data_52269 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52269 _Entry.Title ; MTMR7 coiled coil domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-01-10 _Entry.Accession_date 2024-01-10 _Entry.Last_release_date 2024-01-10 _Entry.Original_release_date 2024-01-10 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _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 'Solution NMR assignment of the coiled coil domian of the human Myotubularin-related protein 7 (MTMR7, residues 514-554).' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Daniel Saar . . . . 52269 2 Andreas Prestel . . . . 52269 3 Birthe Kragelund . B. . . 52269 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Structural Biology and NMR Laboratory, University of Copenhagen' . 52269 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52269 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 114 52269 '15N chemical shifts' 38 52269 '1H chemical shifts' 37 52269 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 . . 2024-03-28 . original BMRB . 52269 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52269 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38462034 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Myotubularin-related-protein-7 inhibits mutant (G12V) K-RAS by direct interaction ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Cancer Lett. (Shannon, Irel.)' _Citation.Journal_name_full 'Cancer letters' _Citation.Journal_volume 588 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1872-7980 _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 216783 _Citation.Page_last 216783 _Citation.Year 2024 _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 Philip Weidner . . . . 52269 1 2 Daniel Saar . . . . 52269 1 3 Michaela Sohn . . . . 52269 1 4 Torsten Schroeder . . . . 52269 1 5 Yanxiong Yu . . . . 52269 1 6 Frank Zollner . G. . . 52269 1 7 Norbert Ponelies . . . . 52269 1 8 Xiaobo Zhou . . . . 52269 1 9 Andre Zwicky . . . . 52269 1 10 Florian Rohrbacher . N. . . 52269 1 11 Vijaya Pattabiraman . R. . . 52269 1 12 Matthias Tanriver . . . . 52269 1 13 Alexander Bauer . . . . 52269 1 14 Hazem Ahmed . . . . 52269 1 15 Simon Ametamey . M. . . 52269 1 16 Philipp Riffel . . . . 52269 1 17 Rony Seger . . . . 52269 1 18 Jeffrey Bode . W. . . 52269 1 19 Rebecca Wade . C. . . 52269 1 20 Matthias Ebert . P. . . 52269 1 21 Birthe Kragelund . B. . . 52269 1 22 Elke Burgermeister . . . . 52269 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Colorectal cancer, RAS, MTMR7, phosphatase, myotubularin, peptide, coiled coil, IDP, NMR' 52269 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52269 _Assembly.ID 1 _Assembly.Name 'MTMR7-CC as disordered monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 'MTMR7 monomer' 1 $entity_1 . . yes native no no . . . 