data_30672 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30672 _Entry.Title ; SMARCB1 nucleosome-interacting C-terminal alpha helix ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-09-16 _Entry.Accession_date 2019-09-16 _Entry.Last_release_date 2019-10-01 _Entry.Original_release_date 2019-10-01 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30672 stop_ 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 A. Valencia A. M. . . 30672 2 Z. Sun Z. Y.J. . . 30672 3 H. Seo H. S. . . 30672 4 N. Mashtalir N. . . . 30672 5 S. Dhe-Paganon S. . . . 30672 6 C. Kadoch C. . . . 30672 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Alpha Helix' . 30672 'Arginine cluster' . 30672 'BAF complex' . 30672 BAF47 . 30672 'Chromatin Remodeling' . 30672 'NUCLEAR PROTEIN' . 30672 'Nucleosome Binding' . 30672 'Positive charge cluster' . 30672 SMARCB1 . 30672 'mSWI-SNF complex' . 30672 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30672 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 172 30672 '15N chemical shifts' 41 30672 '1H chemical shifts' 282 30672 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 . . 2019-11-22 . original BMRB . 30672 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6UCH . 30672 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30672 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; SMARCB1 nucleosome-interacting C-terminal alpha helix ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 A. Valencia A. M. . . 30672 1 2 Z. Sun Z. Y.J. . . 30672 1 3 H. Seo H. S. . . 30672 1 4 N. Mashtalir N. . . . 30672 1 5 S. Dhe-Paganon S. . . . 30672 1 6 C. Kadoch C. . . . 30672 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30672 _Assembly.ID 1 _Assembly.Name 'SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1' _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 entity_1 1 $entity_1 A A yes . . . . . . 30672 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30672 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLGSMPLLETLTDAEMEKK IRDQDRNTRRMRRLANTAPA W ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 41 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4748.473 _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 BAF47 na 30672 1 'BRG1-associated factor 47' na 30672 1 'Integrase interactor 1 protein' na 30672 1 'SNF5 homolog' na 30672 1 hSNF5 na 30672 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 1 345 GLY . 30672 1 2 346 PRO . 30672 1 3 347 LEU . 30672 1 4 348 GLY . 30672 1 5 349 SER . 30672 1 6 350 MET . 30672 1 7 351 PRO . 30672 1 8 352 LEU . 30672 1 9 353 LEU . 30672 1 10 354 GLU . 30672 1 11 355 THR . 30672 1 12 356 LEU . 30672 1 13 357 THR . 30672 1 14 358 ASP . 30672 1 15 359 ALA . 30672 1 16 360 GLU . 30672 1 17 361 MET . 30672 1 18 362 GLU . 30672 1 19 363 LYS . 30672 1 20 364 LYS . 30672 1 21 365 ILE . 30672 1 22 366 ARG . 30672 1 23 367 ASP . 30672 1 24 368 GLN . 30672 1 25 369 ASP . 30672 1 26 370 ARG . 30672 1 27 371 ASN . 30672 1 28 372 THR . 30672 1 29 373 ARG . 30672 1 30 374 ARG . 30672 1 31 375 MET . 30672 1 32 376 ARG . 30672 1 33 377 ARG . 30672 1 34 378 LEU . 30672 1 35 379 ALA . 30672 1 36 380 ASN . 30672 1 37 381 THR . 30672 1 38 382 ALA . 30672 1 39 383 PRO . 30672 1 40 384 ALA . 30672 1 41 385 TRP . 30672 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 30672 1 . PRO 2 2 30672 1 . LEU 3 3 30672 1 . GLY 4 4 30672 1 . SER 5 5 30672 1 . MET 6 6 30672 1 . PRO 7 7 30672 1 . LEU 8 8 30672 1 . LEU 9 9 30672 1 . GLU 10 10 30672 1 . THR 11 11 30672 1 . LEU 12 12 30672 1 . THR 13 13 30672 1 . ASP 14 14 30672 1 . ALA 15 15 30672 1 . GLU 16 16 30672 1 . MET 17 17 30672 1 . GLU 18 18 30672 1 . LYS 19 19 30672 1 . LYS 20 20 30672 1 . ILE 21 21 30672 1 . ARG 22 22 30672 1 . ASP 23 23 30672 1 . GLN 24 24 30672 1 . ASP 25 25 30672 1 . ARG 26 26 30672 1 . ASN 27 27 30672 1 . THR 28 28 30672 1 . ARG 29 29 30672 1 . ARG 30 30 30672 1 . MET 31 31 30672 1 . ARG 32 32 30672 1 . ARG 33 33 30672 1 . LEU 34 34 30672 1 . ALA 35 35 30672 1 . ASN 36 36 30672 1 . THR 37 37 30672 1 . ALA 38 38 30672 1 . PRO 39 39 30672 1 . ALA 40 40 30672 1 . TRP 41 41 30672 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 30672 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'SMARCB1, BAF47, INI1, SNF5L1' . 30672 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 30672 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . . . . . . . . . . 30672 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30672 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '300 uM [U-100% 13C; U-100% 15N] SMARCB1CC, 137 mM NaCl, 2.7 mM potassium chloride, 10 mM Na2HPO4, 1.8 mM KH2PO4, 90% H2O/10% D2O' _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 SMARCB1CC '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 300 . . uM . . . . 30672 1 2 NaCl 'natural abundance' . . . . . . 137 . . mM . . . . 30672 1 3 'potassium chloride' 'natural abundance' . . . . . . 2.7 . . mM . . . . 30672 1 4 Na2HPO4 'natural abundance' . . . . . . 10 . . mM . . . . 30672 1 5 KH2PO4 'natural abundance' . . . . . . 1.8 . . mM . . . . 30672 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30672 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '230 uM SMARCB1CC, 137 mM NaCl, 2.7 mM potassium chloride, 10 mM Na2HPO4, 1.8 mM KH2PO4, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 SMARCB1CC 'natural abundance' . . 1 $entity_1 . . 230 . . uM . . . . 30672 2 2 NaCl 'natural abundance' . . . . . . 137 . . mM . . . . 30672 2 3 'potassium chloride' 'natural abundance' . . . . . . 2.7 . . mM . . . . 30672 2 4 Na2HPO4 'natural abundance' . . . . . . 10 . . mM . . . . 30672 2 5 KH2PO4 'natural abundance' . . . . . . 1.8 . . mM . . . . 