data_25274 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25274 _Entry.Title ; Solution structure of cytosolic part of Trop2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-10-08 _Entry.Accession_date 2014-10-08 _Entry.Last_release_date 2015-05-04 _Entry.Original_release_date 2015-05-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.77 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Gregor Ilc . . . 25274 2 Janez Plavec . . . 25274 3 Tilen Vidmar . . . 25274 4 Miha Pavsic . . . 25274 5 Brigita Lenarcic . . . 25274 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 'Gregor Ilc' 'not applicable' . 25274 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID TropIC . 25274 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25274 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 74 25274 '15N chemical shifts' 21 25274 '1H chemical shifts' 186 25274 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-05-04 . original BMRB . 25274 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MVL 'BMRB Entry Tracking System' 25274 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25274 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; A Structural View of the Trop2-Mediated Signaling Mechanism Revealed by NMR and Molecular Dynamics ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Gregor Ilc . . . 25274 1 2 Brigita Lenarcic . . . 25274 1 3 Janez Plavec . . . 25274 1 4 Tilen Vidmar . . . 25274 1 5 Miha Pavsic . . . 25274 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25274 _Assembly.ID 1 _Assembly.Name 'cytosolic part of Trop2' _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 . . . 25274 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25274 _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 ; TNRRKSGKYKKVEIKELGEL RKEPSL ; _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 26 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3096.678 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 19342 . entity . . . . . 100.00 26 100.00 100.00 3.96e-07 . . . . 25274 1 2 no PDB 2MVL . "Solution Structure Of Cytosolic Part Of Trop2" . . . . . 100.00 26 100.00 100.00 3.96e-07 . . . . 25274 1 3 no EMBL CAA31781 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 323 100.00 100.00 9.56e-07 . . . . 25274 1 4 no EMBL CAA54799 . "gp50/Trop-2 [Homo sapiens]" . . . . . 100.00 323 100.00 100.00 1.09e-06 . . . . 25274 1 5 no EMBL CAA54801 . "gp50/TROP-2 [Homo sapiens]" . . . . . 100.00 323 100.00 100.00 9.56e-07 . . . . 25274 1 6 no EMBL CAG47056 . "TACSTD2 [Homo sapiens]" . . . . . 100.00 323 100.00 100.00 8.40e-07 . . . . 25274 1 7 no GB AAA52505 . "GA733-1 protein precursor [Homo sapiens]" . . . . . 100.00 323 100.00 100.00 9.56e-07 . . . . 25274 1 8 no GB AAH09409 . "Tumor-associated calcium signal transducer 2 [Homo sapiens]" . . . . . 100.00 323 100.00 100.00 9.56e-07 . . . . 25274 1 9 no GB AAP35919 . "tumor-associated calcium signal transducer 2 [Homo sapiens]" . . . . . 100.00 323 100.00 100.00 9.56e-07 . . . . 25274 1 10 no GB AAP88905 . "tumor-associated calcium signal transducer 2 [synthetic construct]" . . . . . 100.00 324 100.00 100.00 8.44e-07 . . . . 25274 1 11 no GB AAX29730 . "tumor-associated calcium signal transducer 2, partial [synthetic construct]" . . . . . 100.00 324 100.00 100.00 8.44e-07 . . . . 25274 1 12 no REF NP_002344 . "tumor-associated calcium signal transducer 2 precursor [Homo sapiens]" . . . . . 100.00 323 100.00 100.00 9.56e-07 . . . . 