52269 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52269 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; RQSWTDYLMAVKEETQQLEE ELEALEERLEKIQKVQLNCT K ; _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 41 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4981 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Heterodimerization with coiled coild domain of MTMR9. Interaction with KRAS Globular domain.' 52269 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 . ARG . 52269 1 2 . GLN . 52269 1 3 . SER . 52269 1 4 . TRP . 52269 1 5 . THR . 52269 1 6 . ASP . 52269 1 7 . TYR . 52269 1 8 . LEU . 52269 1 9 . MET . 52269 1 10 . ALA . 52269 1 11 . VAL . 52269 1 12 . LYS . 52269 1 13 . GLU . 52269 1 14 . GLU . 52269 1 15 . THR . 52269 1 16 . GLN . 52269 1 17 . GLN . 52269 1 18 . LEU . 52269 1 19 . GLU . 52269 1 20 . GLU . 52269 1 21 . GLU . 52269 1 22 . LEU . 52269 1 23 . GLU . 52269 1 24 . ALA . 52269 1 25 . LEU . 52269 1 26 . GLU . 52269 1 27 . GLU . 52269 1 28 . ARG . 52269 1 29 . LEU . 52269 1 30 . GLU . 52269 1 31 . LYS . 52269 1 32 . ILE . 52269 1 33 . GLN . 52269 1 34 . LYS . 52269 1 35 . VAL . 52269 1 36 . GLN . 52269 1 37 . LEU . 52269 1 38 . ASN . 52269 1 39 . CYS . 52269 1 40 . THR . 52269 1 41 . LYS . 52269 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 . ARG 1 1 52269 1 . GLN 2 2 52269 1 . SER 3 3 52269 1 . TRP 4 4 52269 1 . THR 5 5 52269 1 . ASP 6 6 52269 1 . TYR 7 7 52269 1 . LEU 8 8 52269 1 . MET 9 9 52269 1 . ALA 10 10 52269 1 . VAL 11 11 52269 1 . LYS 12 12 52269 1 . GLU 13 13 52269 1 . GLU 14 14 52269 1 . THR 15 15 52269 1 . GLN 16 16 52269 1 . GLN 17 17 52269 1 . LEU 18 18 52269 1 . GLU 19 19 52269 1 . GLU 20 20 52269 1 . GLU 21 21 52269 1 . LEU 22 22 52269 1 . GLU 23 23 52269 1 . ALA 24 24 52269 1 . LEU 25 25 52269 1 . GLU 26 26 52269 1 . GLU 27 27 52269 1 . ARG 28 28 52269 1 . LEU 29 29 52269 1 . GLU 30 30 52269 1 . LYS 31 31 52269 1 . ILE 32 32 52269 1 . GLN 33 33 52269 1 . LYS 34 34 52269 1 . VAL 35 35 52269 1 . GLN 36 36 52269 1 . LEU 37 37 52269 1 . ASN 38 38 52269 1 . CYS 39 39 52269 1 . THR 40 40 52269 1 . LYS 41 41 52269 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52269 _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 . . . . . . . . . . . . . 52269 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52269 _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' . . . Escherichia coli BL21 . . plasmid . . pET24a . . . 52269 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52269 _Sample.ID 1 _Sample.Name 'MTMR7-CC assignment' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 MTMR7-CC '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 160 . . uM . . . . 