data_27341 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27341 _Entry.Title ; Backbone assignment of HSV-1 ICP27 103-155 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-12-15 _Entry.Accession_date 2017-12-15 _Entry.Last_release_date 2017-12-15 _Entry.Original_release_date 2017-12-15 _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 free peptide' _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 Richard Tunnicliffe . B. . . 27341 2 Colin Levy . . . . 27341 3 Paul Mould . . . . 27341 4 Edward McKenzie . A. . . 27341 5 Rozanne Sandri-Goldin . M. . . 27341 6 Alexander Golovanov . P. . . 27341 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Golovanov group' . 27341 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27341 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 147 27341 '15N chemical shifts' 49 27341 '1H chemical shifts' 49 27341 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 . . 2018-10-10 2017-12-15 update BMRB 'update entry citation' 27341 1 . . 2018-09-24 2017-12-15 original author 'original release' 27341 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16696 'Assignment of shorter peptide construct from the same protein' 27341 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27341 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/s41598-018-33379-x _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Overlapping motifs on the herpes viral proteins ICP27 and ORF57 mediate interactions with the mRNA export adaptors ALYREF and UIF ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 8 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 15005 _Citation.Page_last 15005 _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 Richard Tunnicliffe . B. . . 27341 1 2 Colin Levy . . . . 27341 1 3 Paul Mould . . . . 27341 1 4 Edward McKenzie . A. . . 27341 1 5 Rozanne Sandri-Goldin . M. . . 27341 1 6 Alexander Golovanov . P. . . 27341 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27341 _Assembly.ID 1 _Assembly.Name 'ICP27 103-155' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 5977.83 _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 'ICP27 103-155' 1 $ICP27_103-155 A . yes native no no . . . 27341 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ICP27_103-155 _Entity.Sf_category entity _Entity.Sf_framecode ICP27_103-155 _Entity.Entry_ID 27341 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ICP27_103-155 _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 ; GPLGSVWSRLGARRPSCSPE RHGGKVARLQPPPTKAQPAR GGRRGRRRGRGRGGPGA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'N-terminal residue is Gly99' _Entity.Polymer_author_seq_details 'First 4 residues GPLG are non-native, remaining after HRV3C protease cleavage.' _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 57 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5977.83 _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 UNP Q9J0X9 . ICP27 . . . . . . . . . . . . . . 27341 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Contains NLS.' 27341 1 'Interacts with RNA, Aly/REF and SRPK1.' 27341 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 99 GLY . 27341 1 2 100 PRO . 27341 1 3 101 LEU . 27341 1 4 102 GLY . 27341 1 5 103 SER . 27341 1 6 104 VAL . 27341 1 7 105 TRP . 27341 1 8 106 SER . 27341 1 9 107 ARG . 27341 1 10 108 LEU . 27341 1 11 109 GLY . 27341 1 12 110 ALA . 