data_50008 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50008 _Entry.Title ; ngMinE/I24N ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-09-03 _Entry.Accession_date 2019-09-03 _Entry.Last_release_date 2019-09-04 _Entry.Original_release_date 2019-09-04 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _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 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'chemical shift assignments' _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 Mengli Cai . . . 0000-0003-4689-0216 50008 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'National Institues of Health' . 50008 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50008 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 240 50008 '15N chemical shifts' 79 50008 '1H chemical shifts' 79 50008 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 . . 2020-09-21 . original BMRB . 50008 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50008 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31772021 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Probing transient excited states of the bacterial cell division regulator MinE by relaxation dispersion NMR spectroscopy ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 116 _Citation.Journal_issue 51 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1091-6490 _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 25446 _Citation.Page_last 25455 _Citation.Year 2019 _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 Mengli Cai M. . . . 50008 1 2 Ying Huang Y. . . . 50008 1 3 Yang Shen Y. . . . 50008 1 4 Min Li M. . . . 50008 1 5 Michiyo Mizuuchi M. . . . 50008 1 6 Rodolfo Ghirlando R. . . . 50008 1 7 Kiyoshi Mizuuchi K. . . . 50008 1 8 'G Marius' Clore G. M. . . 50008 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50008 _Assembly.ID 1 _Assembly.Name ngMinE/I24N _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 ngMinE/I24N 1 $entity_1 . . yes native no no . . . 50008 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50008 _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 n _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSLIELLFGQMQKTATVARD RLQNIIAQERAQEGQTPDYL PTLRKALMEVLSKYVNVSLD NIRISQEKQDGMDVLELNIT LPEQKKVLE ; _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 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 50008 1 2 . SER . 50008 1 3 . LEU . 50008 1 4 . ILE . 50008 1 5 . GLU . 50008 1 6 . LEU . 50008 1 7 . LEU . 50008 1 8 . PHE . 50008 1 9 . GLY . 50008 1 10 . GLN . 50008 1 11 . MET . 50008 1 12 . GLN . 50008 1 13 . LYS . 50008 1 14 . THR . 50008 1 15 . ALA . 50008 1 16 . THR . 50008 1 17 . VAL . 50008 1 18 . ALA . 50008 1 19 . ARG . 50008 1 20 . ASP . 50008 1 21 . ARG . 50008 1 22 . LEU . 50008 1 23 . GLN . 50008 1 24 . ASN . 50008 1 25 . ILE . 50008 1 26 . ILE . 50008 1 27 . ALA . 50008 1 28 . GLN . 50008 1 29 . GLU . 50008 1 30 . ARG . 50008 1 31 . ALA . 50008 1 32 . GLN . 50008 1 33 . GLU . 50008 1 34 . GLY . 50008 1 35 . GLN . 50008 1 36 . THR . 50008 1 37 . PRO . 50008 1 38 . ASP . 50008 1 39 . TYR . 50008 1 40 . LEU . 50008 1 41 . PRO . 50008 1 42 . THR . 50008 1 43 . LEU . 50008 1 44 . ARG . 50008 1 45 . LYS . 50008 1 46 . ALA . 50008 1 47 . LEU . 50008 1 48 . MET . 50008 1 49 . GLU . 50008 1 50 . VAL . 50008 1 51 . LEU . 50008 1 52 . SER . 50008 1 53 . LYS . 50008 1 54 . TYR . 50008 1 55 . VAL . 50008 1 56 . ASN . 50008 1 57 . VAL . 50008 1 58 . SER . 50008 1 59 . LEU . 50008 1 60 . ASP . 50008 1 61 . ASN . 50008 1 62 . ILE . 50008 1 63 . ARG . 50008 1 64 . ILE . 50008 1 65 . SER . 50008 1 66 . GLN . 50008 1 67 . GLU . 50008 1 68 . LYS . 50008 1 69 . GLN . 50008 1 70 . ASP . 50008 1 71 . GLY . 50008 1 72 . MET . 50008 1 73 . ASP . 50008 1 74 . VAL . 50008 1 75 . LEU . 50008 1 76 . GLU . 50008 1 77 . LEU . 50008 1 78 . ASN . 50008 1 79 . ILE . 50008 1 80 . THR . 50008 1 81 . LEU . 50008 1 82 . PRO . 50008 1 83 . GLU . 50008 1 84 . GLN . 50008 1 85 . LYS . 50008 1 86 . LYS . 50008 1 87 . VAL . 50008 1 88 . LEU . 50008 1 89 . GLU . 