52269 1 2 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 52269 1 3 DSS 'natural abundance' . . . . . . 0.7 . . mM . . . . 52269 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 52269 1 5 'sodium chloride' 'natural abundance' . . . . . . 137 . . mM . . . . 52269 1 6 DTT 'natural abundance' . . . . . . 3 . . mM . . . . 52269 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 52269 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'MTMR7-CC assignment' _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' 137 . mM 52269 1 pH 7.3 . pH 52269 1 pressure 1 . atm 52269 1 temperature 283 . K 52269 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52269 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52269 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52269 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52269 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52269 _Software.ID 3 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 52269 3 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 52269 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker AVANCE III 750-MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52269 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52269 1 2 '2D 1H-13C HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52269 1 3 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52269 1 4 '3D CBCANH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52269 1 5 '3D CBCA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52269 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 52269 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'MTMR7-CC assignment' _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 internal indirect 0.25144953 . . . . . 52269 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 52269 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.10329118 . . . . . 52269 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 52269 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name MTMR7-CC _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 2 '2D 1H-13C HSQC' . . . 52269 1 3 '3D HNCO' . . . 52269 1 4 '3D CBCANH' . . . 52269 1 5 '3D CBCA(CO)NH' . . . 52269 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52269 1 2 $software_2 . . 52269 1 3 $software_3 . . 52269 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 3 3 SER C C 13 174.524 0.000 . 1 . . . . . 3 SER C . 52269 1 2 . 1 . 1 4 4 TRP H H 1 8.466 0.000 . 1 . . . . . 4 TRP H . 52269 1 3 . 1 . 1 4 4 TRP C C 13 176.603 0.000 . 1 . . . . . 4 TRP C . 52269 1 4 . 1 . 1 4 4 TRP CA C 13 58.074 0.000 . 1 . . . . . 4 TRP CA . 52269 1 5 . 1 . 1 4 4 TRP CB C 13 29.620 0.000 . 1 . . . . . 4 TRP CB . 52269 1 6 . 1 . 1 4 4 TRP N N 15 123.428 0.000 . 1 . . . . . 