H 1 8.437 0.007 . . . . . A 268 VAL H . 25602 1 260 . 1 1 59 59 VAL C C 13 173.947 0.000 . . . . . A 268 VAL C . 25602 1 261 . 1 1 59 59 VAL CA C 13 64.595 0.063 . . . . . A 268 VAL CA . 25602 1 262 . 1 1 59 59 VAL CB C 13 28.647 0.020 . . . . . A 268 VAL CB . 25602 1 263 . 1 1 59 59 VAL N N 15 122.369 0.074 . . . . . A 268 VAL N . 25602 1 264 . 1 1 60 60 LEU H H 1 8.467 0.006 . . . . . A 269 LEU H . 25602 1 265 . 1 1 60 60 LEU C C 13 177.233 0.018 . . . . . A 269 LEU C . 25602 1 266 . 1 1 60 60 LEU CA C 13 54.760 0.030 . . . . . A 269 LEU CA . 25602 1 267 . 1 1 60 60 LEU CB C 13 38.563 0.060 . . . . . A 269 LEU CB . 25602 1 268 . 1 1 60 60 LEU N N 15 117.363 0.046 . . . . . A 269 LEU N . 25602 1 269 . 1 1 61 61 GLU H H 1 7.785 0.008 . . . . . A 270 GLU H . 25602 1 270 . 1 1 61 61 GLU C C 13 175.279 0.005 . . . . . A 270 GLU C . 25602 1 271 . 1 1 61 61 GLU CA C 13 55.082 0.065 . . . . . A 270 GLU CA . 25602 1 272 . 1 1 61 61 GLU CB C 13 27.296 0.076 . . . . . A 270 GLU CB . 25602 1 273 . 1 1 61 61 GLU N N 15 116.861 0.051 . . . . . A 270 GLU N . 25602 1 274 . 1 1 62 62 LEU H H 1 7.873 0.006 . . . . . A 271 LEU H . 25602 1 275 . 1 1 62 62 LEU C C 13 175.019 0.002 . . . . . A 271 LEU C . 25602 1 276 . 1 1 62 62 LEU CA C 13 53.793 0.047 . . . . . A 271 LEU CA . 25602 1 277 . 1 1 62 62 LEU CB C 13 39.961 0.015 . . . . . A 271 LEU CB . 25602 1 278 . 1 1 62 62 LEU N N 15 121.119 0.030 . . . . . A 271 LEU N . 25602 1 279 . 1 1 63 63 ILE H H 1 7.517 0.006 . . . . . A 272 ILE H . 25602 1 280 . 1 1 63 63 ILE C C 13 171.912 0.000 . . . . . A 272 ILE C . 25602 1 281 . 1 1 63 63 ILE CA C 13 65.106 0.000 . . . . . A 272 ILE CA . 25602 1 282 . 1 1 63 63 ILE CB C 13 33.960 0.000 . . . . . A 272 ILE CB . 25602 1 283 . 1 1 63 63 ILE N N 15 116.835 0.032 . . . . . A 272 ILE N . 25602 1 284 . 1 1 64 64 PRO C C 13 174.358 0.001 . . . . . A 273 PRO C . 25602 1 285 . 1 1 64 64 PRO CA C 13 61.682 0.000 . . . . . A 273 PRO CA . 25602 1 286 . 1 1 64 64 PRO CB C 13 28.405 0.000 . . . . . A 273 PRO CB . 25602 1 287 . 1 1 65 65 GLN H H 1 7.970 0.004 . . . . . A 274 GLN H . 25602 1 288 . 1 1 65 65 GLN C C 13 172.799 0.019 . . . . . A 274 GLN C . 25602 1 289 . 1 1 65 65 GLN CA C 13 52.980 0.050 . . . . . A 274 GLN CA . 25602 1 290 . 1 1 65 65 GLN CB C 13 27.888 0.170 . . . . . A 274 GLN CB . 25602 1 291 . 1 1 65 65 GLN N N 15 113.973 0.081 . . . . . A 274 GLN N . 25602 1 292 . 1 1 66 66 ILE H H 1 7.324 0.009 . . . . . A 275 ILE H . 25602 1 293 . 1 1 66 66 ILE C C 13 171.154 0.000 . . . . . A 275 ILE C . 25602 1 294 . 1 1 66 66 ILE CB C 13 35.427 0.000 . . . . . A 275 ILE CB . 25602 1 295 . 