data_27648 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27648 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for KID domain (C90A, V118D) of CREB ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-10-12 _Entry.Accession_date 2018-10-12 _Entry.Last_release_date 2018-10-12 _Entry.Original_release_date 2018-10-12 _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 . _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 Sergey Shnitkind . . . . 27648 2 Jamie Ellis . P. . . 27648 3 'H. Jane' Dyson . . . . 27648 4 Peter Wright . E. . . 27648 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'The Scripps Research Institute' . 27648 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27648 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 226 27648 '15N chemical shifts' 72 27648 '1H chemical shifts' 72 27648 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 . . 2019-04-24 2018-10-12 update BMRB 'update entry citation' 27648 1 . . 2019-01-08 2018-10-12 original author 'original release' 27648 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27647 'Phosphorylated Kinase Inducible Domain (KID) of CREB' 27648 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27648 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30507144 _Citation.Full_citation . _Citation.Title ; Structural basis for graded inhibition of CREB:DNA interactions by multi-site phosphorylation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 57 _Citation.Journal_issue 51 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 6964 _Citation.Page_last 6972 _Citation.Year 2018 _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 Sergey Shnitkind . . . . 27648 1 2 Maria Martinez-Yamout . A. . . 27648 1 3 'H. Jane' Dyson . . . . 27648 1 4 Peter Wright . E. . . 27648 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27648 _Assembly.ID 1 _Assembly.Name KID _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 'Kinase Inducible Domain of CREB' _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 KID 1 $KID A . yes native no no . . . 27648 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_KID _Entity.Sf_category entity _Entity.Sf_framecode KID _Entity.Entry_ID 27648 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name KID _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 ; GTVQSSAKDLKRLFSGTQIS TIAESEDSQESVDSDTDSQK RREILSRRPSYRKILNDLSS DAPGVPRIEEEKSEEET ; _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 77 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'C90A, V118D' _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_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes SP P16220 . CREB1 . . . . . . . . . . . . . . 27648 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID Activator 27648 1 DNA-binding 27648 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 84 GLY . 27648 1 2 85 THR . 27648 1 3 86 VAL . 27648 1 4 87 GLN . 27648 1 5 88 SER . 27648 1 6 89 SER . 27648 1 7 90 ALA . 27648 1 8 91 LYS . 27648 1 9 92 ASP . 27648 1 10 93 LEU . 27648 1 11 94 LYS . 27648 1 12 95 ARG . 27648 1 13 96 LEU . 27648 1 14 97 PHE . 27648 1 15 98 SER . 27648 1 16 99 GLY . 27648 1 17 100 THR . 27648 1 18 101 GLN . 27648 1 19 102 ILE . 27648 1 20 103 SER . 27648 1 21 104 THR . 27648 1 22 105 ILE . 27648 1 23 106 ALA . 27648 1 24 107 GLU . 27648 1 25 108 SER . 27648 1 26 109 GLU . 27648 1 27 110 ASP . 27648 1 28 111 SER . 27648 1 29 112 GLN . 27648 1 30 113 GLU . 27648 1 31 114 SER . 27648 1 32 115 VAL . 27648 1 33 116 ASP . 27648 1 34 117 SER . 27648 1 35 118 ASP . 27648 1 36 119 THR . 27648 1 37 120 ASP . 27648 1 38 121 SER . 27648 1 39 122 GLN . 27648 1 40 123 LYS . 27648 1 41 124 ARG . 27648 1 42 125 ARG . 27648 1 43 126 GLU . 27648 1 44 127 ILE . 27648 1 45 128 LEU . 27648 1 46 129 SER . 27648 1 47 130 ARG . 27648 1 48 131 ARG . 27648 1 49 132 PRO . 27648 1 50 133 SER . 27648 1 51 134 TYR . 27648 1 52 135 ARG . 27648 1 53 136 LYS . 27648 1 54 137 ILE . 27648 1 55 138 LEU . 27648 1 56 139 ASN . 27648 1 57 140 ASP . 27648 1 58 141 LEU . 27648 1 59 142 SER . 27648 1 60 143 SER . 27648 1 61 144 ASP . 27648 1 62 145 ALA . 27648 1 63 146 PRO . 27648 1 64 147 GLY . 27648 1 65 148 VAL . 27648 1 66 149 PRO . 27648 1 67 150 ARG . 27648 1 68 151 ILE . 27648 1 69 152 GLU . 