data_7386 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7386 _Entry.Title ; Engrailed homeodomain helix-turn-helix motif ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-04-20 _Entry.Accession_date 2007-06-12 _Entry.Last_release_date 2007-10-29 _Entry.Original_release_date 2007-10-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.94 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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.Entry_ID 1 T. Religa T. L. . 7386 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA binding' 'DNA binding' 7386 domain domain 7386 engrailed engrailed 7386 'helix-turn-helix motif' 'helix-turn-helix motif' 7386 homeodomain homeodomain 7386 intermediate intermediate 7386 motif motif 7386 native native 7386 'protein folding' 'protein folding' 7386 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7386 coupling_constants 1 7386 RDCs 1 7386 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 164 7386 '15N chemical shifts' 45 7386 '1H chemical shifts' 337 7386 'coupling constants' 86 7386 'residual dipolar couplings' 43 7386 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2007-10-29 2007-04-20 original author . 7386 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2P81 'BMRB Entry Tracking System' 7386 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 7386 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17517666 _Citation.Full_citation . _Citation.Title 'The helix-turn-helix motif as an ultra-fast independently folding domain: The pathway of folding of Engrailed Homeodomain' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume 104 _Citation.Journal_issue 22 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 9272 _Citation.Page_last 9277 _Citation.Year 2007 _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.Entry_ID _Citation_author.Citation_ID 1 T. Religa T. L. . 7386 1 2 C. Johnson C. M. . 7386 1 3 D. Vu D. M. . 7386 1 4 S. Brewer S. H. . 7386 1 5 R. Dyer R. B. . 7386 1 6 A. Fersht A. R. . 7386 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7386 _Assembly.ID 1 _Assembly.Name homeobox _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 homeobox 1 $Segmentation_polarity_homeobox_protein_engrailed A . yes native no no . . . 7386 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Segmentation_polarity_homeobox_protein_engrailed _Entity.Sf_category entity _Entity.Sf_framecode Segmentation_polarity_homeobox_protein_engrailed _Entity.Entry_ID 7386 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Segmentation_polarity_homeobox_protein_engrailed _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AKREFNENRYLTERRRQQLS SELGLNEAQIKIWFQNKRAK IKKS ; _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 44 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'helix-turn-helix motif' _Entity.Mutation L16A _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_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 3D-structure SWS-KEYWORD 7386 1 'Complete proteome' SWS-KEYWORD 7386 1 'Developmental protein' SWS-KEYWORD 7386 1 DNA-binding SWS-KEYWORD 7386 1 Homeobox SWS-KEYWORD 7386 1 'Nuclear protein' SWS-KEYWORD 7386 1 Phosphorylation SWS-KEYWORD 7386 1 Repressor SWS-KEYWORD 7386 1 'Segmentation polarity homeobox protein engrailed' RCSB_NAME 7386 1 'Segmentation polarity protein' SWS-KEYWORD 7386 1 Transcription SWS-KEYWORD 7386 1 'Transcription regulation' SWS-KEYWORD 7386 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 16 ALA . 7386 1 2 17 LYS . 7386 1 3 18 ARG . 7386 1 4 19 GLU . 7386 1 5 20 PHE . 7386 1 6 21 ASN . 7386 1 7 22 GLU . 7386 1 8 23 ASN . 7386 1 9 24 ARG . 7386 1 10 25 TYR . 7386 1 11 26 LEU . 7386 1 12 27 THR . 7386 1 13 28 GLU . 7386 1 14 29 ARG . 7386 1 15 30 ARG . 7386 1 16 31 ARG . 7386 1 17 32 GLN . 7386 1 18 33 GLN . 7386 1 19 34 LEU . 7386 1 20 35 SER . 7386 1 21 36 SER . 7386 1 22 37 GLU . 7386 1 23 38 LEU . 7386 1 24 39 GLY . 7386 1 25 40 LEU . 7386 1 26 41 ASN . 7386 1 27 42 GLU . 7386 1 28 43 ALA . 7386 1 29 44 GLN . 7386 1 30 45 ILE . 7386 1 31 46 LYS . 7386 1 32 47 ILE . 7386 1 33 48 TRP . 7386 1 34 49 PHE . 7386 1 35 50 GLN . 7386 1 36 51 ASN . 7386 1 37 52 LYS . 