1 1 66 66 ILE N N 15 117.568 0.154 . . . . . A 275 ILE N . 25602 1 296 . 1 1 70 70 GLN C C 13 175.243 0.000 . . . . . A 279 GLN C . 25602 1 297 . 1 1 70 70 GLN CB C 13 24.649 0.000 . . . . . A 279 GLN CB . 25602 1 298 . 1 1 71 71 LEU H H 1 8.403 0.003 . . . . . A 280 LEU H . 25602 1 299 . 1 1 71 71 LEU CA C 13 53.856 0.000 . . . . . A 280 LEU CA . 25602 1 300 . 1 1 71 71 LEU CB C 13 38.819 0.000 . . . . . A 280 LEU CB . 25602 1 301 . 1 1 71 71 LEU N N 15 119.791 0.114 . . . . . A 280 LEU N . 25602 1 302 . 1 1 72 72 THR C C 13 172.098 0.000 . . . . . A 281 THR C . 25602 1 303 . 1 1 72 72 THR CA C 13 65.090 0.000 . . . . . A 281 THR CA . 25602 1 304 . 1 1 73 73 GLU H H 1 7.694 0.010 . . . . . A 282 GLU H . 25602 1 305 . 1 1 73 73 GLU C C 13 175.603 0.030 . . . . . A 282 GLU C . 25602 1 306 . 1 1 73 73 GLU CA C 13 56.717 0.058 . . . . . A 282 GLU CA . 25602 1 307 . 1 1 73 73 GLU CB C 13 25.944 0.095 . . . . . A 282 GLU CB . 25602 1 308 . 1 1 73 73 GLU N N 15 119.449 0.116 . . . . . A 282 GLU N . 25602 1 309 . 1 1 74 74 GLU H H 1 7.737 0.004 . . . . . A 283 GLU H . 25602 1 310 . 1 1 74 74 GLU C C 13 176.332 0.000 . . . . . A 283 GLU C . 25602 1 311 . 1 1 74 74 GLU CA C 13 56.514 0.007 . . . . . A 283 GLU CA . 25602 1 312 . 1 1 74 74 GLU CB C 13 26.038 0.062 . . . . . A 283 GLU CB . 25602 1 313 . 1 1 74 74 GLU N N 15 118.293 0.101 . . . . . A 283 GLU N . 25602 1 314 . 1 1 75 75 LEU H H 1 8.517 0.013 . . . . . A 284 LEU H . 25602 1 315 . 1 1 75 75 LEU C C 13 175.288 0.016 . . . . . A 284 LEU C . 25602 1 316 . 1 1 75 75 LEU CA C 13 55.205 0.008 . . . . . A 284 LEU CA . 25602 1 317 . 1 1 75 75 LEU CB C 13 38.787 0.016 . . . . . A 284 LEU CB . 25602 1 318 . 1 1 75 75 LEU N N 15 120.001 0.047 . . . . . A 284 LEU N . 25602 1 319 . 1 1 76 76 LEU H H 1 8.235 0.013 . . . . . A 285 LEU H . 25602 1 320 . 1 1 76 76 LEU C C 13 177.226 0.010 . . . . . A 285 LEU C . 25602 1 321 . 1 1 76 76 LEU CA C 13 55.113 0.063 . . . . . A 285 LEU CA . 25602 1 322 . 1 1 76 76 LEU CB C 13 38.109 0.084 . . . . . A 285 LEU CB . 25602 1 323 . 1 1 76 76 LEU N N 15 119.212 0.044 . . . . . A 285 LEU N . 25602 1 324 . 1 1 77 77 ILE H H 1 7.897 0.008 . . . . . A 286 ILE H . 25602 1 325 . 1 1 77 77 ILE C C 13 175.258 0.015 . . . . . A 286 ILE C . 25602 1 326 . 1 1 77 77 ILE CA C 13 61.672 0.039 . . . . . A 286 ILE CA . 25602 1 327 . 1 1 77 77 ILE CB C 13 35.367 0.062 . . . . . A 286 ILE CB . 25602 1 328 . 1 1 77 77 ILE N N 15 121.614 0.085 . . . . . A 286 ILE N . 25602 1 329 . 1 1 78 78 VAL H H 1 8.074 0.014 . . . . . A 287 VAL H . 25602 1 330 . 1 1 78 78 VAL C C 13 175.059 0.045 . . . . . A 287 VAL C . 