27341 1 13 111 ARG . 27341 1 14 112 ARG . 27341 1 15 113 PRO . 27341 1 16 114 SER . 27341 1 17 115 CYS . 27341 1 18 116 SER . 27341 1 19 117 PRO . 27341 1 20 118 GLU . 27341 1 21 119 ARG . 27341 1 22 120 HIS . 27341 1 23 121 GLY . 27341 1 24 122 GLY . 27341 1 25 123 LYS . 27341 1 26 124 VAL . 27341 1 27 125 ALA . 27341 1 28 126 ARG . 27341 1 29 127 LEU . 27341 1 30 128 GLN . 27341 1 31 129 PRO . 27341 1 32 130 PRO . 27341 1 33 131 PRO . 27341 1 34 132 THR . 27341 1 35 133 LYS . 27341 1 36 134 ALA . 27341 1 37 135 GLN . 27341 1 38 136 PRO . 27341 1 39 137 ALA . 27341 1 40 138 ARG . 27341 1 41 139 GLY . 27341 1 42 140 GLY . 27341 1 43 141 ARG . 27341 1 44 142 ARG . 27341 1 45 143 GLY . 27341 1 46 144 ARG . 27341 1 47 145 ARG . 27341 1 48 146 ARG . 27341 1 49 147 GLY . 27341 1 50 148 ARG . 27341 1 51 149 GLY . 27341 1 52 150 ARG . 27341 1 53 151 GLY . 27341 1 54 152 GLY . 27341 1 55 153 PRO . 27341 1 56 154 GLY . 27341 1 57 155 ALA . 27341 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 27341 1 . PRO 2 2 27341 1 . LEU 3 3 27341 1 . GLY 4 4 27341 1 . SER 5 5 27341 1 . VAL 6 6 27341 1 . TRP 7 7 27341 1 . SER 8 8 27341 1 . ARG 9 9 27341 1 . LEU 10 10 27341 1 . GLY 11 11 27341 1 . ALA 12 12 27341 1 . ARG 13 13 27341 1 . ARG 14 14 27341 1 . PRO 15 15 27341 1 . SER 16 16 27341 1 . CYS 17 17 27341 1 . SER 18 18 27341 1 . PRO 19 19 27341 1 . GLU 20 20 27341 1 . ARG 21 21 27341 1 . HIS 22 22 27341 1 . GLY 23 23 27341 1 . GLY 24 24 27341 1 . LYS 25 25 27341 1 . VAL 26 26 27341 1 . ALA 27 27 27341 1 . ARG 28 28 27341 1 . LEU 29 29 27341 1 . GLN 30 30 27341 1 . PRO 31 31 27341 1 . PRO 32 32 27341 1 . PRO 33 33 27341 1 . THR 34 34 27341 1 . LYS 35 35 27341 1 . ALA 36 36 27341 1 . GLN 37 37 27341 1 . PRO 38 38 27341 1 . ALA 39 39 27341 1 . ARG 40 40 27341 1 . GLY 41 41 27341 1 . GLY 42 42 27341 1 . ARG 43 43 27341 1 . ARG 44 44 27341 1 . GLY 45 45 27341 1 . ARG 46 46 27341 1 . ARG 47 47 27341 1 . ARG 48 48 27341 1 . GLY 49 49 27341 1 . ARG 50 50 27341 1 . GLY 51 51 27341 1 . ARG 52 52 27341 1 . GLY 53 53 27341 1 . GLY 54 54 27341 1 . PRO 55 55 27341 1 . GLY 56 56 27341 1 . ALA 57 57 27341 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 27341 _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 $ICP27_103-155 . 10298 virus . 'Herpes simplex virus 1' 'Human alphaherpesvirus 1' . . Viruses . Simplexvirus 'Human alphaherpesvirus 1' KOS1.1A . . . . . . . . . . . . 27341 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 27341 _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 $ICP27_103-155 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21-CodonPlus (DE3)-RP' . . . . . pGEX-6P-1 . . . 27341 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27341 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'ICP27 103-155 (uniform 13C,15N)' _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 'ICP27 103-155' '[U-99% 13C; U-99% 15N]' . . 1 $ICP27_103-155 . . 0.45 . . mM . . . . 27341 1 2 'phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 27341 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 27341 1 4 L-Arg 'natural abundance' . . . . . . 50 . . mM . . . . 27341 1 5 L-Glu 'natural abundance' . . . . . . 50 . . mM . . . . 27341 1 6 2-mercaptoethanol 'natural abundance' . . . . . . 50 . . mM . . . . 27341 1 7 EDTA 'natural abundance' . . . . . . 10 . . mM . . . . 