27648 1 70 153 GLU . 27648 1 71 154 GLU . 27648 1 72 155 LYS . 27648 1 73 156 SER . 27648 1 74 157 GLU . 27648 1 75 158 GLU . 27648 1 76 159 GLU . 27648 1 77 160 THR . 27648 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 27648 1 . THR 2 2 27648 1 . VAL 3 3 27648 1 . GLN 4 4 27648 1 . SER 5 5 27648 1 . SER 6 6 27648 1 . ALA 7 7 27648 1 . LYS 8 8 27648 1 . ASP 9 9 27648 1 . LEU 10 10 27648 1 . LYS 11 11 27648 1 . ARG 12 12 27648 1 . LEU 13 13 27648 1 . PHE 14 14 27648 1 . SER 15 15 27648 1 . GLY 16 16 27648 1 . THR 17 17 27648 1 . GLN 18 18 27648 1 . ILE 19 19 27648 1 . SER 20 20 27648 1 . THR 21 21 27648 1 . ILE 22 22 27648 1 . ALA 23 23 27648 1 . GLU 24 24 27648 1 . SER 25 25 27648 1 . GLU 26 26 27648 1 . ASP 27 27 27648 1 . SER 28 28 27648 1 . GLN 29 29 27648 1 . GLU 30 30 27648 1 . SER 31 31 27648 1 . VAL 32 32 27648 1 . ASP 33 33 27648 1 . SER 34 34 27648 1 . ASP 35 35 27648 1 . THR 36 36 27648 1 . ASP 37 37 27648 1 . SER 38 38 27648 1 . GLN 39 39 27648 1 . LYS 40 40 27648 1 . ARG 41 41 27648 1 . ARG 42 42 27648 1 . GLU 43 43 27648 1 . ILE 44 44 27648 1 . LEU 45 45 27648 1 . SER 46 46 27648 1 . ARG 47 47 27648 1 . ARG 48 48 27648 1 . PRO 49 49 27648 1 . SER 50 50 27648 1 . TYR 51 51 27648 1 . ARG 52 52 27648 1 . LYS 53 53 27648 1 . ILE 54 54 27648 1 . LEU 55 55 27648 1 . ASN 56 56 27648 1 . ASP 57 57 27648 1 . LEU 58 58 27648 1 . SER 59 59 27648 1 . SER 60 60 27648 1 . ASP 61 61 27648 1 . ALA 62 62 27648 1 . PRO 63 63 27648 1 . GLY 64 64 27648 1 . VAL 65 65 27648 1 . PRO 66 66 27648 1 . ARG 67 67 27648 1 . ILE 68 68 27648 1 . GLU 69 69 27648 1 . GLU 70 70 27648 1 . GLU 71 71 27648 1 . LYS 72 72 27648 1 . SER 73 73 27648 1 . GLU 74 74 27648 1 . GLU 75 75 27648 1 . GLU 76 76 27648 1 . THR 77 77 27648 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 27648 _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 $KID . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . 27648 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 27648 _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 $KID . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21(DE3) [DNAY]' . . . . . pET21a . . . 27648 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27648 _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 KID '[U-99% 13C; U-99% 15N]' . . 1 $KID . . 60 . . uM . . . . 27648 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 27648 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27648 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 27648 1 5 D2O '[U-99% 2H]' . . . . . . 5 . . % . . . . 27648 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 27648 _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 pH 6.0 . pH 27648 1 pressure 1 . atm 27648 1 temperature 298 . K 27648 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27648 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27648 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27648 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27648 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27648 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27648 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27648 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27648 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27648 3 'data analysis' 27648 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27648 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27648 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 800 . . . 27648 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 27648 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27648 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27648 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27648 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27648 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27648 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 27648 _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 0.00 . indirect 0.251449530 . . . . . 27648 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.000000000 . . . . . 27648 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . 27648 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27648 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27648 1 2 '3D HNCACB' . . . 