25602 1 331 . 1 1 78 78 VAL CA C 13 63.791 0.015 . . . . . A 287 VAL CA . 25602 1 332 . 1 1 78 78 VAL CB C 13 28.050 0.039 . . . . . A 287 VAL CB . 25602 1 333 . 1 1 78 78 VAL N N 15 120.630 0.080 . . . . . A 287 VAL N . 25602 1 334 . 1 1 79 79 ASN H H 1 8.593 0.007 . . . . . A 288 ASN H . 25602 1 335 . 1 1 79 79 ASN C C 13 173.553 0.013 . . . . . A 288 ASN C . 25602 1 336 . 1 1 79 79 ASN CA C 13 54.660 0.031 . . . . . A 288 ASN CA . 25602 1 337 . 1 1 79 79 ASN CB C 13 35.868 0.047 . . . . . A 288 ASN CB . 25602 1 338 . 1 1 79 79 ASN N N 15 118.024 0.082 . . . . . A 288 ASN N . 25602 1 339 . 1 1 80 80 ASP H H 1 8.089 0.004 . . . . . A 289 ASP H . 25602 1 340 . 1 1 80 80 ASP C C 13 175.722 0.008 . . . . . A 289 ASP C . 25602 1 341 . 1 1 80 80 ASP CA C 13 54.534 0.064 . . . . . A 289 ASP CA . 25602 1 342 . 1 1 80 80 ASP CB C 13 37.273 0.000 . . . . . A 289 ASP CB . 25602 1 343 . 1 1 80 80 ASP N N 15 119.461 0.077 . . . . . A 289 ASP N . 25602 1 344 . 1 1 81 81 ASN H H 1 8.527 0.008 . . . . . A 290 ASN H . 25602 1 345 . 1 1 81 81 ASN C C 13 175.732 0.013 . . . . . A 290 ASN C . 25602 1 346 . 1 1 81 81 ASN CA C 13 52.586 0.008 . . . . . A 290 ASN CA . 25602 1 347 . 1 1 81 81 ASN CB C 13 34.256 0.102 . . . . . A 290 ASN CB . 25602 1 348 . 1 1 81 81 ASN N N 15 120.079 0.055 . . . . . A 290 ASN N . 25602 1 349 . 1 1 82 82 LEU H H 1 8.727 0.005 . . . . . A 291 LEU H . 25602 1 350 . 1 1 82 82 LEU C C 13 172.549 0.014 . . . . . A 291 LEU C . 25602 1 351 . 1 1 82 82 LEU CA C 13 54.337 0.079 . . . . . A 291 LEU CA . 25602 1 352 . 1 1 82 82 LEU CB C 13 37.917 0.088 . . . . . A 291 LEU CB . 25602 1 353 . 1 1 82 82 LEU N N 15 123.651 0.087 . . . . . A 291 LEU N . 25602 1 354 . 1 1 83 83 ASN H H 1 8.188 0.009 . . . . . A 292 ASN H . 25602 1 355 . 1 1 83 83 ASN C C 13 175.649 0.029 . . . . . A 292 ASN C . 25602 1 356 . 1 1 83 83 ASN CA C 13 53.454 0.135 . . . . . A 292 ASN CA . 25602 1 357 . 1 1 83 83 ASN CB C 13 34.488 0.042 . . . . . A 292 ASN CB . 25602 1 358 . 1 1 83 83 ASN N N 15 115.787 0.072 . . . . . A 292 ASN N . 25602 1 359 . 1 1 84 84 ASN H H 1 8.170 0.005 . . . . . A 293 ASN H . 25602 1 360 . 1 1 84 84 ASN C C 13 174.770 0.016 . . . . . A 293 ASN C . 25602 1 361 . 1 1 84 84 ASN CA C 13 53.773 0.075 . . . . . A 293 ASN CA . 25602 1 362 . 1 1 84 84 ASN CB C 13 35.711 0.032 . . . . . A 293 ASN CB . 25602 1 363 . 1 1 84 84 ASN N N 15 117.369 0.073 . . . . . A 293 ASN N . 25602 1 364 . 1 1 85 85 VAL H H 1 7.971 0.008 . . . . . A 294 VAL H . 25602 1 365 . 1 1 85 85 VAL C C 13 175.183 0.021 . . . . . A 294 VAL C . 25602 1 366 . 1 1 85 85 VAL CA C 13 62.763 0.029 . . . . . A 294 VAL CA . 