7386 1 38 53 ARG . 7386 1 39 54 ALA . 7386 1 40 55 LYS . 7386 1 41 56 ILE . 7386 1 42 57 LYS . 7386 1 43 58 LYS . 7386 1 44 59 SER . 7386 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 . ALA 1 1 7386 1 . LYS 2 2 7386 1 . ARG 3 3 7386 1 . GLU 4 4 7386 1 . PHE 5 5 7386 1 . ASN 6 6 7386 1 . GLU 7 7 7386 1 . ASN 8 8 7386 1 . ARG 9 9 7386 1 . TYR 10 10 7386 1 . LEU 11 11 7386 1 . THR 12 12 7386 1 . GLU 13 13 7386 1 . ARG 14 14 7386 1 . ARG 15 15 7386 1 . ARG 16 16 7386 1 . GLN 17 17 7386 1 . GLN 18 18 7386 1 . LEU 19 19 7386 1 . SER 20 20 7386 1 . SER 21 21 7386 1 . GLU 22 22 7386 1 . LEU 23 23 7386 1 . GLY 24 24 7386 1 . LEU 25 25 7386 1 . ASN 26 26 7386 1 . GLU 27 27 7386 1 . ALA 28 28 7386 1 . GLN 29 29 7386 1 . ILE 30 30 7386 1 . LYS 31 31 7386 1 . ILE 32 32 7386 1 . TRP 33 33 7386 1 . PHE 34 34 7386 1 . GLN 35 35 7386 1 . ASN 36 36 7386 1 . LYS 37 37 7386 1 . ARG 38 38 7386 1 . ALA 39 39 7386 1 . LYS 40 40 7386 1 . ILE 41 41 7386 1 . LYS 42 42 7386 1 . LYS 43 43 7386 1 . SER 44 44 7386 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 7386 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Segmentation_polarity_homeobox_protein_engrailed . 7227 organism . 'Drosophila melanogaster' 'Fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . . . . . . . . . 7386 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 7386 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Segmentation_polarity_homeobox_protein_engrailed . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . MR . . . . . . . . 7386 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Sample.Sf_category sample _Sample.Sf_framecode sample _Sample.Entry_ID 7386 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '500uM engrailed fragment 16-59, 50mM d-acetate, 100 mM NaCl, pH 5.7, 93%H2O / 7% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93%H2O / 7% 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 homeobox 'natural abundance' . . 1 $Segmentation_polarity_homeobox_protein_engrailed . . 500 . . uM . . . . 7386 1 2 d-acetate . . . . . . . 50 . . mM . . . . 7386 1 3 NaCl . . . . . . . 100 . . mM . . . . 7386 1 4 H2O . . . . . . . 93 . . % . . . . 7386 1 5 D2O . . . . . . . 7 . . % . . . . 7386 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 7386 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 145 . mM 7386 1 pH 5.7 . pH 7386 1 pressure 1 . atm 7386 1 temperature 278 . K 7386 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 7386 _Software.ID 1 _Software.Name NMRPipe _Software.Version 'Last Update July 2, 2006' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Delaglio . . 7386 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 7386 1 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 7386 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.106 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddart . . 7386 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7386 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 7386 _Software.ID 3 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Brunger . . 7386 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 7386 3 stop_ save_ save_CNS2 _Software.Sf_category software _Software.Sf_framecode CNS2 _Software.Entry_ID 7386 _Software.ID 4 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Brunger . . 7386 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7386 4 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 7386 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 7386 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_500 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode 500 _NMR_spectrometer_list.Entry_ID 7386 _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 DRX . 600 . . . 7386 1 2 spectrometer_2 Bruker DRX . 500 . . . 7386 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 7386 _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 NOESY' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7386 1 2 '2D TOCSY' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7386 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 7386 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 internal indirect . . . . 