27648 1 3 '3D CBCA(CO)NH' . . . 27648 1 4 '3D HNCO' . . . 27648 1 5 '3D HN(CA)CO' . . . 27648 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 3 $SPARKY . . 27648 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 2 2 THR C C 13 174.539 . . 1 . . . . . 85 T C . 27648 1 2 . 1 1 2 2 THR CA C 13 61.869 . . 1 . . . . . 85 T CA . 27648 1 3 . 1 1 2 2 THR CB C 13 69.977 . . 1 . . . . . 85 T CB . 27648 1 4 . 1 1 3 3 VAL H H 1 8.293 . . 1 . . . . . 86 V H . 27648 1 5 . 1 1 3 3 VAL C C 13 176.072 . . 1 . . . . . 86 V C . 27648 1 6 . 1 1 3 3 VAL CA C 13 62.401 . . 1 . . . . . 86 V CA . 27648 1 7 . 1 1 3 3 VAL CB C 13 32.601 . . 1 . . . . . 86 V CB . 27648 1 8 . 1 1 3 3 VAL N N 15 123.217 . . 1 . . . . . 86 V N . 27648 1 9 . 1 1 4 4 GLN H H 1 8.504 . . 1 . . . . . 87 Q H . 27648 1 10 . 1 1 4 4 GLN C C 13 175.928 . . 1 . . . . . 87 Q C . 27648 1 11 . 1 1 4 4 GLN CA C 13 55.737 . . 1 . . . . . 87 Q CA . 27648 1 12 . 1 1 4 4 GLN CB C 13 29.338 . . 1 . . . . . 87 Q CB . 27648 1 13 . 1 1 4 4 GLN N N 15 124.849 . . 1 . . . . . 87 Q N . 27648 1 14 . 1 1 5 5 SER H H 1 8.374 . . 1 . . . . . 88 S H . 27648 1 15 . 1 1 5 5 SER C C 13 174.484 . . 1 . . . . . 88 S C . 27648 1 16 . 1 1 5 5 SER CA C 13 58.346 . . 1 . . . . . 88 S CA . 27648 1 17 . 1 1 5 5 SER CB C 13 63.775 . . 1 . . . . . 88 S CB . 27648 1 18 . 1 1 5 5 SER N N 15 117.778 . . 1 . . . . . 88 S N . 27648 1 19 . 1 1 6 6 SER H H 1 8.405 . . 1 . . . . . 89 S H . 27648 1 20 . 1 1 6 6 SER C C 13 174.408 . . 1 . . . . . 89 S C . 27648 1 21 . 1 1 6 6 SER CA C 13 58.245 . . 1 . . . . . 89 S CA . 27648 1 22 . 1 1 6 6 SER CB C 13 63.851 . . 1 . . . . . 89 S CB . 27648 1 23 . 1 1 6 6 SER N N 15 118.130 . . 1 . . . . . 89 S N . 27648 1 24 . 1 1 7 7 ALA H H 1 8.291 . . 1 . . . . . 90 A H . 27648 1 25 . 1 1 7 7 ALA C C 13 178.082 . . 1 . . . . . 90 A C . 27648 1 26 . 1 1 7 7 ALA CA C 13 53.034 . . 1 . . . . . 90 A CA . 27648 1 27 . 1 1 7 7 ALA CB C 13 18.886 . . 1 . . . . . 90 A CB . 27648 1 28 . 1 1 7 7 ALA N N 15 125.880 . . 1 . . . . . 90 A N . 27648 1 29 . 1 1 8 8 LYS H H 1 8.120 . . 1 . . . . . 91 K H . 27648 1 30 . 1 1 8 8 LYS C C 13 176.478 . . 1 . . . . . 91 K C . 27648 1 31 . 1 1 8 8 LYS CA C 13 56.791 . . 1 . . . . . 91 K CA . 27648 1 32 . 1 1 8 8 LYS CB C 13 32.773 . . 1 . . . . . 91 K CB . 27648 1 33 . 1 1 8 8 LYS N N 15 119.438 . . 1 . . . . . 91 K N . 27648 1 34 . 1 1 9 9 ASP H H 1 8.081 . . 1 . . . . . 92 D H . 27648 1 35 . 1 1 9 9 ASP C C 13 176.417 . . 1 . . . . . 92 D C . 27648 1 36 . 1 1 9 9 ASP CA C 13 54.358 . . 1 . . . . . 92 D CA . 27648 1 37 . 1 1 9 9 ASP CB C 13 40.883 . . 1 . . . . . 92 D CB . 27648 1 38 . 1 1 9 9 ASP N N 15 120.556 . . 1 . . . . . 92 D N . 27648 1 39 . 1 1 10 10 LEU H H 1 8.032 . . 1 . . . . . 93 L H . 27648 1 40 . 1 1 10 10 LEU C C 13 177.694 . . 1 . . . . . 93 L C . 27648 1 41 . 1 1 10 10 LEU CA C 13 55.701 . . 1 . . . . . 93 L CA . 27648 1 42 . 1 1 10 10 LEU CB C 13 42.090 . . 1 . . . . . 93 L CB . 27648 1 43 . 1 1 10 10 LEU N N 15 122.583 . . 1 . . . . . 93 L N . 27648 1 44 . 1 1 11 11 LYS H H 1 8.126 . . 1 . . . . . 94 K H . 27648 1 45 . 1 1 11 11 LYS C C 13 176.767 . . 1 . . . . . 94 K C . 27648 1 46 . 1 1 11 11 LYS CA C 13 56.823 . . 1 . . . . . 94 K CA . 27648 1 47 . 1 1 11 11 LYS CB C 13 32.305 . . 1 . . . . . 94 K CB . 27648 1 48 . 1 1 11 11 LYS N N 15 120.509 . . 1 . . . . . 94 K N . 27648 1 49 . 1 1 12 12 ARG H H 1 7.965 . . 1 . . . . . 95 R H . 27648 1 50 . 1 1 12 12 ARG C C 13 176.112 . . 1 . . . . . 95 R C . 27648 1 51 . 1 1 12 12 ARG CA C 13 56.266 . . 1 . . . . . 95 R CA . 27648 1 52 . 1 1 12 12 ARG CB C 13 30.485 . . 1 . . . . . 95 R CB . 27648 1 53 . 1 1 12 12 ARG N N 15 120.796 . . 1 . . . . . 95 R N . 27648 1 54 . 1 1 13 13 LEU H H 1 8.028 . . 1 . . . . . 96 L H . 27648 1 55 . 1 1 13 13 LEU C C 13 177.044 . . 1 . . . . . 96 L C . 27648 1 56 . 1 1 13 13 LEU CA C 13 55.329 . . 1 . . . . . 96 L CA . 27648 1 57 . 1 1 13 13 LEU CB C 13 42.356 . . 1 . . . . . 96 L CB . 27648 1 58 . 1 1 13 13 LEU N N 15 122.403 . . 1 . . . . . 96 L N . 27648 1 59 . 1 1 14 14 PHE H H 1 8.149 . . 1 . . . . . 97 F H . 27648 1 60 . 1 1 14 14 PHE C C 13 175.724 . . 1 . . . . . 97 F C . 27648 1 61 . 1 1 14 14 PHE CA C 13 57.562 . . 1 . . . . . 97 F CA . 27648 1 62 . 