25602 1 367 . 1 1 85 85 VAL CB C 13 28.450 0.131 . . . . . A 294 VAL CB . 25602 1 368 . 1 1 85 85 VAL N N 15 119.429 0.076 . . . . . A 294 VAL N . 25602 1 369 . 1 1 86 86 PHE H H 1 8.283 0.005 . . . . . A 295 PHE H . 25602 1 370 . 1 1 86 86 PHE C C 13 176.583 0.013 . . . . . A 295 PHE C . 25602 1 371 . 1 1 86 86 PHE CA C 13 55.778 0.133 . . . . . A 295 PHE CA . 25602 1 372 . 1 1 86 86 PHE CB C 13 33.736 0.109 . . . . . A 295 PHE CB . 25602 1 373 . 1 1 86 86 PHE N N 15 122.716 0.107 . . . . . A 295 PHE N . 25602 1 374 . 1 1 87 87 LEU H H 1 7.967 0.005 . . . . . A 296 LEU H . 25602 1 375 . 1 1 87 87 LEU C C 13 177.263 0.032 . . . . . A 296 LEU C . 25602 1 376 . 1 1 87 87 LEU CA C 13 55.294 0.063 . . . . . A 296 LEU CA . 25602 1 377 . 1 1 87 87 LEU CB C 13 38.616 0.076 . . . . . A 296 LEU CB . 25602 1 378 . 1 1 87 87 LEU N N 15 122.248 0.123 . . . . . A 296 LEU N . 25602 1 379 . 1 1 88 88 ARG H H 1 7.904 0.005 . . . . . A 297 ARG H . 25602 1 380 . 1 1 88 88 ARG C C 13 176.485 0.010 . . . . . A 297 ARG C . 25602 1 381 . 1 1 88 88 ARG CA C 13 56.596 0.049 . . . . . A 297 ARG CA . 25602 1 382 . 1 1 88 88 ARG CB C 13 27.926 0.136 . . . . . A 297 ARG CB . 25602 1 383 . 1 1 88 88 ARG N N 15 118.949 0.080 . . . . . A 297 ARG N . 25602 1 384 . 1 1 89 89 HIS H H 1 9.171 0.003 . . . . . A 298 HIS H . 25602 1 385 . 1 1 89 89 HIS C C 13 173.310 0.060 . . . . . A 298 HIS C . 25602 1 386 . 1 1 89 89 HIS CA C 13 56.693 0.113 . . . . . A 298 HIS CA . 25602 1 387 . 1 1 89 89 HIS CB C 13 27.855 0.190 . . . . . A 298 HIS CB . 25602 1 388 . 1 1 89 89 HIS N N 15 123.600 0.133 . . . . . A 298 HIS N . 25602 1 389 . 1 1 90 90 GLU H H 1 8.438 0.004 . . . . . A 299 GLU H . 25602 1 390 . 1 1 90 90 GLU C C 13 176.248 0.031 . . . . . A 299 GLU C . 25602 1 391 . 1 1 90 90 GLU CA C 13 56.660 0.019 . . . . . A 299 GLU CA . 25602 1 392 . 1 1 90 90 GLU CB C 13 25.956 0.050 . . . . . A 299 GLU CB . 25602 1 393 . 1 1 90 90 GLU N N 15 120.562 0.051 . . . . . A 299 GLU N . 25602 1 394 . 1 1 91 91 ARG H H 1 7.625 0.005 . . . . . A 300 ARG H . 25602 1 395 . 1 1 91 91 ARG C C 13 174.233 0.003 . . . . . A 300 ARG C . 25602 1 396 . 1 1 91 91 ARG CA C 13 56.507 0.073 . . . . . A 300 ARG CA . 25602 1 397 . 1 1 91 91 ARG CB C 13 26.951 0.067 . . . . . A 300 ARG CB . 25602 1 398 . 1 1 91 91 ARG N N 15 118.855 0.078 . . . . . A 300 ARG N . 25602 1 399 . 1 1 92 92 PHE H H 1 8.105 0.007 . . . . . A 301 PHE H . 25602 1 400 . 1 1 92 92 PHE C C 13 174.033 0.007 . . . . . A 301 PHE C . 25602 1 401 . 1 1 92 92 PHE CA C 13 58.511 0.072 . . . . . A 301 PHE CA . 25602 1 402 . 