30672 2 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 30672 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 30672 1 pH 6.5 . pH 30672 1 pressure 1 . atm 30672 1 temperature 288 . K 30672 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30672 _Software.ID 1 _Software.Type . _Software.Name VNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 30672 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 30672 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30672 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30672 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 30672 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30672 _Software.ID 3 _Software.Type . _Software.Name hmsIST _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Hyberts and Wagner' . . 30672 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 30672 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30672 _Software.ID 4 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 30672 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 30672 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30672 _Software.ID 5 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30672 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 30672 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30672 _Software.ID 6 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 30672 6 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 30672 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30672 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'cryogenic probe' _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model DD2 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 30672 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Agilent DD2 . 700 . . . 30672 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 30672 _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 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30672 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30672 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30672 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30672 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30672 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30672 1 7 '2D TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30672 1 8 '2D NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30672 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30672 1 10 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30672 1 11 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30672 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30672 1 13 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30672 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30672 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30672 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30672 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30672 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30672 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCA' . . . 30672 1 2 '3D HNCACB' . . . 30672 1 3 '3D HNCO' . . . 30672 1 4 '3D HN(CO)CA' . . . 30672 1 5 '3D HN(CA)CO' . . . 30672 1 6 '3D C(CO)NH' . . . 30672 1 7 '2D TOCSY' . . . 30672 1 8 '2D NOESY' . . . 30672 1 9 '3D 1H-15N NOESY' . . . 30672 1 10 '3D H(CCO)NH' . . . 30672 1 11 '2D 1H-13C HSQC aliphatic' . . . 30672 1 12 '2D 1H-15N HSQC' . . . 30672 1 13 '2D 1H-13C HSQC aromatic' . . . 30672 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 4.001 0.000 . . . . . . A 345 GLY HA2 . 30672 1 2 . 1 1 1 1 GLY HA3 H 1 4.001 0.000 . . . . . . A 345 GLY HA3 . 30672 1 3 . 1 1 1 1 GLY CA C 13 43.463 0.000 . . . . . . A 345 GLY CA . 30672 1 4 . 1 1 2 2 PRO HA H 1 4.490 0.000 . . . . . . A 346 PRO HA . 30672 1 5 . 1 1 2 2 PRO HB2 H 1 2.338 0.000 . . . . . . A 346 PRO HB2 . 30672 1 6 . 1 1 2 2 PRO HB3 H 1 1.966 0.000 . . . . . . A 346 PRO HB3 . 30672 1 7 . 1 1 2 2 PRO HG2 H 1 2.033 0.000 . . . . . . A 346 PRO HG2 . 30672 1 8 . 1 1 2 2 PRO HG3 H 1 2.033 0.000 . . . . . . A 346 PRO HG3 . 30672 1 9 . 1 1 2 2 PRO HD2 H 1 3.592 0.000 . . . . . . A 346 PRO HD2 . 30672 1 10 . 1 1 2 2 PRO HD3 H 1 3.592 0.000 . . . . . . A 346 PRO HD3 . 30672 1 11 . 1 1 2 2 PRO C C 13 177.208 0.000 . . . . . . A 346 PRO C . 30672 1 12 . 1 1 2 2 PRO CA C 13 63.138 0.000 . . . . . . A 346 PRO CA . 30672 1 13 . 1 1 2 2 PRO CB C 13 32.450 0.000 . . . . . . A 346 PRO CB . 30672 1 14 . 1 1 2 2 PRO CG C 13 27.234 0.000 . . . . . . A 346 PRO CG . 30672 1 15 . 1 1 2 2 PRO CD C 13 49.741 0.000 . . . . . . A 346 PRO CD . 30672 1 16 . 1 1 3 3 LEU H H 1 8.642 0.000 . . . . . . A 347 LEU H . 30672 1 17 . 1 1 3 3 LEU HA H 1 4.361 0.000 . . . . . . A 347 LEU HA . 30672 1 18 . 1 1 3 3 LEU HB2 H 1 1.696 0.000 . . . . . . A 347 LEU HB2 . 30672 1 19 . 1 1 3 3 LEU HB3 H 1 1.627 0.000 . . . . . . A 347 LEU HB3 . 30672 1 20 . 1 1 3 3 LEU HD11 H 1 0.929 0.000 . . . . . . A 347 LEU HD11 . 30672 1 21 . 1 1 3 3 LEU HD12 H 1 0.929 0.000 . . . . . . A 347 LEU HD12 . 30672 1 22 . 1 1 3 3 LEU HD13 H 1 0.929 0.000 . . . . . . A 347 LEU HD13 . 30672 1 23 . 1 1 3 3 LEU HD21 H 1 0.879 0.000 . . . . . . A 347 LEU HD21 . 30672 1 24 . 1 1 3 3 LEU HD22 H 1 0.879 0.000 . . . . . . A 347 LEU HD22 . 30672 1 25 . 1 1 3 3 LEU HD23 H 1 0.879 0.000 . . . . . . A 347 LEU HD23 . 30672 1 26 . 1 1 3 3 LEU C C 13 178.125 0.000 . . . . . . A 347 LEU C . 30672 1 27 . 1 1 3 3 LEU CA C 13 55.592 0.000 . . . . . . A 347 LEU CA . 30672 1 28 . 1 1 3 3 LEU CB C 13 42.332 0.000 . . . . . . A 347 LEU CB . 30672 1 29 . 1 1 3 3 LEU CD1 C 13 25.426 0.000 . . . . . . A 347 LEU CD1 . 30672 1 30 . 1 1 3 3 LEU CD2 C 13 23.357 0.000 . . . . . . A 347 LEU CD2 . 30672 1 31 . 1 1 3 3 LEU N N 15 122.886 0.000 . . . . . . A 347 LEU N . 30672 1 32 . 1 1 4 4 GLY H H 1 8.519 0.000 . . . . . . A 348 GLY H . 30672 1 33 . 1 1 4 4 GLY HA2 H 1 3.991 0.000 . . . . . . A 348 GLY HA2 . 30672 1 34 . 