1 $citations . . 1 $citations 7386 1 H 1 TSP 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $citations . . 1 $citations 7386 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.101329118 . . . 1 $citations . . 1 $citations 7386 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 7386 _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 NOESY' . . . 7386 1 2 '2D TOCSY' . . . 7386 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.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA HA H 1 4.111 0.02 . 1 . . . . 16 ALA HA . 7386 1 2 . 1 1 1 1 ALA HB1 H 1 1.535 0.02 . 2 . . . . 16 ALA HB . 7386 1 3 . 1 1 1 1 ALA HB2 H 1 1.535 0.02 . 2 . . . . 16 ALA HB . 7386 1 4 . 1 1 1 1 ALA HB3 H 1 1.535 0.02 . 2 . . . . 16 ALA HB . 7386 1 5 . 1 1 1 1 ALA C C 13 173.808 0.10 . 1 . . . . 16 ALA C . 7386 1 6 . 1 1 1 1 ALA CA C 13 51.710 0.10 . 1 . . . . 16 ALA CA . 7386 1 7 . 1 1 1 1 ALA CB C 13 19.650 0.10 . 1 . . . . 16 ALA CB . 7386 1 8 . 1 1 2 2 LYS H H 1 8.755 0.02 . 1 . . . . 17 LYS H . 7386 1 9 . 1 1 2 2 LYS HA H 1 4.328 0.02 . 1 . . . . 17 LYS HA . 7386 1 10 . 1 1 2 2 LYS HB2 H 1 1.810 0.02 . 2 . . . . 17 LYS HB2 . 7386 1 11 . 1 1 2 2 LYS HB3 H 1 1.784 0.02 . 2 . . . . 17 LYS HB3 . 7386 1 12 . 1 1 2 2 LYS HD2 H 1 1.692 0.02 . 2 . . . . 17 LYS HD2 . 7386 1 13 . 1 1 2 2 LYS HD3 H 1 1.692 0.02 . 2 . . . . 17 LYS HD3 . 7386 1 14 . 1 1 2 2 LYS HG2 H 1 1.452 0.02 . 2 . . . . 17 LYS HG2 . 7386 1 15 . 1 1 2 2 LYS HG3 H 1 1.426 0.02 . 2 . . . . 17 LYS HG3 . 7386 1 16 . 1 1 2 2 LYS C C 13 176.549 0.10 . 1 . . . . 17 LYS C . 7386 1 17 . 1 1 2 2 LYS CA C 13 56.648 0.10 . 1 . . . . 17 LYS CA . 7386 1 18 . 1 1 2 2 LYS CB C 13 33.168 0.10 . 1 . . . . 17 LYS CB . 7386 1 19 . 1 1 2 2 LYS N N 15 121.409 0.10 . 1 . . . . 17 LYS N . 7386 1 20 . 1 1 3 3 ARG H H 1 8.678 0.02 . 1 . . . . 18 ARG H . 7386 1 21 . 1 1 3 3 ARG HA H 1 4.287 0.02 . 1 . . . . 18 ARG HA . 7386 1 22 . 1 1 3 3 ARG HB2 H 1 1.758 0.02 . 2 . . . . 18 ARG HB2 . 7386 1 23 . 1 1 3 3 ARG HB3 H 1 1.545 0.02 . 2 . . . . 18 ARG HB3 . 7386 1 24 . 1 1 3 3 ARG HD2 H 1 3.175 0.02 . 2 . . . . 18 ARG HD2 . 7386 1 25 . 1 1 3 3 ARG HD3 H 1 3.175 0.02 . 2 . . . . 18 ARG HD3 . 7386 1 26 . 1 1 3 3 ARG HE H 1 7.259 0.02 . 1 . . . . 18 ARG HE . 7386 1 27 . 1 1 3 3 ARG HG2 H 1 1.616 0.02 . 2 . . . . 18 ARG HG2 . 7386 1 28 . 1 1 3 3 ARG C C 13 176.156 0.10 . 1 . . . . 18 ARG C . 7386 1 29 . 1 1 3 3 ARG CA C 13 56.357 0.10 . 1 . . . . 18 ARG CA . 7386 1 30 . 1 1 3 3 ARG CB C 13 30.744 0.10 . 1 . . . . 18 ARG CB . 7386 1 31 . 1 1 3 3 ARG N N 15 124.065 0.10 . 1 . . . . 18 ARG N . 7386 1 32 . 1 1 4 4 GLU H H 1 8.650 0.02 . 1 . . . . 19 GLU H . 7386 1 33 . 1 1 4 4 GLU HA H 1 4.283 0.02 . 1 . . . . 19 GLU HA . 7386 1 34 . 1 1 4 4 GLU HB2 H 1 1.881 0.02 . 2 . . . . 19 GLU HB2 . 7386 1 35 . 1 1 4 4 GLU HB3 H 1 1.986 0.02 . 2 . . . . 19 GLU HB3 . 7386 1 36 . 1 1 4 4 GLU HG2 H 1 2.172 0.02 . 2 . . . . 19 GLU HG2 . 7386 1 37 . 1 1 4 4 GLU HG3 H 1 2.230 0.02 . 2 . . . . 19 GLU HG3 . 7386 1 38 . 1 1 4 4 GLU C C 13 176.221 0.10 . 1 . . . . 19 GLU C . 7386 1 39 . 1 1 4 4 GLU CA C 13 56.420 0.10 . 1 . . . . 19 GLU CA . 7386 1 40 . 1 1 4 4 GLU CB C 13 30.465 0.10 . 1 . . . . 19 GLU CB . 7386 1 41 . 1 1 4 4 GLU CG C 13 36.059 0.10 . 1 . . . . 19 GLU CG . 7386 1 42 . 1 1 4 4 GLU N N 15 123.198 0.10 . 1 . . . . 19 GLU N . 7386 1 43 . 1 1 5 5 PHE H H 1 8.545 0.02 . 1 . . . . 20 PHE H . 7386 1 44 . 1 1 5 5 PHE HA H 1 4.586 0.02 . 1 . . . . 20 PHE HA . 7386 1 45 . 1 1 5 5 PHE HB2 H 1 3.040 0.02 . 2 . . . . 20 PHE HB2 . 7386 1 46 . 1 1 5 5 PHE HB3 H 1 3.098 0.02 . 2 . . . . 20 PHE HB3 . 7386 1 47 . 1 1 5 5 PHE HD1 H 1 7.238 0.02 . 3 . . . . 20 PHE HD1 . 7386 1 48 . 1 1 5 5 PHE HD2 H 1 7.238 0.02 . 3 . . . . 20 PHE HD2 . 7386 1 49 . 1 1 5 5 PHE HE1 H 1 7.305 0.02 . 3 . . . . 20 PHE HE1 . 7386 1 50 . 1 1 5 5 PHE HE2 H 1 7.305 0.02 . 3 . . . . 20 PHE HE2 . 7386 1 51 . 1 1 5 5 PHE C C 13 175.550 0.10 . 1 . . . . 20 PHE C . 7386 1 52 . 1 1 5 5 PHE CA C 13 58.162 0.10 . 1 . . . . 20 PHE CA . 7386 1 53 . 1 1 5 5 PHE CB C 13 39.717 0.10 . 1 . . . . 20 PHE CB . 7386 1 54 . 1 1 5 5 PHE N N 15 122.005 0.10 . 1 . . . . 20 PHE N . 7386 1 55 . 1 1 6 6 ASN H H 1 8.491 0.02 . 1 . . . . 