50008 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 . MET 1 1 50008 1 . SER 2 2 50008 1 . LEU 3 3 50008 1 . ILE 4 4 50008 1 . GLU 5 5 50008 1 . LEU 6 6 50008 1 . LEU 7 7 50008 1 . PHE 8 8 50008 1 . GLY 9 9 50008 1 . GLN 10 10 50008 1 . MET 11 11 50008 1 . GLN 12 12 50008 1 . LYS 13 13 50008 1 . THR 14 14 50008 1 . ALA 15 15 50008 1 . THR 16 16 50008 1 . VAL 17 17 50008 1 . ALA 18 18 50008 1 . ARG 19 19 50008 1 . ASP 20 20 50008 1 . ARG 21 21 50008 1 . LEU 22 22 50008 1 . GLN 23 23 50008 1 . ASN 24 24 50008 1 . ILE 25 25 50008 1 . ILE 26 26 50008 1 . ALA 27 27 50008 1 . GLN 28 28 50008 1 . GLU 29 29 50008 1 . ARG 30 30 50008 1 . ALA 31 31 50008 1 . GLN 32 32 50008 1 . GLU 33 33 50008 1 . GLY 34 34 50008 1 . GLN 35 35 50008 1 . THR 36 36 50008 1 . PRO 37 37 50008 1 . ASP 38 38 50008 1 . TYR 39 39 50008 1 . LEU 40 40 50008 1 . PRO 41 41 50008 1 . THR 42 42 50008 1 . LEU 43 43 50008 1 . ARG 44 44 50008 1 . LYS 45 45 50008 1 . ALA 46 46 50008 1 . LEU 47 47 50008 1 . MET 48 48 50008 1 . GLU 49 49 50008 1 . VAL 50 50 50008 1 . LEU 51 51 50008 1 . SER 52 52 50008 1 . LYS 53 53 50008 1 . TYR 54 54 50008 1 . VAL 55 55 50008 1 . ASN 56 56 50008 1 . VAL 57 57 50008 1 . SER 58 58 50008 1 . LEU 59 59 50008 1 . ASP 60 60 50008 1 . ASN 61 61 50008 1 . ILE 62 62 50008 1 . ARG 63 63 50008 1 . ILE 64 64 50008 1 . SER 65 65 50008 1 . GLN 66 66 50008 1 . GLU 67 67 50008 1 . LYS 68 68 50008 1 . GLN 69 69 50008 1 . ASP 70 70 50008 1 . GLY 71 71 50008 1 . MET 72 72 50008 1 . ASP 73 73 50008 1 . VAL 74 74 50008 1 . LEU 75 75 50008 1 . GLU 76 76 50008 1 . LEU 77 77 50008 1 . ASN 78 78 50008 1 . ILE 79 79 50008 1 . THR 80 80 50008 1 . LEU 81 81 50008 1 . PRO 82 82 50008 1 . GLU 83 83 50008 1 . GLN 84 84 50008 1 . LYS 85 85 50008 1 . LYS 86 86 50008 1 . VAL 87 87 50008 1 . LEU 88 88 50008 1 . GLU 89 89 50008 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 50008 _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 . 485 organism . 'Neisseria gonorrheae' 'Neisseria gonorrheae' . . Bacteria . Neisseria gonorrheae . . . . . . . . . . . . . 50008 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 50008 _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' 'Neisseria gonorrheae pet' . . . . . . . . plasmid . . pet11a . . . 50008 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50008 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 ngMinE/I24N '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 0.3 . . mM . . . . 50008 1 2 Kpi 'natural abundance' . . . . . . 25 . . mM . . . . 50008 1 3 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 50008 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 50008 _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' 0.025 . M 50008 1 pH 6.5 . pH 50008 1 pressure 1 . atm 50008 1 temperature 298k . K 50008 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50008 _Software.ID 1 _Software.Type . _Software.Name PIPP _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Garrett . . 50008 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'peak picking' 50008 1 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 50008 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details bruker500 _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 50008 _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 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50008 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50008 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50008 1 4 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50008 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50008 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 50008 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details stardard loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 50008 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50008 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50008 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . 50008 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 50008 _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 '2D 1H-15N HSQC' . . . 50008 1 2 '3D HNCO' . . . 50008 1 3 '3D HNCACB' . . . 50008 1 4 '3D HBHA(CO)NH' . . . 50008 1 5 '3D CBCA(CO)NH' . . . 50008 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 1 1 MET C C 13 176.071 0.2 . . . . . . . 1 MET C . 50008 1 2 . 1 . 1 1 1 MET CA C 13 55.689 0.2 . . . . . . . 1 MET CA . 50008 1 3 . 1 . 1 1 1 MET CB C 13 29.738 0.2 . . . . . . . 1 MET CB . 50008 1 4 . 1 . 1 2 2 SER H H 1 8.306 0.03 . . . . . . . 2 SER HN . 50008 1 5 . 1 . 1 2 2 SER CA C 13 60.059 0.2 . . . . . . . 2 SER CA . 50008 1 6 . 1 . 1 2 2 SER N N 15 117.865 0.1 . . . . . . . 2 SER N . 50008 1 7 . 1 . 1 3 3 LEU C C 13 174.481 0.2 . . . . . . . 3 LEU C . 50008 1 8 . 1 . 1 3 3 LEU CA C 13 56.104 0.2 . . . . . . . 3 LEU CA . 50008 1 9 . 1 . 1 3 3 LEU CB C 13 41.904 0.2 . . . . . . . 3 LEU CB . 50008 1 10 . 1 . 1 4 4 ILE H H 1 8.134 0.03 . . . . . . . 4 ILE HN . 50008 1 11 . 1 . 1 4 4 ILE C C 13 175.627 0.2 . . . . . . . 4 ILE C . 50008 1 12 . 1 . 1 4 4 ILE CA C 13 62.239 0.2 . . . . . . . 4 ILE CA . 50008 1 13 . 1 . 1 4 4 ILE CB C 13 38.355 0.2 . . . . . . . 4 ILE CB . 50008 1 14 . 1 . 1 4 4 ILE N N 15 120.592 0.1 . . . . . . . 4 ILE N . 50008 1 15 . 1 . 1 5 5 GLU H H 1 8.192 0.03 . . . . . . . 5 GLU HN . 50008 1 16 . 1 . 1 5 5 GLU C C 13 175.140 0.2 . . . . . . . 