1 1 4 4 GLY HA3 H 1 3.991 0.000 . . . . . . A 348 GLY HA3 . 30672 1 35 . 1 1 4 4 GLY C C 13 174.137 0.000 . . . . . . A 348 GLY C . 30672 1 36 . 1 1 4 4 GLY CA C 13 45.280 0.000 . . . . . . A 348 GLY CA . 30672 1 37 . 1 1 4 4 GLY N N 15 110.271 0.000 . . . . . . A 348 GLY N . 30672 1 38 . 1 1 5 5 SER H H 1 8.221 0.000 . . . . . . A 349 SER H . 30672 1 39 . 1 1 5 5 SER HA H 1 4.464 0.000 . . . . . . A 349 SER HA . 30672 1 40 . 1 1 5 5 SER HB2 H 1 3.855 0.000 . . . . . . A 349 SER HB2 . 30672 1 41 . 1 1 5 5 SER HB3 H 1 3.855 0.000 . . . . . . A 349 SER HB3 . 30672 1 42 . 1 1 5 5 SER C C 13 174.353 0.000 . . . . . . A 349 SER C . 30672 1 43 . 1 1 5 5 SER CA C 13 58.284 0.000 . . . . . . A 349 SER CA . 30672 1 44 . 1 1 5 5 SER CB C 13 64.017 0.000 . . . . . . A 349 SER CB . 30672 1 45 . 1 1 5 5 SER N N 15 115.543 0.000 . . . . . . A 349 SER N . 30672 1 46 . 1 1 6 6 MET H H 1 8.439 0.000 . . . . . . A 350 MET H . 30672 1 47 . 1 1 6 6 MET HA H 1 4.838 0.000 . . . . . . A 350 MET HA . 30672 1 48 . 1 1 6 6 MET HB2 H 1 2.102 0.000 . . . . . . A 350 MET HB2 . 30672 1 49 . 1 1 6 6 MET HB3 H 1 1.983 0.000 . . . . . . A 350 MET HB3 . 30672 1 50 . 1 1 6 6 MET HG2 H 1 2.660 0.000 . . . . . . A 350 MET HG2 . 30672 1 51 . 1 1 6 6 MET HG3 H 1 2.579 0.000 . . . . . . A 350 MET HG3 . 30672 1 52 . 1 1 6 6 MET C C 13 174.236 0.000 . . . . . . A 350 MET C . 30672 1 53 . 1 1 6 6 MET CA C 13 53.479 0.000 . . . . . . A 350 MET CA . 30672 1 54 . 1 1 6 6 MET CB C 13 32.336 0.000 . . . . . . A 350 MET CB . 30672 1 55 . 1 1 6 6 MET CG C 13 32.164 0.000 . . . . . . A 350 MET CG . 30672 1 56 . 1 1 6 6 MET N N 15 123.465 0.000 . . . . . . A 350 MET N . 30672 1 57 . 1 1 7 7 PRO HA H 1 4.406 0.000 . . . . . . A 351 PRO HA . 30672 1 58 . 1 1 7 7 PRO HB2 H 1 2.293 0.000 . . . . . . A 351 PRO HB2 . 30672 1 59 . 1 1 7 7 PRO HB3 H 1 1.869 0.000 . . . . . . A 351 PRO HB3 . 30672 1 60 . 1 1 7 7 PRO HG2 H 1 2.023 0.000 . . . . . . A 351 PRO HG2 . 30672 1 61 . 1 1 7 7 PRO HG3 H 1 2.023 0.000 . . . . . . A 351 PRO HG3 . 30672 1 62 . 1 1 7 7 PRO HD2 H 1 3.845 0.000 . . . . . . A 351 PRO HD2 . 30672 1 63 . 1 1 7 7 PRO HD3 H 1 3.700 0.000 . . . . . . A 351 PRO HD3 . 30672 1 64 . 1 1 7 7 PRO C C 13 176.698 0.000 . . . . . . A 351 PRO C . 30672 1 65 . 1 1 7 7 PRO CA C 13 63.142 0.000 . . . . . . A 351 PRO CA . 30672 1 66 . 1 1 7 7 PRO CB C 13 32.170 0.000 . . . . . . A 351 PRO CB . 30672 1 67 . 1 1 7 7 PRO CG C 13 27.435 0.000 . . . . . . A 351 PRO CG . 30672 1 68 . 1 1 7 7 PRO CD C 13 50.737 0.000 . . . . . . A 351 PRO CD . 30672 1 69 . 1 1 8 8 LEU H H 1 8.432 0.000 . . . . . . A 352 LEU H . 30672 1 70 . 1 1 8 8 LEU HA H 1 4.321 0.000 . . . . . . A 352 LEU HA . 30672 1 71 . 1 1 8 8 LEU HB2 H 1 1.651 0.000 . . . . . . A 352 LEU HB2 . 30672 1 72 . 1 1 8 8 LEU HB3 H 1 1.589 0.000 . . . . . . A 352 LEU HB3 . 30672 1 73 . 1 1 8 8 LEU HD11 H 1 0.943 0.000 . . . . . . A 352 LEU HD11 . 30672 1 74 . 1 1 8 8 LEU HD12 H 1 0.943 0.000 . . . . . . A 352 LEU HD12 . 30672 1 75 . 1 1 8 8 LEU HD13 H 1 0.943 0.000 . . . . . . A 352 LEU HD13 . 30672 1 76 . 1 1 8 8 LEU HD21 H 1 0.896 0.000 . . . . . . A 352 LEU HD21 . 30672 1 77 . 1 1 8 8 LEU HD22 H 1 0.896 0.000 . . . . . . A 352 LEU HD22 . 30672 1 78 . 1 1 8 8 LEU HD23 H 1 0.896 0.000 . . . . . . A 352 LEU HD23 . 30672 1 79 . 1 1 8 8 LEU C C 13 177.466 0.000 . . . . . . A 352 LEU C . 30672 1 80 . 1 1 8 8 LEU CA C 13 55.247 0.000 . . . . . . A 352 LEU CA . 30672 1 81 . 1 1 8 8 LEU CB C 13 42.324 0.000 . . . . . . A 352 LEU CB . 30672 1 82 . 1 1 8 8 LEU CD1 C 13 25.085 0.000 . . . . . . A 352 LEU CD1 . 30672 1 83 . 1 1 8 8 LEU CD2 C 13 23.734 0.000 . . . . . . A 352 LEU CD2 . 30672 1 84 . 1 1 8 8 LEU N N 15 122.707 0.000 . . . . . . A 352 LEU N . 30672 1 85 . 1 1 9 9 LEU H H 1 8.324 0.000 . . . . . . A 353 LEU H . 30672 1 86 . 1 1 9 9 LEU HA H 1 4.372 0.000 . . . . . . A 353 LEU HA . 30672 1 87 . 1 1 9 9 LEU HB2 H 1 1.647 0.000 . . . . . . A 353 LEU HB2 . 30672 1 88 . 1 1 9 9 LEU HB3 H 1 1.602 0.000 . . . . . . A 353 LEU HB3 . 30672 1 89 . 1 1 9 9 LEU HD11 H 1 0.935 0.000 . . . . . . A 353 LEU HD11 . 30672 1 90 . 1 1 9 9 LEU HD12 H 1 0.935 0.000 . . . . . . A 353 LEU HD12 . 30672 1 91 . 1 1 9 9 LEU HD13 H 1 0.935 0.000 . . . . . . A 353 LEU HD13 . 30672 1 92 . 1 1 9 9 LEU HD21 H 1 0.878 0.000 . . . . . . A 353 LEU HD21 . 30672 1 93 . 1 1 9 9 LEU HD22 H 1 0.878 0.000 . . . . . . A 353 LEU HD22 . 30672 1 94 . 1 1 9 9 LEU HD23 H 1 0.878 0.000 . . . . . . A 353 LEU HD23 . 30672 1 95 . 1 1 9 9 LEU C C 13 177.358 0.000 . . . . . . A 353 LEU C . 30672 1 96 . 1 1 9 9 LEU CA C 13 55.248 0.000 . . . . . . A 353 LEU CA . 30672 1 97 . 1 1 9 9 LEU CB C 13 42.372 0.000 . . . . . . A 353 LEU CB . 30672 1 98 . 1 1 9 9 LEU CD1 C 13 24.938 0.000 . . . . . . A 353 LEU CD1 . 30672 1 99 . 1 1 9 9 LEU CD2 C 13 23.635 0.000 . . . . . . A 353 LEU CD2 . 30672 1 100 . 1 1 9 9 LEU N N 15 123.788 0.000 . . . . . . A 353 LEU N . 30672 1 101 . 1 1 10 10 GLU H H 1 8.487 0.000 . . . . . . A 354 GLU H . 30672 1 102 . 1 1 10 10 GLU HA H 1 4.347 0.000 . . . . . . A 354 GLU HA . 30672 1 103 . 1 1 10 10 GLU HB2 H 1 2.055 0.000 . . . . . . A 354 GLU HB2 . 30672 1 104 . 1 1 10 10 GLU HB3 H 1 1.946 0.000 . . . . . . A 354 GLU HB3 . 30672 1 105 . 1 1 10 10 GLU HG2 H 1 2.271 0.000 . . . . . . A 354 GLU HG2 . 30672 1 106 . 1 1 10 10 GLU HG3 H 1 2.227 0.000 . . . . . . A 354 GLU HG3 . 30672 1 107 . 1 1 10 10 GLU C C 13 176.478 0.000 . . . . . . A 354 GLU C . 30672 1 108 . 1 1 10 10 GLU CA C 13 56.640 0.000 . . . . . . A 354 GLU CA . 30672 1 109 . 1 1 10 10 GLU CB C 13 30.505 0.000 . . . . . . A 354 GLU CB . 30672 1 110 . 1 1 10 10 GLU CG C 13 36.364 0.000 . . . . . . A 354 GLU CG . 30672 1 111 . 1 1 10 10 GLU N N 15 121.996 0.000 . . . . . . A 354 GLU N . 30672 1 112 . 1 1 11 11 THR H H 1 8.296 0.000 . . . . . . A 355 THR H . 30672 1 113 . 