21 ASN H . 7386 1 56 . 1 1 6 6 ASN HA H 1 4.649 0.02 . 1 . . . . 21 ASN HA . 7386 1 57 . 1 1 6 6 ASN HB2 H 1 2.785 0.02 . 2 . . . . 21 ASN HB2 . 7386 1 58 . 1 1 6 6 ASN HB3 H 1 2.721 0.02 . 2 . . . . 21 ASN HB3 . 7386 1 59 . 1 1 6 6 ASN HD21 H 1 7.746 0.02 . 2 . . . . 21 ASN HD21 . 7386 1 60 . 1 1 6 6 ASN HD22 H 1 7.051 0.02 . 2 . . . . 21 ASN HD22 . 7386 1 61 . 1 1 6 6 ASN C C 13 175.243 0.10 . 1 . . . . 21 ASN C . 7386 1 62 . 1 1 6 6 ASN CA C 13 53.265 0.10 . 1 . . . . 21 ASN CA . 7386 1 63 . 1 1 6 6 ASN CB C 13 39.013 0.10 . 1 . . . . 21 ASN CB . 7386 1 64 . 1 1 6 6 ASN N N 15 121.349 0.10 . 1 . . . . 21 ASN N . 7386 1 65 . 1 1 7 7 GLU H H 1 8.591 0.02 . 1 . . . . 22 GLU H . 7386 1 66 . 1 1 7 7 GLU HA H 1 4.157 0.02 . 1 . . . . 22 GLU HA . 7386 1 67 . 1 1 7 7 GLU HB2 H 1 2.070 0.02 . 2 . . . . 22 GLU HB2 . 7386 1 68 . 1 1 7 7 GLU HB3 H 1 1.999 0.02 . 2 . . . . 22 GLU HB3 . 7386 1 69 . 1 1 7 7 GLU HG2 H 1 2.293 0.02 . 2 . . . . 22 GLU HG2 . 7386 1 70 . 1 1 7 7 GLU HG3 H 1 2.293 0.02 . 2 . . . . 22 GLU HG3 . 7386 1 71 . 1 1 7 7 GLU C C 13 176.696 0.10 . 1 . . . . 22 GLU C . 7386 1 72 . 1 1 7 7 GLU CA C 13 57.515 0.10 . 1 . . . . 22 GLU CA . 7386 1 73 . 1 1 7 7 GLU CB C 13 30.057 0.10 . 1 . . . . 22 GLU CB . 7386 1 74 . 1 1 7 7 GLU CG C 13 36.127 0.10 . 1 . . . . 22 GLU CG . 7386 1 75 . 1 1 7 7 GLU N N 15 122.415 0.10 . 1 . . . . 22 GLU N . 7386 1 76 . 1 1 8 8 ASN H H 1 8.562 0.02 . 1 . . . . 23 ASN H . 7386 1 77 . 1 1 8 8 ASN HA H 1 4.641 0.02 . 1 . . . . 23 ASN HA . 7386 1 78 . 1 1 8 8 ASN HB2 H 1 2.823 0.02 . 2 . . . . 23 ASN HB2 . 7386 1 79 . 1 1 8 8 ASN HB3 H 1 2.823 0.02 . 2 . . . . 23 ASN HB3 . 7386 1 80 . 1 1 8 8 ASN HD21 H 1 7.756 0.02 . 2 . . . . 23 ASN HD21 . 7386 1 81 . 1 1 8 8 ASN HD22 H 1 7.067 0.02 . 2 . . . . 23 ASN HD22 . 7386 1 82 . 1 1 8 8 ASN C C 13 176.271 0.10 . 1 . . . . 23 ASN C . 7386 1 83 . 1 1 8 8 ASN CA C 13 54.193 0.10 . 1 . . . . 23 ASN CA . 7386 1 84 . 1 1 8 8 ASN CB C 13 38.468 0.10 . 1 . . . . 23 ASN CB . 7386 1 85 . 1 1 8 8 ASN N N 15 119.225 0.10 . 1 . . . . 23 ASN N . 7386 1 86 . 1 1 9 9 ARG H H 1 8.304 0.02 . 1 . . . . 24 ARG H . 7386 1 87 . 1 1 9 9 ARG HA H 1 4.139 0.02 . 1 . . . . 24 ARG HA . 7386 1 88 . 1 1 9 9 ARG HB2 H 1 1.718 0.02 . 2 . . . . 24 ARG HB2 . 7386 1 89 . 1 1 9 9 ARG HB3 H 1 1.718 0.02 . 2 . . . . 24 ARG HB3 . 7386 1 90 . 1 1 9 9 ARG HD2 H 1 3.098 0.02 . 2 . . . . 24 ARG HD2 . 7386 1 91 . 1 1 9 9 ARG HD3 H 1 3.098 0.02 . 2 . . . . 24 ARG HD3 . 7386 1 92 . 1 1 9 9 ARG HE H 1 7.257 0.02 . 1 . . . . 24 ARG HE . 7386 1 93 . 1 1 9 9 ARG HG2 H 1 1.440 0.02 . 2 . . . . 24 ARG HG2 . 7386 1 94 . 1 1 9 9 ARG HG3 H 1 1.440 0.02 . 2 . . . . 24 ARG HG3 . 7386 1 95 . 1 1 9 9 ARG C C 13 176.893 0.10 . 1 . . . . 24 ARG C . 7386 1 96 . 1 1 9 9 ARG CA C 13 57.769 0.10 . 1 . . . . 24 ARG CA . 7386 1 97 . 1 1 9 9 ARG CB C 13 30.228 0.10 . 1 . . . . 24 ARG CB . 7386 1 98 . 1 1 9 9 ARG CG C 13 26.954 0.10 . 1 . . . . 24 ARG CG . 7386 1 99 . 1 1 9 9 ARG N N 15 121.603 0.10 . 1 . . . . 24 ARG N . 7386 1 100 . 1 1 10 10 TYR H H 1 8.138 0.02 . 1 . . . . 25 TYR H . 7386 1 101 . 1 1 10 10 TYR HA H 1 4.510 0.02 . 1 . . . . 25 TYR HA . 7386 1 102 . 1 1 10 10 TYR HB2 H 1 3.120 0.02 . 2 . . . . 25 TYR HB2 . 7386 1 103 . 1 1 10 10 TYR HB3 H 1 3.001 0.02 . 2 . . . . 25 TYR HB3 . 7386 1 104 . 1 1 10 10 TYR HD1 H 1 7.133 0.02 . 3 . . . . 25 TYR HD1 . 7386 1 105 . 1 1 10 10 TYR HD2 H 1 7.133 0.02 . 3 . . . . 25 TYR HD2 . 7386 1 106 . 1 1 10 10 TYR HE1 H 1 6.831 0.02 . 3 . . . . 25 TYR HE1 . 7386 1 107 . 1 1 10 10 TYR HE2 H 1 6.831 0.02 . 3 . . . . 25 TYR HE2 . 7386 1 108 . 1 1 10 10 TYR C C 13 176.650 0.10 . 1 . . . . 25 TYR C . 7386 1 109 . 1 1 10 10 TYR CA C 13 58.971 0.10 . 1 . . . . 25 TYR CA . 7386 1 110 . 1 1 10 10 TYR CB C 13 38.337 0.10 . 1 . . . . 25 TYR CB . 7386 1 111 . 1 1 10 10 TYR N N 15 119.537 0.10 . 1 . . . . 25 TYR N . 7386 1 112 . 1 1 11 11 LEU H H 1 8.101 0.02 . 1 . . . . 26 LEU H . 7386 1 113 . 1 1 11 11 LEU HA H 1 4.197 0.02 . 1 . . . . 26 LEU HA . 7386 1 114 . 1 1 11 11 LEU HB2 H 1 1.599 0.02 . 2 . . . . 26 LEU HB2 . 7386 1 115 . 1 1 11 11 LEU HB3 H 1 1.553 0.02 . 2 . . . . 26 LEU HB3 . 7386 1 116 . 1 1 11 11 LEU HD11 H 1 0.900 0.02 . 2 . . . . 