4 TRP N . 52269 1 7 . 1 . 1 5 5 THR H H 1 7.912 0.000 . 1 . . . . . 5 THR H . 52269 1 8 . 1 . 1 5 5 THR C C 13 174.597 0.000 . 1 . . . . . 5 THR C . 52269 1 9 . 1 . 1 5 5 THR CA C 13 62.934 0.000 . 1 . . . . . 5 THR CA . 52269 1 10 . 1 . 1 5 5 THR CB C 13 69.433 0.000 . 1 . . . . . 5 THR CB . 52269 1 11 . 1 . 1 5 5 THR N N 15 114.186 0.000 . 1 . . . . . 5 THR N . 52269 1 12 . 1 . 1 6 6 ASP H H 1 8.082 0.000 . 1 . . . . . 6 ASP H . 52269 1 13 . 1 . 1 6 6 ASP C C 13 176.783 0.000 . 1 . . . . . 6 ASP C . 52269 1 14 . 1 . 1 6 6 ASP CA C 13 55.106 0.000 . 1 . . . . . 6 ASP CA . 52269 1 15 . 1 . 1 6 6 ASP CB C 13 40.799 0.000 . 1 . . . . . 6 ASP CB . 52269 1 16 . 1 . 1 6 6 ASP N N 15 122.478 0.000 . 1 . . . . . 6 ASP N . 52269 1 17 . 1 . 1 7 7 TYR H H 1 8.121 0.000 . 1 . . . . . 7 TYR H . 52269 1 18 . 1 . 1 7 7 TYR C C 13 176.185 0.000 . 1 . . . . . 7 TYR C . 52269 1 19 . 1 . 1 7 7 TYR CA C 13 59.083 0.000 . 1 . . . . . 7 TYR CA . 52269 1 20 . 1 . 1 7 7 TYR CB C 13 38.237 0.000 . 1 . . . . . 7 TYR CB . 52269 1 21 . 1 . 1 7 7 TYR N N 15 121.159 0.000 . 1 . . . . . 7 TYR N . 52269 1 22 . 1 . 1 8 8 LEU H H 1 8.052 0.000 . 1 . . . . . 8 LEU H . 52269 1 23 . 1 . 1 8 8 LEU C C 13 177.861 0.000 . 1 . . . . . 8 LEU C . 52269 1 24 . 1 . 1 8 8 LEU CA C 13 55.847 0.000 . 1 . . . . . 8 LEU CA . 52269 1 25 . 1 . 1 8 8 LEU CB C 13 41.896 0.000 . 1 . . . . . 8 LEU CB . 52269 1 26 . 1 . 1 8 8 LEU N N 15 121.710 0.000 . 1 . . . . . 8 LEU N . 52269 1 27 . 1 . 1 9 9 MET H H 1 7.976 0.000 . 1 . . . . . 9 MET H . 52269 1 28 . 1 . 1 9 9 MET C C 13 176.113 0.000 . 1 . . . . . 9 MET C . 52269 1 29 . 1 . 1 9 9 MET CA C 13 55.700 0.000 . 1 . . . . . 9 MET CA . 52269 1 30 . 1 . 1 9 9 MET CB C 13 32.530 0.000 . 1 . . . . . 9 MET CB . 52269 1 31 . 1 . 1 9 9 MET N N 15 119.398 0.000 . 1 . . . . . 9 MET N . 52269 1 32 . 1 . 1 10 10 ALA H H 1 8.069 0.000 . 1 . . . . . 10 ALA H . 52269 1 33 . 1 . 1 10 10 ALA C C 13 178.072 0.000 . 1 . . . . . 10 ALA C . 52269 1 34 . 1 . 1 10 10 ALA CA C 13 52.820 0.000 . 1 . . . . . 10 ALA CA . 52269 1 35 . 1 . 1 10 10 ALA CB C 13 18.996 0.000 . 1 . . . . . 10 ALA CB . 52269 1 36 . 1 . 1 10 10 ALA N N 15 124.578 0.000 . 1 . . . . . 10 ALA N . 52269 1 37 . 1 . 1 11 11 VAL H H 1 8.097 0.000 . 1 . . . . . 11 VAL H . 52269 1 38 . 1 . 1 11 11 VAL C C 13 176.481 0.000 . 1 . . . . . 11 VAL C . 52269 1 39 . 1 . 1 11 11 VAL CA C 13 62.652 0.000 . 1 . . . . . 11 VAL CA . 52269 1 40 . 1 . 1 11 11 VAL CB C 13 32.544 0.000 . 1 . . . . . 11 VAL CB . 52269 1 41 . 1 . 1 11 11 VAL N N 15 119.606 0.000 . 1 . . . . . 11 VAL N . 52269 1 42 . 1 . 1 12 12 LYS H H 1 8.363 0.000 . 1 . . . . . 12 LYS H . 52269 1 43 . 1 . 1 12 12 LYS C C 13 176.668 0.000 . 1 . . . . . 12 LYS C . 52269 1 44 . 1 . 1 12 12 LYS CA C 13 56.599 0.000 . 