1 1 11 11 THR HA H 1 4.337 0.000 . . . . . . A 355 THR HA . 30672 1 114 . 1 1 11 11 THR HB H 1 4.192 0.000 . . . . . . A 355 THR HB . 30672 1 115 . 1 1 11 11 THR HG21 H 1 1.211 0.000 . . . . . . A 355 THR HG21 . 30672 1 116 . 1 1 11 11 THR HG22 H 1 1.211 0.000 . . . . . . A 355 THR HG22 . 30672 1 117 . 1 1 11 11 THR HG23 H 1 1.211 0.000 . . . . . . A 355 THR HG23 . 30672 1 118 . 1 1 11 11 THR C C 13 174.480 0.000 . . . . . . A 355 THR C . 30672 1 119 . 1 1 11 11 THR CA C 13 61.930 0.000 . . . . . . A 355 THR CA . 30672 1 120 . 1 1 11 11 THR CB C 13 69.927 0.000 . . . . . . A 355 THR CB . 30672 1 121 . 1 1 11 11 THR CG2 C 13 21.768 0.000 . . . . . . A 355 THR CG2 . 30672 1 122 . 1 1 11 11 THR N N 15 116.173 0.000 . . . . . . A 355 THR N . 30672 1 123 . 1 1 12 12 LEU H H 1 8.378 0.000 . . . . . . A 356 LEU H . 30672 1 124 . 1 1 12 12 LEU HA H 1 4.555 0.000 . . . . . . A 356 LEU HA . 30672 1 125 . 1 1 12 12 LEU HB2 H 1 1.698 0.000 . . . . . . A 356 LEU HB2 . 30672 1 126 . 1 1 12 12 LEU HB3 H 1 1.617 0.000 . . . . . . A 356 LEU HB3 . 30672 1 127 . 1 1 12 12 LEU HG H 1 1.621 0.000 . . . . . . A 356 LEU HG . 30672 1 128 . 1 1 12 12 LEU HD11 H 1 0.923 0.000 . . . . . . A 356 LEU HD11 . 30672 1 129 . 1 1 12 12 LEU HD12 H 1 0.923 0.000 . . . . . . A 356 LEU HD12 . 30672 1 130 . 1 1 12 12 LEU HD13 H 1 0.923 0.000 . . . . . . A 356 LEU HD13 . 30672 1 131 . 1 1 12 12 LEU HD21 H 1 0.867 0.000 . . . . . . A 356 LEU HD21 . 30672 1 132 . 1 1 12 12 LEU HD22 H 1 0.867 0.000 . . . . . . A 356 LEU HD22 . 30672 1 133 . 1 1 12 12 LEU HD23 H 1 0.867 0.000 . . . . . . A 356 LEU HD23 . 30672 1 134 . 1 1 12 12 LEU C C 13 177.853 0.000 . . . . . . A 356 LEU C . 30672 1 135 . 1 1 12 12 LEU CA C 13 55.074 0.000 . . . . . . A 356 LEU CA . 30672 1 136 . 1 1 12 12 LEU CB C 13 42.338 0.000 . . . . . . A 356 LEU CB . 30672 1 137 . 1 1 12 12 LEU CD1 C 13 25.490 0.000 . . . . . . A 356 LEU CD1 . 30672 1 138 . 1 1 12 12 LEU CD2 C 13 23.509 0.000 . . . . . . A 356 LEU CD2 . 30672 1 139 . 1 1 12 12 LEU N N 15 125.417 0.000 . . . . . . A 356 LEU N . 30672 1 140 . 1 1 13 13 THR H H 1 8.514 0.000 . . . . . . A 357 THR H . 30672 1 141 . 1 1 13 13 THR HA H 1 4.374 0.000 . . . . . . A 357 THR HA . 30672 1 142 . 1 1 13 13 THR HB H 1 4.454 0.000 . . . . . . A 357 THR HB . 30672 1 143 . 1 1 13 13 THR HG21 H 1 1.288 0.000 . . . . . . A 357 THR HG21 . 30672 1 144 . 1 1 13 13 THR HG22 H 1 1.288 0.000 . . . . . . A 357 THR HG22 . 30672 1 145 . 1 1 13 13 THR HG23 H 1 1.288 0.000 . . . . . . A 357 THR HG23 . 30672 1 146 . 1 1 13 13 THR C C 13 174.974 0.000 . . . . . . A 357 THR C . 30672 1 147 . 1 1 13 13 THR CA C 13 61.701 0.000 . . . . . . A 357 THR CA . 30672 1 148 . 1 1 13 13 THR CB C 13 70.535 0.000 . . . . . . A 357 THR CB . 30672 1 149 . 1 1 13 13 THR CG2 C 13 21.816 0.000 . . . . . . A 357 THR CG2 . 30672 1 150 . 1 1 13 13 THR N N 15 114.443 0.000 . . . . . . A 357 THR N . 30672 1 151 . 1 1 14 14 ASP H H 1 8.658 0.000 . . . . . . A 358 ASP H . 30672 1 152 . 1 1 14 14 ASP HA H 1 4.497 0.000 . . . . . . A 358 ASP HA . 30672 1 153 . 1 1 14 14 ASP HB2 H 1 2.763 0.000 . . . . . . A 358 ASP HB2 . 30672 1 154 . 1 1 14 14 ASP HB3 H 1 2.682 0.000 . . . . . . A 358 ASP HB3 . 30672 1 155 . 1 1 14 14 ASP C C 13 177.775 0.000 . . . . . . A 358 ASP C . 30672 1 156 . 1 1 14 14 ASP CA C 13 56.201 0.000 . . . . . . A 358 ASP CA . 30672 1 157 . 1 1 14 14 ASP CB C 13 40.536 0.000 . . . . . . A 358 ASP CB . 30672 1 158 . 1 1 14 14 ASP N N 15 122.390 0.000 . . . . . . A 358 ASP N . 30672 1 159 . 1 1 15 15 ALA H H 1 8.486 0.000 . . . . . . A 359 ALA H . 30672 1 160 . 1 1 15 15 ALA HA H 1 4.199 0.000 . . . . . . A 359 ALA HA . 30672 1 161 . 1 1 15 15 ALA HB1 H 1 1.444 0.000 . . . . . . A 359 ALA HB1 . 30672 1 162 . 1 1 15 15 ALA HB2 H 1 1.444 0.000 . . . . . . A 359 ALA HB2 . 30672 1 163 . 1 1 15 15 ALA HB3 H 1 1.444 0.000 . . . . . . A 359 ALA HB3 . 30672 1 164 . 1 1 15 15 ALA C C 13 180.389 0.000 . . . . . . A 359 ALA C . 30672 1 165 . 1 1 15 15 ALA CA C 13 54.621 0.000 . . . . . . A 359 ALA CA . 30672 1 166 . 1 1 15 15 ALA CB C 13 18.709 0.000 . . . . . . A 359 ALA CB . 30672 1 167 . 1 1 15 15 ALA N N 15 123.214 0.000 . . . . . . A 359 ALA N . 30672 1 168 . 1 1 16 16 GLU H H 1 8.078 0.000 . . . . . . A 360 GLU H . 30672 1 169 . 1 1 16 16 GLU HA H 1 4.098 0.000 . . . . . . A 360 GLU HA . 30672 1 170 . 1 1 16 16 GLU HB2 H 1 2.206 0.000 . . . . . . A 360 GLU HB2 . 30672 1 171 . 1 1 16 16 GLU HB3 H 1 2.063 0.000 . . . . . . A 360 GLU HB3 . 30672 1 172 . 1 1 16 16 GLU HG2 H 1 2.360 0.000 . . . . . . A 360 GLU HG2 . 30672 1 173 . 1 1 16 16 GLU HG3 H 1 2.280 0.000 . . . . . . A 360 GLU HG3 . 30672 1 174 . 1 1 16 16 GLU C C 13 179.078 0.000 . . . . . . A 360 GLU C . 30672 1 175 . 1 1 16 16 GLU CA C 13 58.476 0.000 . . . . . . A 360 GLU CA . 30672 1 176 . 1 1 16 16 GLU CB C 13 30.061 0.000 . . . . . . A 360 GLU CB . 30672 1 177 . 1 1 16 16 GLU CG C 13 36.846 0.000 . . . . . . A 360 GLU CG . 30672 1 178 . 1 1 16 16 GLU N N 15 119.079 0.000 . . . . . . A 360 GLU N . 30672 1 179 . 1 1 17 17 MET H H 1 8.412 0.000 . . . . . . A 361 MET H . 30672 1 180 . 1 1 17 17 MET HA H 1 4.281 0.000 . . . . . . A 361 MET HA . 30672 1 181 . 1 1 17 17 MET HB2 H 1 2.179 0.000 . . . . . . A 361 MET HB2 . 30672 1 182 . 1 1 17 17 MET HB3 H 1 2.179 0.000 . . . . . . A 361 MET HB3 . 30672 1 183 . 1 1 17 17 MET HG2 H 1 2.662 0.000 . . . . . . A 361 MET HG2 . 30672 1 184 . 1 1 17 17 MET HG3 H 1 2.607 0.000 . . . . . . A 361 MET HG3 . 30672 1 185 . 1 1 17 17 MET C C 13 177.901 0.000 . . . . . . A 361 MET C . 30672 1 186 . 1 1 17 17 MET CA C 13 57.594 0.000 . . . . . . A 361 MET CA . 30672 1 187 . 1 1 17 17 MET CB C 13 32.163 0.000 . . . . . . A 361 MET CB . 30672 1 188 . 1 1 17 17 MET CG C 13 32.239 0.000 . . . . . . A 361 MET CG . 30672 1 189 . 1 1 17 17 MET N N 15 120.914 0.000 . . . . . . A 361 MET N . 30672 1 190 . 