25274 1 13 no REF XP_002810812 . "PREDICTED: tumor-associated calcium signal transducer 2 [Pongo abelii]" . . . . . 100.00 323 100.00 100.00 9.47e-07 . . . . 25274 1 14 no REF XP_003265191 . "PREDICTED: tumor-associated calcium signal transducer 2 [Nomascus leucogenys]" . . . . . 100.00 460 100.00 100.00 4.86e-06 . . . . 25274 1 15 no REF XP_003824268 . "PREDICTED: tumor-associated calcium signal transducer 2 [Pan paniscus]" . . . . . 100.00 323 100.00 100.00 9.56e-07 . . . . 25274 1 16 no REF XP_003892008 . "PREDICTED: tumor-associated calcium signal transducer 2 [Papio anubis]" . . . . . 100.00 330 100.00 100.00 1.03e-06 . . . . 25274 1 17 no SP P09758 . "RecName: Full=Tumor-associated calcium signal transducer 2; AltName: Full=Cell surface glycoprotein Trop-2; AltName: Full=Membr" . . . . . 100.00 323 100.00 100.00 9.56e-07 . . . . 25274 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 1 298 THR . 25274 1 2 299 ASN . 25274 1 3 300 ARG . 25274 1 4 301 ARG . 25274 1 5 302 LYS . 25274 1 6 303 SER . 25274 1 7 304 GLY . 25274 1 8 305 LYS . 25274 1 9 306 TYR . 25274 1 10 307 LYS . 25274 1 11 308 LYS . 25274 1 12 309 VAL . 25274 1 13 310 GLU . 25274 1 14 311 ILE . 25274 1 15 312 LYS . 25274 1 16 313 GLU . 25274 1 17 314 LEU . 25274 1 18 315 GLY . 25274 1 19 316 GLU . 25274 1 20 317 LEU . 25274 1 21 318 ARG . 25274 1 22 319 LYS . 25274 1 23 320 GLU . 25274 1 24 321 PRO . 25274 1 25 322 SER . 25274 1 26 323 LEU . 25274 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 . THR 1 1 25274 1 . ASN 2 2 25274 1 . ARG 3 3 25274 1 . ARG 4 4 25274 1 . LYS 5 5 25274 1 . SER 6 6 25274 1 . GLY 7 7 25274 1 . LYS 8 8 25274 1 . TYR 9 9 25274 1 . LYS 10 10 25274 1 . LYS 11 11 25274 1 . VAL 12 12 25274 1 . GLU 13 13 25274 1 . ILE 14 14 25274 1 . LYS 15 15 25274 1 . GLU 16 16 25274 1 . LEU 17 17 25274 1 . GLY 18 18 25274 1 . GLU 19 19 25274 1 . LEU 20 20 25274 1 . ARG 21 21 25274 1 . LYS 22 22 25274 1 . GLU 23 23 25274 1 . PRO 24 24 25274 1 . SER 25 25 25274 1 . LEU 26 26 25274 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 25274 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25274 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 25274 _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 . 'chemical synthesis' . . . . . . . . . . . . . . . . 25274 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25274 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system trifluoroethanol/water _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 TropIC 'natural abundance' . . 1 $entity . . 5 . . mM . . . . 25274 1 2 Trifluoroethanol 'natural abundance' . . . . . . . . . . . . . . 25274 1 3 H2O 'natural abundance' . . . . . . . . . . . . . . 25274 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 25274 _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' 0 . M 25274 1 pH 7.4 . pH 25274 1 pressure 1 . atm 25274 1 temperature 273 . K 25274 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25274 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25274 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25274 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 25274 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25274 _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 Varian VNMRS . 800 . . . 25274 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 25274 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25274 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25274 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25274 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25274 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 25274 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbon' . . . . ppm 0 external direct 1 . . . . . . . . . 