data_27003 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27003 _Entry.Title ; Backbone assignment of human 4E-BP1 (fragment 44 to 87) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-01-19 _Entry.Accession_date 2017-01-19 _Entry.Last_release_date 2017-01-20 _Entry.Original_release_date 2017-01-20 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 'Backbone assignment of 4E-BP1' 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 Melissa Leger-Abraham . . . . 27003 2 Andras Boeszoermenyi . . . . 27003 3 Gerhard Wagner . . . . 27003 4 Haribabu Arthanari . . . . 27003 5 Naotaka Sekiyama . . . . 27003 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 27003 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Harvard Medical School' . 27003 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27003 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 108 27003 '15N chemical shifts' 37 27003 '1H chemical shifts' 37 27003 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2017-08-02 2017-01-20 update BMRB 'update entry citation' 27003 1 . . 2017-08-02 2017-01-20 original author 'original release' 27003 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26997 'human 4E-BP1 (fragment 44 to 87) (bound to mouse eIF4E)' 27003 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27003 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1007/s12104-017-9744-9 _Citation.PubMed_ID 28589219 _Citation.Full_citation . _Citation.Title ; (1)H, (13)C, and (15)N backbone chemical shift assignments of 4E-BP144-87 and 4E-BP144-87 bound to eIF4E ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 11 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 187 _Citation.Page_last 191 _Citation.Year 2017 _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 Naotaka Sekiyama N. . . . 27003 1 2 Andras Boeszoermenyi A. . . . 27003 1 3 Haribabu Arthanari H. . . . 27003 1 4 Gerhard Wagner G. . . . 27003 1 5 Melissa Leger-Abraham M. . . . 27003 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27003 _Assembly.ID 1 _Assembly.Name 'human 4E-BP1 (fragment 44 to 87)' _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 . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 5124.7813 _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 '4EBP1 44 to 87 unbound' 1 $4EBP1_44to87_unbound A . yes native no no . . . 27003 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_4EBP1_44to87_unbound _Entity.Sf_category entity _Entity.Sf_framecode 4EBP1_44to87_unbound _Entity.Entry_ID 27003 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 4EBP1_44to87_unbound _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GEFSTTPGGTRIIYDRKFLM ECRNSPVTKTPPRDLPTIPG VTSPSSD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'G, E, F are not part of 4EBP1 sequence, they come from cleaving the tag' _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 47 _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 5124.7813 _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 -3 GLY . 