1 1 18 18 GLU H H 1 8.255 0.000 . . . . . . A 362 GLU H . 30672 1 191 . 1 1 18 18 GLU HA H 1 4.054 0.000 . . . . . . A 362 GLU HA . 30672 1 192 . 1 1 18 18 GLU HB2 H 1 2.072 0.000 . . . . . . A 362 GLU HB2 . 30672 1 193 . 1 1 18 18 GLU HB3 H 1 2.072 0.000 . . . . . . A 362 GLU HB3 . 30672 1 194 . 1 1 18 18 GLU HG2 H 1 2.378 0.000 . . . . . . A 362 GLU HG2 . 30672 1 195 . 1 1 18 18 GLU HG3 H 1 2.261 0.000 . . . . . . A 362 GLU HG3 . 30672 1 196 . 1 1 18 18 GLU C C 13 178.404 0.000 . . . . . . A 362 GLU C . 30672 1 197 . 1 1 18 18 GLU CA C 13 58.852 0.000 . . . . . . A 362 GLU CA . 30672 1 198 . 1 1 18 18 GLU CB C 13 29.567 0.000 . . . . . . A 362 GLU CB . 30672 1 199 . 1 1 18 18 GLU CG C 13 36.294 0.000 . . . . . . A 362 GLU CG . 30672 1 200 . 1 1 18 18 GLU N N 15 119.694 0.000 . . . . . . A 362 GLU N . 30672 1 201 . 1 1 19 19 LYS H H 1 7.792 0.000 . . . . . . A 363 LYS H . 30672 1 202 . 1 1 19 19 LYS HA H 1 4.038 0.000 . . . . . . A 363 LYS HA . 30672 1 203 . 1 1 19 19 LYS HB2 H 1 1.925 0.000 . . . . . . A 363 LYS HB2 . 30672 1 204 . 1 1 19 19 LYS HB3 H 1 1.875 0.000 . . . . . . A 363 LYS HB3 . 30672 1 205 . 1 1 19 19 LYS HG2 H 1 1.531 0.000 . . . . . . A 363 LYS HG2 . 30672 1 206 . 1 1 19 19 LYS HG3 H 1 1.438 0.000 . . . . . . A 363 LYS HG3 . 30672 1 207 . 1 1 19 19 LYS HD2 H 1 1.704 0.000 . . . . . . A 363 LYS HD2 . 30672 1 208 . 1 1 19 19 LYS HD3 H 1 1.704 0.000 . . . . . . A 363 LYS HD3 . 30672 1 209 . 1 1 19 19 LYS HE2 H 1 2.997 0.000 . . . . . . A 363 LYS HE2 . 30672 1 210 . 1 1 19 19 LYS HE3 H 1 2.997 0.000 . . . . . . A 363 LYS HE3 . 30672 1 211 . 1 1 19 19 LYS C C 13 177.574 0.000 . . . . . . A 363 LYS C . 30672 1 212 . 1 1 19 19 LYS CA C 13 58.786 0.000 . . . . . . A 363 LYS CA . 30672 1 213 . 1 1 19 19 LYS CB C 13 32.710 0.000 . . . . . . A 363 LYS CB . 30672 1 214 . 1 1 19 19 LYS CG C 13 25.223 0.000 . . . . . . A 363 LYS CG . 30672 1 215 . 1 1 19 19 LYS CD C 13 29.261 0.000 . . . . . . A 363 LYS CD . 30672 1 216 . 1 1 19 19 LYS CE C 13 42.240 0.000 . . . . . . A 363 LYS CE . 30672 1 217 . 1 1 19 19 LYS N N 15 119.893 0.000 . . . . . . A 363 LYS N . 30672 1 218 . 1 1 20 20 LYS H H 1 7.915 0.000 . . . . . . A 364 LYS H . 30672 1 219 . 1 1 20 20 LYS HA H 1 4.171 0.000 . . . . . . A 364 LYS HA . 30672 1 220 . 1 1 20 20 LYS HB2 H 1 1.924 0.000 . . . . . . A 364 LYS HB2 . 30672 1 221 . 1 1 20 20 LYS HB3 H 1 1.924 0.000 . . . . . . A 364 LYS HB3 . 30672 1 222 . 1 1 20 20 LYS HG2 H 1 1.568 0.000 . . . . . . A 364 LYS HG2 . 30672 1 223 . 1 1 20 20 LYS HG3 H 1 1.418 0.000 . . . . . . A 364 LYS HG3 . 30672 1 224 . 1 1 20 20 LYS HD2 H 1 1.701 0.000 . . . . . . A 364 LYS HD2 . 30672 1 225 . 1 1 20 20 LYS HD3 H 1 1.701 0.000 . . . . . . A 364 LYS HD3 . 30672 1 226 . 1 1 20 20 LYS HE2 H 1 2.982 0.000 . . . . . . A 364 LYS HE2 . 30672 1 227 . 1 1 20 20 LYS HE3 H 1 2.982 0.000 . . . . . . A 364 LYS HE3 . 30672 1 228 . 1 1 20 20 LYS C C 13 178.768 0.000 . . . . . . A 364 LYS C . 30672 1 229 . 1 1 20 20 LYS CA C 13 58.629 0.000 . . . . . . A 364 LYS CA . 30672 1 230 . 1 1 20 20 LYS CB C 13 32.710 0.000 . . . . . . A 364 LYS CB . 30672 1 231 . 1 1 20 20 LYS CG C 13 25.117 0.000 . . . . . . A 364 LYS CG . 30672 1 232 . 1 1 20 20 LYS CD C 13 29.406 0.000 . . . . . . A 364 LYS CD . 30672 1 233 . 1 1 20 20 LYS CE C 13 42.216 0.000 . . . . . . A 364 LYS CE . 30672 1 234 . 1 1 20 20 LYS N N 15 119.885 0.000 . . . . . . A 364 LYS N . 30672 1 235 . 1 1 21 21 ILE H H 1 8.051 0.000 . . . . . . A 365 ILE H . 30672 1 236 . 1 1 21 21 ILE HA H 1 3.893 0.000 . . . . . . A 365 ILE HA . 30672 1 237 . 1 1 21 21 ILE HB H 1 1.929 0.000 . . . . . . A 365 ILE HB . 30672 1 238 . 1 1 21 21 ILE HG12 H 1 1.627 0.000 . . . . . . A 365 ILE HG12 . 30672 1 239 . 1 1 21 21 ILE HG13 H 1 1.227 0.000 . . . . . . A 365 ILE HG13 . 30672 1 240 . 1 1 21 21 ILE HG21 H 1 0.930 0.000 . . . . . . A 365 ILE HG21 . 30672 1 241 . 1 1 21 21 ILE HG22 H 1 0.930 0.000 . . . . . . A 365 ILE HG22 . 30672 1 242 . 1 1 21 21 ILE HG23 H 1 0.930 0.000 . . . . . . A 365 ILE HG23 . 30672 1 243 . 1 1 21 21 ILE HD11 H 1 0.854 0.000 . . . . . . A 365 ILE HD11 . 30672 1 244 . 1 1 21 21 ILE HD12 H 1 0.854 0.000 . . . . . . A 365 ILE HD12 . 30672 1 245 . 1 1 21 21 ILE HD13 H 1 0.854 0.000 . . . . . . A 365 ILE HD13 . 30672 1 246 . 1 1 21 21 ILE C C 13 178.032 0.000 . . . . . . A 365 ILE C . 30672 1 247 . 1 1 21 21 ILE CA C 13 63.426 0.000 . . . . . . A 365 ILE CA . 30672 1 248 . 1 1 21 21 ILE CB C 13 38.238 0.000 . . . . . . A 365 ILE CB . 30672 1 249 . 1 1 21 21 ILE CG1 C 13 28.411 0.000 . . . . . . A 365 ILE CG1 . 30672 1 250 . 1 1 21 21 ILE CG2 C 13 17.418 0.000 . . . . . . A 365 ILE CG2 . 30672 1 251 . 1 1 21 21 ILE CD1 C 13 12.952 0.000 . . . . . . A 365 ILE CD1 . 30672 1 252 . 1 1 21 21 ILE N N 15 120.312 0.000 . . . . . . A 365 ILE N . 30672 1 253 . 1 1 22 22 ARG H H 1 8.221 0.000 . . . . . . A 366 ARG H . 30672 1 254 . 1 1 22 22 ARG HA H 1 4.222 0.000 . . . . . . A 366 ARG HA . 30672 1 255 . 1 1 22 22 ARG HB2 H 1 1.933 0.000 . . . . . . A 366 ARG HB2 . 30672 1 256 . 1 1 22 22 ARG HB3 H 1 1.933 0.000 . . . . . . A 366 ARG HB3 . 30672 1 257 . 1 1 22 22 ARG HG2 H 1 1.794 0.000 . . . . . . A 366 ARG HG2 . 30672 1 258 . 1 1 22 22 ARG HG3 H 1 1.656 0.000 . . . . . . A 366 ARG HG3 . 30672 1 259 . 1 1 22 22 ARG HD2 H 1 3.232 0.000 . . . . . . A 366 ARG HD2 . 30672 1 260 . 1 1 22 22 ARG HD3 H 1 3.232 0.000 . . . . . . A 366 ARG HD3 . 30672 1 261 . 1 1 22 22 ARG C C 13 178.461 0.000 . . . . . . A 366 ARG C . 30672 1 262 . 1 1 22 22 ARG CA C 13 58.333 0.000 . . . . . . A 366 ARG CA . 30672 1 263 . 1 1 22 22 ARG CB C 13 30.473 0.000 . . . . . . A 366 ARG CB . 30672 1 264 . 1 1 22 22 ARG CG C 13 27.449 0.000 . . . . . . A 366 ARG CG . 30672 1 265 . 1 1 22 22 ARG CD C 13 43.655 0.000 . . . . . . A 366 ARG CD . 30672 1 266 . 