1 . . . . . 12 LYS CA . 52269 1 45 . 1 . 1 12 12 LYS CB C 13 32.934 0.000 . 1 . . . . . 12 LYS CB . 52269 1 46 . 1 . 1 12 12 LYS N N 15 125.430 0.000 . 1 . . . . . 12 LYS N . 52269 1 47 . 1 . 1 13 13 GLU H H 1 8.530 0.000 . 1 . . . . . 13 GLU H . 52269 1 48 . 1 . 1 13 13 GLU C C 13 176.713 0.000 . 1 . . . . . 13 GLU C . 52269 1 49 . 1 . 1 13 13 GLU CA C 13 56.891 0.000 . 1 . . . . . 13 GLU CA . 52269 1 50 . 1 . 1 13 13 GLU CB C 13 30.185 0.000 . 1 . . . . . 13 GLU CB . 52269 1 51 . 1 . 1 13 13 GLU N N 15 122.788 0.000 . 1 . . . . . 13 GLU N . 52269 1 52 . 1 . 1 14 14 GLU H H 1 8.595 0.000 . 1 . . . . . 14 GLU H . 52269 1 53 . 1 . 1 14 14 GLU C C 13 176.893 0.000 . 1 . . . . . 14 GLU C . 52269 1 54 . 1 . 1 14 14 GLU CA C 13 56.958 0.000 . 1 . . . . . 14 GLU CA . 52269 1 55 . 1 . 1 14 14 GLU CB C 13 30.223 0.000 . 1 . . . . . 14 GLU CB . 52269 1 56 . 1 . 1 14 14 GLU N N 15 122.090 0.000 . 1 . . . . . 14 GLU N . 52269 1 57 . 1 . 1 15 15 THR H H 1 8.278 0.000 . 1 . . . . . 15 THR H . 52269 1 58 . 1 . 1 15 15 THR C C 13 174.553 0.000 . 1 . . . . . 15 THR C . 52269 1 59 . 1 . 1 15 15 THR CA C 13 62.362 0.000 . 1 . . . . . 15 THR CA . 52269 1 60 . 1 . 1 15 15 THR CB C 13 69.774 0.000 . 1 . . . . . 15 THR CB . 52269 1 61 . 1 . 1 15 15 THR N N 15 115.307 0.000 . 1 . . . . . 15 THR N . 52269 1 62 . 1 . 1 16 16 GLN H H 1 8.466 0.000 . 1 . . . . . 16 GLN H . 52269 1 63 . 1 . 1 16 16 GLN C C 13 175.931 0.000 . 1 . . . . . 16 GLN C . 52269 1 64 . 1 . 1 16 16 GLN CA C 13 56.200 0.000 . 1 . . . . . 16 GLN CA . 52269 1 65 . 1 . 1 16 16 GLN CB C 13 29.327 0.000 . 1 . . . . . 16 GLN CB . 52269 1 66 . 1 . 1 16 16 GLN N N 15 123.056 0.000 . 1 . . . . . 16 GLN N . 52269 1 67 . 1 . 1 17 17 GLN H H 1 8.535 0.000 . 1 . . . . . 17 GLN H . 52269 1 68 . 1 . 1 17 17 GLN C C 13 175.960 0.000 . 1 . . . . . 17 GLN C . 52269 1 69 . 1 . 1 17 17 GLN CA C 13 56.078 0.000 . 1 . . . . . 17 GLN CA . 52269 1 70 . 1 . 1 17 17 GLN CB C 13 29.333 0.000 . 1 . . . . . 17 GLN CB . 52269 1 71 . 1 . 1 17 17 GLN N N 15 122.228 0.000 . 1 . . . . . 17 GLN N . 52269 1 72 . 1 . 1 18 18 LEU H H 1 8.447 0.000 . 1 . . . . . 18 LEU H . 52269 1 73 . 1 . 1 18 18 LEU C C 13 177.802 0.000 . 1 . . . . . 18 LEU C . 52269 1 74 . 1 . 1 18 18 LEU CA C 13 55.478 0.000 . 1 . . . . . 18 LEU CA . 52269 1 75 . 1 . 1 18 18 LEU CB C 13 42.368 0.000 . 1 . . . . . 18 LEU CB . 52269 1 76 . 1 . 1 18 18 LEU N N 15 123.938 0.000 . 1 . . . . . 18 LEU N . 52269 1 77 . 1 . 1 19 19 GLU H H 1 8.549 0.000 . 1 . . . . . 19 GLU H . 52269 1 78 . 1 . 1 19 19 GLU C C 13 176.998 0.000 . 1 . . . . . 19 GLU C . 52269 1 79 . 1 . 1 19 19 GLU CA C 13 57.210 0.000 . 1 . . . . . 19 GLU CA . 52269 1 80 . 1 . 1 19 19 GLU CB C 13 30.044 0.000 . 1 . . . . . 19 GLU CB . 52269 1 81 . 1 . 