1 1 14 14 PHE CB C 13 39.455 . . 1 . . . . . 97 F CB . 27648 1 63 . 1 1 14 14 PHE N N 15 120.246 . . 1 . . . . . 97 F N . 27648 1 64 . 1 1 15 15 SER H H 1 8.170 . . 1 . . . . . 98 S H . 27648 1 65 . 1 1 15 15 SER C C 13 174.709 . . 1 . . . . . 98 S C . 27648 1 66 . 1 1 15 15 SER CA C 13 58.236 . . 1 . . . . . 98 S CA . 27648 1 67 . 1 1 15 15 SER CB C 13 63.780 . . 1 . . . . . 98 S CB . 27648 1 68 . 1 1 15 15 SER N N 15 117.318 . . 1 . . . . . 98 S N . 27648 1 69 . 1 1 16 16 GLY H H 1 7.982 . . 1 . . . . . 99 G H . 27648 1 70 . 1 1 16 16 GLY C C 13 174.142 . . 1 . . . . . 99 G C . 27648 1 71 . 1 1 16 16 GLY CA C 13 45.383 . . 1 . . . . . 99 G CA . 27648 1 72 . 1 1 16 16 GLY N N 15 110.384 . . 1 . . . . . 99 G N . 27648 1 73 . 1 1 17 17 THR H H 1 8.007 . . 1 . . . . . 100 T H . 27648 1 74 . 1 1 17 17 THR C C 13 174.404 . . 1 . . . . . 100 T C . 27648 1 75 . 1 1 17 17 THR CA C 13 62.006 . . 1 . . . . . 100 T CA . 27648 1 76 . 1 1 17 17 THR CB C 13 69.666 . . 1 . . . . . 100 T CB . 27648 1 77 . 1 1 17 17 THR N N 15 113.644 . . 1 . . . . . 100 T N . 27648 1 78 . 1 1 18 18 GLN H H 1 8.361 . . 1 . . . . . 101 Q H . 27648 1 79 . 1 1 18 18 GLN C C 13 175.632 . . 1 . . . . . 101 Q C . 27648 1 80 . 1 1 18 18 GLN CA C 13 55.678 . . 1 . . . . . 101 Q CA . 27648 1 81 . 1 1 18 18 GLN CB C 13 29.325 . . 1 . . . . . 101 Q CB . 27648 1 82 . 1 1 18 18 GLN N N 15 122.950 . . 1 . . . . . 101 Q N . 27648 1 83 . 1 1 19 19 ILE H H 1 8.152 . . 1 . . . . . 102 I H . 27648 1 84 . 1 1 19 19 ILE C C 13 176.115 . . 1 . . . . . 102 I C . 27648 1 85 . 1 1 19 19 ILE CA C 13 61.108 . . 1 . . . . . 102 I CA . 27648 1 86 . 1 1 19 19 ILE CB C 13 38.680 . . 1 . . . . . 102 I CB . 27648 1 87 . 1 1 19 19 ILE N N 15 122.230 . . 1 . . . . . 102 I N . 27648 1 88 . 1 1 20 20 SER H H 1 8.334 . . 1 . . . . . 103 S H . 27648 1 89 . 1 1 20 20 SER C C 13 174.599 . . 1 . . . . . 103 S C . 27648 1 90 . 1 1 20 20 SER CA C 13 58.127 . . 1 . . . . . 103 S CA . 27648 1 91 . 1 1 20 20 SER CB C 13 63.782 . . 1 . . . . . 103 S CB . 27648 1 92 . 1 1 20 20 SER N N 15 119.682 . . 1 . . . . . 103 S N . 27648 1 93 . 1 1 21 21 THR H H 1 8.138 . . 1 . . . . . 104 T H . 27648 1 94 . 1 1 21 21 THR C C 13 174.372 . . 1 . . . . . 104 T C . 27648 1 95 . 1 1 21 21 THR CA C 13 61.804 . . 1 . . . . . 104 T CA . 27648 1 96 . 1 1 21 21 THR CB C 13 69.592 . . 1 . . . . . 104 T CB . 27648 1 97 . 1 1 21 21 THR N N 15 116.260 . . 1 . . . . . 104 T N . 27648 1 98 . 1 1 22 22 ILE H H 1 8.015 . . 1 . . . . . 105 I H . 27648 1 99 . 1 1 22 22 ILE C C 13 175.755 . . 1 . . . . . 105 I C . 27648 1 100 . 1 1 22 22 ILE CA C 13 61.080 . . 1 . . . . . 105 I CA . 27648 1 101 . 1 1 22 22 ILE CB C 13 38.629 . . 1 . . . . . 105 I CB . 27648 1 102 . 1 1 22 22 ILE N N 15 122.736 . . 1 . . . . . 105 I N . 27648 1 103 . 1 1 23 23 ALA H H 1 8.283 . . 1 . . . . . 106 A H . 27648 1 104 . 1 1 23 23 ALA C C 13 177.540 . . 1 . . . . . 106 A C . 27648 1 105 . 1 1 23 23 ALA CA C 13 52.459 . . 1 . . . . . 106 A CA . 27648 1 106 . 1 1 23 23 ALA CB C 13 19.203 . . 1 . . . . . 106 A CB . 27648 1 107 . 1 1 23 23 ALA N N 15 128.122 . . 1 . . . . . 106 A N . 27648 1 108 . 1 1 24 24 GLU H H 1 8.309 . . 1 . . . . . 107 E H . 27648 1 109 . 1 1 24 24 GLU C C 13 176.438 . . 1 . . . . . 107 E C . 27648 1 110 . 1 1 24 24 GLU CA C 13 56.688 . . 1 . . . . . 107 E CA . 27648 1 111 . 1 1 24 24 GLU CB C 13 30.090 . . 1 . . . . . 107 E CB . 27648 1 112 . 1 1 24 24 GLU N N 15 120.341 . . 1 . . . . . 107 E N . 27648 1 113 . 1 1 25 25 SER H H 1 8.225 . . 1 . . . . . 108 S H . 27648 1 114 . 1 1 25 25 SER C C 13 174.589 . . 1 . . . . . 108 S C . 27648 1 115 . 1 1 25 25 SER CA C 13 58.248 . . 1 . . . . . 108 S CA . 27648 1 116 . 1 1 25 25 SER CB C 13 63.874 . . 1 . . . . . 108 S CB . 27648 1 117 . 1 1 25 25 SER N N 15 116.133 . . 1 . . . . . 108 S N . 27648 1 118 . 1 1 26 26 GLU H H 1 8.450 . . 1 . . . . . 109 E H . 27648 1 119 . 1 1 26 26 GLU C C 13 176.178 . . 1 . . . . . 109 E C . 27648 1 120 . 1 1 26 26 GLU CA C 13 56.717 . . 1 . . . . . 109 E CA . 27648 1 121 . 1 1 26 26 GLU CB C 13 30.081 . . 1 . . . . . 109 E CB . 27648 1 122 . 1 1 26 26 GLU N N 15 122.794 . . 1 . . . . . 109 E N . 27648 1 123 . 1 1 27 27 ASP H H 1 8.288 . . 1 . . . . . 110 D H . 27648 1 124 . 1 1 27 27 ASP C C 13 176.245 . . 