26 LEU HD1 . 7386 1 117 . 1 1 11 11 LEU HD12 H 1 0.900 0.02 . 2 . . . . 26 LEU HD1 . 7386 1 118 . 1 1 11 11 LEU HD13 H 1 0.900 0.02 . 2 . . . . 26 LEU HD1 . 7386 1 119 . 1 1 11 11 LEU HD21 H 1 0.860 0.02 . 2 . . . . 26 LEU HD2 . 7386 1 120 . 1 1 11 11 LEU HD22 H 1 0.860 0.02 . 2 . . . . 26 LEU HD2 . 7386 1 121 . 1 1 11 11 LEU HD23 H 1 0.860 0.02 . 2 . . . . 26 LEU HD2 . 7386 1 122 . 1 1 11 11 LEU C C 13 178.476 0.10 . 1 . . . . 26 LEU C . 7386 1 123 . 1 1 11 11 LEU CA C 13 56.084 0.10 . 1 . . . . 26 LEU CA . 7386 1 124 . 1 1 11 11 LEU CB C 13 42.117 0.10 . 1 . . . . 26 LEU CB . 7386 1 125 . 1 1 11 11 LEU CD1 C 13 25.135 0.10 . 2 . . . . 26 LEU CD1 . 7386 1 126 . 1 1 11 11 LEU CD2 C 13 23.759 0.10 . 2 . . . . 26 LEU CD2 . 7386 1 127 . 1 1 11 11 LEU N N 15 121.949 0.10 . 1 . . . . 26 LEU N . 7386 1 128 . 1 1 12 12 THR H H 1 8.078 0.02 . 1 . . . . 27 THR H . 7386 1 129 . 1 1 12 12 THR HA H 1 4.187 0.02 . 1 . . . . 27 THR HA . 7386 1 130 . 1 1 12 12 THR HB H 1 4.407 0.02 . 1 . . . . 27 THR HB . 7386 1 131 . 1 1 12 12 THR HG21 H 1 1.261 0.02 . 2 . . . . 27 THR HG2 . 7386 1 132 . 1 1 12 12 THR HG22 H 1 1.261 0.02 . 2 . . . . 27 THR HG2 . 7386 1 133 . 1 1 12 12 THR HG23 H 1 1.261 0.02 . 2 . . . . 27 THR HG2 . 7386 1 134 . 1 1 12 12 THR C C 13 175.644 0.10 . 1 . . . . 27 THR C . 7386 1 135 . 1 1 12 12 THR CA C 13 63.420 0.10 . 1 . . . . 27 THR CA . 7386 1 136 . 1 1 12 12 THR CB C 13 69.784 0.10 . 1 . . . . 27 THR CB . 7386 1 137 . 1 1 12 12 THR CG2 C 13 21.941 0.10 . 1 . . . . 27 THR CG2 . 7386 1 138 . 1 1 12 12 THR N N 15 115.118 0.10 . 1 . . . . 27 THR N . 7386 1 139 . 1 1 13 13 GLU H H 1 8.525 0.02 . 1 . . . . 28 GLU H . 7386 1 140 . 1 1 13 13 GLU HA H 1 4.154 0.02 . 1 . . . . 28 GLU HA . 7386 1 141 . 1 1 13 13 GLU HB2 H 1 2.057 0.02 . 2 . . . . 28 GLU HB2 . 7386 1 142 . 1 1 13 13 GLU HB3 H 1 2.057 0.02 . 2 . . . . 28 GLU HB3 . 7386 1 143 . 1 1 13 13 GLU HG2 H 1 2.329 0.02 . 2 . . . . 28 GLU HG2 . 7386 1 144 . 1 1 13 13 GLU HG3 H 1 2.329 0.02 . 2 . . . . 28 GLU HG3 . 7386 1 145 . 1 1 13 13 GLU C C 13 178.220 0.10 . 1 . . . . 28 GLU C . 7386 1 146 . 1 1 13 13 GLU CA C 13 58.709 0.10 . 1 . . . . 28 GLU CA . 7386 1 147 . 1 1 13 13 GLU CB C 13 29.260 0.10 . 1 . . . . 28 GLU CB . 7386 1 148 . 1 1 13 13 GLU CG C 13 36.018 0.10 . 1 . . . . 28 GLU CG . 7386 1 149 . 1 1 13 13 GLU N N 15 122.669 0.10 . 1 . . . . 28 GLU N . 7386 1 150 . 1 1 14 14 ARG H H 1 8.350 0.02 . 1 . . . . 29 ARG H . 7386 1 151 . 1 1 14 14 ARG HA H 1 4.125 0.02 . 1 . . . . 29 ARG HA . 7386 1 152 . 1 1 14 14 ARG HB2 H 1 1.809 0.02 . 2 . . . . 29 ARG HB2 . 7386 1 153 . 1 1 14 14 ARG HB3 H 1 1.809 0.02 . 2 . . . . 29 ARG HB3 . 7386 1 154 . 1 1 14 14 ARG HD2 H 1 3.157 0.02 . 2 . . . . 29 ARG HD2 . 7386 1 155 . 1 1 14 14 ARG HD3 H 1 3.157 0.02 . 2 . . . . 29 ARG HD3 . 7386 1 156 . 1 1 14 14 ARG HE H 1 7.276 0.02 . 1 . . . . 29 ARG HE . 7386 1 157 . 1 1 14 14 ARG HG2 H 1 1.639 0.02 . 2 . . . . 29 ARG HG2 . 7386 1 158 . 1 1 14 14 ARG HG3 H 1 1.581 0.02 . 2 . . . . 29 ARG HG3 . 7386 1 159 . 1 1 14 14 ARG C C 13 178.411 0.10 . 1 . . . . 29 ARG C . 7386 1 160 . 1 1 14 14 ARG CA C 13 58.309 0.10 . 1 . . . . 29 ARG CA . 7386 1 161 . 1 1 14 14 ARG CB C 13 30.072 0.10 . 1 . . . . 29 ARG CB . 7386 1 162 . 1 1 14 14 ARG N N 15 120.179 0.10 . 1 . . . . 29 ARG N . 7386 1 163 . 1 1 15 15 ARG H H 1 8.104 0.02 . 1 . . . . 30 ARG H . 7386 1 164 . 1 1 15 15 ARG HA H 1 4.209 0.02 . 1 . . . . 30 ARG HA . 7386 1 165 . 1 1 15 15 ARG HB2 H 1 1.963 0.02 . 2 . . . . 30 ARG HB2 . 7386 1 166 . 1 1 15 15 ARG HB3 H 1 1.909 0.02 . 2 . . . . 30 ARG HB3 . 7386 1 167 . 1 1 15 15 ARG HD2 H 1 3.178 0.02 . 2 . . . . 30 ARG HD2 . 7386 1 168 . 1 1 15 15 ARG HD3 H 1 3.178 0.02 . 2 . . . . 30 ARG HD3 . 7386 1 169 . 1 1 15 15 ARG HE H 1 7.383 0.02 . 1 . . . . 30 ARG HE . 7386 1 170 . 1 1 15 15 ARG HG2 H 1 1.714 0.02 . 2 . . . . 30 ARG HG2 . 7386 1 171 . 1 1 15 15 ARG HG3 H 1 1.618 0.02 . 2 . . . . 30 ARG HG3 . 7386 1 172 . 1 1 15 15 ARG C C 13 177.933 0.10 . 1 . . . . 30 ARG C . 7386 1 173 . 1 1 15 15 ARG CA C 13 57.634 0.10 . 1 . . . . 30 ARG CA . 7386 1 174 . 1 1 15 15 ARG CB C 13 29.803 0.10 . 1 . . . . 30 ARG CB . 7386 1 175 . 1 1 15 15 ARG N N 15 120.661 0.10 . 