1 1 22 22 ARG N N 15 122.371 0.000 . . . . . . A 366 ARG N . 30672 1 267 . 1 1 23 23 ASP H H 1 8.529 0.000 . . . . . . A 367 ASP H . 30672 1 268 . 1 1 23 23 ASP HA H 1 4.494 0.000 . . . . . . A 367 ASP HA . 30672 1 269 . 1 1 23 23 ASP HB2 H 1 2.757 0.000 . . . . . . A 367 ASP HB2 . 30672 1 270 . 1 1 23 23 ASP HB3 H 1 2.721 0.000 . . . . . . A 367 ASP HB3 . 30672 1 271 . 1 1 23 23 ASP C C 13 177.868 0.000 . . . . . . A 367 ASP C . 30672 1 272 . 1 1 23 23 ASP CA C 13 56.296 0.000 . . . . . . A 367 ASP CA . 30672 1 273 . 1 1 23 23 ASP CB C 13 40.576 0.000 . . . . . . A 367 ASP CB . 30672 1 274 . 1 1 23 23 ASP N N 15 120.582 0.000 . . . . . . A 367 ASP N . 30672 1 275 . 1 1 24 24 GLN H H 1 8.206 0.000 . . . . . . A 368 GLN H . 30672 1 276 . 1 1 24 24 GLN HA H 1 4.218 0.000 . . . . . . A 368 GLN HA . 30672 1 277 . 1 1 24 24 GLN HB2 H 1 2.176 0.000 . . . . . . A 368 GLN HB2 . 30672 1 278 . 1 1 24 24 GLN HB3 H 1 2.176 0.000 . . . . . . A 368 GLN HB3 . 30672 1 279 . 1 1 24 24 GLN HG2 H 1 2.496 0.000 . . . . . . A 368 GLN HG2 . 30672 1 280 . 1 1 24 24 GLN HG3 H 1 2.438 0.000 . . . . . . A 368 GLN HG3 . 30672 1 281 . 1 1 24 24 GLN HE21 H 1 7.614 0.000 . . . . . . A 368 GLN HE21 . 30672 1 282 . 1 1 24 24 GLN HE22 H 1 6.947 0.000 . . . . . . A 368 GLN HE22 . 30672 1 283 . 1 1 24 24 GLN C C 13 177.409 0.000 . . . . . . A 368 GLN C . 30672 1 284 . 1 1 24 24 GLN CA C 13 57.769 0.000 . . . . . . A 368 GLN CA . 30672 1 285 . 1 1 24 24 GLN CB C 13 28.827 0.000 . . . . . . A 368 GLN CB . 30672 1 286 . 1 1 24 24 GLN CG C 13 33.904 0.000 . . . . . . A 368 GLN CG . 30672 1 287 . 1 1 24 24 GLN N N 15 119.977 0.000 . . . . . . A 368 GLN N . 30672 1 288 . 1 1 24 24 GLN NE2 N 15 112.295 0.000 . . . . . . A 368 GLN NE2 . 30672 1 289 . 1 1 25 25 ASP H H 1 8.306 0.000 . . . . . . A 369 ASP H . 30672 1 290 . 1 1 25 25 ASP HA H 1 4.554 0.000 . . . . . . A 369 ASP HA . 30672 1 291 . 1 1 25 25 ASP HB2 H 1 2.789 0.000 . . . . . . A 369 ASP HB2 . 30672 1 292 . 1 1 25 25 ASP HB3 H 1 2.789 0.000 . . . . . . A 369 ASP HB3 . 30672 1 293 . 1 1 25 25 ASP C C 13 177.506 0.000 . . . . . . A 369 ASP C . 30672 1 294 . 1 1 25 25 ASP CA C 13 55.923 0.000 . . . . . . A 369 ASP CA . 30672 1 295 . 1 1 25 25 ASP CB C 13 41.109 0.000 . . . . . . A 369 ASP CB . 30672 1 296 . 1 1 25 25 ASP N N 15 120.851 0.000 . . . . . . A 369 ASP N . 30672 1 297 . 1 1 26 26 ARG H H 1 8.210 0.000 . . . . . . A 370 ARG H . 30672 1 298 . 1 1 26 26 ARG HA H 1 4.123 0.000 . . . . . . A 370 ARG HA . 30672 1 299 . 1 1 26 26 ARG HB2 H 1 1.926 0.000 . . . . . . A 370 ARG HB2 . 30672 1 300 . 1 1 26 26 ARG HB3 H 1 1.926 0.000 . . . . . . A 370 ARG HB3 . 30672 1 301 . 1 1 26 26 ARG HG2 H 1 1.757 0.000 . . . . . . A 370 ARG HG2 . 30672 1 302 . 1 1 26 26 ARG HG3 H 1 1.632 0.000 . . . . . . A 370 ARG HG3 . 30672 1 303 . 1 1 26 26 ARG HD2 H 1 3.237 0.000 . . . . . . A 370 ARG HD2 . 30672 1 304 . 1 1 26 26 ARG HD3 H 1 3.237 0.000 . . . . . . A 370 ARG HD3 . 30672 1 305 . 1 1 26 26 ARG C C 13 177.884 0.000 . . . . . . A 370 ARG C . 30672 1 306 . 1 1 26 26 ARG CA C 13 58.311 0.000 . . . . . . A 370 ARG CA . 30672 1 307 . 1 1 26 26 ARG CB C 13 30.276 0.000 . . . . . . A 370 ARG CB . 30672 1 308 . 1 1 26 26 ARG CG C 13 27.521 0.000 . . . . . . A 370 ARG CG . 30672 1 309 . 1 1 26 26 ARG CD C 13 43.257 0.000 . . . . . . A 370 ARG CD . 30672 1 310 . 1 1 26 26 ARG N N 15 120.735 0.000 . . . . . . A 370 ARG N . 30672 1 311 . 1 1 27 27 ASN H H 1 8.407 0.000 . . . . . . A 371 ASN H . 30672 1 312 . 1 1 27 27 ASN HA H 1 4.659 0.000 . . . . . . A 371 ASN HA . 30672 1 313 . 1 1 27 27 ASN HB2 H 1 2.904 0.000 . . . . . . A 371 ASN HB2 . 30672 1 314 . 1 1 27 27 ASN HB3 H 1 2.904 0.000 . . . . . . A 371 ASN HB3 . 30672 1 315 . 1 1 27 27 ASN HD21 H 1 7.781 0.000 . . . . . . A 371 ASN HD21 . 30672 1 316 . 1 1 27 27 ASN HD22 H 1 7.042 0.000 . . . . . . A 371 ASN HD22 . 30672 1 317 . 1 1 27 27 ASN C C 13 176.658 0.000 . . . . . . A 371 ASN C . 30672 1 318 . 1 1 27 27 ASN CA C 13 54.931 0.000 . . . . . . A 371 ASN CA . 30672 1 319 . 1 1 27 27 ASN CB C 13 38.719 0.000 . . . . . . A 371 ASN CB . 30672 1 320 . 1 1 27 27 ASN N N 15 118.463 0.000 . . . . . . A 371 ASN N . 30672 1 321 . 1 1 27 27 ASN ND2 N 15 113.940 0.000 . . . . . . A 371 ASN ND2 . 30672 1 322 . 1 1 28 28 THR H H 1 8.276 0.000 . . . . . . A 372 THR H . 30672 1 323 . 1 1 28 28 THR HA H 1 4.159 0.000 . . . . . . A 372 THR HA . 30672 1 324 . 1 1 28 28 THR HB H 1 4.334 0.000 . . . . . . A 372 THR HB . 30672 1 325 . 1 1 28 28 THR HG21 H 1 1.253 0.000 . . . . . . A 372 THR HG21 . 30672 1 326 . 1 1 28 28 THR HG22 H 1 1.253 0.000 . . . . . . A 372 THR HG22 . 30672 1 327 . 1 1 28 28 THR HG23 H 1 1.253 0.000 . . . . . . A 372 THR HG23 . 30672 1 328 . 1 1 28 28 THR C C 13 175.742 0.000 . . . . . . A 372 THR C . 30672 1 329 . 1 1 28 28 THR CA C 13 64.289 0.000 . . . . . . A 372 THR CA . 30672 1 330 . 1 1 28 28 THR CB C 13 69.317 0.000 . . . . . . A 372 THR CB . 30672 1 331 . 1 1 28 28 THR CG2 C 13 21.859 0.000 . . . . . . A 372 THR CG2 . 30672 1 332 . 1 1 28 28 THR N N 15 115.715 0.000 . . . . . . A 372 THR N . 30672 1 333 . 1 1 29 29 ARG H H 1 8.239 0.000 . . . . . . A 373 ARG H . 30672 1 334 . 1 1 29 29 ARG HA H 1 4.167 0.000 . . . . . . A 373 ARG HA . 30672 1 335 . 1 1 29 29 ARG HB2 H 1 1.879 0.000 . . . . . . A 373 ARG HB2 . 30672 1 336 . 1 1 29 29 ARG HB3 H 1 1.879 0.000 . . . . . . A 373 ARG HB3 . 30672 1 337 . 1 1 29 29 ARG HG2 H 1 1.745 0.000 . . . . . . A 373 ARG HG2 . 30672 1 338 . 1 1 29 29 ARG HG3 H 1 1.618 0.000 . . . . . . A 373 ARG HG3 . 30672 1 339 . 1 1 29 29 ARG HD2 H 1 3.225 0.000 . . . . . . A 373 ARG HD2 . 30672 1 340 . 1 1 29 29 ARG HD3 H 1 3.185 0.000 . . . . . . A 373 ARG HD3 . 30672 1 341 . 1 1 29 29 ARG C C 13 177.488 0.000 . . . . . . A 373 ARG C . 30672 1 342 . 1 1 29 29 ARG CA C 13 58.045 0.000 . . . . . . A 373 ARG CA . 30672 1 343 . 