27003 1 2 -2 GLU . 27003 1 3 -1 PHE . 27003 1 4 44 SER . 27003 1 5 45 THR . 27003 1 6 46 THR . 27003 1 7 47 PRO . 27003 1 8 48 GLY . 27003 1 9 49 GLY . 27003 1 10 50 THR . 27003 1 11 51 ARG . 27003 1 12 52 ILE . 27003 1 13 53 ILE . 27003 1 14 54 TYR . 27003 1 15 55 ASP . 27003 1 16 56 ARG . 27003 1 17 57 LYS . 27003 1 18 58 PHE . 27003 1 19 59 LEU . 27003 1 20 60 MET . 27003 1 21 61 GLU . 27003 1 22 62 CYS . 27003 1 23 63 ARG . 27003 1 24 64 ASN . 27003 1 25 65 SER . 27003 1 26 66 PRO . 27003 1 27 67 VAL . 27003 1 28 68 THR . 27003 1 29 69 LYS . 27003 1 30 70 THR . 27003 1 31 71 PRO . 27003 1 32 72 PRO . 27003 1 33 73 ARG . 27003 1 34 74 ASP . 27003 1 35 75 LEU . 27003 1 36 76 PRO . 27003 1 37 77 THR . 27003 1 38 78 ILE . 27003 1 39 79 PRO . 27003 1 40 80 GLY . 27003 1 41 81 VAL . 27003 1 42 82 THR . 27003 1 43 83 SER . 27003 1 44 84 PRO . 27003 1 45 85 SER . 27003 1 46 86 SER . 27003 1 47 87 ASP . 27003 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 27003 1 . GLU 2 2 27003 1 . PHE 3 3 27003 1 . SER 4 4 27003 1 . THR 5 5 27003 1 . THR 6 6 27003 1 . PRO 7 7 27003 1 . GLY 8 8 27003 1 . GLY 9 9 27003 1 . THR 10 10 27003 1 . ARG 11 11 27003 1 . ILE 12 12 27003 1 . ILE 13 13 27003 1 . TYR 14 14 27003 1 . ASP 15 15 27003 1 . ARG 16 16 27003 1 . LYS 17 17 27003 1 . PHE 18 18 27003 1 . LEU 19 19 27003 1 . MET 20 20 27003 1 . GLU 21 21 27003 1 . CYS 22 22 27003 1 . ARG 23 23 27003 1 . ASN 24 24 27003 1 . SER 25 25 27003 1 . PRO 26 26 27003 1 . VAL 27 27 27003 1 . THR 28 28 27003 1 . LYS 29 29 27003 1 . THR 30 30 27003 1 . PRO 31 31 27003 1 . PRO 32 32 27003 1 . ARG 33 33 27003 1 . ASP 34 34 27003 1 . LEU 35 35 27003 1 . PRO 36 36 27003 1 . THR 37 37 27003 1 . ILE 38 38 27003 1 . PRO 39 39 27003 1 . GLY 40 40 27003 1 . VAL 41 41 27003 1 . THR 42 42 27003 1 . SER 43 43 27003 1 . PRO 44 44 27003 1 . SER 45 45 27003 1 . SER 46 46 27003 1 . ASP 47 47 27003 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27003 _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 $4EBP1_44to87_unbound . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27003 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27003 _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 $4EBP1_44to87_unbound . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Escherichia coli' . . . . . pET30 . . . 27003 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27003 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _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 4EBP1_44to87_unbound '[U-13C; U-15N]' . . 1 $4EBP1_44to87_unbound . . 0.25 0.1 0.4 mM . . . . 27003 1 2 NaH2PO4/Na2HPO4 'natural abundance' . . . . . . 20 . . mM . . . . 27003 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 27003 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 27003 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 27003 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.07 . M 27003 1 pH 6.5 . pH 27003 1 pressure 1 . atm 27003 1 temperature 298 . K 27003 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 27003 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version 1.9.