1 1 92 92 PHE CB C 13 37.233 0.055 . . . . . A 301 PHE CB . 25602 1 403 . 1 1 92 92 PHE N N 15 121.788 0.096 . . . . . A 301 PHE N . 25602 1 404 . 1 1 93 93 GLU H H 1 8.614 0.021 . . . . . A 302 GLU H . 25602 1 405 . 1 1 93 93 GLU C C 13 176.598 0.046 . . . . . A 302 GLU C . 25602 1 406 . 1 1 93 93 GLU CA C 13 55.181 0.078 . . . . . A 302 GLU CA . 25602 1 407 . 1 1 93 93 GLU CB C 13 27.261 0.182 . . . . . A 302 GLU CB . 25602 1 408 . 1 1 93 93 GLU N N 15 118.112 0.100 . . . . . A 302 GLU N . 25602 1 409 . 1 1 94 94 ARG H H 1 8.012 0.010 . . . . . A 303 ARG H . 25602 1 410 . 1 1 94 94 ARG C C 13 175.930 0.007 . . . . . A 303 ARG C . 25602 1 411 . 1 1 94 94 ARG CA C 13 56.460 0.015 . . . . . A 303 ARG CA . 25602 1 412 . 1 1 94 94 ARG CB C 13 26.617 0.117 . . . . . A 303 ARG CB . 25602 1 413 . 1 1 94 94 ARG N N 15 121.081 0.098 . . . . . A 303 ARG N . 25602 1 414 . 1 1 95 95 PHE H H 1 8.012 0.010 . . . . . A 304 PHE H . 25602 1 415 . 1 1 95 95 PHE C C 13 175.389 0.037 . . . . . A 304 PHE C . 25602 1 416 . 1 1 95 95 PHE CA C 13 56.578 0.072 . . . . . A 304 PHE CA . 25602 1 417 . 1 1 95 95 PHE CB C 13 35.585 0.047 . . . . . A 304 PHE CB . 25602 1 418 . 1 1 95 95 PHE N N 15 118.594 0.054 . . . . . A 304 PHE N . 25602 1 419 . 1 1 96 96 ARG H H 1 8.398 0.019 . . . . . A 305 ARG H . 25602 1 420 . 1 1 96 96 ARG C C 13 174.217 0.015 . . . . . A 305 ARG C . 25602 1 421 . 1 1 96 96 ARG CA C 13 56.212 0.058 . . . . . A 305 ARG CA . 25602 1 422 . 1 1 96 96 ARG CB C 13 28.037 0.127 . . . . . A 305 ARG CB . 25602 1 423 . 1 1 96 96 ARG N N 15 119.679 0.069 . . . . . A 305 ARG N . 25602 1 424 . 1 1 97 97 THR H H 1 7.861 0.007 . . . . . A 306 THR H . 25602 1 425 . 1 1 97 97 THR C C 13 172.481 0.021 . . . . . A 306 THR C . 25602 1 426 . 1 1 97 97 THR CA C 13 58.879 0.041 . . . . . A 306 THR CA . 25602 1 427 . 1 1 97 97 THR CB C 13 66.999 0.046 . . . . . A 306 THR CB . 25602 1 428 . 1 1 97 97 THR N N 15 106.943 0.045 . . . . . A 306 THR N . 25602 1 429 . 1 1 98 98 GLY H H 1 7.812 0.005 . . . . . A 307 GLY H . 25602 1 430 . 1 1 98 98 GLY CA C 13 42.848 0.049 . . . . . A 307 GLY CA . 25602 1 431 . 1 1 98 98 GLY N N 15 110.589 0.066 . . . . . A 307 GLY N . 25602 1 432 . 1 1 99 99 GLN H H 1 8.107 0.003 . . . . . A 308 GLN H . 25602 1 433 . 1 1 99 99 GLN CA C 13 52.420 0.000 . . . . . A 308 GLN CA . 25602 1 434 . 1 1 99 99 GLN CB C 13 26.559 0.016 . . . . . A 308 GLN CB . 25602 1 435 . 1 1 99 99 GLN N N 15 120.087 0.036 . . . . . A 308 GLN N . 25602 1 436 . 1 1 100 100 THR H H 1 7.776 0.003 . . . . . A 309 THR H . 25602 1 437 . 1 1 100 100 THR N N 15 119.818 0.025 . . . . . A 309 THR N . 25602 1 stop_ save_