1 1 29 29 ARG CB C 13 30.344 0.000 . . . . . . A 373 ARG CB . 30672 1 344 . 1 1 29 29 ARG CG C 13 27.591 0.000 . . . . . . A 373 ARG CG . 30672 1 345 . 1 1 29 29 ARG CD C 13 43.597 0.000 . . . . . . A 373 ARG CD . 30672 1 346 . 1 1 29 29 ARG N N 15 122.255 0.000 . . . . . . A 373 ARG N . 30672 1 347 . 1 1 30 30 ARG H H 1 8.150 0.000 . . . . . . A 374 ARG H . 30672 1 348 . 1 1 30 30 ARG HA H 1 4.214 0.000 . . . . . . A 374 ARG HA . 30672 1 349 . 1 1 30 30 ARG HB2 H 1 1.922 0.000 . . . . . . A 374 ARG HB2 . 30672 1 350 . 1 1 30 30 ARG HB3 H 1 1.872 0.000 . . . . . . A 374 ARG HB3 . 30672 1 351 . 1 1 30 30 ARG HG2 H 1 1.694 0.000 . . . . . . A 374 ARG HG2 . 30672 1 352 . 1 1 30 30 ARG HG3 H 1 1.604 0.000 . . . . . . A 374 ARG HG3 . 30672 1 353 . 1 1 30 30 ARG HD2 H 1 3.217 0.000 . . . . . . A 374 ARG HD2 . 30672 1 354 . 1 1 30 30 ARG HD3 H 1 3.217 0.000 . . . . . . A 374 ARG HD3 . 30672 1 355 . 1 1 30 30 ARG C C 13 177.247 0.000 . . . . . . A 374 ARG C . 30672 1 356 . 1 1 30 30 ARG CA C 13 57.582 0.000 . . . . . . A 374 ARG CA . 30672 1 357 . 1 1 30 30 ARG CB C 13 30.543 0.000 . . . . . . A 374 ARG CB . 30672 1 358 . 1 1 30 30 ARG CG C 13 27.412 0.000 . . . . . . A 374 ARG CG . 30672 1 359 . 1 1 30 30 ARG CD C 13 43.485 0.000 . . . . . . A 374 ARG CD . 30672 1 360 . 1 1 30 30 ARG N N 15 120.890 0.000 . . . . . . A 374 ARG N . 30672 1 361 . 1 1 31 31 MET H H 1 8.247 0.000 . . . . . . A 375 MET H . 30672 1 362 . 1 1 31 31 MET HA H 1 4.376 0.000 . . . . . . A 375 MET HA . 30672 1 363 . 1 1 31 31 MET HB2 H 1 2.118 0.000 . . . . . . A 375 MET HB2 . 30672 1 364 . 1 1 31 31 MET HB3 H 1 2.118 0.000 . . . . . . A 375 MET HB3 . 30672 1 365 . 1 1 31 31 MET HG2 H 1 2.681 0.000 . . . . . . A 375 MET HG2 . 30672 1 366 . 1 1 31 31 MET HG3 H 1 2.573 0.000 . . . . . . A 375 MET HG3 . 30672 1 367 . 1 1 31 31 MET C C 13 177.233 0.000 . . . . . . A 375 MET C . 30672 1 368 . 1 1 31 31 MET CA C 13 56.458 0.000 . . . . . . A 375 MET CA . 30672 1 369 . 1 1 31 31 MET CB C 13 32.483 0.000 . . . . . . A 375 MET CB . 30672 1 370 . 1 1 31 31 MET CG C 13 32.062 0.000 . . . . . . A 375 MET CG . 30672 1 371 . 1 1 31 31 MET N N 15 119.928 0.000 . . . . . . A 375 MET N . 30672 1 372 . 1 1 32 32 ARG H H 1 8.231 0.000 . . . . . . A 376 ARG H . 30672 1 373 . 1 1 32 32 ARG HA H 1 4.268 0.000 . . . . . . A 376 ARG HA . 30672 1 374 . 1 1 32 32 ARG HB2 H 1 1.877 0.000 . . . . . . A 376 ARG HB2 . 30672 1 375 . 1 1 32 32 ARG HB3 H 1 1.831 0.000 . . . . . . A 376 ARG HB3 . 30672 1 376 . 1 1 32 32 ARG HG2 H 1 1.726 0.000 . . . . . . A 376 ARG HG2 . 30672 1 377 . 1 1 32 32 ARG HG3 H 1 1.647 0.000 . . . . . . A 376 ARG HG3 . 30672 1 378 . 1 1 32 32 ARG HD2 H 1 3.193 0.000 . . . . . . A 376 ARG HD2 . 30672 1 379 . 1 1 32 32 ARG HD3 H 1 3.193 0.000 . . . . . . A 376 ARG HD3 . 30672 1 380 . 1 1 32 32 ARG C C 13 176.767 0.000 . . . . . . A 376 ARG C . 30672 1 381 . 1 1 32 32 ARG CA C 13 57.046 0.000 . . . . . . A 376 ARG CA . 30672 1 382 . 1 1 32 32 ARG CB C 13 30.668 0.000 . . . . . . A 376 ARG CB . 30672 1 383 . 1 1 32 32 ARG CG C 13 27.359 0.000 . . . . . . A 376 ARG CG . 30672 1 384 . 1 1 32 32 ARG CD C 13 43.535 0.000 . . . . . . A 376 ARG CD . 30672 1 385 . 1 1 32 32 ARG N N 15 121.603 0.000 . . . . . . A 376 ARG N . 30672 1 386 . 1 1 33 33 ARG H H 1 8.231 0.000 . . . . . . A 377 ARG H . 30672 1 387 . 1 1 33 33 ARG HA H 1 4.288 0.000 . . . . . . A 377 ARG HA . 30672 1 388 . 1 1 33 33 ARG HB2 H 1 1.890 0.000 . . . . . . A 377 ARG HB2 . 30672 1 389 . 1 1 33 33 ARG HB3 H 1 1.820 0.000 . . . . . . A 377 ARG HB3 . 30672 1 390 . 1 1 33 33 ARG HG2 H 1 1.695 0.000 . . . . . . A 377 ARG HG2 . 30672 1 391 . 1 1 33 33 ARG HG3 H 1 1.618 0.000 . . . . . . A 377 ARG HG3 . 30672 1 392 . 1 1 33 33 ARG HD2 H 1 3.220 0.000 . . . . . . A 377 ARG HD2 . 30672 1 393 . 1 1 33 33 ARG HD3 H 1 3.220 0.000 . . . . . . A 377 ARG HD3 . 30672 1 394 . 1 1 33 33 ARG C C 13 176.950 0.000 . . . . . . A 377 ARG C . 30672 1 395 . 1 1 33 33 ARG CA C 13 56.864 0.000 . . . . . . A 377 ARG CA . 30672 1 396 . 1 1 33 33 ARG CB C 13 30.589 0.000 . . . . . . A 377 ARG CB . 30672 1 397 . 1 1 33 33 ARG CG C 13 27.329 0.000 . . . . . . A 377 ARG CG . 30672 1 398 . 1 1 33 33 ARG CD C 13 43.435 0.000 . . . . . . A 377 ARG CD . 30672 1 399 . 1 1 33 33 ARG N N 15 121.713 0.000 . . . . . . A 377 ARG N . 30672 1 400 . 1 1 34 34 LEU H H 1 8.258 0.000 . . . . . . A 378 LEU H . 30672 1 401 . 1 1 34 34 LEU HA H 1 4.315 0.000 . . . . . . A 378 LEU HA . 30672 1 402 . 1 1 34 34 LEU HB2 H 1 1.707 0.000 . . . . . . A 378 LEU HB2 . 30672 1 403 . 1 1 34 34 LEU HB3 H 1 1.707 0.000 . . . . . . A 378 LEU HB3 . 30672 1 404 . 1 1 34 34 LEU HD11 H 1 0.939 0.000 . . . . . . A 378 LEU HD11 . 30672 1 405 . 1 1 34 34 LEU HD12 H 1 0.939 0.000 . . . . . . A 378 LEU HD12 . 30672 1 406 . 1 1 34 34 LEU HD13 H 1 0.939 0.000 . . . . . . A 378 LEU HD13 . 30672 1 407 . 1 1 34 34 LEU HD21 H 1 0.887 0.000 . . . . . . A 378 LEU HD21 . 30672 1 408 . 1 1 34 34 LEU HD22 H 1 0.887 0.000 . . . . . . A 378 LEU HD22 . 30672 1 409 . 1 1 34 34 LEU HD23 H 1 0.887 0.000 . . . . . . A 378 LEU HD23 . 30672 1 410 . 1 1 34 34 LEU C C 13 177.518 0.000 . . . . . . A 378 LEU C . 30672 1 411 . 1 1 34 34 LEU CA C 13 55.455 0.000 . . . . . . A 378 LEU CA . 30672 1 412 . 1 1 34 34 LEU CD1 C 13 24.972 0.000 . . . . . . A 378 LEU CD1 . 30672 1 413 . 1 1 34 34 LEU CD2 C 13 23.542 0.000 . . . . . . A 378 LEU CD2 . 30672 1 414 . 1 1 34 34 LEU N N 15 122.838 0.000 . . . . . . A 378 LEU N . 30672 1 415 . 1 1 35 35 ALA H H 1 8.206 0.000 . . . . . . A 379 ALA H . 30672 1 416 . 1 1 35 35 ALA HA H 1 4.283 0.000 . . . . . . A 379 ALA HA . 30672 1 417 . 1 1 35 35 ALA HB1 H 1 1.418 0.000 . . . . . . A 379 ALA HB1 . 30672 1 418 . 1 1 35 35 ALA HB2 H 1 1.418 0.000 . . . . . . A 379 ALA HB2 . 30672 1 419 . 1 1 35 35 ALA HB3 H 1 1.418 0.000 . . . . . . A 379 ALA HB3 . 