25274 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . . . . . 25274 1 N 15 'ammonium hydroxide' nitrogen . . . . ppm 0 na indirect 1 . . . . . . . . . 25274 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 25274 _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' . . . 25274 1 2 '2D 1H-13C HSQC' . . . 25274 1 3 '2D 1H-1H TOCSY' . . . 25274 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 1 1 THR HA H 1 3.970 0.002 . . . . . A 298 THR HA . 25274 1 2 . 1 1 1 1 THR HB H 1 4.233 0.003 . . . . . A 298 THR HB . 25274 1 3 . 1 1 1 1 THR HG21 H 1 1.334 0.004 . . . . . A 298 THR HG21 . 25274 1 4 . 1 1 1 1 THR HG22 H 1 1.334 0.004 . . . . . A 298 THR HG22 . 25274 1 5 . 1 1 1 1 THR HG23 H 1 1.334 0.004 . . . . . A 298 THR HG23 . 25274 1 6 . 1 1 1 1 THR CA C 13 60.960 0.000 . . . . . A 298 THR CA . 25274 1 7 . 1 1 1 1 THR CB C 13 68.541 0.000 . . . . . A 298 THR CB . 25274 1 8 . 1 1 1 1 THR CG2 C 13 20.351 0.000 . . . . . A 298 THR CG2 . 25274 1 9 . 1 1 2 2 ASN HA H 1 4.834 0.002 . . . . . A 299 ASN HA . 25274 1 10 . 1 1 2 2 ASN HB2 H 1 2.943 0.001 . . . . . A 299 ASN HB2 . 25274 1 11 . 1 1 2 2 ASN HB3 H 1 2.882 0.002 . . . . . A 299 ASN HB3 . 25274 1 12 . 1 1 2 2 ASN HD21 H 1 7.594 0.001 . . . . . A 299 ASN HD21 . 25274 1 13 . 1 1 2 2 ASN HD22 H 1 6.715 0.002 . . . . . A 299 ASN HD22 . 25274 1 14 . 1 1 2 2 ASN CA C 13 52.995 0.000 . . . . . A 299 ASN CA . 25274 1 15 . 1 1 2 2 ASN CB C 13 38.136 0.005 . . . . . A 299 ASN CB . 25274 1 16 . 1 1 2 2 ASN ND2 N 15 111.757 0.004 . . . . . A 299 ASN ND2 . 25274 1 17 . 1 1 3 3 ARG H H 1 8.589 0.002 . . . . . A 300 ARG H . 25274 1 18 . 1 1 3 3 ARG HA H 1 4.272 0.002 . . . . . A 300 ARG HA . 25274 1 19 . 1 1 3 3 ARG HB2 H 1 1.909 0.001 . . . . . A 300 ARG HB2 . 25274 1 20 . 1 1 3 3 ARG HB3 H 1 1.871 0.001 . . . . . A 300 ARG HB3 . 25274 1 21 . 1 1 3 3 ARG HG2 H 1 1.708 0.001 . . . . . A 300 ARG HG2 . 25274 1 22 . 1 1 3 3 ARG HG3 H 1 1.669 0.001 . . . . . A 300 ARG HG3 . 25274 1 23 . 1 1 3 3 ARG HD2 H 1 3.220 0.002 . . . . . A 300 ARG HD2 . 25274 1 24 . 1 1 3 3 ARG HD3 H 1 3.196 0.002 . . . . . A 300 ARG HD3 . 25274 1 25 . 1 1 3 3 ARG CA C 13 56.988 0.000 . . . . . A 300 ARG CA . 25274 1 26 . 1 1 3 3 ARG CB C 13 29.939 0.033 . . . . . A 300 ARG CB . 25274 1 27 . 1 1 3 3 ARG CG C 13 26.502 0.041 . . . . . A 300 ARG CG . 25274 1 28 . 1 1 3 3 ARG CD C 13 42.600 0.017 . . . . . A 300 ARG CD . 25274 1 29 . 1 1 3 3 ARG N N 15 122.200 0.000 . . . . . A 300 ARG N . 25274 1 30 . 1 1 4 4 ARG H H 1 8.302 0.004 . . . . . A 301 ARG H . 25274 1 31 . 1 1 4 4 ARG HA H 1 4.279 0.003 . . . . . A 301 ARG HA . 25274 1 32 . 1 1 4 4 ARG HB2 H 1 1.904 0.001 . . . . . A 301 ARG HB2 . 25274 1 33 . 1 1 4 4 ARG HB3 H 1 1.867 0.003 . . . . . A 301 ARG HB3 . 25274 1 34 . 1 1 4 4 ARG HG2 H 1 1.712 0.001 . . . . . A 301 ARG HG2 . 25274 1 35 . 1 1 4 4 ARG HG3 H 1 1.639 0.007 . . . . . A 301 ARG HG3 . 25274 1 36 . 1 1 4 4 ARG HD2 H 1 3.199 0.003 . . . . . A 301 ARG HD2 . 25274 1 37 . 1 1 4 4 ARG HD3 H 1 3.199 0.003 . . . . . A 301 ARG HD3 . 25274 1 38 . 1 1 4 4 ARG CA C 13 56.772 0.000 . . . . . A 301 ARG CA . 25274 1 39 . 1 1 4 4 ARG CB C 13 29.779 0.021 . . . . . A 301 ARG CB . 25274 1 40 . 1 1 4 4 ARG CG C 13 26.657 0.037 . . . . . A 301 ARG CG . 25274 1 41 . 1 1 4 4 ARG CD C 13 42.593 0.000 . . . . . A 301 ARG CD . 25274 1 42 . 