27341 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 27341 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'phosphate buffer 20 mM; NaCl 50 mM; L-Arg 50 mM; L-Glu 50 mM; 2-mercaptoethanol 50 mM; EDTA 10 mM.' 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' 0.15 . M 27341 1 pH 6.2 . pH 27341 1 pressure 1 . atm 27341 1 temperature 298 . K 27341 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27341 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27341 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27341 1 processing 27341 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27341 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version 3.115 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27341 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27341 2 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 27341 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 27341 _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 Avance . 800 . . . 27341 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 27341 _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 . . . . . . . . . . . . . . . . 27341 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27341 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27341 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27341 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27341 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27341 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 27341 _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 na indirect 0.251449530 . . . . . 27341 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27341 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27341 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 27341 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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' . . . 27341 1 2 '3D HNCO' . . . 27341 1 3 '3D HNCA' . . . 27341 1 4 '3D HNCACB' . . . 27341 1 5 '3D CBCA(CO)NH' . . . 27341 1 6 '3D HN(CA)CO' . . . 27341 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 2 $SPARKY . . 27341 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 PRO C C 13 176.920 0.100 . 1 . . . . . 100 PRO C . 27341 1 2 . 1 1 2 2 PRO CA C 13 62.990 0.100 . 1 . . . . . 100 PRO CA . 27341 1 3 . 1 1 2 2 PRO CB C 13 32.180 0.100 . 1 . . . . . 100 PRO CB . 27341 1 4 . 1 1 3 3 LEU H H 1 8.433 0.020 . 1 . . . . . 101 LEU H . 27341 1 5 . 1 1 3 3 LEU C C 13 177.880 0.100 . 1 . . . . . 101 LEU C . 27341 1 6 . 1 1 3 3 LEU CA C 13 55.330 0.100 . 1 . . . . . 101 LEU CA . 27341 1 7 . 1 1 3 3 LEU CB C 13 42.120 0.100 . 1 . . . . . 101 LEU CB . 27341 1 8 . 1 1 3 3 LEU N N 15 122.382 0.100 . 1 . . . . . 101 LEU N . 27341 1 9 . 1 1 4 4 GLY H H 1 8.296 0.020 . 1 . . . . . 102 GLY H . 27341 1 10 . 1 1 4 4 GLY C C 13 174.030 0.100 . 1 . . . . . 102 GLY C . 27341 1 11 . 1 1 4 4 GLY CA C 13 45.070 0.100 . 1 . . . . . 102 GLY CA . 27341 1 12 . 1 1 4 4 GLY N N 15 109.495 0.100 . 1 . . . . . 102 GLY N . 27341 1 13 . 1 1 5 5 SER H H 1 8.137 0.020 . 1 . . . . . 103 SER H . 27341 1 14 . 1 1 5 5 SER C C 13 174.910 0.100 . 1 . . . . . 103 SER C . 27341 1 15 . 1 1 5 5 SER CA C 13 58.090 0.100 . 1 . . . . . 103 SER CA . 27341 1 16 . 1 1 5 5 SER CB C 13 63.890 0.100 . 1 . . . . . 103 SER CB . 27341 1 17 . 1 1 5 5 SER N N 15 115.643 0.100 . 1 . . . . . 103 SER N . 27341 1 18 . 1 1 6 6 VAL H H 1 8.087 0.020 . 1 . . . . . 