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Wuthrich . . 27003 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Backbone assignment' 27003 1 stop_ save_ save_Assignment _Method.Sf_category method _Method.Sf_framecode Assignment _Method.Entry_ID 27003 _Method.ID 1 _Method.Derivation_type . _Method.Details Assignment _Method.Computer_ID . _Method.Computer_label . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Varian_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Varian_600 _NMR_spectrometer.Entry_ID 27003 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27003 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 Varian_600 Varian INOVA . 600 . . . 27003 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27003 _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 $Varian_600 . . . . . . . . . . . . . . . . 27003 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian_600 . . . . . . . . . . . . . . . . 27003 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian_600 . . . . . . . . . . . . . . . . 27003 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian_600 . . . . . . . . . . . . . . . . 27003 1 5 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian_600 . . . . . . . . . . . . . . . . 27003 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian_600 . . . . . . . . . . . . . . . . 27003 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27003 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.251 . . . . . 27003 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal indirect 1 . . . . . 27003 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101 . . . . . 27003 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 27003 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; Origin xeasy file /nmr/data/Leger/4E-BP_assignment_deposition/alone/chemical_shift_alone.prot ; _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' . . isotropic 27003 1 2 '3D HNCA' . . . 27003 1 3 '3D HN(CO)CA' . . . 27003 1 4 '3D HNCO' . . . 27003 1 5 '3D HNCACO' . . . 27003 1 6 '3D HNCACB' . . . 27003 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 $CARA 1 $Assignment 27003 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 SER H H 1 8.279 . . 1 . . 13 . . 44 SER H . 27003 1 2 . 1 1 4 4 SER C C 13 174.434 . . 1 . . 115 . . 44 SER C . 27003 1 3 . 1 1 4 4 SER CA C 13 57.806 . . 1 . . 79 . . 44 SER CA . 27003 1 4 . 1 1 4 4 SER CB C 13 63.816 . . 1 . . 145 . . 44 SER CB . 27003 1 5 . 1 1 4 4 SER N N 15 115.973 . . 1 . . 14 . . 44 SER N . 27003 1 6 . 1 1 5 5 THR H H 1 8.119 . . 1 . . 11 . . 45 THR H . 27003 1 7 . 1 1 5 5 THR C C 13 174.485 . . 1 . . 114 . . 45 THR C . 27003 1 8 . 1 1 5 5 THR CA C 13 61.451 . . 1 . . 78 . . 45 THR CA . 27003 1 9 . 1 1 5 5 THR CB C 13 69.406 . . 1 . . 144 . . 45 THR CB . 27003 1 10 . 1 1 5 5 THR N N 15 115.436 . . 1 . . 12 . . 45 THR N . 27003 1 11 . 1 1 6 6 THR H H 1 8.105 . . 1 . . 23 . . 46 THR H . 27003 1 12 . 