1 . . . . . 110 D C . 27648 1 125 . 1 1 27 27 ASP CA C 13 54.258 . . 1 . . . . . 110 D CA . 27648 1 126 . 1 1 27 27 ASP CB C 13 41.063 . . 1 . . . . . 110 D CB . 27648 1 127 . 1 1 27 27 ASP N N 15 120.982 . . 1 . . . . . 110 D N . 27648 1 128 . 1 1 28 28 SER H H 1 8.177 . . 1 . . . . . 111 S H . 27648 1 129 . 1 1 28 28 SER C C 13 174.685 . . 1 . . . . . 111 S C . 27648 1 130 . 1 1 28 28 SER CA C 13 58.395 . . 1 . . . . . 111 S CA . 27648 1 131 . 1 1 28 28 SER CB C 13 63.668 . . 1 . . . . . 111 S CB . 27648 1 132 . 1 1 28 28 SER N N 15 116.210 . . 1 . . . . . 111 S N . 27648 1 133 . 1 1 29 29 GLN H H 1 8.369 . . 1 . . . . . 112 Q H . 27648 1 134 . 1 1 29 29 GLN C C 13 175.925 . . 1 . . . . . 112 Q C . 27648 1 135 . 1 1 29 29 GLN CA C 13 55.826 . . 1 . . . . . 112 Q CA . 27648 1 136 . 1 1 29 29 GLN CB C 13 29.307 . . 1 . . . . . 112 Q CB . 27648 1 137 . 1 1 29 29 GLN N N 15 121.951 . . 1 . . . . . 112 Q N . 27648 1 138 . 1 1 30 30 GLU H H 1 8.316 . . 1 . . . . . 113 E H . 27648 1 139 . 1 1 30 30 GLU C C 13 176.389 . . 1 . . . . . 113 E C . 27648 1 140 . 1 1 30 30 GLU CA C 13 56.686 . . 1 . . . . . 113 E CA . 27648 1 141 . 1 1 30 30 GLU CB C 13 30.143 . . 1 . . . . . 113 E CB . 27648 1 142 . 1 1 30 30 GLU N N 15 121.482 . . 1 . . . . . 113 E N . 27648 1 143 . 1 1 31 31 SER H H 1 8.298 . . 1 . . . . . 114 S H . 27648 1 144 . 1 1 31 31 SER C C 13 174.530 . . 1 . . . . . 114 S C . 27648 1 145 . 1 1 31 31 SER CA C 13 58.142 . . 1 . . . . . 114 S CA . 27648 1 146 . 1 1 31 31 SER CB C 13 63.731 . . 1 . . . . . 114 S CB . 27648 1 147 . 1 1 31 31 SER N N 15 117.009 . . 1 . . . . . 114 S N . 27648 1 148 . 1 1 32 32 VAL H H 1 8.133 . . 1 . . . . . 115 V H . 27648 1 149 . 1 1 32 32 VAL C C 13 175.857 . . 1 . . . . . 115 V C . 27648 1 150 . 1 1 32 32 VAL CA C 13 62.201 . . 1 . . . . . 115 V CA . 27648 1 151 . 1 1 32 32 VAL CB C 13 32.579 . . 1 . . . . . 115 V CB . 27648 1 152 . 1 1 32 32 VAL N N 15 121.470 . . 1 . . . . . 115 V N . 27648 1 153 . 1 1 33 33 ASP H H 1 8.329 . . 1 . . . . . 116 D H . 27648 1 154 . 1 1 33 33 ASP C C 13 176.209 . . 1 . . . . . 116 D C . 27648 1 155 . 1 1 33 33 ASP CA C 13 54.266 . . 1 . . . . . 116 D CA . 27648 1 156 . 1 1 33 33 ASP CB C 13 41.104 . . 1 . . . . . 116 D CB . 27648 1 157 . 1 1 33 33 ASP N N 15 123.489 . . 1 . . . . . 116 D N . 27648 1 158 . 1 1 34 34 SER H H 1 8.208 . . 1 . . . . . 117 S H . 27648 1 159 . 1 1 34 34 SER C C 13 174.517 . . 1 . . . . . 117 S C . 27648 1 160 . 1 1 34 34 SER CA C 13 58.575 . . 1 . . . . . 117 S CA . 27648 1 161 . 1 1 34 34 SER CB C 13 63.737 . . 1 . . . . . 117 S CB . 27648 1 162 . 1 1 34 34 SER N N 15 116.095 . . 1 . . . . . 117 S N . 27648 1 163 . 1 1 35 35 ASP H H 1 8.374 . . 1 . . . . . 118 D H . 27648 1 164 . 1 1 35 35 ASP C C 13 176.824 . . 1 . . . . . 118 D C . 27648 1 165 . 1 1 35 35 ASP CA C 13 54.529 . . 1 . . . . . 118 D CA . 27648 1 166 . 1 1 35 35 ASP CB C 13 40.975 . . 1 . . . . . 118 D CB . 27648 1 167 . 1 1 35 35 ASP N N 15 122.357 . . 1 . . . . . 118 D N . 27648 1 168 . 1 1 36 36 THR H H 1 8.065 . . 1 . . . . . 119 T H . 27648 1 169 . 1 1 36 36 THR C C 13 175.122 . . 1 . . . . . 119 T C . 27648 1 170 . 1 1 36 36 THR CA C 13 63.161 . . 1 . . . . . 119 T CA . 27648 1 171 . 1 1 36 36 THR CB C 13 69.286 . . 1 . . . . . 119 T CB . 27648 1 172 . 1 1 36 36 THR N N 15 114.468 . . 1 . . . . . 119 T N . 27648 1 173 . 1 1 37 37 ASP H H 1 8.286 . . 1 . . . . . 120 D H . 27648 1 174 . 1 1 37 37 ASP C C 13 177.145 . . 1 . . . . . 120 D C . 27648 1 175 . 1 1 37 37 ASP CA C 13 55.393 . . 1 . . . . . 120 D CA . 27648 1 176 . 1 1 37 37 ASP CB C 13 40.999 . . 1 . . . . . 120 D CB . 27648 1 177 . 1 1 37 37 ASP N N 15 122.478 . . 1 . . . . . 120 D N . 27648 1 178 . 1 1 38 38 SER H H 1 8.202 . . 1 . . . . . 121 S H . 27648 1 179 . 1 1 38 38 SER C C 13 175.776 . . 1 . . . . . 121 S C . 27648 1 180 . 1 1 38 38 SER CA C 13 60.111 . . 1 . . . . . 121 S CA . 27648 1 181 . 1 1 38 38 SER CB C 13 63.234 . . 1 . . . . . 121 S CB . 27648 1 182 . 1 1 38 38 SER N N 15 116.415 . . 1 . . . . . 121 S N . 27648 1 183 . 1 1 39 39 GLN H H 1 8.230 . . 1 . . . . . 122 Q H . 27648 1 184 . 1 1 39 39 GLN C C 13 177.144 . . 1 . . . . . 122 Q C . 27648 1 185 . 1 1 39 39 GLN CA C 13 57.494 . . 1 . . . . . 122 Q CA . 27648 1 186 . 