104 VAL H . 27341 1 19 . 1 1 6 6 VAL C C 13 176.110 0.100 . 1 . . . . . 104 VAL C . 27341 1 20 . 1 1 6 6 VAL CA C 13 62.950 0.100 . 1 . . . . . 104 VAL CA . 27341 1 21 . 1 1 6 6 VAL CB C 13 32.180 0.100 . 1 . . . . . 104 VAL CB . 27341 1 22 . 1 1 6 6 VAL N N 15 121.372 0.100 . 1 . . . . . 104 VAL N . 27341 1 23 . 1 1 7 7 TRP H H 1 7.963 0.020 . 1 . . . . . 105 TRP H . 27341 1 24 . 1 1 7 7 TRP HE1 H 1 10.052 0.020 . 1 . . . . . 105 TRP HE1 . 27341 1 25 . 1 1 7 7 TRP C C 13 176.410 0.100 . 1 . . . . . 105 TRP C . 27341 1 26 . 1 1 7 7 TRP CA C 13 57.460 0.100 . 1 . . . . . 105 TRP CA . 27341 1 27 . 1 1 7 7 TRP CB C 13 29.380 0.100 . 1 . . . . . 105 TRP CB . 27341 1 28 . 1 1 7 7 TRP N N 15 123.072 0.100 . 1 . . . . . 105 TRP N . 27341 1 29 . 1 1 7 7 TRP NE1 N 15 129.395 0.100 . 1 . . . . . 105 TRP NE1 . 27341 1 30 . 1 1 8 8 SER H H 1 7.847 0.020 . 1 . . . . . 106 SER H . 27341 1 31 . 1 1 8 8 SER C C 13 174.460 0.100 . 1 . . . . . 106 SER C . 27341 1 32 . 1 1 8 8 SER CA C 13 58.390 0.100 . 1 . . . . . 106 SER CA . 27341 1 33 . 1 1 8 8 SER CB C 13 63.720 0.100 . 1 . . . . . 106 SER CB . 27341 1 34 . 1 1 8 8 SER N N 15 116.866 0.100 . 1 . . . . . 106 SER N . 27341 1 35 . 1 1 9 9 ARG H H 1 7.995 0.020 . 1 . . . . . 107 ARG H . 27341 1 36 . 1 1 9 9 ARG C C 13 176.430 0.100 . 1 . . . . . 107 ARG C . 27341 1 37 . 1 1 9 9 ARG CA C 13 56.560 0.100 . 1 . . . . . 107 ARG CA . 27341 1 38 . 1 1 9 9 ARG CB C 13 30.330 0.100 . 1 . . . . . 107 ARG CB . 27341 1 39 . 1 1 9 9 ARG N N 15 122.448 0.100 . 1 . . . . . 107 ARG N . 27341 1 40 . 1 1 10 10 LEU H H 1 8.009 0.020 . 1 . . . . . 10 LEU H . 27341 1 41 . 1 1 10 10 LEU C C 13 177.920 0.100 . 1 . . . . . 10 LEU C . 27341 1 42 . 1 1 10 10 LEU CA C 13 55.440 0.100 . 1 . . . . . 10 LEU CA . 27341 1 43 . 1 1 10 10 LEU CB C 13 42.040 0.100 . 1 . . . . . 10 LEU CB . 27341 1 44 . 1 1 10 10 LEU N N 15 121.651 0.100 . 1 . . . . . 10 LEU N . 27341 1 45 . 1 1 11 11 GLY H H 1 8.165 0.020 . 1 . . . . . 109 GLY H . 27341 1 46 . 1 1 11 11 GLY C C 13 173.720 0.100 . 1 . . . . . 109 GLY C . 27341 1 47 . 1 1 11 11 GLY CA C 13 45.190 0.100 . 1 . . . . . 109 GLY CA . 27341 1 48 . 1 1 11 11 GLY N N 15 109.265 0.100 . 1 . . . . . 109 GLY N . 27341 1 49 . 1 1 12 12 ALA H H 1 7.948 0.020 . 1 . . . . . 110 ALA H . 27341 1 50 . 1 1 12 12 ALA C C 13 177.490 0.100 . 1 . . . . . 110 ALA C . 27341 1 51 . 1 1 12 12 ALA CA C 13 52.250 0.100 . 1 . . . . . 110 ALA CA . 27341 1 52 . 1 1 12 12 ALA CB C 13 19.240 0.100 . 1 . . . . . 110 ALA CB . 27341 1 53 . 1 1 12 12 ALA N N 15 123.422 0.100 . 1 . . . . . 110 ALA N . 27341 1 54 . 1 1 13 13 ARG H H 1 8.175 0.020 . 1 . . . . . 111 ARG H . 27341 1 55 . 1 1 13 13 ARG C C 13 175.950 0.100 . 1 . . . . . 111 ARG C . 27341 1 56 . 1 1 13 13 ARG CA C 13 55.790 0.100 . 1 . . . . . 111 ARG CA . 27341 1 57 . 1 1 13 13 ARG CB C 13 30.620 0.100 . 1 . . . . . 111 ARG CB . 27341 1 58 . 1 1 13 13 ARG N N 15 120.139 0.100 . 1 . . . . . 111 ARG N . 27341 1 59 . 1 1 14 14 ARG H H 1 8.262 0.020 . 1 . . . . . 112 ARG H . 27341 1 60 . 1 1 14 14 ARG C C 13 174.180 0.100 . 1 . . . . . 112 ARG C . 27341 1 61 . 1 1 14 14 ARG CA C 13 53.830 0.100 . 1 . . . . . 112 ARG CA . 27341 1 62 . 1 1 14 14 ARG CB C 13 29.960 0.100 . 1 . . . . . 112 ARG CB . 27341 1 63 . 1 1 14 14 ARG N N 15 123.638 0.100 . 1 . . . . . 112 ARG N . 27341 1 64 . 1 1 15 15 PRO C C 13 176.880 0.100 . 1 . . . . . 113 PRO C . 