5 GLU C . 50008 1 17 . 1 . 1 5 5 GLU CA C 13 57.356 0.2 . . . . . . . 5 GLU CA . 50008 1 18 . 1 . 1 5 5 GLU CB C 13 30.200 0.2 . . . . . . . 5 GLU CB . 50008 1 19 . 1 . 1 5 5 GLU N N 15 123.600 0.1 . . . . . . . 5 GLU N . 50008 1 20 . 1 . 1 6 6 LEU H H 1 8.051 0.03 . . . . . . . 6 LEU HN . 50008 1 21 . 1 . 1 6 6 LEU C C 13 174.471 0.2 . . . . . . . 6 LEU C . 50008 1 22 . 1 . 1 6 6 LEU CA C 13 55.800 0.2 . . . . . . . 6 LEU CA . 50008 1 23 . 1 . 1 6 6 LEU CB C 13 42.283 0.2 . . . . . . . 6 LEU CB . 50008 1 24 . 1 . 1 6 6 LEU N N 15 122.530 0.1 . . . . . . . 6 LEU N . 50008 1 25 . 1 . 1 7 7 LEU H H 1 8.069 0.03 . . . . . . . 7 LEU HN . 50008 1 26 . 1 . 1 7 7 LEU C C 13 174.626 0.2 . . . . . . . 7 LEU C . 50008 1 27 . 1 . 1 7 7 LEU CA C 13 55.688 0.2 . . . . . . . 7 LEU CA . 50008 1 28 . 1 . 1 7 7 LEU CB C 13 42.370 0.2 . . . . . . . 7 LEU CB . 50008 1 29 . 1 . 1 7 7 LEU N N 15 120.981 0.1 . . . . . . . 7 LEU N . 50008 1 30 . 1 . 1 8 8 PHE H H 1 8.124 0.03 . . . . . . . 8 PHE HN . 50008 1 31 . 1 . 1 8 8 PHE C C 13 175.468 0.2 . . . . . . . 8 PHE C . 50008 1 32 . 1 . 1 8 8 PHE CA C 13 58.222 0.2 . . . . . . . 8 PHE CA . 50008 1 33 . 1 . 1 8 8 PHE CB C 13 39.389 0.2 . . . . . . . 8 PHE CB . 50008 1 34 . 1 . 1 8 8 PHE N N 15 119.072 0.1 . . . . . . . 8 PHE N . 50008 1 35 . 1 . 1 9 9 GLY H H 1 8.242 0.03 . . . . . . . 9 GLY HN . 50008 1 36 . 1 . 1 9 9 GLY C C 13 177.785 0.2 . . . . . . . 9 GLY C . 50008 1 37 . 1 . 1 9 9 GLY CA C 13 45.540 0.2 . . . . . . . 9 GLY CA . 50008 1 38 . 1 . 1 9 9 GLY N N 15 109.713 0.1 . . . . . . . 9 GLY N . 50008 1 39 . 1 . 1 10 10 GLN H H 1 8.148 0.03 . . . . . . . 10 GLN HN . 50008 1 40 . 1 . 1 10 10 GLN C C 13 176.035 0.2 . . . . . . . 10 GLN C . 50008 1 41 . 1 . 1 10 10 GLN CA C 13 55.976 0.2 . . . . . . . 10 GLN CA . 50008 1 42 . 1 . 1 10 10 GLN CB C 13 29.546 0.2 . . . . . . . 10 GLN CB . 50008 1 43 . 1 . 1 10 10 GLN N N 15 119.499 0.1 . . . . . . . 10 GLN N . 50008 1 44 . 1 . 1 11 11 MET H H 1 8.466 0.03 . . . . . . . 11 MET HN . 50008 1 45 . 1 . 1 11 11 MET CA C 13 56.800 0.2 . . . . . . . 11 MET CA . 50008 1 46 . 1 . 1 11 11 MET CB C 13 30.204 0.2 . . . . . . . 11 MET CB . 50008 1 47 . 1 . 1 11 11 MET N N 15 122.526 0.1 . . . . . . . 11 MET N . 50008 1 48 . 1 . 1 13 13 LYS C C 13 175.307 0.2 . . . . . . . 13 LYS C . 50008 1 49 . 1 . 1 13 13 LYS CA C 13 56.723 0.2 . . . . . . . 13 LYS CA . 50008 1 50 . 1 . 1 13 13 LYS CB C 13 32.952 0.2 . . . . . . . 13 LYS CB . 50008 1 51 . 1 . 1 14 14 THR H H 1 8.121 0.03 . . . . . . . 14 THR HN . 50008 1 52 . 1 . 1 14 14 THR C C 13 177.867 0.2 . . . . . . . 14 THR C . 50008 1 53 . 1 . 1 14 14 THR CA C 13 62.098 0.2 . . . . . . . 14 THR CA . 50008 1 54 . 1 . 1 14 14 THR CB C 13 69.920 0.2 . . . . . . . 14 THR CB . 50008 1 55 . 1 . 1 14 14 THR N N 15 115.454 0.1 . . . . . . . 14 THR N . 50008 1 56 . 1 . 1 15 15 ALA H H 1 8.360 0.03 . . . . . . . 15 ALA HN . 50008 1 57 . 1 . 1 15 15 ALA C C 13 174.268 0.2 . . . . . . . 15 ALA C . 50008 1 58 . 1 . 1 15 15 ALA CA C 13 52.619 0.2 . . . . . . . 15 ALA CA . 50008 1 59 . 1 . 1 15 15 ALA CB C 13 19.371 0.2 . . . . . . . 15 ALA CB . 50008 1 60 . 1 . 1 15 15 ALA N N 15 126.636 0.1 . . . . . . . 15 ALA N . 50008 1 61 . 1 . 1 16 16 THR H H 1 8.183 0.03 . . . . . . . 16 THR HN . 50008 1 62 . 1 . 1 16 16 THR C C 13 177.556 0.2 . . . . . . . 16 THR C . 50008 1 63 . 1 . 1 16 16 THR CA C 13 62.328 0.2 . . . . . . . 16 THR CA . 50008 1 64 . 1 . 1 16 16 THR CB C 13 69.857 0.2 . . . . . . . 16 THR CB . 50008 1 65 . 1 . 1 16 16 THR N N 15 114.565 0.1 . . . . . . . 16 THR N . 50008 1 66 . 1 . 1 17 17 VAL H H 1 8.120 0.03 . . . . . . . 17 VAL HN . 50008 1 67 . 1 . 1 17 17 VAL C C 13 176.306 0.2 . . . . . . . 17 VAL C . 50008 1 68 . 1 . 1 17 17 VAL CA C 13 62.361 0.2 . . . . . . . 17 VAL CA . 50008 1 69 . 1 . 1 17 17 VAL CB C 13 32.842 0.2 . . . . . . . 17 VAL CB . 50008 1 70 . 1 . 1 17 17 VAL N N 15 122.762 0.1 . . . . . . . 17 VAL N . 50008 1 71 . 1 . 1 18 18 ALA H H 1 8.384 0.03 . . . . . . . 18 ALA HN . 50008 1 72 . 1 . 1 18 18 ALA C C 13 174.065 0.2 . . . . . . . 18 ALA C . 50008 1 73 . 1 . 1 18 18 ALA CA C 13 52.899 0.2 . . . . . . . 18 ALA CA . 50008 1 74 . 1 . 1 18 18 ALA CB C 13 19.091 0.2 . . . . . . . 18 ALA CB . 50008 1 75 . 1 . 1 18 18 ALA N N 15 127.872 0.1 . . . . . . . 18 ALA N . 50008 1 76 . 1 . 1 19 19 ARG H H 1 8.228 0.03 . . . . . . . 19 ARG HN . 50008 1 77 . 1 . 1 19 19 ARG C C 13 175.679 0.2 . . . . . . . 19 ARG C . 50008 1 78 . 1 . 1 19 19 ARG CA C 13 56.515 0.2 . . . . . . . 19 ARG CA . 50008 1 79 . 1 . 1 19 19 ARG CB C 13 30.698 0.2 . . . . . . . 19 ARG CB . 50008 1 80 . 1 . 1 19 19 ARG N N 15 119.434 0.1 . . . . . . . 19 ARG N . 50008 1 81 . 1 . 1 20 20 ASP H H 1 8.302 0.03 . . . . . . . 20 ASP HN . 