1 19 19 GLU N N 15 121.931 0.000 . 1 . . . . . 19 GLU N . 52269 1 82 . 1 . 1 20 20 GLU H H 1 8.520 0.000 . 1 . . . . . 20 GLU H . 52269 1 83 . 1 . 1 20 20 GLU C C 13 176.947 0.000 . 1 . . . . . 20 GLU C . 52269 1 84 . 1 . 1 20 20 GLU CA C 13 57.098 0.000 . 1 . . . . . 20 GLU CA . 52269 1 85 . 1 . 1 20 20 GLU CB C 13 30.312 0.000 . 1 . . . . . 20 GLU CB . 52269 1 86 . 1 . 1 20 20 GLU N N 15 121.563 0.000 . 1 . . . . . 20 GLU N . 52269 1 87 . 1 . 1 21 21 GLU H H 1 8.466 0.000 . 1 . . . . . 21 GLU H . 52269 1 88 . 1 . 1 21 21 GLU C C 13 177.059 0.000 . 1 . . . . . 21 GLU C . 52269 1 89 . 1 . 1 21 21 GLU CA C 13 56.914 0.000 . 1 . . . . . 21 GLU CA . 52269 1 90 . 1 . 1 21 21 GLU CB C 13 29.987 0.000 . 1 . . . . . 21 GLU CB . 52269 1 91 . 1 . 1 21 21 GLU N N 15 122.189 0.000 . 1 . . . . . 21 GLU N . 52269 1 92 . 1 . 1 22 22 LEU H H 1 8.335 0.000 . 1 . . . . . 22 LEU H . 52269 1 93 . 1 . 1 22 22 LEU C C 13 178.142 0.000 . 1 . . . . . 22 LEU C . 52269 1 94 . 1 . 1 22 22 LEU CA C 13 56.079 0.000 . 1 . . . . . 22 LEU CA . 52269 1 95 . 1 . 1 22 22 LEU CB C 13 42.195 0.000 . 1 . . . . . 22 LEU CB . 52269 1 96 . 1 . 1 22 22 LEU N N 15 123.237 0.000 . 1 . . . . . 22 LEU N . 52269 1 97 . 1 . 1 23 23 GLU H H 1 8.454 0.000 . 1 . . . . . 23 GLU H . 52269 1 98 . 1 . 1 23 23 GLU C C 13 176.834 0.000 . 1 . . . . . 23 GLU C . 52269 1 99 . 1 . 1 23 23 GLU CA C 13 57.404 0.000 . 1 . . . . . 23 GLU CA . 52269 1 100 . 1 . 1 23 23 GLU CB C 13 30.088 0.000 . 1 . . . . . 23 GLU CB . 52269 1 101 . 1 . 1 23 23 GLU N N 15 121.128 0.000 . 1 . . . . . 23 GLU N . 52269 1 102 . 1 . 1 24 24 ALA H H 1 8.244 0.000 . 1 . . . . . 24 ALA H . 52269 1 103 . 1 . 1 24 24 ALA C C 13 178.490 0.000 . 1 . . . . . 24 ALA C . 52269 1 104 . 1 . 1 24 24 ALA CA C 13 52.899 0.000 . 1 . . . . . 24 ALA CA . 52269 1 105 . 1 . 1 24 24 ALA CB C 13 18.793 0.000 . 1 . . . . . 24 ALA CB . 52269 1 106 . 1 . 1 24 24 ALA N N 15 124.618 0.000 . 1 . . . . . 24 ALA N . 52269 1 107 . 1 . 1 25 25 LEU H H 1 8.250 0.000 . 1 . . . . . 25 LEU H . 52269 1 108 . 1 . 1 25 25 LEU C C 13 178.153 0.000 . 1 . . . . . 25 LEU C . 52269 1 109 . 1 . 1 25 25 LEU CA C 13 56.566 0.000 . 1 . . . . . 25 LEU CA . 52269 1 110 . 1 . 1 25 25 LEU CB C 13 42.128 0.000 . 1 . . . . . 25 LEU CB . 52269 1 111 . 1 . 1 25 25 LEU N N 15 121.893 0.000 . 1 . . . . . 25 LEU N . 52269 1 112 . 1 . 1 26 26 GLU C C 13 177.605 0.000 . 1 . . . . . 26 GLU C . 52269 1 113 . 1 . 1 26 26 GLU CA C 13 58.006 0.000 . 1 . . . . . 26 GLU CA . 52269 1 114 . 1 . 1 26 26 GLU CB C 13 29.792 0.000 . 1 . . . . . 26 GLU CB . 52269 1 115 . 1 . 1 26 26 GLU N N 15 119.880 0.000 . 1 . . . . . 26 GLU N . 52269 1 116 . 1 . 1 27 27 GLU H H 1 8.207 0.000 . 1 . . . . . 27 GLU H . 52269 1 117 . 1 . 1 27 27 GLU C C 13 177.433 0.000 . 1 . . . . . 