27341 1 65 . 1 1 15 15 PRO CA C 13 63.070 0.100 . 1 . . . . . 113 PRO CA . 27341 1 66 . 1 1 15 15 PRO CB C 13 32.130 0.100 . 1 . . . . . 113 PRO CB . 27341 1 67 . 1 1 16 16 SER H H 1 8.262 0.020 . 1 . . . . . 114 SER H . 27341 1 68 . 1 1 16 16 SER C C 13 177.320 0.100 . 1 . . . . . 114 SER C . 27341 1 69 . 1 1 16 16 SER CA C 13 58.270 0.100 . 1 . . . . . 114 SER CA . 27341 1 70 . 1 1 16 16 SER N N 15 116.066 0.100 . 1 . . . . . 114 SER N . 27341 1 71 . 1 1 17 17 CYS H H 1 8.290 0.020 . 1 . . . . . 115 CYS H . 27341 1 72 . 1 1 17 17 CYS C C 13 174.010 0.100 . 1 . . . . . 115 CYS C . 27341 1 73 . 1 1 17 17 CYS CA C 13 57.790 0.100 . 1 . . . . . 115 CYS CA . 27341 1 74 . 1 1 17 17 CYS CB C 13 28.150 0.100 . 1 . . . . . 115 CYS CB . 27341 1 75 . 1 1 17 17 CYS N N 15 120.608 0.100 . 1 . . . . . 115 CYS N . 27341 1 76 . 1 1 18 18 SER H H 1 8.331 0.020 . 1 . . . . . 116 SER H . 27341 1 77 . 1 1 18 18 SER CA C 13 56.360 0.100 . 1 . . . . . 116 SER CA . 27341 1 78 . 1 1 18 18 SER N N 15 119.344 0.100 . 1 . . . . . 116 SER N . 27341 1 79 . 1 1 19 19 PRO C C 13 176.860 0.100 . 1 . . . . . 117 PRO C . 27341 1 80 . 1 1 19 19 PRO CA C 13 63.400 0.100 . 1 . . . . . 117 PRO CA . 27341 1 81 . 1 1 19 19 PRO CB C 13 31.910 0.100 . 1 . . . . . 117 PRO CB . 27341 1 82 . 1 1 20 20 GLU H H 1 8.403 0.020 . 1 . . . . . 20 GLU H . 27341 1 83 . 1 1 20 20 GLU C C 13 176.440 0.100 . 1 . . . . . 20 GLU C . 27341 1 84 . 1 1 20 20 GLU CA C 13 56.610 0.100 . 1 . . . . . 20 GLU CA . 27341 1 85 . 1 1 20 20 GLU CB C 13 29.950 0.100 . 1 . . . . . 20 GLU CB . 27341 1 86 . 1 1 20 20 GLU N N 15 120.759 0.100 . 1 . . . . . 20 GLU N . 27341 1 87 . 1 1 21 21 ARG H H 1 8.199 0.020 . 1 . . . . . 119 ARG H . 27341 1 88 . 1 1 21 21 ARG C C 13 176.010 0.100 . 1 . . . . . 119 ARG C . 27341 1 89 . 1 1 21 21 ARG CA C 13 55.880 0.100 . 1 . . . . . 119 ARG CA . 27341 1 90 . 1 1 21 21 ARG CB C 13 30.510 0.100 . 1 . . . . . 119 ARG CB . 27341 1 91 . 1 1 21 21 ARG N N 15 121.963 0.100 . 1 . . . . . 119 ARG N . 27341 1 92 . 1 1 22 22 HIS H H 1 8.389 0.020 . 1 . . . . . 120 HIS H . 27341 1 93 . 1 1 22 22 HIS C C 13 176.800 0.100 . 1 . . . . . 120 HIS C . 27341 1 94 . 1 1 22 22 HIS CA C 13 56.210 0.100 . 1 . . . . . 120 HIS CA . 27341 1 95 . 1 1 22 22 HIS CB C 13 30.660 0.100 . 1 . . . . . 120 HIS CB . 27341 1 96 . 1 1 22 22 HIS N N 15 120.257 0.100 . 1 . . . . . 120 HIS N . 27341 1 97 . 1 1 23 23 GLY H H 1 8.409 0.020 . 1 . . . . . 121 GLY H . 27341 1 98 . 1 1 23 23 GLY C C 13 174.580 0.100 . 1 . . . . . 121 GLY C . 27341 1 99 . 1 1 23 23 GLY CA C 13 45.190 0.100 . 1 . . . . . 121 GLY CA . 27341 1 100 . 1 1 23 23 GLY N N 15 110.267 0.100 . 1 . . . . . 121 GLY N . 27341 1 101 . 1 1 24 24 GLY H H 1 8.270 0.020 . 1 . . . . . 122 GLY H . 27341 1 102 . 1 1 24 24 GLY C C 13 173.990 0.100 . 1 . . . . . 122 GLY C . 27341 1 103 . 1 1 24 24 GLY CA C 13 45.080 0.100 . 1 . . . . . 122 GLY CA . 27341 1 104 . 1 1 24 24 GLY N N 15 108.732 0.100 . 1 . . . . . 122 GLY N . 27341 1 105 . 1 1 25 25 LYS H H 1 8.139 0.020 . 1 . . . . . 123 LYS H . 27341 1 106 . 1 1 25 25 LYS C C 13 176.610 0.100 . 1 . . . . . 123 LYS C . 27341 1 107 . 1 1 25 25 LYS CA C 13 56.280 0.100 . 1 . . . . . 123 LYS CA . 27341 1 108 . 1 1 25 25 LYS CB C 13 32.960 0.100 . 1 . . . . . 123 LYS CB . 27341 1 109 . 1 1 25 25 LYS N N 15 120.909 0.100 . 1 . . . . . 123 LYS N . 27341 1 110 . 1 1 26 26 VAL H H 1 8.058 0.020 . 1 . . . . . 