1 1 4 4 ARG N N 15 120.350 0.000 . . . . . A 301 ARG N . 25274 1 43 . 1 1 5 5 LYS H H 1 8.152 0.002 . . . . . A 302 LYS H . 25274 1 44 . 1 1 5 5 LYS HA H 1 4.318 0.001 . . . . . A 302 LYS HA . 25274 1 45 . 1 1 5 5 LYS HB2 H 1 1.906 0.005 . . . . . A 302 LYS HB2 . 25274 1 46 . 1 1 5 5 LYS HB3 H 1 1.830 0.006 . . . . . A 302 LYS HB3 . 25274 1 47 . 1 1 5 5 LYS HG2 H 1 1.511 0.002 . . . . . A 302 LYS HG2 . 25274 1 48 . 1 1 5 5 LYS HG3 H 1 1.444 0.007 . . . . . A 302 LYS HG3 . 25274 1 49 . 1 1 5 5 LYS HD2 H 1 1.726 0.003 . . . . . A 302 LYS HD2 . 25274 1 50 . 1 1 5 5 LYS HD3 H 1 1.726 0.003 . . . . . A 302 LYS HD3 . 25274 1 51 . 1 1 5 5 LYS HE2 H 1 3.012 0.001 . . . . . A 302 LYS HE2 . 25274 1 52 . 1 1 5 5 LYS HE3 H 1 3.012 0.001 . . . . . A 302 LYS HE3 . 25274 1 53 . 1 1 5 5 LYS CB C 13 31.887 0.000 . . . . . A 302 LYS CB . 25274 1 54 . 1 1 5 5 LYS CG C 13 24.046 0.011 . . . . . A 302 LYS CG . 25274 1 55 . 1 1 5 5 LYS CD C 13 27.938 0.000 . . . . . A 302 LYS CD . 25274 1 56 . 1 1 5 5 LYS CE C 13 41.602 0.000 . . . . . A 302 LYS CE . 25274 1 57 . 1 1 5 5 LYS N N 15 120.966 0.000 . . . . . A 302 LYS N . 25274 1 58 . 1 1 6 6 SER H H 1 8.125 0.001 . . . . . A 303 SER H . 25274 1 59 . 1 1 6 6 SER HA H 1 4.431 0.017 . . . . . A 303 SER HA . 25274 1 60 . 1 1 6 6 SER HB2 H 1 4.034 0.001 . . . . . A 303 SER HB2 . 25274 1 61 . 1 1 6 6 SER HB3 H 1 3.931 0.000 . . . . . A 303 SER HB3 . 25274 1 62 . 1 1 6 6 SER N N 15 115.222 0.000 . . . . . A 303 SER N . 25274 1 63 . 1 1 7 7 GLY H H 1 8.420 0.002 . . . . . A 304 GLY H . 25274 1 64 . 1 1 7 7 GLY HA2 H 1 3.992 0.003 . . . . . A 304 GLY HA2 . 25274 1 65 . 1 1 7 7 GLY HA3 H 1 3.966 0.003 . . . . . A 304 GLY HA3 . 25274 1 66 . 1 1 7 7 GLY CA C 13 45.526 0.002 . . . . . A 304 GLY CA . 25274 1 67 . 1 1 7 7 GLY N N 15 110.587 0.000 . . . . . A 304 GLY N . 25274 1 68 . 1 1 8 8 LYS H H 1 8.002 0.012 . . . . . A 305 LYS H . 25274 1 69 . 1 1 8 8 LYS HA H 1 4.138 0.057 . . . . . A 305 LYS HA . 25274 1 70 . 1 1 8 8 LYS HB2 H 1 1.733 0.003 . . . . . A 305 LYS HB2 . 25274 1 71 . 1 1 8 8 LYS HB3 H 1 1.733 0.003 . . . . . A 305 LYS HB3 . 25274 1 72 . 1 1 8 8 LYS HG2 H 1 1.304 0.003 . . . . . A 305 LYS HG2 . 25274 1 73 . 1 1 8 8 LYS HG3 H 1 1.255 0.002 . . . . . A 305 LYS HG3 . 25274 1 74 . 1 1 8 8 LYS HD2 H 1 1.640 0.002 . . . . . A 305 LYS HD2 . 25274 1 75 . 1 1 8 8 LYS HD3 H 1 1.640 0.002 . . . . . A 305 LYS HD3 . 25274 1 76 . 1 1 8 8 LYS HE2 H 1 2.943 0.022 . . . . . A 305 LYS HE2 . 25274 1 77 . 1 1 8 8 LYS HE3 H 1 2.943 0.022 . . . . . A 305 LYS HE3 . 25274 1 78 . 1 1 8 8 LYS CA C 13 58.159 0.000 . . . . . A 305 LYS CA . 25274 1 79 . 1 1 8 8 LYS CB C 13 31.873 0.000 . . . . . A 305 LYS CB . 25274 1 80 . 1 1 8 8 LYS CG C 13 23.977 0.009 . . . . . A 305 LYS CG . 25274 1 81 . 1 1 8 8 LYS CD C 13 28.577 0.000 . . . . . A 305 LYS CD . 25274 1 82 . 1 1 8 8 LYS CE C 13 41.546 0.132 . . . . . A 305 LYS CE . 25274 1 83 . 1 1 8 8 LYS N N 15 120.698 0.000 . . . . . A 305 LYS N . 25274 1 84 . 1 1 9 9 TYR H H 1 7.813 0.003 . . . . . A 306 TYR H . 25274 1 85 . 1 1 9 9 TYR HA H 1 5.120 1.346 . . . . . A 306 TYR HA . 25274 1 86 . 1 1 9 9 TYR HB2 H 1 3.171 0.005 . . . . . A 306 TYR HB2 . 25274 1 87 . 1 1 9 9 TYR HB3 H 1 3.008 0.002 . . . . . A 306 TYR HB3 . 25274 1 88 . 1 1 9 9 TYR HD1 H 1 7.139 0.000 . . . . . A 306 TYR HD1 . 25274 1 89 . 1 1 9 9 TYR HD2 H 1 7.137 0.001 . . . . . A 306 TYR HD2 . 25274 1 90 . 1 1 9 9 TYR HE1 H 1 6.847 0.000 . . . . . A 306 TYR HE1 . 25274 1 91 . 1 1 9 9 TYR HE2 H 1 6.850 0.002 . . . . . A 306 TYR HE2 . 