27 GLU C . 52269 1 118 . 1 . 1 27 27 GLU CA C 13 57.728 0.000 . 1 . . . . . 27 GLU CA . 52269 1 119 . 1 . 1 27 27 GLU CB C 13 29.827 0.000 . 1 . . . . . 27 GLU CB . 52269 1 120 . 1 . 1 27 27 GLU N N 15 120.948 0.000 . 1 . . . . . 27 GLU N . 52269 1 121 . 1 . 1 28 28 ARG H H 1 8.222 0.000 . 1 . . . . . 28 ARG H . 52269 1 122 . 1 . 1 28 28 ARG C C 13 177.502 0.000 . 1 . . . . . 28 ARG C . 52269 1 123 . 1 . 1 28 28 ARG CA C 13 57.452 0.000 . 1 . . . . . 28 ARG CA . 52269 1 124 . 1 . 1 28 28 ARG CB C 13 30.434 0.000 . 1 . . . . . 28 ARG CB . 52269 1 125 . 1 . 1 28 28 ARG N N 15 121.167 0.000 . 1 . . . . . 28 ARG N . 52269 1 126 . 1 . 1 29 29 LEU H H 1 8.289 0.000 . 1 . . . . . 29 LEU H . 52269 1 127 . 1 . 1 29 29 LEU C C 13 178.364 0.000 . 1 . . . . . 29 LEU C . 52269 1 128 . 1 . 1 29 29 LEU CA C 13 56.196 0.000 . 1 . . . . . 29 LEU CA . 52269 1 129 . 1 . 1 29 29 LEU CB C 13 41.960 0.000 . 1 . . . . . 29 LEU CB . 52269 1 130 . 1 . 1 29 29 LEU N N 15 121.574 0.000 . 1 . . . . . 29 LEU N . 52269 1 131 . 1 . 1 30 30 GLU H H 1 8.301 0.000 . 1 . . . . . 30 GLU H . 52269 1 132 . 1 . 1 30 30 GLU C C 13 177.176 0.000 . 1 . . . . . 30 GLU C . 52269 1 133 . 1 . 1 30 30 GLU CA C 13 57.448 0.000 . 1 . . . . . 30 GLU CA . 52269 1 134 . 1 . 1 30 30 GLU CB C 13 29.791 0.000 . 1 . . . . . 30 GLU CB . 52269 1 135 . 1 . 1 30 30 GLU N N 15 120.728 0.000 . 1 . . . . . 30 GLU N . 52269 1 136 . 1 . 1 31 31 LYS H H 1 8.159 0.000 . 1 . . . . . 31 LYS H . 52269 1 137 . 1 . 1 31 31 LYS C C 13 177.444 0.000 . 1 . . . . . 31 LYS C . 52269 1 138 . 1 . 1 31 31 LYS CA C 13 57.288 0.000 . 1 . . . . . 31 LYS CA . 52269 1 139 . 1 . 1 31 31 LYS CB C 13 32.722 0.000 . 1 . . . . . 31 LYS CB . 52269 1 140 . 1 . 1 31 31 LYS N N 15 121.000 0.000 . 1 . . . . . 31 LYS N . 52269 1 141 . 1 . 1 32 32 ILE H H 1 8.008 0.000 . 1 . . . . . 32 ILE H . 52269 1 142 . 1 . 1 32 32 ILE C C 13 176.807 0.000 . 1 . . . . . 32 ILE C . 52269 1 143 . 1 . 1 32 32 ILE CA C 13 61.979 0.000 . 1 . . . . . 32 ILE CA . 52269 1 144 . 1 . 1 32 32 ILE CB C 13 38.550 0.000 . 1 . . . . . 32 ILE CB . 52269 1 145 . 1 . 1 32 32 ILE N N 15 120.944 0.000 . 1 . . . . . 32 ILE N . 52269 1 146 . 1 . 1 33 33 GLN H H 1 8.389 0.000 . 1 . . . . . 33 GLN H . 52269 1 147 . 1 . 1 33 33 GLN C C 13 176.412 0.000 . 1 . . . . . 33 GLN C . 52269 1 148 . 1 . 1 33 33 GLN CA C 13 56.312 0.000 . 1 . . . . . 33 GLN CA . 52269 1 149 . 1 . 1 33 33 GLN CB C 13 29.200 0.000 . 1 . . . . . 33 GLN CB . 52269 1 150 . 1 . 1 33 33 GLN N N 15 123.539 0.000 . 1 . . . . . 33 GLN N . 52269 1 151 . 1 . 1 34 34 LYS H H 1 8.349 0.000 . 1 . . . . . 34 LYS H . 52269 1 152 . 1 . 1 34 34 LYS C C 13 176.994 0.000 . 1 . . . . . 34 LYS C . 52269 1 153 . 1 . 1 34 34 LYS CA C 13 56.902 0.000 . 1 . . . . . 34 LYS CA . 