124 VAL H . 27341 1 111 . 1 1 26 26 VAL C C 13 175.750 0.100 . 1 . . . . . 124 VAL C . 27341 1 112 . 1 1 26 26 VAL CA C 13 62.110 0.100 . 1 . . . . . 124 VAL CA . 27341 1 113 . 1 1 26 26 VAL CB C 13 32.610 0.100 . 1 . . . . . 124 VAL CB . 27341 1 114 . 1 1 26 26 VAL N N 15 121.444 0.100 . 1 . . . . . 124 VAL N . 27341 1 115 . 1 1 27 27 ALA H H 1 8.287 0.020 . 1 . . . . . 125 ALA H . 27341 1 116 . 1 1 27 27 ALA C C 13 177.310 0.100 . 1 . . . . . 125 ALA C . 27341 1 117 . 1 1 27 27 ALA CA C 13 52.320 0.100 . 1 . . . . . 125 ALA CA . 27341 1 118 . 1 1 27 27 ALA CB C 13 19.080 0.100 . 1 . . . . . 125 ALA CB . 27341 1 119 . 1 1 27 27 ALA N N 15 128.287 0.100 . 1 . . . . . 125 ALA N . 27341 1 120 . 1 1 28 28 ARG H H 1 8.190 0.020 . 1 . . . . . 126 ARG H . 27341 1 121 . 1 1 28 28 ARG C C 13 175.950 0.100 . 1 . . . . . 126 ARG C . 27341 1 122 . 1 1 28 28 ARG CA C 13 55.860 0.100 . 1 . . . . . 126 ARG CA . 27341 1 123 . 1 1 28 28 ARG CB C 13 30.700 0.100 . 1 . . . . . 126 ARG CB . 27341 1 124 . 1 1 28 28 ARG N N 15 120.633 0.100 . 1 . . . . . 126 ARG N . 27341 1 125 . 1 1 29 29 LEU H H 1 8.189 0.020 . 1 . . . . . 127 LEU H . 27341 1 126 . 1 1 29 29 LEU C C 13 176.850 0.100 . 1 . . . . . 127 LEU C . 27341 1 127 . 1 1 29 29 LEU CA C 13 54.850 0.100 . 1 . . . . . 127 LEU CA . 27341 1 128 . 1 1 29 29 LEU CB C 13 42.170 0.100 . 1 . . . . . 127 LEU CB . 27341 1 129 . 1 1 29 29 LEU N N 15 123.746 0.100 . 1 . . . . . 127 LEU N . 27341 1 130 . 1 1 30 30 GLN H H 1 8.269 0.020 . 1 . . . . . 128 GLN H . 27341 1 131 . 1 1 30 30 GLN C C 13 173.290 0.100 . 1 . . . . . 128 GLN C . 27341 1 132 . 1 1 30 30 GLN CA C 13 53.280 0.100 . 1 . . . . . 128 GLN CA . 27341 1 133 . 1 1 30 30 GLN CB C 13 28.840 0.100 . 1 . . . . . 128 GLN CB . 27341 1 134 . 1 1 30 30 GLN N N 15 122.663 0.100 . 1 . . . . . 128 GLN N . 27341 1 135 . 1 1 33 33 PRO C C 13 177.040 0.100 . 1 . . . . . 131 PRO C . 27341 1 136 . 1 1 33 33 PRO CA C 13 62.830 0.100 . 1 . . . . . 131 PRO CA . 27341 1 137 . 1 1 33 33 PRO CB C 13 31.910 0.100 . 1 . . . . . 131 PRO CB . 27341 1 138 . 1 1 34 34 THR H H 1 8.120 0.020 . 1 . . . . . 132 THR H . 27341 1 139 . 1 1 34 34 THR C C 13 174.410 0.100 . 1 . . . . . 132 THR C . 27341 1 140 . 1 1 34 34 THR CA C 13 61.790 0.100 . 1 . . . . . 132 THR CA . 27341 1 141 . 1 1 34 34 THR CB C 13 69.800 0.100 . 1 . . . . . 132 THR CB . 27341 1 142 . 1 1 34 34 THR N N 15 114.760 0.100 . 1 . . . . . 132 THR N . 27341 1 143 . 1 1 35 35 LYS H H 1 8.230 0.020 . 1 . . . . . 133 LYS H . 27341 1 144 . 1 1 35 35 LYS C C 13 175.940 0.100 . 1 . . . . . 133 LYS C . 27341 1 145 . 1 1 35 35 LYS CA C 13 56.020 0.100 . 1 . . . . . 133 LYS CA . 27341 1 146 . 1 1 35 35 LYS CB C 13 32.980 0.100 . 1 . . . . . 133 LYS CB . 27341 1 147 . 1 1 35 35 LYS N N 15 123.861 0.100 . 1 . . . . . 133 LYS N . 27341 1 148 . 1 1 36 36 ALA H H 1 8.234 0.020 . 1 . . . . . 134 ALA H . 27341 1 149 . 1 1 36 36 ALA C C 13 177.310 0.100 . 1 . . . . . 134 ALA C . 27341 1 150 . 1 1 36 36 ALA CA C 13 52.190 0.100 . 1 . . . . . 134 ALA CA . 27341 1 151 . 1 1 36 36 ALA CB C 13 19.160 0.100 . 1 . . . . . 134 ALA CB . 27341 1 152 . 1 1 36 36 ALA N N 15 125.620 0.100 . 1 . . . . . 134 ALA N . 27341 1 153 . 1 1 37 37 GLN H H 1 8.295 0.020 . 1 . . . . . 135 GLN H . 27341 1 154 . 1 1 37 37 GLN C C 13 173.900 0.100 . 1 . . . . . 135 GLN C . 27341 1 155 . 1 1 37 37 GLN CA C 13 53.420 0.100 . 1 . . . . . 