25274 1 92 . 1 1 9 9 TYR CA C 13 59.562 0.000 . . . . . A 306 TYR CA . 25274 1 93 . 1 1 9 9 TYR CB C 13 37.419 0.008 . . . . . A 306 TYR CB . 25274 1 94 . 1 1 9 9 TYR CD1 C 13 132.343 0.000 . . . . . A 306 TYR CD1 . 25274 1 95 . 1 1 9 9 TYR CD2 C 13 132.343 0.000 . . . . . A 306 TYR CD2 . 25274 1 96 . 1 1 9 9 TYR CE1 C 13 117.586 0.000 . . . . . A 306 TYR CE1 . 25274 1 97 . 1 1 9 9 TYR CE2 C 13 117.586 0.000 . . . . . A 306 TYR CE2 . 25274 1 98 . 1 1 9 9 TYR N N 15 118.055 0.000 . . . . . A 306 TYR N . 25274 1 99 . 1 1 10 10 LYS H H 1 7.862 0.002 . . . . . A 307 LYS H . 25274 1 100 . 1 1 10 10 LYS HA H 1 4.202 0.001 . . . . . A 307 LYS HA . 25274 1 101 . 1 1 10 10 LYS HB2 H 1 1.886 0.001 . . . . . A 307 LYS HB2 . 25274 1 102 . 1 1 10 10 LYS HB3 H 1 1.886 0.001 . . . . . A 307 LYS HB3 . 25274 1 103 . 1 1 10 10 LYS HG2 H 1 1.516 0.002 . . . . . A 307 LYS HG2 . 25274 1 104 . 1 1 10 10 LYS HG3 H 1 1.479 0.002 . . . . . A 307 LYS HG3 . 25274 1 105 . 1 1 10 10 LYS HD2 H 1 1.755 0.010 . . . . . A 307 LYS HD2 . 25274 1 106 . 1 1 10 10 LYS HD3 H 1 1.755 0.010 . . . . . A 307 LYS HD3 . 25274 1 107 . 1 1 10 10 LYS HE2 H 1 2.993 0.002 . . . . . A 307 LYS HE2 . 25274 1 108 . 1 1 10 10 LYS HE3 H 1 2.993 0.002 . . . . . A 307 LYS HE3 . 25274 1 109 . 1 1 10 10 LYS N N 15 119.831 0.000 . . . . . A 307 LYS N . 25274 1 110 . 1 1 11 11 LYS H H 1 7.873 0.004 . . . . . A 308 LYS H . 25274 1 111 . 1 1 11 11 LYS HA H 1 4.105 0.001 . . . . . A 308 LYS HA . 25274 1 112 . 1 1 11 11 LYS HB2 H 1 1.890 0.001 . . . . . A 308 LYS HB2 . 25274 1 113 . 1 1 11 11 LYS HB3 H 1 1.890 0.001 . . . . . A 308 LYS HB3 . 25274 1 114 . 1 1 11 11 LYS HG2 H 1 1.497 0.003 . . . . . A 308 LYS HG2 . 25274 1 115 . 1 1 11 11 LYS HG3 H 1 1.447 0.002 . . . . . A 308 LYS HG3 . 25274 1 116 . 1 1 11 11 LYS HD2 H 1 1.729 0.002 . . . . . A 308 LYS HD2 . 25274 1 117 . 1 1 11 11 LYS HD3 H 1 1.729 0.002 . . . . . A 308 LYS HD3 . 25274 1 118 . 1 1 11 11 LYS HE2 H 1 2.999 0.001 . . . . . A 308 LYS HE2 . 25274 1 119 . 1 1 11 11 LYS HE3 H 1 2.999 0.001 . . . . . A 308 LYS HE3 . 25274 1 120 . 1 1 11 11 LYS CA C 13 58.325 0.000 . . . . . A 308 LYS CA . 25274 1 121 . 1 1 11 11 LYS CB C 13 32.255 0.000 . . . . . A 308 LYS CB . 25274 1 122 . 1 1 11 11 LYS CG C 13 24.243 0.008 . . . . . A 308 LYS CG . 25274 1 123 . 1 1 11 11 LYS CD C 13 28.569 0.000 . . . . . A 308 LYS CD . 25274 1 124 . 1 1 11 11 LYS CE C 13 41.587 0.000 . . . . . A 308 LYS CE . 25274 1 125 . 1 1 11 11 LYS N N 15 119.822 0.000 . . . . . A 308 LYS N . 25274 1 126 . 1 1 12 12 VAL H H 1 7.662 0.002 . . . . . A 309 VAL H . 25274 1 127 . 1 1 12 12 VAL HA H 1 3.792 0.002 . . . . . A 309 VAL HA . 25274 1 128 . 1 1 12 12 VAL HB H 1 2.179 0.001 . . . . . A 309 VAL HB . 25274 1 129 . 1 1 12 12 VAL HG11 H 1 0.964 0.004 . . . . . A 309 VAL HG11 . 25274 1 130 . 1 1 12 12 VAL HG12 H 1 0.964 0.004 . . . . . A 309 VAL HG12 . 25274 1 131 . 1 1 12 12 VAL HG13 H 1 0.964 0.004 . . . . . A 309 VAL HG13 . 25274 1 132 . 1 1 12 12 VAL HG21 H 1 1.046 0.003 . . . . . A 309 VAL HG21 . 25274 1 133 . 1 1 12 12 VAL HG22 H 1 1.046 0.003 . . . . . A 309 VAL HG22 . 25274 1 134 . 1 1 12 12 VAL HG23 H 1 1.046 0.003 . . . . . A 309 VAL HG23 . 25274 1 135 . 1 1 12 12 VAL CB C 13 31.392 0.000 . . . . . A 309 VAL CB . 25274 1 136 . 1 1 12 12 VAL CG1 C 13 20.065 0.000 . . . . . A 309 VAL CG1 . 25274 1 137 . 1 1 12 12 VAL CG2 C 13 20.766 0.000 . . . . . A 309 VAL CG2 . 25274 1 138 . 1 1 12 12 VAL N N 15 119.326 0.000 . . . . . A 309 VAL N . 25274 1 139 . 1 1 13 13 GLU H H 1 8.045 0.002 . . . . . A 310 GLU H . 