1 . . . . 30 ARG N . 7386 1 176 . 1 1 16 16 ARG H H 1 8.432 0.02 . 1 . . . . 31 ARG H . 7386 1 177 . 1 1 16 16 ARG HA H 1 3.990 0.02 . 1 . . . . 31 ARG HA . 7386 1 178 . 1 1 16 16 ARG HB2 H 1 1.935 0.02 . 2 . . . . 31 ARG HB2 . 7386 1 179 . 1 1 16 16 ARG HB3 H 1 1.895 0.02 . 2 . . . . 31 ARG HB3 . 7386 1 180 . 1 1 16 16 ARG HD2 H 1 3.182 0.02 . 2 . . . . 31 ARG HD2 . 7386 1 181 . 1 1 16 16 ARG HD3 H 1 3.182 0.02 . 2 . . . . 31 ARG HD3 . 7386 1 182 . 1 1 16 16 ARG HE H 1 7.581 0.02 . 1 . . . . 31 ARG HE . 7386 1 183 . 1 1 16 16 ARG HG2 H 1 1.713 0.02 . 2 . . . . 31 ARG HG2 . 7386 1 184 . 1 1 16 16 ARG HG3 H 1 1.580 0.02 . 2 . . . . 31 ARG HG3 . 7386 1 185 . 1 1 16 16 ARG C C 13 178.193 0.10 . 1 . . . . 31 ARG C . 7386 1 186 . 1 1 16 16 ARG CA C 13 59.054 0.10 . 1 . . . . 31 ARG CA . 7386 1 187 . 1 1 16 16 ARG CB C 13 30.256 0.10 . 1 . . . . 31 ARG CB . 7386 1 188 . 1 1 16 16 ARG N N 15 120.734 0.10 . 1 . . . . 31 ARG N . 7386 1 189 . 1 1 17 17 GLN H H 1 8.303 0.02 . 1 . . . . 32 GLN H . 7386 1 190 . 1 1 17 17 GLN HA H 1 4.131 0.02 . 1 . . . . 32 GLN HA . 7386 1 191 . 1 1 17 17 GLN HB2 H 1 2.149 0.02 . 2 . . . . 32 GLN HB2 . 7386 1 192 . 1 1 17 17 GLN HB3 H 1 2.149 0.02 . 2 . . . . 32 GLN HB3 . 7386 1 193 . 1 1 17 17 GLN HE21 H 1 7.706 0.02 . 2 . . . . 32 GLN HE21 . 7386 1 194 . 1 1 17 17 GLN HE22 H 1 6.926 0.02 . 2 . . . . 32 GLN HE22 . 7386 1 195 . 1 1 17 17 GLN HG2 H 1 2.413 0.02 . 2 . . . . 32 GLN HG2 . 7386 1 196 . 1 1 17 17 GLN HG3 H 1 2.510 0.02 . 2 . . . . 32 GLN HG3 . 7386 1 197 . 1 1 17 17 GLN C C 13 177.855 0.10 . 1 . . . . 32 GLN C . 7386 1 198 . 1 1 17 17 GLN CA C 13 57.854 0.10 . 1 . . . . 32 GLN CA . 7386 1 199 . 1 1 17 17 GLN CB C 13 28.585 0.10 . 1 . . . . 32 GLN CB . 7386 1 200 . 1 1 17 17 GLN CG C 13 33.878 0.10 . 1 . . . . 32 GLN CG . 7386 1 201 . 1 1 17 17 GLN N N 15 119.365 0.10 . 1 . . . . 32 GLN N . 7386 1 202 . 1 1 18 18 GLN H H 1 8.199 0.02 . 1 . . . . 33 GLN H . 7386 1 203 . 1 1 18 18 GLN HA H 1 4.169 0.02 . 1 . . . . 33 GLN HA . 7386 1 204 . 1 1 18 18 GLN HB2 H 1 2.155 0.02 . 2 . . . . 33 GLN HB2 . 7386 1 205 . 1 1 18 18 GLN HB3 H 1 2.155 0.02 . 2 . . . . 33 GLN HB3 . 7386 1 206 . 1 1 18 18 GLN HE21 H 1 6.829 0.02 . 2 . . . . 33 GLN HE21 . 7386 1 207 . 1 1 18 18 GLN HE22 H 1 7.707 0.02 . 2 . . . . 33 GLN HE22 . 7386 1 208 . 1 1 18 18 GLN HG2 H 1 2.480 0.02 . 2 . . . . 33 GLN HG2 . 7386 1 209 . 1 1 18 18 GLN HG3 H 1 2.329 0.02 . 2 . . . . 33 GLN HG3 . 7386 1 210 . 1 1 18 18 GLN C C 13 177.636 0.10 . 1 . . . . 33 GLN C . 7386 1 211 . 1 1 18 18 GLN CA C 13 57.865 0.10 . 1 . . . . 33 GLN CA . 7386 1 212 . 1 1 18 18 GLN CB C 13 28.656 0.10 . 1 . . . . 33 GLN CB . 7386 1 213 . 1 1 18 18 GLN CG C 13 33.694 0.10 . 1 . . . . 33 GLN CG . 7386 1 214 . 1 1 18 18 GLN N N 15 121.184 0.10 . 1 . . . . 33 GLN N . 7386 1 215 . 1 1 18 18 GLN NE2 N 15 112.125 0.10 . 1 . . . . 33 GLN NE2 . 7386 1 216 . 1 1 19 19 LEU H H 1 8.393 0.02 . 1 . . . . 34 LEU H . 7386 1 217 . 1 1 19 19 LEU HA H 1 4.116 0.02 . 1 . . . . 34 LEU HA . 7386 1 218 . 1 1 19 19 LEU HB2 H 1 1.731 0.02 . 2 . . . . 34 LEU HB2 . 7386 1 219 . 1 1 19 19 LEU HB3 H 1 1.390 0.02 . 2 . . . . 34 LEU HB3 . 7386 1 220 . 1 1 19 19 LEU HD11 H 1 0.663 0.02 . 2 . . . . 34 LEU HD1 . 7386 1 221 . 1 1 19 19 LEU HD12 H 1 0.663 0.02 . 2 . . . . 34 LEU HD1 . 7386 1 222 . 1 1 19 19 LEU HD13 H 1 0.663 0.02 . 2 . . . . 34 LEU HD1 . 7386 1 223 . 1 1 19 19 LEU HD21 H 1 0.577 0.02 . 2 . . . . 34 LEU HD2 . 7386 1 224 . 1 1 19 19 LEU HD22 H 1 0.577 0.02 . 2 . . . . 34 LEU HD2 . 7386 1 225 . 1 1 19 19 LEU HD23 H 1 0.577 0.02 . 2 . . . . 34 LEU HD2 . 7386 1 226 . 1 1 19 19 LEU HG H 1 1.589 0.02 . 1 . . . . 34 LEU HG . 7386 1 227 . 1 1 19 19 LEU C C 13 178.712 0.10 . 1 . . . . 34 LEU C . 7386 1 228 . 1 1 19 19 LEU CA C 13 56.856 0.10 . 1 . . . . 34 LEU CA . 7386 1 229 . 1 1 19 19 LEU CB C 13 42.132 0.10 . 1 . . . . 34 LEU CB . 7386 1 230 . 1 1 19 19 LEU CD1 C 13 25.579 0.10 . 2 . . . . 34 LEU CD1 . 7386 1 231 . 1 1 19 19 LEU CD2 C 13 22.770 0.10 . 2 . . . . 34 LEU CD2 . 7386 1 232 . 1 1 19 19 LEU N N 15 121.325 0.10 . 1 . . . . 34 LEU N . 7386 1 233 . 1 1 20 20 SER H H 1 8.242 0.02 . 1 . . . . 35 SER H . 7386 1 234 . 1 1 20 20 SER HA H 1 4.345 0.02 . 