50008 1 82 . 1 . 1 20 20 ASP C C 13 175.487 0.2 . . . . . . . 20 ASP C . 50008 1 83 . 1 . 1 20 20 ASP CA C 13 54.582 0.2 . . . . . . . 20 ASP CA . 50008 1 84 . 1 . 1 20 20 ASP CB C 13 41.097 0.2 . . . . . . . 20 ASP CB . 50008 1 85 . 1 . 1 20 20 ASP N N 15 120.349 0.1 . . . . . . . 20 ASP N . 50008 1 86 . 1 . 1 21 21 ARG H H 1 8.175 0.03 . . . . . . . 21 ARG HN . 50008 1 87 . 1 . 1 21 21 ARG C C 13 175.346 0.2 . . . . . . . 21 ARG C . 50008 1 88 . 1 . 1 21 21 ARG CA C 13 56.768 0.2 . . . . . . . 21 ARG CA . 50008 1 89 . 1 . 1 21 21 ARG CB C 13 30.471 0.2 . . . . . . . 21 ARG CB . 50008 1 90 . 1 . 1 21 21 ARG N N 15 120.614 0.1 . . . . . . . 21 ARG N . 50008 1 91 . 1 . 1 22 22 LEU H H 1 8.168 0.03 . . . . . . . 22 LEU HN . 50008 1 92 . 1 . 1 22 22 LEU C C 13 174.492 0.2 . . . . . . . 22 LEU C . 50008 1 93 . 1 . 1 22 22 LEU CA C 13 55.947 0.2 . . . . . . . 22 LEU CA . 50008 1 94 . 1 . 1 22 22 LEU CB C 13 41.905 0.2 . . . . . . . 22 LEU CB . 50008 1 95 . 1 . 1 22 22 LEU N N 15 121.706 0.1 . . . . . . . 22 LEU N . 50008 1 96 . 1 . 1 23 23 GLN H H 1 8.227 0.03 . . . . . . . 23 GLN HN . 50008 1 97 . 1 . 1 23 23 GLN C C 13 176.048 0.2 . . . . . . . 23 GLN C . 50008 1 98 . 1 . 1 23 23 GLN CA C 13 56.448 0.2 . . . . . . . 23 GLN CA . 50008 1 99 . 1 . 1 23 23 GLN CB C 13 29.235 0.2 . . . . . . . 23 GLN CB . 50008 1 100 . 1 . 1 23 23 GLN N N 15 119.209 0.1 . . . . . . . 23 GLN N . 50008 1 101 . 1 . 1 24 24 ASN H H 1 8.323 0.03 . . . . . . . 24 ASN HN . 50008 1 102 . 1 . 1 24 24 ASN C C 13 176.815 0.2 . . . . . . . 24 ASN C . 50008 1 103 . 1 . 1 24 24 ASN CA C 13 53.742 0.2 . . . . . . . 24 ASN CA . 50008 1 104 . 1 . 1 24 24 ASN CB C 13 38.764 0.2 . . . . . . . 24 ASN CB . 50008 1 105 . 1 . 1 24 24 ASN N N 15 119.149 0.1 . . . . . . . 24 ASN N . 50008 1 106 . 1 . 1 25 25 ILE H H 1 8.012 0.03 . . . . . . . 25 ILE HN . 50008 1 107 . 1 . 1 25 25 ILE C C 13 175.531 0.2 . . . . . . . 25 ILE C . 50008 1 108 . 1 . 1 25 25 ILE CA C 13 62.092 0.2 . . . . . . . 25 ILE CA . 50008 1 109 . 1 . 1 25 25 ILE CB C 13 38.629 0.2 . . . . . . . 25 ILE CB . 50008 1 110 . 1 . 1 25 25 ILE N N 15 121.095 0.1 . . . . . . . 25 ILE N . 50008 1 111 . 1 . 1 26 26 ILE H H 1 8.136 0.03 . . . . . . . 26 ILE HN . 50008 1 112 . 1 . 1 26 26 ILE C C 13 175.796 0.2 . . . . . . . 26 ILE C . 50008 1 113 . 1 . 1 26 26 ILE CA C 13 61.738 0.2 . . . . . . . 26 ILE CA . 50008 1 114 . 1 . 1 26 26 ILE CB C 13 38.412 0.2 . . . . . . . 26 ILE CB . 50008 1 115 . 1 . 1 26 26 ILE N N 15 124.169 0.1 . . . . . . . 26 ILE N . 50008 1 116 . 1 . 1 27 27 ALA H H 1 8.241 0.03 . . . . . . . 27 ALA HN . 50008 1 117 . 1 . 1 27 27 ALA C C 13 174.222 0.2 . . . . . . . 27 ALA C . 50008 1 118 . 1 . 1 27 27 ALA CA C 13 52.909 0.2 . . . . . . . 27 ALA CA . 50008 1 119 . 1 . 1 27 27 ALA CB C 13 19.091 0.2 . . . . . . . 27 ALA CB . 50008 1 120 . 1 . 1 27 27 ALA N N 15 126.975 0.1 . . . . . . . 27 ALA N . 50008 1 121 . 1 . 1 28 28 GLN H H 1 8.302 0.03 . . . . . . . 28 GLN HN . 50008 1 122 . 1 . 1 28 28 GLN C C 13 178.125 0.2 . . . . . . . 28 GLN C . 50008 1 123 . 1 . 1 28 28 GLN CA C 13 55.994 0.2 . . . . . . . 28 GLN CA . 50008 1 124 . 1 . 1 28 28 GLN CB C 13 30.294 0.2 . . . . . . . 28 GLN CB . 50008 1 125 . 1 . 1 28 28 GLN N N 15 119.225 0.1 . . . . . . . 28 GLN N . 50008 1 126 . 1 . 1 29 29 GLU H H 1 8.081 0.03 . . . . . . . 29 GLU HN . 50008 1 127 . 1 . 1 29 29 GLU CA C 13 56.428 0.2 . . . . . . . 29 GLU CA . 50008 1 128 . 1 . 1 29 29 GLU CB C 13 30.101 0.2 . . . . . . . 29 GLU CB . 50008 1 129 . 1 . 1 29 29 GLU N N 15 126.689 0.1 . . . . . . . 29 GLU N . 50008 1 130 . 1 . 1 30 30 ARG H H 1 8.360 0.03 . . . . . . . 30 ARG HN . 50008 1 131 . 1 . 1 30 30 ARG C C 13 175.810 0.2 . . . . . . . 30 ARG C . 50008 1 132 . 1 . 1 30 30 ARG CA C 13 56.275 0.2 . . . . . . . 30 ARG CA . 50008 1 133 . 1 . 1 30 30 ARG CB C 13 30.699 0.2 . . . . . . . 30 ARG CB . 50008 1 134 . 1 . 1 30 30 ARG N N 15 122.050 0.1 . . . . . . . 30 ARG N . 50008 1 135 . 1 . 1 31 31 ALA H H 1 8.259 0.03 . . . . . . . 31 ALA HN . 50008 1 136 . 1 . 1 31 31 ALA C C 13 174.337 0.2 . . . . . . . 31 ALA C . 50008 1 137 . 1 . 1 31 31 ALA CA C 13 52.714 0.2 . . . . . . . 31 ALA CA . 50008 1 138 . 1 . 1 31 31 ALA CB C 13 19.159 0.2 . . . . . . . 31 ALA CB . 50008 1 139 . 1 . 1 31 31 ALA N N 15 124.861 0.1 . . . . . . . 31 ALA N . 50008 1 140 . 1 . 1 32 32 GLN H H 1 8.384 0.03 . . . . . . . 32 GLN HN . 50008 1 141 . 1 . 1 32 32 GLN C C 13 175.972 0.2 . . . . . . . 32 GLN C . 50008 1 142 . 1 . 1 32 32 GLN CA C 13 56.026 0.2 . . . . . . . 32 GLN CA . 50008 1 143 . 1 . 1 32 32 GLN CB C 13 29.497 0.2 . . . . . . . 32 GLN CB . 50008 1 144 . 1 . 1 32 32 GLN N N 15 119.661 0.1 . . . . . . . 32 GLN N . 50008 1 145 . 1 . 1 33 33 GLU H H 1 8.407 0.03 . . . . . . . 