25274 1 140 . 1 1 13 13 GLU HA H 1 4.136 0.002 . . . . . A 310 GLU HA . 25274 1 141 . 1 1 13 13 GLU HB2 H 1 2.166 0.001 . . . . . A 310 GLU HB2 . 25274 1 142 . 1 1 13 13 GLU HB3 H 1 2.138 0.001 . . . . . A 310 GLU HB3 . 25274 1 143 . 1 1 13 13 GLU HG2 H 1 2.431 0.001 . . . . . A 310 GLU HG2 . 25274 1 144 . 1 1 13 13 GLU HG3 H 1 2.310 0.000 . . . . . A 310 GLU HG3 . 25274 1 145 . 1 1 13 13 GLU N N 15 119.064 0.000 . . . . . A 310 GLU N . 25274 1 146 . 1 1 14 14 ILE H H 1 8.041 0.003 . . . . . A 311 ILE H . 25274 1 147 . 1 1 14 14 ILE HA H 1 3.864 0.005 . . . . . A 311 ILE HA . 25274 1 148 . 1 1 14 14 ILE HB H 1 1.953 0.002 . . . . . A 311 ILE HB . 25274 1 149 . 1 1 14 14 ILE HG12 H 1 1.440 0.001 . . . . . A 311 ILE HG12 . 25274 1 150 . 1 1 14 14 ILE HG13 H 1 1.238 0.001 . . . . . A 311 ILE HG13 . 25274 1 151 . 1 1 14 14 ILE HG21 H 1 0.959 0.004 . . . . . A 311 ILE HG21 . 25274 1 152 . 1 1 14 14 ILE HG22 H 1 0.959 0.004 . . . . . A 311 ILE HG22 . 25274 1 153 . 1 1 14 14 ILE HG23 H 1 0.959 0.004 . . . . . A 311 ILE HG23 . 25274 1 154 . 1 1 14 14 ILE HD11 H 1 0.865 0.002 . . . . . A 311 ILE HD11 . 25274 1 155 . 1 1 14 14 ILE HD12 H 1 0.865 0.002 . . . . . A 311 ILE HD12 . 25274 1 156 . 1 1 14 14 ILE HD13 H 1 0.865 0.002 . . . . . A 311 ILE HD13 . 25274 1 157 . 1 1 14 14 ILE CA C 13 61.181 0.000 . . . . . A 311 ILE CA . 25274 1 158 . 1 1 14 14 ILE CB C 13 37.369 0.000 . . . . . A 311 ILE CB . 25274 1 159 . 1 1 14 14 ILE CG2 C 13 16.285 0.000 . . . . . A 311 ILE CG2 . 25274 1 160 . 1 1 14 14 ILE CD1 C 13 11.646 0.000 . . . . . A 311 ILE CD1 . 25274 1 161 . 1 1 14 14 ILE N N 15 121.066 0.000 . . . . . A 311 ILE N . 25274 1 162 . 1 1 15 15 LYS H H 1 8.282 0.008 . . . . . A 312 LYS H . 25274 1 163 . 1 1 15 15 LYS HA H 1 4.174 0.003 . . . . . A 312 LYS HA . 25274 1 164 . 1 1 15 15 LYS HB2 H 1 1.892 0.002 . . . . . A 312 LYS HB2 . 25274 1 165 . 1 1 15 15 LYS HB3 H 1 1.858 0.001 . . . . . A 312 LYS HB3 . 25274 1 166 . 1 1 15 15 LYS HG2 H 1 1.372 0.001 . . . . . A 312 LYS HG2 . 25274 1 167 . 1 1 15 15 LYS HG3 H 1 1.372 0.001 . . . . . A 312 LYS HG3 . 25274 1 168 . 1 1 15 15 LYS HD2 H 1 1.625 0.003 . . . . . A 312 LYS HD2 . 25274 1 169 . 1 1 15 15 LYS HD3 H 1 1.625 0.003 . . . . . A 312 LYS HD3 . 25274 1 170 . 1 1 15 15 LYS HE2 H 1 2.936 0.004 . . . . . A 312 LYS HE2 . 25274 1 171 . 1 1 15 15 LYS HE3 H 1 2.936 0.004 . . . . . A 312 LYS HE3 . 25274 1 172 . 1 1 15 15 LYS CB C 13 31.848 0.008 . . . . . A 312 LYS CB . 25274 1 173 . 1 1 15 15 LYS CD C 13 28.569 0.000 . . . . . A 312 LYS CD . 25274 1 174 . 1 1 15 15 LYS CE C 13 41.502 0.000 . . . . . A 312 LYS CE . 25274 1 175 . 1 1 15 15 LYS N N 15 120.323 0.000 . . . . . A 312 LYS N . 25274 1 176 . 1 1 16 16 GLU H H 1 8.404 0.002 . . . . . A 313 GLU H . 25274 1 177 . 1 1 16 16 GLU HA H 1 4.130 0.005 . . . . . A 313 GLU HA . 25274 1 178 . 1 1 16 16 GLU HB2 H 1 2.245 0.000 . . . . . A 313 GLU HB2 . 25274 1 179 . 1 1 16 16 GLU HB3 H 1 2.141 0.002 . . . . . A 313 GLU HB3 . 25274 1 180 . 1 1 16 16 GLU HG2 H 1 2.544 0.001 . . . . . A 313 GLU HG2 . 25274 1 181 . 1 1 16 16 GLU HG3 H 1 2.432 0.001 . . . . . A 313 GLU HG3 . 25274 1 182 . 1 1 16 16 GLU CA C 13 58.275 0.000 . . . . . A 313 GLU CA . 25274 1 183 . 1 1 16 16 GLU CG C 13 33.488 0.012 . . . . . A 313 GLU CG . 25274 1 184 . 1 1 18 18 GLY H H 1 7.986 0.002 . . . . . A 315 GLY H . 25274 1 185 . 1 1 18 18 GLY N N 15 113.742 0.000 . . . . . A 315 GLY N . 25274 1 186 . 1 1 19 19 GLU H H 1 7.856 0.002 . . . . . A 316 GLU H . 25274 1 187 . 