1 1 39 39 GLN CB C 13 28.412 . . 1 . . . . . 122 Q CB . 27648 1 187 . 1 1 39 39 GLN N N 15 121.459 . . 1 . . . . . 122 Q N . 27648 1 188 . 1 1 40 40 LYS H H 1 7.998 . . 1 . . . . . 123 K H . 27648 1 189 . 1 1 40 40 LYS C C 13 177.570 . . 1 . . . . . 123 K C . 27648 1 190 . 1 1 40 40 LYS CA C 13 57.509 . . 1 . . . . . 123 K CA . 27648 1 191 . 1 1 40 40 LYS CB C 13 32.276 . . 1 . . . . . 123 K CB . 27648 1 192 . 1 1 40 40 LYS N N 15 120.275 . . 1 . . . . . 123 K N . 27648 1 193 . 1 1 41 41 ARG H H 1 8.001 . . 1 . . . . . 124 R H . 27648 1 194 . 1 1 41 41 ARG C C 13 177.091 . . 1 . . . . . 124 R C . 27648 1 195 . 1 1 41 41 ARG CA C 13 57.513 . . 1 . . . . . 124 R CA . 27648 1 196 . 1 1 41 41 ARG CB C 13 30.195 . . 1 . . . . . 124 R CB . 27648 1 197 . 1 1 41 41 ARG N N 15 119.893 . . 1 . . . . . 124 R N . 27648 1 198 . 1 1 42 42 ARG H H 1 8.043 . . 1 . . . . . 125 R H . 27648 1 199 . 1 1 42 42 ARG C C 13 177.300 . . 1 . . . . . 125 R C . 27648 1 200 . 1 1 42 42 ARG CA C 13 57.520 . . 1 . . . . . 125 R CA . 27648 1 201 . 1 1 42 42 ARG CB C 13 30.346 . . 1 . . . . . 125 R CB . 27648 1 202 . 1 1 42 42 ARG N N 15 120.250 . . 1 . . . . . 125 R N . 27648 1 203 . 1 1 43 43 GLU H H 1 8.181 . . 1 . . . . . 126 E H . 27648 1 204 . 1 1 43 43 GLU C C 13 177.353 . . 1 . . . . . 126 E C . 27648 1 205 . 1 1 43 43 GLU CA C 13 57.584 . . 1 . . . . . 126 E CA . 27648 1 206 . 1 1 43 43 GLU CB C 13 29.782 . . 1 . . . . . 126 E CB . 27648 1 207 . 1 1 43 43 GLU N N 15 121.125 . . 1 . . . . . 126 E N . 27648 1 208 . 1 1 44 44 ILE H H 1 7.989 . . 1 . . . . . 127 I H . 27648 1 209 . 1 1 44 44 ILE C C 13 177.233 . . 1 . . . . . 127 I C . 27648 1 210 . 1 1 44 44 ILE CA C 13 62.395 . . 1 . . . . . 127 I CA . 27648 1 211 . 1 1 44 44 ILE CB C 13 38.251 . . 1 . . . . . 127 I CB . 27648 1 212 . 1 1 44 44 ILE N N 15 121.016 . . 1 . . . . . 127 I N . 27648 1 213 . 1 1 45 45 LEU H H 1 8.094 . . 1 . . . . . 128 L H . 27648 1 214 . 1 1 45 45 LEU C C 13 177.871 . . 1 . . . . . 128 L C . 27648 1 215 . 1 1 45 45 LEU CA C 13 55.943 . . 1 . . . . . 128 L CA . 27648 1 216 . 1 1 45 45 LEU CB C 13 41.920 . . 1 . . . . . 128 L CB . 27648 1 217 . 1 1 45 45 LEU N N 15 123.376 . . 1 . . . . . 128 L N . 27648 1 218 . 1 1 46 46 SER H H 1 7.984 . . 1 . . . . . 129 S H . 27648 1 219 . 1 1 46 46 SER C C 13 174.360 . . 1 . . . . . 129 S C . 27648 1 220 . 1 1 46 46 SER CA C 13 58.866 . . 1 . . . . . 129 S CA . 27648 1 221 . 1 1 46 46 SER CB C 13 63.505 . . 1 . . . . . 129 S CB . 27648 1 222 . 1 1 46 46 SER N N 15 114.928 . . 1 . . . . . 129 S N . 27648 1 223 . 1 1 47 47 ARG H H 1 7.880 . . 1 . . . . . 130 R H . 27648 1 224 . 1 1 47 47 ARG C C 13 175.964 . . 1 . . . . . 130 R C . 27648 1 225 . 1 1 47 47 ARG CA C 13 55.945 . . 1 . . . . . 130 R CA . 27648 1 226 . 1 1 47 47 ARG CB C 13 30.608 . . 1 . . . . . 130 R CB . 27648 1 227 . 1 1 47 47 ARG N N 15 121.722 . . 1 . . . . . 130 R N . 27648 1 228 . 1 1 48 48 ARG H H 1 8.111 . . 1 . . . . . 131 R H . 27648 1 229 . 1 1 48 48 ARG C C 13 174.248 . . 1 . . . . . 131 R C . 27648 1 230 . 1 1 48 48 ARG CA C 13 54.114 . . 1 . . . . . 131 R CA . 27648 1 231 . 1 1 48 48 ARG CB C 13 30.136 . . 1 . . . . . 131 R CB . 27648 1 232 . 1 1 48 48 ARG N N 15 122.790 . . 1 . . . . . 131 R N . 27648 1 233 . 1 1 49 49 PRO C C 13 176.773 . . 1 . . . . . 132 P C . 27648 1 234 . 1 1 49 49 PRO CA C 13 63.364 . . 1 . . . . . 132 P CA . 27648 1 235 . 1 1 49 49 PRO CB C 13 31.950 . . 1 . . . . . 132 P CB . 27648 1 236 . 1 1 50 50 SER H H 1 8.250 . . 1 . . . . . 133 S H . 27648 1 237 . 1 1 50 50 SER C C 13 174.269 . . 1 . . . . . 133 S C . 27648 1 238 . 1 1 50 50 SER CA C 13 58.231 . . 1 . . . . . 133 S CA . 27648 1 239 . 1 1 50 50 SER CB C 13 63.624 . . 1 . . . . . 133 S CB . 27648 1 240 . 1 1 50 50 SER N N 15 115.127 . . 1 . . . . . 133 S N . 27648 1 241 . 1 1 51 51 TYR H H 1 8.044 . . 1 . . . . . 134 Y H . 27648 1 242 . 1 1 51 51 TYR C C 13 175.401 . . 1 . . . . . 134 Y C . 27648 1 243 . 1 1 51 51 TYR CA C 13 57.972 . . 1 . . . . . 134 Y CA . 27648 1 244 . 1 1 51 51 TYR CB C 13 38.655 . . 1 . . . . . 134 Y CB . 27648 1 245 . 1 1 51 51 TYR N N 15 122.217 . . 1 . . . . . 134 Y N . 27648 1 246 . 1 1 52 52 ARG H H 1 7.983 . . 1 . . . . . 135 R H . 27648 1 247 . 1 1 52 52 ARG C C 13 175.419 . . 1 . . . . . 135 R C . 