33 GLU HN . 50008 1 146 . 1 . 1 33 33 GLU C C 13 175.037 0.2 . . . . . . . 33 GLU C . 50008 1 147 . 1 . 1 33 33 GLU CA C 13 57.020 0.2 . . . . . . . 33 GLU CA . 50008 1 148 . 1 . 1 33 33 GLU CB C 13 30.159 0.2 . . . . . . . 33 GLU CB . 50008 1 149 . 1 . 1 33 33 GLU N N 15 122.006 0.1 . . . . . . . 33 GLU N . 50008 1 150 . 1 . 1 34 34 GLY H H 1 8.479 0.03 . . . . . . . 34 GLY HN . 50008 1 151 . 1 . 1 34 34 GLY CA C 13 45.334 0.2 . . . . . . . 34 GLY CA . 50008 1 152 . 1 . 1 34 34 GLY N N 15 110.080 0.1 . . . . . . . 34 GLY N . 50008 1 153 . 1 . 1 35 35 GLN H H 1 8.209 0.03 . . . . . . . 35 GLN HN . 50008 1 154 . 1 . 1 35 35 GLN C C 13 177.218 0.2 . . . . . . . 35 GLN C . 50008 1 155 . 1 . 1 35 35 GLN CA C 13 55.771 0.2 . . . . . . . 35 GLN CA . 50008 1 156 . 1 . 1 35 35 GLN CB C 13 29.915 0.2 . . . . . . . 35 GLN CB . 50008 1 157 . 1 . 1 35 35 GLN N N 15 119.510 0.1 . . . . . . . 35 GLN N . 50008 1 158 . 1 . 1 36 36 THR H H 1 7.973 0.03 . . . . . . . 36 THR HN . 50008 1 159 . 1 . 1 36 36 THR CA C 13 58.684 0.2 . . . . . . . 36 THR CA . 50008 1 160 . 1 . 1 36 36 THR CB C 13 70.633 0.2 . . . . . . . 36 THR CB . 50008 1 161 . 1 . 1 36 36 THR N N 15 115.392 0.1 . . . . . . . 36 THR N . 50008 1 162 . 1 . 1 37 37 PRO C C 13 175.033 0.2 . . . . . . . 37 PRO C . 50008 1 163 . 1 . 1 37 37 PRO CA C 13 63.329 0.2 . . . . . . . 37 PRO CA . 50008 1 164 . 1 . 1 37 37 PRO CB C 13 32.124 0.2 . . . . . . . 37 PRO CB . 50008 1 165 . 1 . 1 38 38 ASP H H 1 8.497 0.03 . . . . . . . 38 ASP HN . 50008 1 166 . 1 . 1 38 38 ASP C C 13 175.388 0.2 . . . . . . . 38 ASP C . 50008 1 167 . 1 . 1 38 38 ASP CA C 13 54.798 0.2 . . . . . . . 38 ASP CA . 50008 1 168 . 1 . 1 38 38 ASP CB C 13 40.760 0.2 . . . . . . . 38 ASP CB . 50008 1 169 . 1 . 1 38 38 ASP N N 15 121.059 0.1 . . . . . . . 38 ASP N . 50008 1 170 . 1 . 1 39 39 TYR H H 1 7.571 0.03 . . . . . . . 39 TYR HN . 50008 1 171 . 1 . 1 39 39 TYR CA C 13 58.165 0.2 . . . . . . . 39 TYR CA . 50008 1 172 . 1 . 1 39 39 TYR CB C 13 38.551 0.2 . . . . . . . 39 TYR CB . 50008 1 173 . 1 . 1 39 39 TYR N N 15 118.985 0.1 . . . . . . . 39 TYR N . 50008 1 174 . 1 . 1 40 40 LEU H H 1 8.004 0.03 . . . . . . . 40 LEU HN . 50008 1 175 . 1 . 1 40 40 LEU CA C 13 59.387 0.2 . . . . . . . 40 LEU CA . 50008 1 176 . 1 . 1 40 40 LEU CB C 13 38.961 0.2 . . . . . . . 40 LEU CB . 50008 1 177 . 1 . 1 40 40 LEU N N 15 123.118 0.1 . . . . . . . 40 LEU N . 50008 1 178 . 1 . 1 41 41 PRO C C 13 172.399 0.2 . . . . . . . 41 PRO C . 50008 1 179 . 1 . 1 41 41 PRO CA C 13 66.597 0.2 . . . . . . . 41 PRO CA . 50008 1 180 . 1 . 1 41 41 PRO CB C 13 31.144 0.2 . . . . . . . 41 PRO CB . 50008 1 181 . 1 . 1 42 42 THR H H 1 7.412 0.03 . . . . . . . 42 THR HN . 50008 1 182 . 1 . 1 42 42 THR C C 13 175.912 0.2 . . . . . . . 42 THR C . 50008 1 183 . 1 . 1 42 42 THR CA C 13 66.093 0.2 . . . . . . . 42 THR CA . 50008 1 184 . 1 . 1 42 42 THR CB C 13 68.665 0.2 . . . . . . . 42 THR CB . 50008 1 185 . 1 . 1 42 42 THR N N 15 113.873 0.1 . . . . . . . 42 THR N . 50008 1 186 . 1 . 1 43 43 LEU H H 1 8.109 0.03 . . . . . . . 43 LEU HN . 50008 1 187 . 1 . 1 43 43 LEU C C 13 174.244 0.2 . . . . . . . 43 LEU C . 50008 1 188 . 1 . 1 43 43 LEU CA C 13 58.045 0.2 . . . . . . . 43 LEU CA . 50008 1 189 . 1 . 1 43 43 LEU CB C 13 41.557 0.2 . . . . . . . 43 LEU CB . 50008 1 190 . 1 . 1 43 43 LEU N N 15 124.138 0.1 . . . . . . . 43 LEU N . 50008 1 191 . 1 . 1 44 44 ARG H H 1 8.583 0.03 . . . . . . . 44 ARG HN . 50008 1 192 . 1 . 1 44 44 ARG C C 13 174.556 0.2 . . . . . . . 44 ARG C . 50008 1 193 . 1 . 1 44 44 ARG CA C 13 60.956 0.2 . . . . . . . 44 ARG CA . 50008 1 194 . 1 . 1 44 44 ARG CB C 13 30.546 0.2 . . . . . . . 44 ARG CB . 50008 1 195 . 1 . 1 44 44 ARG N N 15 118.101 0.1 . . . . . . . 44 ARG N . 50008 1 196 . 1 . 1 45 45 LYS H H 1 7.439 0.03 . . . . . . . 45 LYS HN . 50008 1 197 . 1 . 1 45 45 LYS C C 13 173.665 0.2 . . . . . . . 45 LYS C . 50008 1 198 . 1 . 1 45 45 LYS CA C 13 59.903 0.2 . . . . . . . 45 LYS CA . 50008 1 199 . 1 . 1 45 45 LYS CB C 13 32.563 0.2 . . . . . . . 45 LYS CB . 50008 1 200 . 1 . 1 45 45 LYS N N 15 117.434 0.1 . . . . . . . 45 LYS N . 50008 1 201 . 1 . 1 46 46 ALA H H 1 7.971 0.03 . . . . . . . 46 ALA HN . 50008 1 202 . 1 . 1 46 46 ALA C C 13 171.081 0.2 . . . . . . . 46 ALA C . 50008 1 203 . 1 . 1 46 46 ALA CA C 13 55.053 0.2 . . . . . . . 46 ALA CA . 50008 1 204 . 1 . 1 46 46 ALA CB C 13 18.477 0.2 . . . . . . . 46 ALA CB . 50008 1 205 . 1 . 1 46 46 ALA N N 15 122.174 0.1 . . . . . . . 46 ALA N . 50008 1 206 . 1 . 1 47 47 LEU H H 1 8.491 0.03 . . . . . . . 47 LEU HN . 50008 1 207 . 1 . 1 47 47 LEU C C 13 173.460 0.2 . . . . . . . 47 LEU C . 50008 1 208 . 1 . 1 47 47 LEU CA C 13 57.794 0.2 . . . . . . . 47 LEU CA . 