1 1 6 6 THR C C 13 173.061 . . 1 . . 176 . . 46 THR C . 27003 1 13 . 1 1 6 6 THR CA C 13 59.588 . . 1 . . 84 . . 46 THR CA . 27003 1 14 . 1 1 6 6 THR CB C 13 69.401 . . 1 . . 150 . . 46 THR CB . 27003 1 15 . 1 1 6 6 THR N N 15 118.237 . . 1 . . 24 . . 46 THR N . 27003 1 16 . 1 1 8 8 GLY H H 1 8.373 . . 1 . . 3 . . 48 GLY H . 27003 1 17 . 1 1 8 8 GLY C C 13 174.784 . . 1 . . 110 . . 48 GLY C . 27003 1 18 . 1 1 8 8 GLY CA C 13 44.968 . . 1 . . 74 . . 48 GLY CA . 27003 1 19 . 1 1 8 8 GLY N N 15 109.318 . . 1 . . 4 . . 48 GLY N . 27003 1 20 . 1 1 9 9 GLY H H 1 8.123 . . 1 . . 1 . . 49 GLY H . 27003 1 21 . 1 1 9 9 GLY C C 13 174.267 . . 1 . . 109 . . 49 GLY C . 27003 1 22 . 1 1 9 9 GLY CA C 13 45.008 . . 1 . . 73 . . 49 GLY CA . 27003 1 23 . 1 1 9 9 GLY N N 15 108.616 . . 1 . . 2 . . 49 GLY N . 27003 1 24 . 1 1 10 10 THR H H 1 7.936 . . 1 . . 7 . . 50 THR H . 27003 1 25 . 1 1 10 10 THR C C 13 174.322 . . 1 . . 112 . . 50 THR C . 27003 1 26 . 1 1 10 10 THR CA C 13 61.816 . . 1 . . 76 . . 50 THR CA . 27003 1 27 . 1 1 10 10 THR CB C 13 69.301 . . 1 . . 142 . . 50 THR CB . 27003 1 28 . 1 1 10 10 THR N N 15 114.174 . . 1 . . 8 . . 50 THR N . 27003 1 29 . 1 1 11 11 ARG H H 1 8.233 . . 1 . . 63 . . 51 ARG H . 27003 1 30 . 1 1 11 11 ARG C C 13 175.721 . . 1 . . 137 . . 51 ARG C . 27003 1 31 . 1 1 11 11 ARG CA C 13 55.822 . . 1 . . 104 . . 51 ARG CA . 27003 1 32 . 1 1 11 11 ARG CB C 13 30.004 . . 1 . . 170 . . 51 ARG CB . 27003 1 33 . 1 1 11 11 ARG N N 15 123.912 . . 1 . . 64 . . 51 ARG N . 27003 1 34 . 1 1 12 12 ILE H H 1 8.041 . . 1 . . 57 . . 52 ILE H . 27003 1 35 . 1 1 12 12 ILE C C 13 175.517 . . 1 . . 134 . . 52 ILE C . 27003 1 36 . 1 1 12 12 ILE CA C 13 60.803 . . 1 . . 101 . . 52 ILE CA . 27003 1 37 . 1 1 12 12 ILE CB C 13 37.795 . . 1 . . 167 . . 52 ILE CB . 27003 1 38 . 1 1 12 12 ILE N N 15 123.316 . . 1 . . 58 . . 52 ILE N . 27003 1 39 . 1 1 13 13 ILE H H 1 7.960 . . 1 . . 71 . . 53 ILE H . 27003 1 40 . 1 1 13 13 ILE C C 13 175.741 . . 1 . . 141 . . 53 ILE C . 27003 1 41 . 1 1 13 13 ILE CA C 13 60.317 . . 1 . . 108 . . 53 ILE CA . 27003 1 42 . 1 1 13 13 ILE CB C 13 37.822 . . 1 . . 174 . . 53 ILE CB . 27003 1 43 . 1 1 13 13 ILE N N 15 125.036 . . 1 . . 72 . . 53 ILE N . 27003 1 44 . 1 1 14 14 TYR H H 1 8.114 . . 1 . . 67 . . 54 TYR H . 27003 1 45 . 1 1 14 14 TYR C C 13 175.220 . . 1 . . 139 . . 54 TYR C . 27003 1 46 . 1 1 14 14 TYR CA C 13 57.523 . . 1 . . 106 . . 54 TYR CA . 27003 1 47 . 1 1 14 14 TYR CB C 13 38.461 . . 1 . . 172 . . 54 TYR CB . 27003 1 48 . 1 1 14 14 TYR N N 15 124.739 . . 1 . . 68 . . 54 TYR N . 27003 1 49 . 1 1 15 15 ASP H H 1 8.109 . . 1 . . 53 . . 55 ASP H . 27003 1 50 . 1 1 15 15 ASP C C 13 176.119 . . 1 . . 132 . . 55 ASP C . 27003 1 51 . 1 1 15 15 ASP CA C 13 53.756 . . 1 . . 99 . . 55 ASP CA . 27003 1 52 . 1 1 15 15 ASP CB C 13 41.122 . . 1 . . 165 . . 55 ASP CB . 27003 1 53 . 1 1 15 15 ASP N N 15 122.120 . . 1 . . 54 . . 55 ASP N . 27003 1 54 . 1 1 16 16 ARG H H 1 8.147 . . 1 . . 51 . . 56 ARG H . 27003 1 55 . 1 1 16 16 ARG C C 13 176.766 . . 