1 . . . . 35 SER HA . 7386 1 235 . 1 1 20 20 SER HB2 H 1 3.955 0.02 . 2 . . . . 35 SER HB2 . 7386 1 236 . 1 1 20 20 SER HB3 H 1 3.908 0.02 . 2 . . . . 35 SER HB3 . 7386 1 237 . 1 1 20 20 SER C C 13 176.359 0.10 . 1 . . . . 35 SER C . 7386 1 238 . 1 1 20 20 SER CA C 13 60.440 0.10 . 1 . . . . 35 SER CA . 7386 1 239 . 1 1 20 20 SER CB C 13 63.463 0.10 . 1 . . . . 35 SER CB . 7386 1 240 . 1 1 20 20 SER N N 15 114.456 0.10 . 1 . . . . 35 SER N . 7386 1 241 . 1 1 21 21 SER H H 1 8.237 0.02 . 1 . . . . 36 SER H . 7386 1 242 . 1 1 21 21 SER HA H 1 4.356 0.02 . 1 . . . . 36 SER HA . 7386 1 243 . 1 1 21 21 SER HB2 H 1 3.908 0.02 . 2 . . . . 36 SER HB2 . 7386 1 244 . 1 1 21 21 SER HB3 H 1 3.908 0.02 . 2 . . . . 36 SER HB3 . 7386 1 245 . 1 1 21 21 SER C C 13 175.804 0.10 . 1 . . . . 36 SER C . 7386 1 246 . 1 1 21 21 SER CA C 13 60.178 0.10 . 1 . . . . 36 SER CA . 7386 1 247 . 1 1 21 21 SER CB C 13 63.530 0.10 . 1 . . . . 36 SER CB . 7386 1 248 . 1 1 21 21 SER N N 15 116.540 0.10 . 1 . . . . 36 SER N . 7386 1 249 . 1 1 22 22 GLU H H 1 8.433 0.02 . 1 . . . . 37 GLU H . 7386 1 250 . 1 1 22 22 GLU HA H 1 4.219 0.02 . 1 . . . . 37 GLU HA . 7386 1 251 . 1 1 22 22 GLU HB2 H 1 2.050 0.02 . 2 . . . . 37 GLU HB2 . 7386 1 252 . 1 1 22 22 GLU HB3 H 1 2.050 0.02 . 2 . . . . 37 GLU HB3 . 7386 1 253 . 1 1 22 22 GLU HG2 H 1 2.230 0.02 . 2 . . . . 37 GLU HG2 . 7386 1 254 . 1 1 22 22 GLU HG3 H 1 2.371 0.02 . 2 . . . . 37 GLU HG3 . 7386 1 255 . 1 1 22 22 GLU C C 13 177.664 0.10 . 1 . . . . 37 GLU C . 7386 1 256 . 1 1 22 22 GLU CA C 13 57.788 0.10 . 1 . . . . 37 GLU CA . 7386 1 257 . 1 1 22 22 GLU CB C 13 29.894 0.10 . 1 . . . . 37 GLU CB . 7386 1 258 . 1 1 22 22 GLU CG C 13 36.250 0.10 . 1 . . . . 37 GLU CG . 7386 1 259 . 1 1 22 22 GLU N N 15 121.661 0.10 . 1 . . . . 37 GLU N . 7386 1 260 . 1 1 23 23 LEU H H 1 7.878 0.02 . 1 . . . . 38 LEU H . 7386 1 261 . 1 1 23 23 LEU HA H 1 4.343 0.02 . 1 . . . . 38 LEU HA . 7386 1 262 . 1 1 23 23 LEU HB2 H 1 1.718 0.02 . 2 . . . . 38 LEU HB2 . 7386 1 263 . 1 1 23 23 LEU HB3 H 1 1.502 0.02 . 2 . . . . 38 LEU HB3 . 7386 1 264 . 1 1 23 23 LEU HD11 H 1 0.682 0.02 . 2 . . . . 38 LEU HD1 . 7386 1 265 . 1 1 23 23 LEU HD12 H 1 0.682 0.02 . 2 . . . . 38 LEU HD1 . 7386 1 266 . 1 1 23 23 LEU HD13 H 1 0.682 0.02 . 2 . . . . 38 LEU HD1 . 7386 1 267 . 1 1 23 23 LEU HD21 H 1 0.790 0.02 . 2 . . . . 38 LEU HD2 . 7386 1 268 . 1 1 23 23 LEU HD22 H 1 0.790 0.02 . 2 . . . . 38 LEU HD2 . 7386 1 269 . 1 1 23 23 LEU HD23 H 1 0.790 0.02 . 2 . . . . 38 LEU HD2 . 7386 1 270 . 1 1 23 23 LEU HG H 1 1.594 0.02 . 1 . . . . 38 LEU HG . 7386 1 271 . 1 1 23 23 LEU C C 13 178.171 0.10 . 1 . . . . 38 LEU C . 7386 1 272 . 1 1 23 23 LEU CA C 13 55.381 0.10 . 1 . . . . 38 LEU CA . 7386 1 273 . 1 1 23 23 LEU CB C 13 42.482 0.10 . 1 . . . . 38 LEU CB . 7386 1 274 . 1 1 23 23 LEU CD1 C 13 25.187 0.10 . 2 . . . . 38 LEU CD1 . 7386 1 275 . 1 1 23 23 LEU CD2 C 13 22.926 0.10 . 2 . . . . 38 LEU CD2 . 7386 1 276 . 1 1 23 23 LEU N N 15 118.520 0.10 . 1 . . . . 38 LEU N . 7386 1 277 . 1 1 24 24 GLY H H 1 7.936 0.02 . 1 . . . . 39 GLY H . 7386 1 278 . 1 1 24 24 GLY HA2 H 1 3.935 0.02 . 2 . . . . 39 GLY HA2 . 7386 1 279 . 1 1 24 24 GLY HA3 H 1 3.935 0.02 . 2 . . . . 39 GLY HA3 . 7386 1 280 . 1 1 24 24 GLY C C 13 174.652 0.10 . 1 . . . . 39 GLY C . 7386 1 281 . 1 1 24 24 GLY CA C 13 46.068 0.10 . 1 . . . . 39 GLY CA . 7386 1 282 . 1 1 24 24 GLY N N 15 108.765 0.10 . 1 . . . . 39 GLY N . 7386 1 283 . 1 1 25 25 LEU H H 1 7.706 0.02 . 1 . . . . 40 LEU H . 7386 1 284 . 1 1 25 25 LEU HA H 1 4.427 0.02 . 1 . . . . 40 LEU HA . 7386 1 285 . 1 1 25 25 LEU HB2 H 1 1.491 0.02 . 2 . . . . 40 LEU HB2 . 7386 1 286 . 1 1 25 25 LEU HB3 H 1 1.491 0.02 . 2 . . . . 40 LEU HB3 . 7386 1 287 . 1 1 25 25 LEU HD11 H 1 0.675 0.02 . 2 . . . . 40 LEU HD1 . 7386 1 288 . 1 1 25 25 LEU HD12 H 1 0.675 0.02 . 2 . . . . 40 LEU HD1 . 7386 1 289 . 1 1 25 25 LEU HD13 H 1 0.675 0.02 . 2 . . . . 40 LEU HD1 . 7386 1 290 . 1 1 25 25 LEU HD21 H 1 0.731 0.02 . 2 . . . . 40 LEU HD2 . 7386 1 291 . 1 1 25 25 LEU HD22 H 1 0.731 0.02 . 2 . . . . 40 LEU HD2 . 7386 1 292 . 1 1 25 25 LEU HD23 H 1 0.731 0.02 . 2 . . . . 40 LEU HD2 . 7386 1 293 . 1 1 25 25 LEU C C 13 177.348 0.10 . 