1 1 19 19 GLU HA H 1 4.263 0.002 . . . . . A 316 GLU HA . 25274 1 188 . 1 1 19 19 GLU HB2 H 1 2.190 0.005 . . . . . A 316 GLU HB2 . 25274 1 189 . 1 1 19 19 GLU HB3 H 1 2.190 0.005 . . . . . A 316 GLU HB3 . 25274 1 190 . 1 1 19 19 GLU HG2 H 1 2.505 0.003 . . . . . A 316 GLU HG2 . 25274 1 191 . 1 1 19 19 GLU HG3 H 1 2.444 0.003 . . . . . A 316 GLU HG3 . 25274 1 192 . 1 1 19 19 GLU CB C 13 28.515 0.000 . . . . . A 316 GLU CB . 25274 1 193 . 1 1 19 19 GLU CG C 13 34.097 0.003 . . . . . A 316 GLU CG . 25274 1 194 . 1 1 19 19 GLU N N 15 117.775 0.000 . . . . . A 316 GLU N . 25274 1 195 . 1 1 20 20 LEU H H 1 7.990 0.004 . . . . . A 317 LEU H . 25274 1 196 . 1 1 20 20 LEU HA H 1 4.233 0.002 . . . . . A 317 LEU HA . 25274 1 197 . 1 1 20 20 LEU HB2 H 1 1.875 0.006 . . . . . A 317 LEU HB2 . 25274 1 198 . 1 1 20 20 LEU HB3 H 1 1.661 0.067 . . . . . A 317 LEU HB3 . 25274 1 199 . 1 1 20 20 LEU HD11 H 1 0.948 0.006 . . . . . A 317 LEU HD11 . 25274 1 200 . 1 1 20 20 LEU HD12 H 1 0.948 0.006 . . . . . A 317 LEU HD12 . 25274 1 201 . 1 1 20 20 LEU HD13 H 1 0.948 0.006 . . . . . A 317 LEU HD13 . 25274 1 202 . 1 1 20 20 LEU HD21 H 1 0.910 0.006 . . . . . A 317 LEU HD21 . 25274 1 203 . 1 1 20 20 LEU HD22 H 1 0.910 0.006 . . . . . A 317 LEU HD22 . 25274 1 204 . 1 1 20 20 LEU HD23 H 1 0.910 0.006 . . . . . A 317 LEU HD23 . 25274 1 205 . 1 1 20 20 LEU CB C 13 41.352 0.003 . . . . . A 317 LEU CB . 25274 1 206 . 1 1 20 20 LEU CD1 C 13 23.786 0.000 . . . . . A 317 LEU CD1 . 25274 1 207 . 1 1 20 20 LEU CD2 C 13 22.226 0.000 . . . . . A 317 LEU CD2 . 25274 1 208 . 1 1 20 20 LEU N N 15 120.638 0.000 . . . . . A 317 LEU N . 25274 1 209 . 1 1 21 21 ARG H H 1 7.193 0.002 . . . . . A 318 ARG H . 25274 1 210 . 1 1 21 21 ARG HA H 1 4.297 0.009 . . . . . A 318 ARG HA . 25274 1 211 . 1 1 21 21 ARG HB2 H 1 1.982 0.002 . . . . . A 318 ARG HB2 . 25274 1 212 . 1 1 21 21 ARG HB3 H 1 1.871 0.005 . . . . . A 318 ARG HB3 . 25274 1 213 . 1 1 21 21 ARG HG2 H 1 1.770 0.017 . . . . . A 318 ARG HG2 . 25274 1 214 . 1 1 21 21 ARG HG3 H 1 1.687 0.002 . . . . . A 318 ARG HG3 . 25274 1 215 . 1 1 21 21 ARG HD2 H 1 3.203 0.001 . . . . . A 318 ARG HD2 . 25274 1 216 . 1 1 21 21 ARG HD3 H 1 3.203 0.001 . . . . . A 318 ARG HD3 . 25274 1 217 . 1 1 21 21 ARG CA C 13 56.450 0.000 . . . . . A 318 ARG CA . 25274 1 218 . 1 1 21 21 ARG CB C 13 29.771 0.043 . . . . . A 318 ARG CB . 25274 1 219 . 1 1 21 21 ARG CG C 13 26.427 0.017 . . . . . A 318 ARG CG . 25274 1 220 . 1 1 21 21 ARG CD C 13 42.617 0.000 . . . . . A 318 ARG CD . 25274 1 221 . 1 1 22 22 LYS H H 1 7.777 0.007 . . . . . A 319 LYS H . 25274 1 222 . 1 1 22 22 LYS HA H 1 4.279 0.002 . . . . . A 319 LYS HA . 25274 1 223 . 1 1 22 22 LYS HB2 H 1 1.913 0.002 . . . . . A 319 LYS HB2 . 25274 1 224 . 1 1 22 22 LYS HB3 H 1 1.885 0.002 . . . . . A 319 LYS HB3 . 25274 1 225 . 1 1 22 22 LYS HG2 H 1 1.506 0.003 . . . . . A 319 LYS HG2 . 25274 1 226 . 1 1 22 22 LYS HG3 H 1 1.471 0.002 . . . . . A 319 LYS HG3 . 25274 1 227 . 1 1 22 22 LYS HD2 H 1 1.727 0.004 . . . . . A 319 LYS HD2 . 25274 1 228 . 1 1 22 22 LYS HD3 H 1 1.727 0.004 . . . . . A 319 LYS HD3 . 25274 1 229 . 1 1 22 22 LYS HE2 H 1 3.025 0.003 . . . . . A 319 LYS HE2 . 25274 1 230 . 1 1 22 22 LYS HE3 H 1 3.025 0.003 . . . . . A 319 LYS HE3 . 25274 1 231 . 1 1 22 22 LYS CA C 13 56.498 0.000 . . . . . A 319 LYS CA . 25274 1 232 . 1 1 22 22 LYS CB C 13 32.047 0.016 . . . . . A 319 LYS CB . 25274 1 233 . 1 1 22 22 LYS CG C 13 23.953 0.025 . . . . . A 319 LYS CG . 25274 1 234 . 1 1 22 22 LYS CD C 13 28.469 0.000 . . . . . A 319 LYS CD . 