1 . . 131 . . 56 ARG C . 27003 1 56 . 1 1 16 16 ARG CA C 13 56.875 . . 1 . . 98 . . 56 ARG CA . 27003 1 57 . 1 1 16 16 ARG CB C 13 29.527 . . 1 . . 164 . . 56 ARG CB . 27003 1 58 . 1 1 16 16 ARG N N 15 121.839 . . 1 . . 52 . . 56 ARG N . 27003 1 59 . 1 1 17 17 LYS H H 1 8.152 . . 1 . . 47 . . 57 LYS H . 27003 1 60 . 1 1 17 17 LYS C C 13 176.947 . . 1 . . 129 . . 57 LYS C . 27003 1 61 . 1 1 17 17 LYS CA C 13 57.158 . . 1 . . 96 . . 57 LYS CA . 27003 1 62 . 1 1 17 17 LYS CB C 13 31.589 . . 1 . . 162 . . 57 LYS CB . 27003 1 63 . 1 1 17 17 LYS N N 15 120.655 . . 1 . . 48 . . 57 LYS N . 27003 1 64 . 1 1 18 18 PHE H H 1 7.891 . . 1 . . 33 . . 58 PHE H . 27003 1 65 . 1 1 18 18 PHE C C 13 176.027 . . 1 . . 122 . . 58 PHE C . 27003 1 66 . 1 1 18 18 PHE CA C 13 58.090 . . 1 . . 89 . . 58 PHE CA . 27003 1 67 . 1 1 18 18 PHE CB C 13 38.741 . . 1 . . 155 . . 58 PHE CB . 27003 1 68 . 1 1 18 18 PHE N N 15 119.597 . . 1 . . 34 . . 58 PHE N . 27003 1 69 . 1 1 19 19 LEU H H 1 7.854 . . 1 . . 55 . . 59 LEU H . 27003 1 70 . 1 1 19 19 LEU C C 13 177.478 . . 1 . . 133 . . 59 LEU C . 27003 1 71 . 1 1 19 19 LEU CA C 13 55.417 . . 1 . . 100 . . 59 LEU CA . 27003 1 72 . 1 1 19 19 LEU CB C 13 41.385 . . 1 . . 166 . . 59 LEU CB . 27003 1 73 . 1 1 19 19 LEU N N 15 121.738 . . 1 . . 56 . . 59 LEU N . 27003 1 74 . 1 1 20 20 MET H H 1 7.998 . . 1 . . 35 . . 60 MET H . 27003 1 75 . 1 1 20 20 MET C C 13 176.508 . . 1 . . 123 . . 60 MET C . 27003 1 76 . 1 1 20 20 MET CA C 13 55.619 . . 1 . . 90 . . 60 MET CA . 27003 1 77 . 1 1 20 20 MET CB C 13 32.142 . . 1 . . 156 . . 60 MET CB . 27003 1 78 . 1 1 20 20 MET N N 15 119.640 . . 1 . . 36 . . 60 MET N . 27003 1 79 . 1 1 21 21 GLU H H 1 8.140 . . 1 . . 49 . . 61 GLU H . 27003 1 80 . 1 1 21 21 GLU C C 13 176.559 . . 1 . . 130 . . 61 GLU C . 27003 1 81 . 1 1 21 21 GLU CA C 13 56.591 . . 1 . . 97 . . 61 GLU CA . 27003 1 82 . 1 1 21 21 GLU CB C 13 29.497 . . 1 . . 163 . . 61 GLU CB . 27003 1 83 . 1 1 21 21 GLU N N 15 121.166 . . 1 . . 50 . . 61 GLU N . 27003 1 84 . 1 1 22 22 CYS H H 1 8.156 . . 1 . . 41 . . 62 CYS H . 27003 1 85 . 1 1 22 22 CYS C C 13 174.802 . . 1 . . 126 . . 62 CYS C . 27003 1 86 . 1 1 22 22 CYS CA C 13 58.738 . . 1 . . 93 . . 62 CYS CA . 27003 1 87 . 1 1 22 22 CYS CB C 13 27.657 . . 1 . . 158 . . 62 CYS CB . 27003 1 88 . 1 1 22 22 CYS N N 15 119.957 . . 1 . . 42 . . 62 CYS N . 27003 1 89 . 1 1 23 23 ARG H H 1 8.208 . . 1 . . 61 . . 63 ARG H . 27003 1 90 . 1 1 23 23 ARG C C 13 175.997 . . 1 . . 136 . . 63 ARG C . 27003 1 91 . 1 1 23 23 ARG CA C 13 56.105 . . 1 . . 103 . . 63 ARG CA . 27003 1 92 . 1 1 23 23 ARG CB C 13 29.845 . . 1 . . 169 . . 63 ARG CB . 27003 1 93 . 1 1 23 23 ARG N N 15 122.863 . . 1 . . 62 . . 63 ARG N . 27003 1 94 . 1 1 24 24 ASN H H 1 8.232 . . 1 . . 29 . . 64 ASN H . 27003 1 95 . 1 1 24 24 ASN C C 13 174.689 . . 1 . . 120 . . 64 ASN C . 27003 1 96 . 1 1 24 24 ASN CA C 13 52.946 . . 1 . . 87 . . 64 ASN CA . 27003 1 97 . 1 1 24 24 ASN CB C 13 38.690 . . 1 . . 153 . . 64 ASN CB . 27003 1 98 . 1 1 24 24 ASN N N 15 118.968 . . 