135 GLN CA . 27341 1 156 . 1 1 37 37 GLN CB C 13 28.840 0.100 . 1 . . . . . 135 GLN CB . 27341 1 157 . 1 1 37 37 GLN N N 15 120.962 0.100 . 1 . . . . . 135 GLN N . 27341 1 158 . 1 1 38 38 PRO C C 13 176.490 0.100 . 1 . . . . . 136 PRO C . 27341 1 159 . 1 1 38 38 PRO CB C 13 31.990 0.100 . 1 . . . . . 136 PRO CB . 27341 1 160 . 1 1 38 38 PRO CA C 13 62.920 0.100 . 1 . . . . . 136 PRO CG . 27341 1 161 . 1 1 39 39 ALA H H 1 8.376 0.020 . 1 . . . . . 137 ALA H . 27341 1 162 . 1 1 39 39 ALA C C 13 177.820 0.100 . 1 . . . . . 137 ALA C . 27341 1 163 . 1 1 39 39 ALA CA C 13 52.390 0.100 . 1 . . . . . 137 ALA CA . 27341 1 164 . 1 1 39 39 ALA CB C 13 18.970 0.100 . 1 . . . . . 137 ALA CB . 27341 1 165 . 1 1 39 39 ALA N N 15 124.588 0.100 . 1 . . . . . 137 ALA N . 27341 1 166 . 1 1 40 40 ARG H H 1 8.331 0.020 . 1 . . . . . 138 ARG H . 27341 1 167 . 1 1 40 40 ARG C C 13 176.860 0.100 . 1 . . . . . 138 ARG C . 27341 1 168 . 1 1 40 40 ARG CA C 13 56.100 0.100 . 1 . . . . . 138 ARG CA . 27341 1 169 . 1 1 40 40 ARG CB C 13 30.700 0.100 . 1 . . . . . 138 ARG CB . 27341 1 170 . 1 1 40 40 ARG N N 15 120.580 0.100 . 1 . . . . . 138 ARG N . 27341 1 171 . 1 1 41 41 GLY H H 1 8.400 0.020 . 1 . . . . . 139 GLY H . 27341 1 172 . 1 1 41 41 GLY C C 13 174.580 0.100 . 1 . . . . . 139 GLY C . 27341 1 173 . 1 1 41 41 GLY CA C 13 45.170 0.100 . 1 . . . . . 139 GLY CA . 27341 1 174 . 1 1 41 41 GLY N N 15 110.001 0.100 . 1 . . . . . 139 GLY N . 27341 1 175 . 1 1 42 42 GLY H H 1 8.239 0.020 . 1 . . . . . 140 GLY H . 27341 1 176 . 1 1 42 42 GLY C C 13 174.150 0.100 . 1 . . . . . 140 GLY C . 27341 1 177 . 1 1 42 42 GLY CA C 13 45.090 0.100 . 1 . . . . . 140 GLY CA . 27341 1 178 . 1 1 42 42 GLY N N 15 108.670 0.100 . 1 . . . . . 140 GLY N . 27341 1 179 . 1 1 43 43 ARG H H 1 8.275 0.020 . 1 . . . . . 141 ARG H . 27341 1 180 . 1 1 43 43 ARG C C 13 176.550 0.100 . 1 . . . . . 141 ARG C . 27341 1 181 . 1 1 43 43 ARG CA C 13 56.200 0.100 . 1 . . . . . 141 ARG CA . 27341 1 182 . 1 1 43 43 ARG CB C 13 30.600 0.100 . 1 . . . . . 141 ARG CB . 27341 1 183 . 1 1 43 43 ARG N N 15 120.748 0.100 . 1 . . . . . 141 ARG N . 27341 1 184 . 1 1 44 44 ARG H H 1 8.433 0.020 . 1 . . . . . 142 ARG H . 27341 1 185 . 1 1 44 44 ARG C C 13 176.820 0.100 . 1 . . . . . 142 ARG C . 27341 1 186 . 1 1 44 44 ARG CA C 13 56.310 0.100 . 1 . . . . . 142 ARG CA . 27341 1 187 . 1 1 44 44 ARG CB C 13 30.580 0.100 . 1 . . . . . 142 ARG CB . 27341 1 188 . 1 1 44 44 ARG N N 15 122.182 0.100 . 1 . . . . . 142 ARG N . 27341 1 189 . 1 1 45 45 GLY H H 1 8.369 0.020 . 1 . . . . . 143 GLY H . 27341 1 190 . 1 1 45 45 GLY C C 13 173.920 0.100 . 1 . . . . . 143 GLY C . 27341 1 191 . 1 1 45 45 GLY CA C 13 45.130 0.100 . 1 . . . . . 143 GLY CA . 27341 1 192 . 1 1 45 45 GLY N N 15 109.933 0.100 . 1 . . . . . 143 GLY N . 27341 1 193 . 1 1 46 46 ARG H H 1 8.172 0.020 . 1 . . . . . 144 ARG H . 27341 1 194 . 1 1 46 46 ARG C C 13 176.410 0.100 . 1 . . . . . 144 ARG C . 27341 1 195 . 1 1 46 46 ARG CA C 13 55.990 0.100 . 1 . . . . . 144 ARG CA . 27341 1 196 . 1 1 46 46 ARG CB C 13 30.740 0.100 . 1 . . . . . 144 ARG CB . 27341 1 197 . 1 1 46 46 ARG N N 15 120.727 0.100 . 1 . . . . . 144 ARG N . 27341 1 198 . 1 1 47 47 ARG H H 1 8.427 0.020 . 1 . . . . . 145 ARG H . 27341 1 199 . 1 1 47 47 ARG C C 13 176.290 0.100 . 1 . . . . . 145 ARG C . 27341 1 200 . 1 1 47 47 ARG CA C 13 56.190 0.100 . 1 . . . . . 145 ARG CA . 