25274 1 235 . 1 1 22 22 LYS CE C 13 41.570 0.000 . . . . . A 319 LYS CE . 25274 1 236 . 1 1 22 22 LYS N N 15 119.715 0.000 . . . . . A 319 LYS N . 25274 1 237 . 1 1 23 23 GLU H H 1 8.012 0.004 . . . . . A 320 GLU H . 25274 1 238 . 1 1 23 23 GLU HA H 1 4.674 0.003 . . . . . A 320 GLU HA . 25274 1 239 . 1 1 23 23 GLU HB2 H 1 2.151 0.013 . . . . . A 320 GLU HB2 . 25274 1 240 . 1 1 23 23 GLU HB3 H 1 1.983 0.007 . . . . . A 320 GLU HB3 . 25274 1 241 . 1 1 23 23 GLU HG2 H 1 2.471 0.002 . . . . . A 320 GLU HG2 . 25274 1 242 . 1 1 23 23 GLU HG3 H 1 2.447 0.006 . . . . . A 320 GLU HG3 . 25274 1 243 . 1 1 23 23 GLU CA C 13 53.485 0.000 . . . . . A 320 GLU CA . 25274 1 244 . 1 1 23 23 GLU CB C 13 28.353 0.005 . . . . . A 320 GLU CB . 25274 1 245 . 1 1 23 23 GLU CG C 13 33.172 0.019 . . . . . A 320 GLU CG . 25274 1 246 . 1 1 23 23 GLU N N 15 120.805 0.000 . . . . . A 320 GLU N . 25274 1 247 . 1 1 24 24 PRO HA H 1 4.452 0.002 . . . . . A 321 PRO HA . 25274 1 248 . 1 1 24 24 PRO HB2 H 1 2.273 0.003 . . . . . A 321 PRO HB2 . 25274 1 249 . 1 1 24 24 PRO HB3 H 1 1.975 0.002 . . . . . A 321 PRO HB3 . 25274 1 250 . 1 1 24 24 PRO HG2 H 1 2.079 0.003 . . . . . A 321 PRO HG2 . 25274 1 251 . 1 1 24 24 PRO HG3 H 1 2.021 0.004 . . . . . A 321 PRO HG3 . 25274 1 252 . 1 1 24 24 PRO HD2 H 1 3.803 0.004 . . . . . A 321 PRO HD2 . 25274 1 253 . 1 1 24 24 PRO HD3 H 1 3.722 0.002 . . . . . A 321 PRO HD3 . 25274 1 254 . 1 1 24 24 PRO CA C 13 62.986 0.000 . . . . . A 321 PRO CA . 25274 1 255 . 1 1 24 24 PRO CB C 13 31.076 0.032 . . . . . A 321 PRO CB . 25274 1 256 . 1 1 24 24 PRO CG C 13 26.404 0.006 . . . . . A 321 PRO CG . 25274 1 257 . 1 1 24 24 PRO CD C 13 49.811 0.015 . . . . . A 321 PRO CD . 25274 1 258 . 1 1 25 25 SER H H 1 7.952 0.004 . . . . . A 322 SER H . 25274 1 259 . 1 1 25 25 SER HA H 1 4.502 0.003 . . . . . A 322 SER HA . 25274 1 260 . 1 1 25 25 SER HB2 H 1 3.901 0.003 . . . . . A 322 SER HB2 . 25274 1 261 . 1 1 25 25 SER HB3 H 1 3.864 0.005 . . . . . A 322 SER HB3 . 25274 1 262 . 1 1 25 25 SER CA C 13 57.313 0.000 . . . . . A 322 SER CA . 25274 1 263 . 1 1 25 25 SER CB C 13 63.691 0.010 . . . . . A 322 SER CB . 25274 1 264 . 1 1 25 25 SER N N 15 114.938 0.000 . . . . . A 322 SER N . 25274 1 265 . 1 1 26 26 LEU H H 1 7.618 0.005 . . . . . A 323 LEU H . 25274 1 266 . 1 1 26 26 LEU HA H 1 4.314 0.002 . . . . . A 323 LEU HA . 25274 1 267 . 1 1 26 26 LEU HB2 H 1 1.639 0.003 . . . . . A 323 LEU HB2 . 25274 1 268 . 1 1 26 26 LEU HB3 H 1 1.639 0.003 . . . . . A 323 LEU HB3 . 25274 1 269 . 1 1 26 26 LEU HG H 1 1.617 0.005 . . . . . A 323 LEU HG . 25274 1 270 . 1 1 26 26 LEU HD11 H 1 0.926 0.002 . . . . . A 323 LEU HD11 . 25274 1 271 . 1 1 26 26 LEU HD12 H 1 0.926 0.002 . . . . . A 323 LEU HD12 . 25274 1 272 . 1 1 26 26 LEU HD13 H 1 0.926 0.002 . . . . . A 323 LEU HD13 . 25274 1 273 . 1 1 26 26 LEU HD21 H 1 0.899 0.004 . . . . . A 323 LEU HD21 . 25274 1 274 . 1 1 26 26 LEU HD22 H 1 0.899 0.004 . . . . . A 323 LEU HD22 . 25274 1 275 . 1 1 26 26 LEU HD23 H 1 0.899 0.004 . . . . . A 323 LEU HD23 . 25274 1 276 . 1 1 26 26 LEU CA C 13 55.526 0.000 . . . . . A 323 LEU CA . 25274 1 277 . 1 1 26 26 LEU CB C 13 42.598 0.000 . . . . . A 323 LEU CB . 25274 1 278 . 1 1 26 26 LEU CG C 13 26.725 0.000 . . . . . A 323 LEU CG . 25274 1 279 . 1 1 26 26 LEU CD1 C 13 23.762 0.000 . . . . . A 323 LEU CD1 . 25274 1 280 . 1 1 26 26 LEU CD2 C 13 22.202 0.000 . . . . . A 323 LEU CD2 . 25274 1 281 . 1 1 26 26 LEU N N 15 127.432 0.000 . . . . . A 323 LEU N . 25274 1 stop_ save_