1 . . 30 . . 64 ASN N . 27003 1 99 . 1 1 25 25 SER H H 1 8.032 . . 1 . . 15 . . 65 SER H . 27003 1 100 . 1 1 25 25 SER C C 13 172.575 . . 1 . . 116 . . 65 SER C . 27003 1 101 . 1 1 25 25 SER CA C 13 56.267 . . 1 . . 80 . . 65 SER CA . 27003 1 102 . 1 1 25 25 SER CB C 13 63.309 . . 1 . . 146 . . 65 SER CB . 27003 1 103 . 1 1 25 25 SER N N 15 117.144 . . 1 . . 16 . . 65 SER N . 27003 1 104 . 1 1 27 27 VAL H H 1 8.077 . . 1 . . 37 . . 67 VAL H . 27003 1 105 . 1 1 27 27 VAL C C 13 176.395 . . 1 . . 124 . . 67 VAL C . 27003 1 106 . 1 1 27 27 VAL CA C 13 62.099 . . 1 . . 91 . . 67 VAL CA . 27003 1 107 . 1 1 27 27 VAL CB C 13 31.889 . . 1 . . 157 . . 67 VAL CB . 27003 1 108 . 1 1 27 27 VAL N N 15 120.010 . . 1 . . 38 . . 67 VAL N . 27003 1 109 . 1 1 28 28 THR H H 1 8.058 . . 1 . . 25 . . 68 THR H . 27003 1 110 . 1 1 28 28 THR C C 13 174.162 . . 1 . . 177 . . 68 THR C . 27003 1 111 . 1 1 28 28 THR CA C 13 61.411 . . 1 . . 85 . . 68 THR CA . 27003 1 112 . 1 1 28 28 THR CB C 13 69.401 . . 1 . . 151 . . 68 THR CB . 27003 1 113 . 1 1 28 28 THR N N 15 118.339 . . 1 . . 26 . . 68 THR N . 27003 1 114 . 1 1 29 29 LYS H H 1 8.239 . . 1 . . 65 . . 69 LYS H . 27003 1 115 . 1 1 29 29 LYS C C 13 176.222 . . 1 . . 138 . . 69 LYS C . 27003 1 116 . 1 1 29 29 LYS CA C 13 55.822 . . 1 . . 105 . . 69 LYS CA . 27003 1 117 . 1 1 29 29 LYS CB C 13 32.335 . . 1 . . 171 . . 69 LYS CB . 27003 1 118 . 1 1 29 29 LYS N N 15 124.214 . . 1 . . 66 . . 69 LYS N . 27003 1 119 . 1 1 30 30 THR H H 1 8.118 . . 1 . . 27 . . 70 THR H . 27003 1 120 . 1 1 30 30 THR C C 13 172.268 . . 1 . . 119 . . 70 THR C . 27003 1 121 . 1 1 30 30 THR CA C 13 59.710 . . 1 . . 86 . . 70 THR CA . 27003 1 122 . 1 1 30 30 THR CB C 13 69.378 . . 1 . . 152 . . 70 THR CB . 27003 1 123 . 1 1 30 30 THR N N 15 118.634 . . 1 . . 28 . . 70 THR N . 27003 1 124 . 1 1 33 33 ARG H H 1 8.229 . . 1 . . 43 . . 73 ARG H . 27003 1 125 . 1 1 33 33 ARG C C 13 175.874 . . 1 . . 127 . . 73 ARG C . 27003 1 126 . 1 1 33 33 ARG CA C 13 55.700 . . 1 . . 94 . . 73 ARG CA . 27003 1 127 . 1 1 33 33 ARG CB C 13 30.239 . . 1 . . 160 . . 73 ARG CB . 27003 1 128 . 1 1 33 33 ARG N N 15 120.559 . . 1 . . 44 . . 73 ARG N . 27003 1 129 . 1 1 34 34 ASP H H 1 8.177 . . 1 . . 45 . . 74 ASP H . 27003 1 130 . 1 1 34 34 ASP C C 13 175.527 . . 1 . . 128 . . 74 ASP C . 27003 1 131 . 1 1 34 34 ASP CA C 13 53.878 . . 1 . . 95 . . 74 ASP CA . 27003 1 132 . 1 1 34 34 ASP CB C 13 40.612 . . 1 . . 161 . . 74 ASP CB . 27003 1 133 . 1 1 34 34 ASP N N 15 120.543 . . 1 . . 46 . . 74 ASP N . 27003 1 134 . 1 1 35 35 LEU H H 1 7.951 . . 1 . . 59 . . 75 LEU H . 27003 1 135 . 1 1 35 35 LEU C C 13 175.190 . . 1 . . 135 . . 75 LEU C . 27003 1 136 . 1 1 35 35 LEU CA C 13 52.703 . . 1 . . 102 . . 75 LEU CA . 27003 1 137 . 1 1 35 35 LEU CB C 13 41.045 . . 1 . . 168 . . 75 LEU CB . 27003 1 138 . 1 1 35 35 LEU N N 15 123.252 . . 1 . . 60 . . 75 LEU N . 27003 1 139 . 1 1 37 37 THR H H 1 8.099 . . 1 . . 9 . . 77 THR H . 27003 1 140 . 1 1 37 37 THR C C 13 174.228 . . 1 . . 113 . . 77 THR C . 