27648 1 248 . 1 1 52 52 ARG CA C 13 55.892 . . 1 . . . . . 135 R CA . 27648 1 249 . 1 1 52 52 ARG CB C 13 30.837 . . 1 . . . . . 135 R CB . 27648 1 250 . 1 1 52 52 ARG N N 15 122.648 . . 1 . . . . . 135 R N . 27648 1 251 . 1 1 53 53 LYS H H 1 8.158 . . 1 . . . . . 136 K H . 27648 1 252 . 1 1 53 53 LYS C C 13 176.161 . . 1 . . . . . 136 K C . 27648 1 253 . 1 1 53 53 LYS CA C 13 56.504 . . 1 . . . . . 136 K CA . 27648 1 254 . 1 1 53 53 LYS CB C 13 32.882 . . 1 . . . . . 136 K CB . 27648 1 255 . 1 1 53 53 LYS N N 15 123.019 . . 1 . . . . . 136 K N . 27648 1 256 . 1 1 54 54 ILE H H 1 8.091 . . 1 . . . . . 137 I H . 27648 1 257 . 1 1 54 54 ILE C C 13 176.012 . . 1 . . . . . 137 I C . 27648 1 258 . 1 1 54 54 ILE CA C 13 61.005 . . 1 . . . . . 137 I CA . 27648 1 259 . 1 1 54 54 ILE CB C 13 38.413 . . 1 . . . . . 137 I CB . 27648 1 260 . 1 1 54 54 ILE N N 15 122.677 . . 1 . . . . . 137 I N . 27648 1 261 . 1 1 55 55 LEU H H 1 8.216 . . 1 . . . . . 138 L H . 27648 1 262 . 1 1 55 55 LEU C C 13 176.821 . . 1 . . . . . 138 L C . 27648 1 263 . 1 1 55 55 LEU CA C 13 55.146 . . 1 . . . . . 138 L CA . 27648 1 264 . 1 1 55 55 LEU CB C 13 42.200 . . 1 . . . . . 138 L CB . 27648 1 265 . 1 1 55 55 LEU N N 15 125.843 . . 1 . . . . . 138 L N . 27648 1 266 . 1 1 56 56 ASN H H 1 8.283 . . 1 . . . . . 139 N H . 27648 1 267 . 1 1 56 56 ASN C C 13 174.615 . . 1 . . . . . 139 N C . 27648 1 268 . 1 1 56 56 ASN CA C 13 53.255 . . 1 . . . . . 139 N CA . 27648 1 269 . 1 1 56 56 ASN CB C 13 38.820 . . 1 . . . . . 139 N CB . 27648 1 270 . 1 1 56 56 ASN N N 15 119.122 . . 1 . . . . . 139 N N . 27648 1 271 . 1 1 57 57 ASP H H 1 8.208 . . 1 . . . . . 140 D H . 27648 1 272 . 1 1 57 57 ASP C C 13 176.187 . . 1 . . . . . 140 D C . 27648 1 273 . 1 1 57 57 ASP CA C 13 54.243 . . 1 . . . . . 140 D CA . 27648 1 274 . 1 1 57 57 ASP CB C 13 40.951 . . 1 . . . . . 140 D CB . 27648 1 275 . 1 1 57 57 ASP N N 15 120.317 . . 1 . . . . . 140 D N . 27648 1 276 . 1 1 58 58 LEU H H 1 8.158 . . 1 . . . . . 141 L H . 27648 1 277 . 1 1 58 58 LEU C C 13 177.612 . . 1 . . . . . 141 L C . 27648 1 278 . 1 1 58 58 LEU CA C 13 55.358 . . 1 . . . . . 141 L CA . 27648 1 279 . 1 1 58 58 LEU CB C 13 42.000 . . 1 . . . . . 141 L CB . 27648 1 280 . 1 1 58 58 LEU N N 15 122.290 . . 1 . . . . . 141 L N . 27648 1 281 . 1 1 59 59 SER H H 1 8.233 . . 1 . . . . . 142 S H . 27648 1 282 . 1 1 59 59 SER C C 13 174.724 . . 1 . . . . . 142 S C . 27648 1 283 . 1 1 59 59 SER CA C 13 58.532 . . 1 . . . . . 142 S CA . 27648 1 284 . 1 1 59 59 SER CB C 13 63.790 . . 1 . . . . . 142 S CB . 27648 1 285 . 1 1 59 59 SER N N 15 116.153 . . 1 . . . . . 142 S N . 27648 1 286 . 1 1 60 60 SER H H 1 8.200 . . 1 . . . . . 143 S H . 27648 1 287 . 1 1 60 60 SER C C 13 174.036 . . 1 . . . . . 143 S C . 27648 1 288 . 1 1 60 60 SER CA C 13 58.438 . . 1 . . . . . 143 S CA . 27648 1 289 . 1 1 60 60 SER CB C 13 63.735 . . 1 . . . . . 143 S CB . 27648 1 290 . 1 1 60 60 SER N N 15 117.390 . . 1 . . . . . 143 S N . 27648 1 291 . 1 1 61 61 ASP H H 1 8.196 . . 1 . . . . . 144 D H . 27648 1 292 . 1 1 61 61 ASP C C 13 175.360 . . 1 . . . . . 144 D C . 27648 1 293 . 1 1 61 61 ASP CA C 13 54.102 . . 1 . . . . . 144 D CA . 27648 1 294 . 1 1 61 61 ASP CB C 13 41.059 . . 1 . . . . . 144 D CB . 27648 1 295 . 1 1 61 61 ASP N N 15 121.873 . . 1 . . . . . 144 D N . 27648 1 296 . 1 1 62 62 ALA H H 1 8.009 . . 1 . . . . . 145 A H . 27648 1 297 . 1 1 62 62 ALA C C 13 175.211 . . 1 . . . . . 145 A C . 27648 1 298 . 1 1 62 62 ALA CA C 13 50.456 . . 1 . . . . . 145 A CA . 27648 1 299 . 1 1 62 62 ALA CB C 13 18.242 . . 1 . . . . . 145 A CB . 27648 1 300 . 1 1 62 62 ALA N N 15 124.946 . . 1 . . . . . 145 A N . 27648 1 301 . 1 1 63 63 PRO C C 13 177.576 . . 1 . . . . . 146 P C . 27648 1 302 . 1 1 63 63 PRO CA C 13 63.269 . . 1 . . . . . 146 P CA . 27648 1 303 . 1 1 63 63 PRO CB C 13 31.871 . . 1 . . . . . 146 P CB . 27648 1 304 . 1 1 64 64 GLY H H 1 8.376 . . 1 . . . . . 147 G H . 27648 1 305 . 1 1 64 64 GLY C C 13 173.731 . . 1 . . . . . 147 G C . 27648 1 306 . 1 1 64 64 GLY CA C 13 45.073 . . 1 . . . . . 147 G CA . 27648 1 307 . 1 1 64 64 GLY N N 15 109.074 . . 1 . . . . . 147 G N . 27648 1 308 . 1 1 65 65 VAL H H 1 7.799 . . 1 . . . . . 148 V H . 27648 1 309 . 1 1 65 65 VAL C C 13 174.354 . . 