30672 1 420 . 1 1 35 35 ALA C C 13 177.646 0.000 . . . . . . A 379 ALA C . 30672 1 421 . 1 1 35 35 ALA CA C 13 52.797 0.000 . . . . . . A 379 ALA CA . 30672 1 422 . 1 1 35 35 ALA CB C 13 19.231 0.000 . . . . . . A 379 ALA CB . 30672 1 423 . 1 1 35 35 ALA N N 15 123.819 0.000 . . . . . . A 379 ALA N . 30672 1 424 . 1 1 36 36 ASN H H 1 8.364 0.000 . . . . . . A 380 ASN H . 30672 1 425 . 1 1 36 36 ASN HA H 1 4.723 0.000 . . . . . . A 380 ASN HA . 30672 1 426 . 1 1 36 36 ASN HB2 H 1 2.881 0.000 . . . . . . A 380 ASN HB2 . 30672 1 427 . 1 1 36 36 ASN HB3 H 1 2.801 0.000 . . . . . . A 380 ASN HB3 . 30672 1 428 . 1 1 36 36 ASN HD21 H 1 7.669 0.000 . . . . . . A 380 ASN HD21 . 30672 1 429 . 1 1 36 36 ASN HD22 H 1 6.961 0.000 . . . . . . A 380 ASN HD22 . 30672 1 430 . 1 1 36 36 ASN C C 13 175.400 0.000 . . . . . . A 380 ASN C . 30672 1 431 . 1 1 36 36 ASN CA C 13 53.410 0.000 . . . . . . A 380 ASN CA . 30672 1 432 . 1 1 36 36 ASN CB C 13 38.752 0.000 . . . . . . A 380 ASN CB . 30672 1 433 . 1 1 36 36 ASN N N 15 117.439 0.000 . . . . . . A 380 ASN N . 30672 1 434 . 1 1 36 36 ASN ND2 N 15 112.990 0.000 . . . . . . A 380 ASN ND2 . 30672 1 435 . 1 1 37 37 THR H H 1 8.032 0.000 . . . . . . A 381 THR H . 30672 1 436 . 1 1 37 37 THR HA H 1 4.314 0.000 . . . . . . A 381 THR HA . 30672 1 437 . 1 1 37 37 THR HB H 1 4.227 0.000 . . . . . . A 381 THR HB . 30672 1 438 . 1 1 37 37 THR HG21 H 1 1.206 0.000 . . . . . . A 381 THR HG21 . 30672 1 439 . 1 1 37 37 THR HG22 H 1 1.206 0.000 . . . . . . A 381 THR HG22 . 30672 1 440 . 1 1 37 37 THR HG23 H 1 1.206 0.000 . . . . . . A 381 THR HG23 . 30672 1 441 . 1 1 37 37 THR C C 13 173.998 0.000 . . . . . . A 381 THR C . 30672 1 442 . 1 1 37 37 THR CA C 13 61.737 0.000 . . . . . . A 381 THR CA . 30672 1 443 . 1 1 37 37 THR CB C 13 69.980 0.000 . . . . . . A 381 THR CB . 30672 1 444 . 1 1 37 37 THR CG2 C 13 21.703 0.000 . . . . . . A 381 THR CG2 . 30672 1 445 . 1 1 37 37 THR N N 15 113.875 0.000 . . . . . . A 381 THR N . 30672 1 446 . 1 1 38 38 ALA H H 1 8.322 0.000 . . . . . . A 382 ALA H . 30672 1 447 . 1 1 38 38 ALA HA H 1 4.577 0.000 . . . . . . A 382 ALA HA . 30672 1 448 . 1 1 38 38 ALA HB1 H 1 1.353 0.000 . . . . . . A 382 ALA HB1 . 30672 1 449 . 1 1 38 38 ALA HB2 H 1 1.353 0.000 . . . . . . A 382 ALA HB2 . 30672 1 450 . 1 1 38 38 ALA HB3 H 1 1.353 0.000 . . . . . . A 382 ALA HB3 . 30672 1 451 . 1 1 38 38 ALA C C 13 175.315 0.000 . . . . . . A 382 ALA C . 30672 1 452 . 1 1 38 38 ALA CA C 13 50.662 0.000 . . . . . . A 382 ALA CA . 30672 1 453 . 1 1 38 38 ALA CB C 13 18.199 0.000 . . . . . . A 382 ALA CB . 30672 1 454 . 1 1 38 38 ALA N N 15 128.108 0.000 . . . . . . A 382 ALA N . 30672 1 455 . 1 1 39 39 PRO HA H 1 4.265 0.000 . . . . . . A 383 PRO HA . 30672 1 456 . 1 1 39 39 PRO HB2 H 1 2.066 0.000 . . . . . . A 383 PRO HB2 . 30672 1 457 . 1 1 39 39 PRO HB3 H 1 1.637 0.000 . . . . . . A 383 PRO HB3 . 30672 1 458 . 1 1 39 39 PRO HG2 H 1 1.940 0.000 . . . . . . A 383 PRO HG2 . 30672 1 459 . 1 1 39 39 PRO HG3 H 1 1.940 0.000 . . . . . . A 383 PRO HG3 . 30672 1 460 . 1 1 39 39 PRO HD2 H 1 3.771 0.000 . . . . . . A 383 PRO HD2 . 30672 1 461 . 1 1 39 39 PRO HD3 H 1 3.588 0.000 . . . . . . A 383 PRO HD3 . 30672 1 462 . 1 1 39 39 PRO C C 13 176.368 0.000 . . . . . . A 383 PRO C . 30672 1 463 . 1 1 39 39 PRO CA C 13 62.970 0.000 . . . . . . A 383 PRO CA . 30672 1 464 . 1 1 39 39 PRO CB C 13 32.016 0.000 . . . . . . A 383 PRO CB . 30672 1 465 . 1 1 39 39 PRO CG C 13 27.460 0.000 . . . . . . A 383 PRO CG . 30672 1 466 . 1 1 39 39 PRO CD C 13 50.442 0.000 . . . . . . A 383 PRO CD . 30672 1 467 . 1 1 40 40 ALA H H 1 8.237 0.000 . . . . . . A 384 ALA H . 30672 1 468 . 1 1 40 40 ALA HA H 1 4.254 0.000 . . . . . . A 384 ALA HA . 30672 1 469 . 1 1 40 40 ALA HB1 H 1 1.287 0.000 . . . . . . A 384 ALA HB1 . 30672 1 470 . 1 1 40 40 ALA HB2 H 1 1.287 0.000 . . . . . . A 384 ALA HB2 . 30672 1 471 . 1 1 40 40 ALA HB3 H 1 1.287 0.000 . . . . . . A 384 ALA HB3 . 30672 1 472 . 1 1 40 40 ALA C C 13 176.343 0.000 . . . . . . A 384 ALA C . 30672 1 473 . 1 1 40 40 ALA CA C 13 52.244 0.000 . . . . . . A 384 ALA CA . 30672 1 474 . 1 1 40 40 ALA CB C 13 19.322 0.000 . . . . . . A 384 ALA CB . 30672 1 475 . 1 1 40 40 ALA N N 15 124.756 0.000 . . . . . . A 384 ALA N . 30672 1 476 . 1 1 41 41 TRP H H 1 7.554 0.000 . . . . . . A 385 TRP H . 30672 1 477 . 1 1 41 41 TRP HA H 1 4.493 0.000 . . . . . . A 385 TRP HA . 30672 1 478 . 1 1 41 41 TRP HB2 H 1 3.343 0.000 . . . . . . A 385 TRP HB2 . 30672 1 479 . 1 1 41 41 TRP HB3 H 1 3.190 0.000 . . . . . . A 385 TRP HB3 . 30672 1 480 . 1 1 41 41 TRP HD1 H 1 7.199 0.000 . . . . . . A 385 TRP HD1 . 30672 1 481 . 1 1 41 41 TRP HE1 H 1 10.098 0.000 . . . . . . A 385 TRP HE1 . 30672 1 482 . 1 1 41 41 TRP HE3 H 1 7.660 0.000 . . . . . . A 385 TRP HE3 . 30672 1 483 . 1 1 41 41 TRP HZ2 H 1 7.486 0.000 . . . . . . A 385 TRP HZ2 . 30672 1 484 . 1 1 41 41 TRP HZ3 H 1 7.144 0.000 . . . . . . A 385 TRP HZ3 . 30672 1 485 . 1 1 41 41 TRP HH2 H 1 7.224 0.000 . . . . . . A 385 TRP HH2 . 30672 1 486 . 1 1 41 41 TRP C C 13 180.877 0.000 . . . . . . A 385 TRP C . 30672 1 487 . 1 1 41 41 TRP CA C 13 58.366 0.000 . . . . . . A 385 TRP CA . 30672 1 488 . 1 1 41 41 TRP CB C 13 30.009 0.000 . . . . . . A 385 TRP CB . 30672 1 489 . 1 1 41 41 TRP CD1 C 13 127.099 0.000 . . . . . . A 385 TRP CD1 . 30672 1 490 . 1 1 41 41 TRP CE3 C 13 121.528 0.000 . . . . . . A 385 TRP CE3 . 30672 1 491 . 1 1 41 41 TRP CZ2 C 13 114.508 0.000 . . . . . . A 385 TRP CZ2 . 30672 1 492 . 1 1 41 41 TRP CZ3 C 13 121.692 0.000 . . . . . . A 385 TRP CZ3 . 30672 1 493 . 1 1 41 41 TRP CH2 C 13 124.500 0.000 . . . . . . A 385 TRP CH2 . 30672 1 494 . 1 1 41 41 TRP N N 15 124.816 0.000 . . . . . . A 385 TRP N . 30672 1 495 . 1 1 41 41 TRP NE1 N 15 128.853 0.000 . . . . . . A 385 TRP NE1 . 30672 1 stop_ save_