27003 1 141 . 1 1 37 37 THR CA C 13 61.512 . . 1 . . 77 . . 77 THR CA . 27003 1 142 . 1 1 37 37 THR CB C 13 69.440 . . 1 . . 143 . . 77 THR CB . 27003 1 143 . 1 1 37 37 THR N N 15 114.950 . . 1 . . 10 . . 77 THR N . 27003 1 144 . 1 1 38 38 ILE H H 1 8.103 . . 1 . . 69 . . 78 ILE H . 27003 1 145 . 1 1 38 38 ILE C C 13 174.383 . . 1 . . 140 . . 78 ILE C . 27003 1 146 . 1 1 38 38 ILE CA C 13 58.171 . . 1 . . 107 . . 78 ILE CA . 27003 1 147 . 1 1 38 38 ILE CB C 13 38.016 . . 1 . . 173 . . 78 ILE CB . 27003 1 148 . 1 1 38 38 ILE N N 15 124.979 . . 1 . . 70 . . 78 ILE N . 27003 1 149 . 1 1 40 40 GLY H H 1 8.301 . . 1 . . 5 . . 80 GLY H . 27003 1 150 . 1 1 40 40 GLY C C 13 174.025 . . 1 . . 111 . . 80 GLY C . 27003 1 151 . 1 1 40 40 GLY CA C 13 44.927 . . 1 . . 75 . . 80 GLY CA . 27003 1 152 . 1 1 40 40 GLY N N 15 109.383 . . 1 . . 6 . . 80 GLY N . 27003 1 153 . 1 1 41 41 VAL H H 1 7.844 . . 1 . . 31 . . 81 VAL H . 27003 1 154 . 1 1 41 41 VAL C C 13 176.395 . . 1 . . 121 . . 81 VAL C . 27003 1 155 . 1 1 41 41 VAL CA C 13 62.059 . . 1 . . 88 . . 81 VAL CA . 27003 1 156 . 1 1 41 41 VAL CB C 13 32.179 . . 1 . . 154 . . 81 VAL CB . 27003 1 157 . 1 1 41 41 VAL N N 15 119.586 . . 1 . . 32 . . 81 VAL N . 27003 1 158 . 1 1 42 42 THR H H 1 8.199 . . 1 . . 21 . . 82 THR H . 27003 1 159 . 1 1 42 42 THR C C 13 174.188 . . 1 . . 175 . . 82 THR C . 27003 1 160 . 1 1 42 42 THR CA C 13 61.386 . . 1 . . 83 . . 82 THR CA . 27003 1 161 . 1 1 42 42 THR CB C 13 69.402 . . 1 . . 149 . . 82 THR CB . 27003 1 162 . 1 1 42 42 THR N N 15 117.936 . . 1 . . 22 . . 82 THR N . 27003 1 163 . 1 1 43 43 SER H H 1 8.256 . . 1 . . 39 . . 83 SER H . 27003 1 164 . 1 1 43 43 SER C C 13 172.513 . . 1 . . 125 . . 83 SER C . 27003 1 165 . 1 1 43 43 SER CA C 13 56.146 . . 1 . . 92 . . 83 SER CA . 27003 1 166 . 1 1 43 43 SER CB C 13 63.322 . . 1 . . 159 . . 83 SER CB . 27003 1 167 . 1 1 43 43 SER N N 15 119.758 . . 1 . . 40 . . 83 SER N . 27003 1 168 . 1 1 45 45 SER H H 1 8.143 . . 1 . . 17 . . 85 SER H . 27003 1 169 . 1 1 45 45 SER C C 13 174.352 . . 1 . . 117 . . 85 SER C . 27003 1 170 . 1 1 45 45 SER CA C 13 57.928 . . 1 . . 81 . . 85 SER CA . 27003 1 171 . 1 1 45 45 SER CB C 13 63.844 . . 1 . . 147 . . 85 SER CB . 27003 1 172 . 1 1 45 45 SER N N 15 117.228 . . 1 . . 18 . . 85 SER N . 27003 1 173 . 1 1 46 46 SER H H 1 8.256 . . 1 . . 19 . . 86 SER H . 27003 1 174 . 1 1 46 46 SER C C 13 173.300 . . 1 . . 118 . . 86 SER C . 27003 1 175 . 1 1 46 46 SER CA C 13 57.968 . . 1 . . 82 . . 86 SER CA . 27003 1 176 . 1 1 46 46 SER CB C 13 64.043 . . 1 . . 148 . . 86 SER CB . 27003 1 177 . 1 1 46 46 SER N N 15 118.059 . . 1 . . 20 . . 86 SER N . 27003 1 178 . 1 1 47 47 ASP H H 1 7.887 . . 1 . . 181 . . 87 ASP H . 27003 1 179 . 1 1 47 47 ASP C C 13 172.813 . . 1 . . 180 . . 87 ASP C . 27003 1 180 . 1 1 47 47 ASP CA C 13 55.844 . . 1 . . 179 . . 87 ASP CA . 27003 1 181 . 1 1 47 47 ASP CB C 13 41.873 . . 1 . . 178 . . 87 ASP CB . 27003 1 182 . 1 1 47 47 ASP N N 15 127.424 . . 1 . . 182 . . 87 ASP N . 27003 1 stop_ save_