50008 1 209 . 1 . 1 47 47 LEU CB C 13 41.981 0.2 . . . . . . . 47 LEU CB . 50008 1 210 . 1 . 1 47 47 LEU N N 15 117.397 0.1 . . . . . . . 47 LEU N . 50008 1 211 . 1 . 1 48 48 MET H H 1 8.107 0.03 . . . . . . . 48 MET HN . 50008 1 212 . 1 . 1 48 48 MET C C 13 173.736 0.2 . . . . . . . 48 MET C . 50008 1 213 . 1 . 1 48 48 MET CA C 13 59.220 0.2 . . . . . . . 48 MET CA . 50008 1 214 . 1 . 1 48 48 MET CB C 13 32.272 0.2 . . . . . . . 48 MET CB . 50008 1 215 . 1 . 1 48 48 MET N N 15 118.374 0.1 . . . . . . . 48 MET N . 50008 1 216 . 1 . 1 49 49 GLU H H 1 8.061 0.03 . . . . . . . 49 GLU HN . 50008 1 217 . 1 . 1 49 49 GLU C C 13 172.881 0.2 . . . . . . . 49 GLU C . 50008 1 218 . 1 . 1 49 49 GLU CA C 13 59.840 0.2 . . . . . . . 49 GLU CA . 50008 1 219 . 1 . 1 49 49 GLU CB C 13 29.556 0.2 . . . . . . . 49 GLU CB . 50008 1 220 . 1 . 1 49 49 GLU N N 15 119.371 0.1 . . . . . . . 49 GLU N . 50008 1 221 . 1 . 1 50 50 VAL H H 1 7.562 0.03 . . . . . . . 50 VAL HN . 50008 1 222 . 1 . 1 50 50 VAL CA C 13 66.041 0.2 . . . . . . . 50 VAL CA . 50008 1 223 . 1 . 1 50 50 VAL CB C 13 32.122 0.2 . . . . . . . 50 VAL CB . 50008 1 224 . 1 . 1 50 50 VAL N N 15 118.190 0.1 . . . . . . . 50 VAL N . 50008 1 225 . 1 . 1 51 51 LEU H H 1 8.322 0.03 . . . . . . . 51 LEU HN . 50008 1 226 . 1 . 1 51 51 LEU C C 13 173.352 0.2 . . . . . . . 51 LEU C . 50008 1 227 . 1 . 1 51 51 LEU CA C 13 58.479 0.2 . . . . . . . 51 LEU CA . 50008 1 228 . 1 . 1 51 51 LEU CB C 13 42.178 0.2 . . . . . . . 51 LEU CB . 50008 1 229 . 1 . 1 51 51 LEU N N 15 118.892 0.1 . . . . . . . 51 LEU N . 50008 1 230 . 1 . 1 52 52 SER H H 1 8.213 0.03 . . . . . . . 52 SER HN . 50008 1 231 . 1 . 1 52 52 SER C C 13 176.498 0.2 . . . . . . . 52 SER C . 50008 1 232 . 1 . 1 52 52 SER CA C 13 61.193 0.2 . . . . . . . 52 SER CA . 50008 1 233 . 1 . 1 52 52 SER CB C 13 63.456 0.2 . . . . . . . 52 SER CB . 50008 1 234 . 1 . 1 52 52 SER N N 15 112.228 0.1 . . . . . . . 52 SER N . 50008 1 235 . 1 . 1 53 53 LYS H H 1 7.320 0.03 . . . . . . . 53 LYS HN . 50008 1 236 . 1 . 1 53 53 LYS C C 13 175.036 0.2 . . . . . . . 53 LYS C . 50008 1 237 . 1 . 1 53 53 LYS CA C 13 57.767 0.2 . . . . . . . 53 LYS CA . 50008 1 238 . 1 . 1 53 53 LYS CB C 13 32.355 0.2 . . . . . . . 53 LYS CB . 50008 1 239 . 1 . 1 53 53 LYS N N 15 119.412 0.1 . . . . . . . 53 LYS N . 50008 1 240 . 1 . 1 54 54 TYR H H 1 8.039 0.03 . . . . . . . 54 TYR HN . 50008 1 241 . 1 . 1 54 54 TYR C C 13 176.321 0.2 . . . . . . . 54 TYR C . 50008 1 242 . 1 . 1 54 54 TYR CA C 13 60.156 0.2 . . . . . . . 54 TYR CA . 50008 1 243 . 1 . 1 54 54 TYR CB C 13 41.230 0.2 . . . . . . . 54 TYR CB . 50008 1 244 . 1 . 1 54 54 TYR N N 15 115.826 0.1 . . . . . . . 54 TYR N . 50008 1 245 . 1 . 1 55 55 VAL H H 1 8.236 0.03 . . . . . . . 55 VAL HN . 50008 1 246 . 1 . 1 55 55 VAL CA C 13 60.218 0.2 . . . . . . . 55 VAL CA . 50008 1 247 . 1 . 1 55 55 VAL CB C 13 34.368 0.2 . . . . . . . 55 VAL CB . 50008 1 248 . 1 . 1 55 55 VAL N N 15 114.094 0.1 . . . . . . . 55 VAL N . 50008 1 249 . 1 . 1 56 56 ASN CA C 13 53.381 0.2 . . . . . . . 56 ASN CA . 50008 1 250 . 1 . 1 56 56 ASN CB C 13 37.594 0.2 . . . . . . . 56 ASN CB . 50008 1 251 . 1 . 1 57 57 VAL H H 1 7.752 0.03 . . . . . . . 57 VAL HN . 50008 1 252 . 1 . 1 57 57 VAL C C 13 177.815 0.2 . . . . . . . 57 VAL C . 50008 1 253 . 1 . 1 57 57 VAL CA C 13 59.872 0.2 . . . . . . . 57 VAL CA . 50008 1 254 . 1 . 1 57 57 VAL CB C 13 35.067 0.2 . . . . . . . 57 VAL CB . 50008 1 255 . 1 . 1 57 57 VAL N N 15 116.319 0.1 . . . . . . . 57 VAL N . 50008 1 256 . 1 . 1 58 58 SER H H 1 8.523 0.03 . . . . . . . 58 SER HN . 50008 1 257 . 1 . 1 58 58 SER C C 13 176.484 0.2 . . . . . . . 58 SER C . 50008 1 258 . 1 . 1 58 58 SER CA C 13 56.916 0.2 . . . . . . . 58 SER CA . 50008 1 259 . 1 . 1 58 58 SER CB C 13 65.154 0.2 . . . . . . . 58 SER CB . 50008 1 260 . 1 . 1 58 58 SER N N 15 118.196 0.1 . . . . . . . 58 SER N . 50008 1 261 . 1 . 1 59 59 LEU H H 1 8.667 0.03 . . . . . . . 59 LEU HN . 50008 1 262 . 1 . 1 59 59 LEU C C 13 173.632 0.2 . . . . . . . 59 LEU C . 50008 1 263 . 1 . 1 59 59 LEU CA C 13 57.492 0.2 . . . . . . . 59 LEU CA . 50008 1 264 . 1 . 1 59 59 LEU CB C 13 41.762 0.2 . . . . . . . 59 LEU CB . 50008 1 265 . 1 . 1 59 59 LEU N N 15 123.437 0.1 . . . . . . . 59 LEU N . 50008 1 266 . 1 . 1 60 60 ASP H H 1 8.106 0.03 . . . . . . . 60 ASP HN . 50008 1 267 . 1 . 1 60 60 ASP C C 13 175.464 0.2 . . . . . . . 60 ASP C . 50008 1 268 . 1 . 1 60 60 ASP CA C 13 55.832 0.2 . . . . . . . 60 ASP CA . 50008 1 269 . 1 . 1 60 60 ASP CB C 13 40.453 0.2 . . . . . . . 60 ASP CB . 50008 1 270 . 1 . 1 60 60 ASP N N 15 114.890 0.1 . . . . . . . 60 ASP N . 50008 1 271 . 1 . 1 61 61 ASN H H 1 7.888 0.03 . . . . . . . 61 ASN HN . 50008 1 272 . 1 . 