1 . . . . . 148 V C . 27648 1 310 . 1 1 65 65 VAL CA C 13 59.732 . . 1 . . . . . 148 V CA . 27648 1 311 . 1 1 65 65 VAL CB C 13 32.497 . . 1 . . . . . 148 V CB . 27648 1 312 . 1 1 65 65 VAL N N 15 120.761 . . 1 . . . . . 148 V N . 27648 1 313 . 1 1 66 66 PRO C C 13 176.475 . . 1 . . . . . 149 P C . 27648 1 314 . 1 1 66 66 PRO CA C 13 63.046 . . 1 . . . . . 149 P CA . 27648 1 315 . 1 1 66 66 PRO CB C 13 31.966 . . 1 . . . . . 149 P CB . 27648 1 316 . 1 1 67 67 ARG H H 1 8.358 . . 1 . . . . . 150 R H . 27648 1 317 . 1 1 67 67 ARG C C 13 176.155 . . 1 . . . . . 150 R C . 27648 1 318 . 1 1 67 67 ARG CA C 13 55.655 . . 1 . . . . . 150 R CA . 27648 1 319 . 1 1 67 67 ARG CB C 13 30.843 . . 1 . . . . . 150 R CB . 27648 1 320 . 1 1 67 67 ARG N N 15 122.093 . . 1 . . . . . 150 R N . 27648 1 321 . 1 1 68 68 ILE H H 1 8.222 . . 1 . . . . . 151 I H . 27648 1 322 . 1 1 68 68 ILE C C 13 176.093 . . 1 . . . . . 151 I C . 27648 1 323 . 1 1 68 68 ILE CA C 13 61.026 . . 1 . . . . . 151 I CA . 27648 1 324 . 1 1 68 68 ILE CB C 13 38.519 . . 1 . . . . . 151 I CB . 27648 1 325 . 1 1 68 68 ILE N N 15 123.061 . . 1 . . . . . 151 I N . 27648 1 326 . 1 1 69 69 GLU H H 1 8.490 . . 1 . . . . . 152 E H . 27648 1 327 . 1 1 69 69 GLU C C 13 176.113 . . 1 . . . . . 152 E C . 27648 1 328 . 1 1 69 69 GLU CA C 13 56.394 . . 1 . . . . . 152 E CA . 27648 1 329 . 1 1 69 69 GLU CB C 13 30.117 . . 1 . . . . . 152 E CB . 27648 1 330 . 1 1 69 69 GLU N N 15 124.945 . . 1 . . . . . 152 E N . 27648 1 331 . 1 1 70 70 GLU H H 1 8.341 . . 1 . . . . . 153 E H . 27648 1 332 . 1 1 70 70 GLU C C 13 176.165 . . 1 . . . . . 153 E C . 27648 1 333 . 1 1 70 70 GLU CA C 13 56.434 . . 1 . . . . . 153 E CA . 27648 1 334 . 1 1 70 70 GLU CB C 13 30.297 . . 1 . . . . . 153 E CB . 27648 1 335 . 1 1 70 70 GLU N N 15 122.085 . . 1 . . . . . 153 E N . 27648 1 336 . 1 1 71 71 GLU H H 1 8.384 . . 1 . . . . . 154 E H . 27648 1 337 . 1 1 71 71 GLU C C 13 176.114 . . 1 . . . . . 154 E C . 27648 1 338 . 1 1 71 71 GLU CA C 13 56.496 . . 1 . . . . . 154 E CA . 27648 1 339 . 1 1 71 71 GLU CB C 13 30.178 . . 1 . . . . . 154 E CB . 27648 1 340 . 1 1 71 71 GLU N N 15 122.396 . . 1 . . . . . 154 E N . 27648 1 341 . 1 1 72 72 LYS H H 1 8.327 . . 1 . . . . . 155 K H . 27648 1 342 . 1 1 72 72 LYS C C 13 176.347 . . 1 . . . . . 155 K C . 27648 1 343 . 1 1 72 72 LYS CA C 13 55.934 . . 1 . . . . . 155 K CA . 27648 1 344 . 1 1 72 72 LYS CB C 13 33.150 . . 1 . . . . . 155 K CB . 27648 1 345 . 1 1 72 72 LYS N N 15 123.162 . . 1 . . . . . 155 K N . 27648 1 346 . 1 1 73 73 SER H H 1 8.420 . . 1 . . . . . 156 S H . 27648 1 347 . 1 1 73 73 SER C C 13 174.630 . . 1 . . . . . 156 S C . 27648 1 348 . 1 1 73 73 SER CA C 13 58.209 . . 1 . . . . . 156 S CA . 27648 1 349 . 1 1 73 73 SER CB C 13 63.850 . . 1 . . . . . 156 S CB . 27648 1 350 . 1 1 73 73 SER N N 15 118.069 . . 1 . . . . . 156 S N . 27648 1 351 . 1 1 74 74 GLU H H 1 8.502 . . 1 . . . . . 157 E H . 27648 1 352 . 1 1 74 74 GLU C C 13 176.303 . . 1 . . . . . 157 E C . 27648 1 353 . 1 1 74 74 GLU CA C 13 56.586 . . 1 . . . . . 157 E CA . 27648 1 354 . 1 1 74 74 GLU CB C 13 30.087 . . 1 . . . . . 157 E CB . 27648 1 355 . 1 1 74 74 GLU N N 15 122.870 . . 1 . . . . . 157 E N . 27648 1 356 . 1 1 75 75 GLU H H 1 8.322 . . 1 . . . . . 158 E H . 27648 1 357 . 1 1 75 75 GLU C C 13 176.204 . . 1 . . . . . 158 E C . 27648 1 358 . 1 1 75 75 GLU CA C 13 56.461 . . 1 . . . . . 158 E CA . 27648 1 359 . 1 1 75 75 GLU CB C 13 30.195 . . 1 . . . . . 158 E CB . 27648 1 360 . 1 1 75 75 GLU N N 15 121.112 . . 1 . . . . . 158 E N . 27648 1 361 . 1 1 76 76 GLU H H 1 8.325 . . 1 . . . . . 159 E H . 27648 1 362 . 1 1 76 76 GLU C C 13 175.715 . . 1 . . . . . 159 E C . 27648 1 363 . 1 1 76 76 GLU CA C 13 56.518 . . 1 . . . . . 159 E CA . 27648 1 364 . 1 1 76 76 GLU CB C 13 30.226 . . 1 . . . . . 159 E CB . 27648 1 365 . 1 1 76 76 GLU N N 15 122.410 . . 1 . . . . . 159 E N . 27648 1 366 . 1 1 77 77 THR H H 1 7.782 . . 1 . . . . . 160 T H . 27648 1 367 . 1 1 77 77 THR C C 13 179.117 . . 1 . . . . . 160 T C . 27648 1 368 . 1 1 77 77 THR CA C 13 63.182 . . 1 . . . . . 160 T CA . 27648 1 369 . 1 1 77 77 THR CB C 13 70.602 . . 1 . . . . . 160 T CB . 27648 1 370 . 1 1 77 77 THR N N 15 120.567 . . 1 . . . . . 160 T N . 27648 1 stop_ save_