27341 1 201 . 1 1 47 47 ARG CB C 13 30.660 0.100 . 1 . . . . . 145 ARG CB . 27341 1 202 . 1 1 47 47 ARG N N 15 122.619 0.100 . 1 . . . . . 145 ARG N . 27341 1 203 . 1 1 48 48 ARG H H 1 8.415 0.020 . 1 . . . . . 146 ARG H . 27341 1 204 . 1 1 48 48 ARG C C 13 176.720 0.100 . 1 . . . . . 146 ARG C . 27341 1 205 . 1 1 48 48 ARG CA C 13 56.100 0.100 . 1 . . . . . 146 ARG CA . 27341 1 206 . 1 1 48 48 ARG CB C 13 30.650 0.100 . 1 . . . . . 146 ARG CB . 27341 1 207 . 1 1 48 48 ARG N N 15 122.683 0.100 . 1 . . . . . 146 ARG N . 27341 1 208 . 1 1 49 49 GLY H H 1 8.444 0.020 . 1 . . . . . 147 GLY H . 27341 1 209 . 1 1 49 49 GLY C C 13 173.980 0.100 . 1 . . . . . 147 GLY C . 27341 1 210 . 1 1 49 49 GLY CA C 13 45.130 0.100 . 1 . . . . . 147 GLY CA . 27341 1 211 . 1 1 49 49 GLY N N 15 110.266 0.100 . 1 . . . . . 147 GLY N . 27341 1 212 . 1 1 50 50 ARG H H 1 8.297 0.020 . 1 . . . . . 148 ARG H . 27341 1 213 . 1 1 50 50 ARG C C 13 176.970 0.100 . 1 . . . . . 148 ARG C . 27341 1 214 . 1 1 50 50 ARG CA C 13 56.180 0.100 . 1 . . . . . 148 ARG CA . 27341 1 215 . 1 1 50 50 ARG CB C 13 30.710 0.100 . 1 . . . . . 148 ARG CB . 27341 1 216 . 1 1 50 50 ARG N N 15 120.609 0.100 . 1 . . . . . 148 ARG N . 27341 1 217 . 1 1 51 51 GLY H H 1 8.489 0.020 . 1 . . . . . 149 GLY H . 27341 1 218 . 1 1 51 51 GLY C C 13 174.110 0.100 . 1 . . . . . 149 GLY C . 27341 1 219 . 1 1 51 51 GLY CA C 13 45.160 0.100 . 1 . . . . . 149 GLY CA . 27341 1 220 . 1 1 51 51 GLY N N 15 110.172 0.100 . 1 . . . . . 149 GLY N . 27341 1 221 . 1 1 52 52 ARG H H 1 8.260 0.020 . 1 . . . . . 150 ARG H . 27341 1 222 . 1 1 52 52 ARG C C 13 176.850 0.100 . 1 . . . . . 150 ARG C . 27341 1 223 . 1 1 52 52 ARG CA C 13 56.170 0.100 . 1 . . . . . 150 ARG CA . 27341 1 224 . 1 1 52 52 ARG CB C 13 30.680 0.100 . 1 . . . . . 150 ARG CB . 27341 1 225 . 1 1 52 52 ARG N N 15 120.558 0.100 . 1 . . . . . 150 ARG N . 27341 1 226 . 1 1 53 53 GLY H H 1 8.418 0.020 . 1 . . . . . 151 GLY H . 27341 1 227 . 1 1 53 53 GLY C C 13 174.100 0.100 . 1 . . . . . 151 GLY C . 27341 1 228 . 1 1 53 53 GLY CA C 13 45.010 0.100 . 1 . . . . . 151 GLY CA . 27341 1 229 . 1 1 53 53 GLY N N 15 109.787 0.100 . 1 . . . . . 151 GLY N . 27341 1 230 . 1 1 54 54 GLY H H 1 8.063 0.020 . 1 . . . . . 152 GLY H . 27341 1 231 . 1 1 54 54 GLY C C 13 171.830 0.100 . 1 . . . . . 152 GLY C . 27341 1 232 . 1 1 54 54 GLY CA C 13 44.350 0.100 . 1 . . . . . 152 GLY CA . 27341 1 233 . 1 1 54 54 GLY N N 15 108.847 0.100 . 1 . . . . . 152 GLY N . 27341 1 234 . 1 1 55 55 PRO C C 13 177.670 0.100 . 1 . . . . . 153 PRO C . 27341 1 235 . 1 1 55 55 PRO CA C 13 63.470 0.100 . 1 . . . . . 153 PRO CA . 27341 1 236 . 1 1 55 55 PRO CB C 13 31.910 0.100 . 1 . . . . . 153 PRO CB . 27341 1 237 . 1 1 56 56 GLY H H 1 8.458 0.020 . 1 . . . . . 154 GLY H . 27341 1 238 . 1 1 56 56 GLY C C 13 172.840 0.100 . 1 . . . . . 154 GLY C . 27341 1 239 . 1 1 56 56 GLY CA C 13 45.130 0.100 . 1 . . . . . 154 GLY CA . 27341 1 240 . 1 1 56 56 GLY N N 15 110.253 0.100 . 1 . . . . . 154 GLY N . 27341 1 241 . 1 1 57 57 ALA H H 1 7.690 0.020 . 1 . . . . . 155 ALA H . 27341 1 242 . 1 1 57 57 ALA C C 13 182.520 0.100 . 1 . . . . . 155 ALA C . 27341 1 243 . 1 1 57 57 ALA CA C 13 53.630 0.100 . 1 . . . . . 155 ALA CA . 27341 1 244 . 1 1 57 57 ALA CB C 13 19.940 0.100 . 1 . . . . . 155 ALA CB . 27341 1 245 . 1 1 57 57 ALA N N 15 129.083 0.100 . 1 . . . . . 155 ALA N . 27341 1 stop_ save_