1 61 61 ASN C C 13 178.359 0.2 . . . . . . . 61 ASN C . 50008 1 273 . 1 . 1 61 61 ASN CA C 13 54.421 0.2 . . . . . . . 61 ASN CA . 50008 1 274 . 1 . 1 61 61 ASN CB C 13 39.675 0.2 . . . . . . . 61 ASN CB . 50008 1 275 . 1 . 1 61 61 ASN N N 15 116.047 0.1 . . . . . . . 61 ASN N . 50008 1 276 . 1 . 1 62 62 ILE H H 1 7.609 0.03 . . . . . . . 62 ILE HN . 50008 1 277 . 1 . 1 62 62 ILE C C 13 178.034 0.2 . . . . . . . 62 ILE C . 50008 1 278 . 1 . 1 62 62 ILE CA C 13 61.166 0.2 . . . . . . . 62 ILE CA . 50008 1 279 . 1 . 1 62 62 ILE CB C 13 39.233 0.2 . . . . . . . 62 ILE CB . 50008 1 280 . 1 . 1 62 62 ILE N N 15 119.486 0.1 . . . . . . . 62 ILE N . 50008 1 281 . 1 . 1 63 63 ARG H H 1 8.773 0.03 . . . . . . . 63 ARG HN . 50008 1 282 . 1 . 1 63 63 ARG C C 13 177.012 0.2 . . . . . . . 63 ARG C . 50008 1 283 . 1 . 1 63 63 ARG CA C 13 55.484 0.2 . . . . . . . 63 ARG CA . 50008 1 284 . 1 . 1 63 63 ARG CB C 13 32.224 0.2 . . . . . . . 63 ARG CB . 50008 1 285 . 1 . 1 63 63 ARG N N 15 128.100 0.1 . . . . . . . 63 ARG N . 50008 1 286 . 1 . 1 64 64 ILE H H 1 8.614 0.03 . . . . . . . 64 ILE HN . 50008 1 287 . 1 . 1 64 64 ILE C C 13 177.574 0.2 . . . . . . . 64 ILE C . 50008 1 288 . 1 . 1 64 64 ILE CA C 13 60.206 0.2 . . . . . . . 64 ILE CA . 50008 1 289 . 1 . 1 64 64 ILE CB C 13 40.975 0.2 . . . . . . . 64 ILE CB . 50008 1 290 . 1 . 1 64 64 ILE N N 15 123.595 0.1 . . . . . . . 64 ILE N . 50008 1 291 . 1 . 1 65 65 SER H H 1 9.108 0.03 . . . . . . . 65 SER HN . 50008 1 292 . 1 . 1 65 65 SER C C 13 179.905 0.2 . . . . . . . 65 SER C . 50008 1 293 . 1 . 1 65 65 SER CA C 13 56.975 0.2 . . . . . . . 65 SER CA . 50008 1 294 . 1 . 1 65 65 SER CB C 13 65.427 0.2 . . . . . . . 65 SER CB . 50008 1 295 . 1 . 1 65 65 SER N N 15 122.138 0.1 . . . . . . . 65 SER N . 50008 1 296 . 1 . 1 66 66 GLN H H 1 8.583 0.03 . . . . . . . 66 GLN HN . 50008 1 297 . 1 . 1 66 66 GLN C C 13 177.440 0.2 . . . . . . . 66 GLN C . 50008 1 298 . 1 . 1 66 66 GLN CA C 13 55.177 0.2 . . . . . . . 66 GLN CA . 50008 1 299 . 1 . 1 66 66 GLN CB C 13 31.330 0.2 . . . . . . . 66 GLN CB . 50008 1 300 . 1 . 1 66 66 GLN N N 15 123.236 0.1 . . . . . . . 66 GLN N . 50008 1 301 . 1 . 1 67 67 GLU H H 1 8.860 0.03 . . . . . . . 67 GLU HN . 50008 1 302 . 1 . 1 67 67 GLU C C 13 177.020 0.2 . . . . . . . 67 GLU C . 50008 1 303 . 1 . 1 67 67 GLU CA C 13 54.575 0.2 . . . . . . . 67 GLU CA . 50008 1 304 . 1 . 1 67 67 GLU CB C 13 33.667 0.2 . . . . . . . 67 GLU CB . 50008 1 305 . 1 . 1 67 67 GLU N N 15 124.018 0.1 . . . . . . . 67 GLU N . 50008 1 306 . 1 . 1 68 68 LYS H H 1 8.716 0.03 . . . . . . . 68 LYS HN . 50008 1 307 . 1 . 1 68 68 LYS C C 13 175.485 0.2 . . . . . . . 68 LYS C . 50008 1 308 . 1 . 1 68 68 LYS CA C 13 55.191 0.2 . . . . . . . 68 LYS CA . 50008 1 309 . 1 . 1 68 68 LYS CB C 13 34.269 0.2 . . . . . . . 68 LYS CB . 50008 1 310 . 1 . 1 68 68 LYS N N 15 123.038 0.1 . . . . . . . 68 LYS N . 50008 1 311 . 1 . 1 69 69 GLN H H 1 8.882 0.03 . . . . . . . 69 GLN HN . 50008 1 312 . 1 . 1 69 69 GLN C C 13 176.700 0.2 . . . . . . . 69 GLN C . 50008 1 313 . 1 . 1 69 69 GLN CA C 13 54.968 0.2 . . . . . . . 69 GLN CA . 50008 1 314 . 1 . 1 69 69 GLN CB C 13 31.123 0.2 . . . . . . . 69 GLN CB . 50008 1 315 . 1 . 1 69 69 GLN N N 15 123.758 0.1 . . . . . . . 69 GLN N . 50008 1 316 . 1 . 1 70 70 ASP H H 1 9.258 0.03 . . . . . . . 70 ASP HN . 50008 1 317 . 1 . 1 70 70 ASP C C 13 176.356 0.2 . . . . . . . 70 ASP C . 50008 1 318 . 1 . 1 70 70 ASP CA C 13 55.537 0.2 . . . . . . . 70 ASP CA . 50008 1 319 . 1 . 1 70 70 ASP CB C 13 40.022 0.2 . . . . . . . 70 ASP CB . 50008 1 320 . 1 . 1 70 70 ASP N N 15 126.204 0.1 . . . . . . . 70 ASP N . 50008 1 321 . 1 . 1 71 71 GLY H H 1 8.559 0.03 . . . . . . . 71 GLY HN . 50008 1 322 . 1 . 1 71 71 GLY C C 13 178.251 0.2 . . . . . . . 71 GLY C . 50008 1 323 . 1 . 1 71 71 GLY CA C 13 45.548 0.2 . . . . . . . 71 GLY CA . 50008 1 324 . 1 . 1 71 71 GLY N N 15 104.694 0.1 . . . . . . . 71 GLY N . 50008 1 325 . 1 . 1 72 72 MET H H 1 7.907 0.03 . . . . . . . 72 MET HN . 50008 1 326 . 1 . 1 72 72 MET C C 13 177.086 0.2 . . . . . . . 72 MET C . 50008 1 327 . 1 . 1 72 72 MET CA C 13 53.962 0.2 . . . . . . . 72 MET CA . 50008 1 328 . 1 . 1 72 72 MET CB C 13 34.436 0.2 . . . . . . . 72 MET CB . 50008 1 329 . 1 . 1 72 72 MET N N 15 119.707 0.1 . . . . . . . 72 MET N . 50008 1 330 . 1 . 1 73 73 ASP H H 1 8.835 0.03 . . . . . . . 73 ASP HN . 50008 1 331 . 1 . 1 73 73 ASP C C 13 177.527 0.2 . . . . . . . 73 ASP C . 50008 1 332 . 1 . 1 73 73 ASP CA C 13 55.337 0.2 . . . . . . . 73 ASP CA . 50008 1 333 . 1 . 1 73 73 ASP CB C 13 42.621 0.2 . . . . . . . 73 ASP CB . 50008 1 334 . 1 . 1 73 73 ASP N N 15 122.543 0.1 . . . . . . . 73 ASP N . 50008 1 335 . 1 . 1 74 74 VAL H H 1 8.697 0.03 . . . . . . . 