52269 1 154 . 1 . 1 34 34 LYS CB C 13 32.997 0.000 . 1 . . . . . 34 LYS CB . 52269 1 155 . 1 . 1 34 34 LYS N N 15 122.605 0.000 . 1 . . . . . 34 LYS N . 52269 1 156 . 1 . 1 35 35 VAL H H 1 8.162 0.000 . 1 . . . . . 35 VAL H . 52269 1 157 . 1 . 1 35 35 VAL C C 13 176.417 0.000 . 1 . . . . . 35 VAL C . 52269 1 158 . 1 . 1 35 35 VAL CA C 13 62.911 0.000 . 1 . . . . . 35 VAL CA . 52269 1 159 . 1 . 1 35 35 VAL CB C 13 32.632 0.000 . 1 . . . . . 35 VAL CB . 52269 1 160 . 1 . 1 35 35 VAL N N 15 121.544 0.000 . 1 . . . . . 35 VAL N . 52269 1 161 . 1 . 1 36 36 GLN H H 1 8.500 0.000 . 1 . . . . . 36 GLN H . 52269 1 162 . 1 . 1 36 36 GLN C C 13 176.026 0.000 . 1 . . . . . 36 GLN C . 52269 1 163 . 1 . 1 36 36 GLN CA C 13 55.878 0.000 . 1 . . . . . 36 GLN CA . 52269 1 164 . 1 . 1 36 36 GLN CB C 13 29.313 0.000 . 1 . . . . . 36 GLN CB . 52269 1 165 . 1 . 1 36 36 GLN N N 15 124.281 0.000 . 1 . . . . . 36 GLN N . 52269 1 166 . 1 . 1 37 37 LEU H H 1 8.416 0.000 . 1 . . . . . 37 LEU H . 52269 1 167 . 1 . 1 37 37 LEU C C 13 177.274 0.000 . 1 . . . . . 37 LEU C . 52269 1 168 . 1 . 1 37 37 LEU CA C 13 55.396 0.000 . 1 . . . . . 37 LEU CA . 52269 1 169 . 1 . 1 37 37 LEU CB C 13 42.456 0.000 . 1 . . . . . 37 LEU CB . 52269 1 170 . 1 . 1 37 37 LEU N N 15 123.916 0.000 . 1 . . . . . 37 LEU N . 52269 1 171 . 1 . 1 38 38 ASN H H 1 8.565 0.000 . 1 . . . . . 38 ASN H . 52269 1 172 . 1 . 1 38 38 ASN C C 13 175.070 0.000 . 1 . . . . . 38 ASN C . 52269 1 173 . 1 . 1 38 38 ASN CA C 13 53.415 0.000 . 1 . . . . . 38 ASN CA . 52269 1 174 . 1 . 1 38 38 ASN CB C 13 38.642 0.000 . 1 . . . . . 38 ASN CB . 52269 1 175 . 1 . 1 38 38 ASN N N 15 119.204 0.000 . 1 . . . . . 38 ASN N . 52269 1 176 . 1 . 1 39 39 CYS H H 1 8.377 0.000 . 1 . . . . . 39 CYS H . 52269 1 177 . 1 . 1 39 39 CYS C C 13 174.742 0.000 . 1 . . . . . 39 CYS C . 52269 1 178 . 1 . 1 39 39 CYS CA C 13 58.587 0.000 . 1 . . . . . 39 CYS CA . 52269 1 179 . 1 . 1 39 39 CYS CB C 13 28.221 0.000 . 1 . . . . . 39 CYS CB . 52269 1 180 . 1 . 1 39 39 CYS N N 15 119.721 0.000 . 1 . . . . . 39 CYS N . 52269 1 181 . 1 . 1 40 40 THR H H 1 8.388 0.000 . 1 . . . . . 40 THR H . 52269 1 182 . 1 . 1 40 40 THR C C 13 173.661 0.000 . 1 . . . . . 40 THR C . 52269 1 183 . 1 . 1 40 40 THR CA C 13 62.138 0.000 . 1 . . . . . 40 THR CA . 52269 1 184 . 1 . 1 40 40 THR CB C 13 69.831 0.000 . 1 . . . . . 40 THR CB . 52269 1 185 . 1 . 1 40 40 THR N N 15 117.568 0.000 . 1 . . . . . 40 THR N . 52269 1 186 . 1 . 1 41 41 LYS H H 1 8.119 0.000 . 1 . . . . . 41 LYS H . 52269 1 187 . 1 . 1 41 41 LYS CA C 13 57.865 0.000 . 1 . . . . . 41 LYS CA . 52269 1 188 . 1 . 1 41 41 LYS CB C 13 33.633 0.000 . 1 . . . . . 41 LYS CB . 52269 1 189 . 1 . 1 41 41 LYS N N 15 129.316 0.000 . 1 . . . . . 41 LYS N . 52269 1 stop_ save_