74 VAL HN . 50008 1 336 . 1 . 1 74 74 VAL C C 13 176.854 0.2 . . . . . . . 74 VAL C . 50008 1 337 . 1 . 1 74 74 VAL CA C 13 60.630 0.2 . . . . . . . 74 VAL CA . 50008 1 338 . 1 . 1 74 74 VAL CB C 13 35.267 0.2 . . . . . . . 74 VAL CB . 50008 1 339 . 1 . 1 74 74 VAL N N 15 121.219 0.1 . . . . . . . 74 VAL N . 50008 1 340 . 1 . 1 75 75 LEU H H 1 9.168 0.03 . . . . . . . 75 LEU HN . 50008 1 341 . 1 . 1 75 75 LEU C C 13 177.427 0.2 . . . . . . . 75 LEU C . 50008 1 342 . 1 . 1 75 75 LEU CA C 13 53.615 0.2 . . . . . . . 75 LEU CA . 50008 1 343 . 1 . 1 75 75 LEU CB C 13 44.784 0.2 . . . . . . . 75 LEU CB . 50008 1 344 . 1 . 1 75 75 LEU N N 15 127.052 0.1 . . . . . . . 75 LEU N . 50008 1 345 . 1 . 1 76 76 GLU H H 1 8.966 0.03 . . . . . . . 76 GLU HN . 50008 1 346 . 1 . 1 76 76 GLU C C 13 177.041 0.2 . . . . . . . 76 GLU C . 50008 1 347 . 1 . 1 76 76 GLU CA C 13 54.752 0.2 . . . . . . . 76 GLU CA . 50008 1 348 . 1 . 1 76 76 GLU CB C 13 31.594 0.2 . . . . . . . 76 GLU CB . 50008 1 349 . 1 . 1 76 76 GLU N N 15 124.984 0.1 . . . . . . . 76 GLU N . 50008 1 350 . 1 . 1 77 77 LEU H H 1 9.122 0.03 . . . . . . . 77 LEU HN . 50008 1 351 . 1 . 1 77 77 LEU CA C 13 54.295 0.2 . . . . . . . 77 LEU CA . 50008 1 352 . 1 . 1 77 77 LEU CB C 13 44.663 0.2 . . . . . . . 77 LEU CB . 50008 1 353 . 1 . 1 77 77 LEU N N 15 125.011 0.1 . . . . . . . 77 LEU N . 50008 1 354 . 1 . 1 78 78 ASN H H 1 9.017 0.03 . . . . . . . 78 ASN HN . 50008 1 355 . 1 . 1 78 78 ASN C C 13 178.160 0.2 . . . . . . . 78 ASN C . 50008 1 356 . 1 . 1 78 78 ASN CA C 13 52.798 0.2 . . . . . . . 78 ASN CA . 50008 1 357 . 1 . 1 78 78 ASN CB C 13 42.413 0.2 . . . . . . . 78 ASN CB . 50008 1 358 . 1 . 1 78 78 ASN N N 15 122.748 0.1 . . . . . . . 78 ASN N . 50008 1 359 . 1 . 1 79 79 ILE H H 1 9.231 0.03 . . . . . . . 79 ILE HN . 50008 1 360 . 1 . 1 79 79 ILE C C 13 177.505 0.2 . . . . . . . 79 ILE C . 50008 1 361 . 1 . 1 79 79 ILE CA C 13 60.140 0.2 . . . . . . . 79 ILE CA . 50008 1 362 . 1 . 1 79 79 ILE CB C 13 41.881 0.2 . . . . . . . 79 ILE CB . 50008 1 363 . 1 . 1 79 79 ILE N N 15 125.704 0.1 . . . . . . . 79 ILE N . 50008 1 364 . 1 . 1 80 80 THR H H 1 8.634 0.03 . . . . . . . 80 THR HN . 50008 1 365 . 1 . 1 80 80 THR C C 13 178.532 0.2 . . . . . . . 80 THR C . 50008 1 366 . 1 . 1 80 80 THR CA C 13 62.503 0.2 . . . . . . . 80 THR CA . 50008 1 367 . 1 . 1 80 80 THR CB C 13 69.823 0.2 . . . . . . . 80 THR CB . 50008 1 368 . 1 . 1 80 80 THR N N 15 123.348 0.1 . . . . . . . 80 THR N . 50008 1 369 . 1 . 1 81 81 LEU H H 1 8.669 0.03 . . . . . . . 81 LEU HN . 50008 1 370 . 1 . 1 81 81 LEU CA C 13 52.227 0.2 . . . . . . . 81 LEU CA . 50008 1 371 . 1 . 1 81 81 LEU CB C 13 41.897 0.2 . . . . . . . 81 LEU CB . 50008 1 372 . 1 . 1 81 81 LEU N N 15 126.300 0.1 . . . . . . . 81 LEU N . 50008 1 373 . 1 . 1 82 82 PRO CA C 13 62.819 0.2 . . . . . . . 82 PRO CA . 50008 1 374 . 1 . 1 82 82 PRO CB C 13 32.242 0.2 . . . . . . . 82 PRO CB . 50008 1 375 . 1 . 1 83 83 GLU H H 1 8.416 0.03 . . . . . . . 83 GLU HN . 50008 1 376 . 1 . 1 83 83 GLU C C 13 175.306 0.2 . . . . . . . 83 GLU C . 50008 1 377 . 1 . 1 83 83 GLU CA C 13 56.842 0.2 . . . . . . . 83 GLU CA . 50008 1 378 . 1 . 1 83 83 GLU CB C 13 30.363 0.2 . . . . . . . 83 GLU CB . 50008 1 379 . 1 . 1 83 83 GLU N N 15 121.335 0.1 . . . . . . . 83 GLU N . 50008 1 380 . 1 . 1 84 84 GLN H H 1 8.638 0.03 . . . . . . . 84 GLN HN . 50008 1 381 . 1 . 1 84 84 GLN C C 13 176.148 0.2 . . . . . . . 84 GLN C . 50008 1 382 . 1 . 1 84 84 GLN CA C 13 55.885 0.2 . . . . . . . 84 GLN CA . 50008 1 383 . 1 . 1 84 84 GLN CB C 13 29.642 0.2 . . . . . . . 84 GLN CB . 50008 1 384 . 1 . 1 84 84 GLN N N 15 123.231 0.1 . . . . . . . 84 GLN N . 50008 1 385 . 1 . 1 85 85 LYS H H 1 8.433 0.03 . . . . . . . 85 LYS HN . 50008 1 386 . 1 . 1 85 85 LYS C C 13 175.666 0.2 . . . . . . . 85 LYS C . 50008 1 387 . 1 . 1 85 85 LYS CA C 13 56.356 0.2 . . . . . . . 85 LYS CA . 50008 1 388 . 1 . 1 85 85 LYS CB C 13 32.971 0.2 . . . . . . . 85 LYS CB . 50008 1 389 . 1 . 1 85 85 LYS N N 15 122.922 0.1 . . . . . . . 85 LYS N . 50008 1 390 . 1 . 1 86 86 LYS H H 1 8.186 0.03 . . . . . . . 86 LYS HN . 50008 1 391 . 1 . 1 86 86 LYS CA C 13 56.321 0.2 . . . . . . . 86 LYS CA . 50008 1 392 . 1 . 1 86 86 LYS N N 15 122.360 0.1 . . . . . . . 86 LYS N . 50008 1 393 . 1 . 1 87 87 VAL CA C 13 62.525 0.2 . . . . . . . 87 VAL CA . 50008 1 394 . 1 . 1 87 87 VAL CB C 13 32.678 0.2 . . . . . . . 87 VAL CB . 50008 1 395 . 1 . 1 88 88 LEU H H 1 8.323 0.03 . . . . . . . 88 LEU HN . 50008 1 396 . 1 . 1 88 88 LEU CA C 13 55.010 0.2 . . . . . . . 88 LEU CA . 50008 1 397 . 1 . 1 88 88 LEU CB C 13 42.364 0.2 . . . . . . . 88 LEU CB . 50008 1 398 . 1 . 1 88 88 LEU N N 15 126.195 0.1 . . . . . . . 88 LEU N . 50008 1 stop_ save_