1 . . . . 40 LEU C . 7386 1 294 . 1 1 25 25 LEU CA C 13 54.848 0.10 . 1 . . . . 40 LEU CA . 7386 1 295 . 1 1 25 25 LEU CB C 13 42.945 0.10 . 1 . . . . 40 LEU CB . 7386 1 296 . 1 1 25 25 LEU CD1 C 13 25.435 0.10 . 2 . . . . 40 LEU CD1 . 7386 1 297 . 1 1 25 25 LEU CD2 C 13 22.456 0.10 . 2 . . . . 40 LEU CD2 . 7386 1 298 . 1 1 25 25 LEU N N 15 119.711 0.10 . 1 . . . . 40 LEU N . 7386 1 299 . 1 1 26 26 ASN H H 1 8.649 0.02 . 1 . . . . 41 ASN H . 7386 1 300 . 1 1 26 26 ASN HA H 1 4.713 0.02 . 1 . . . . 41 ASN HA . 7386 1 301 . 1 1 26 26 ASN HB2 H 1 2.900 0.02 . 2 . . . . 41 ASN HB2 . 7386 1 302 . 1 1 26 26 ASN HB3 H 1 3.146 0.02 . 2 . . . . 41 ASN HB3 . 7386 1 303 . 1 1 26 26 ASN HD21 H 1 6.996 0.02 . 2 . . . . 41 ASN HD21 . 7386 1 304 . 1 1 26 26 ASN HD22 H 1 7.604 0.02 . 2 . . . . 41 ASN HD22 . 7386 1 305 . 1 1 26 26 ASN C C 13 175.576 0.10 . 1 . . . . 41 ASN C . 7386 1 306 . 1 1 26 26 ASN CA C 13 52.193 0.10 . 1 . . . . 41 ASN CA . 7386 1 307 . 1 1 26 26 ASN CB C 13 38.543 0.10 . 1 . . . . 41 ASN CB . 7386 1 308 . 1 1 26 26 ASN N N 15 119.551 0.10 . 1 . . . . 41 ASN N . 7386 1 309 . 1 1 27 27 GLU H H 1 8.569 0.02 . 1 . . . . 42 GLU H . 7386 1 310 . 1 1 27 27 GLU HA H 1 3.989 0.02 . 1 . . . . 42 GLU HA . 7386 1 311 . 1 1 27 27 GLU HB2 H 1 2.054 0.02 . 2 . . . . 42 GLU HB2 . 7386 1 312 . 1 1 27 27 GLU HB3 H 1 2.054 0.02 . 2 . . . . 42 GLU HB3 . 7386 1 313 . 1 1 27 27 GLU HG2 H 1 2.316 0.02 . 2 . . . . 42 GLU HG2 . 7386 1 314 . 1 1 27 27 GLU HG3 H 1 2.373 0.02 . 2 . . . . 42 GLU HG3 . 7386 1 315 . 1 1 27 27 GLU C C 13 178.189 0.10 . 1 . . . . 42 GLU C . 7386 1 316 . 1 1 27 27 GLU CA C 13 59.564 0.10 . 1 . . . . 42 GLU CA . 7386 1 317 . 1 1 27 27 GLU CB C 13 29.599 0.10 . 1 . . . . 42 GLU CB . 7386 1 318 . 1 1 27 27 GLU CG C 13 36.247 0.10 . 1 . . . . 42 GLU CG . 7386 1 319 . 1 1 27 27 GLU N N 15 118.844 0.10 . 1 . . . . 42 GLU N . 7386 1 320 . 1 1 28 28 ALA H H 1 8.311 0.02 . 1 . . . . 43 ALA H . 7386 1 321 . 1 1 28 28 ALA HA H 1 4.172 0.02 . 1 . . . . 43 ALA HA . 7386 1 322 . 1 1 28 28 ALA HB1 H 1 1.480 0.02 . 2 . . . . 43 ALA HB . 7386 1 323 . 1 1 28 28 ALA HB2 H 1 1.480 0.02 . 2 . . . . 43 ALA HB . 7386 1 324 . 1 1 28 28 ALA HB3 H 1 1.480 0.02 . 2 . . . . 43 ALA HB . 7386 1 325 . 1 1 28 28 ALA C C 13 180.520 0.10 . 1 . . . . 43 ALA C . 7386 1 326 . 1 1 28 28 ALA CA C 13 54.864 0.10 . 1 . . . . 43 ALA CA . 7386 1 327 . 1 1 28 28 ALA CB C 13 18.328 0.10 . 1 . . . . 43 ALA CB . 7386 1 328 . 1 1 28 28 ALA N N 15 122.906 0.10 . 1 . . . . 43 ALA N . 7386 1 329 . 1 1 29 29 GLN H H 1 8.461 0.02 . 1 . . . . 44 GLN H . 7386 1 330 . 1 1 29 29 GLN HA H 1 4.100 0.02 . 1 . . . . 44 GLN HA . 7386 1 331 . 1 1 29 29 GLN HB2 H 1 2.246 0.02 . 2 . . . . 44 GLN HB2 . 7386 1 332 . 1 1 29 29 GLN HB3 H 1 2.021 0.02 . 2 . . . . 44 GLN HB3 . 7386 1 333 . 1 1 29 29 GLN HE21 H 1 7.553 0.02 . 2 . . . . 44 GLN HE21 . 7386 1 334 . 1 1 29 29 GLN HE22 H 1 6.909 0.02 . 2 . . . . 44 GLN HE22 . 7386 1 335 . 1 1 29 29 GLN HG2 H 1 2.377 0.02 . 2 . . . . 44 GLN HG2 . 7386 1 336 . 1 1 29 29 GLN HG3 H 1 2.578 0.02 . 2 . . . . 44 GLN HG3 . 7386 1 337 . 1 1 29 29 GLN C C 13 179.034 0.10 . 1 . . . . 44 GLN C . 7386 1 338 . 1 1 29 29 GLN CA C 13 57.806 0.10 . 1 . . . . 44 GLN CA . 7386 1 339 . 1 1 29 29 GLN CB C 13 29.315 0.10 . 1 . . . . 44 GLN CB . 7386 1 340 . 1 1 29 29 GLN CG C 13 34.177 0.10 . 1 . . . . 44 GLN CG . 7386 1 341 . 1 1 29 29 GLN N N 15 118.057 0.10 . 1 . . . . 44 GLN N . 7386 1 342 . 1 1 30 30 ILE H H 1 8.544 0.02 . 1 . . . . 45 ILE H . 7386 1 343 . 1 1 30 30 ILE HA H 1 3.828 0.02 . 1 . . . . 45 ILE HA . 7386 1 344 . 1 1 30 30 ILE HB H 1 1.934 0.02 . 1 . . . . 45 ILE HB . 7386 1 345 . 1 1 30 30 ILE HD11 H 1 0.734 0.02 . 2 . . . . 45 ILE HD1 . 7386 1 346 . 1 1 30 30 ILE HD12 H 1 0.734 0.02 . 2 . . . . 45 ILE HD1 . 7386 1 347 . 1 1 30 30 ILE HD13 H 1 0.734 0.02 . 2 . . . . 45 ILE HD1 . 7386 1 348 . 1 1 30 30 ILE HG12 H 1 1.628 0.02 . 1 . . . . 45 ILE HG12 . 7386 1 349 . 1 1 30 30 ILE HG13 H 1 0.986 0.02 . 1 . . . . 45 ILE HG13 . 7386 1 350 . 1 1 30 30 ILE HG21 H 1 0.990 0.02 . 2 . . . . 45 ILE HG2 . 7386 1 351 . 1 1 30 30 ILE HG22 H 1 0.990 0.02 . 2 . . . . 45 ILE HG2 . 7386 1 352 . 1 1 30 30 ILE HG23 H 1 0.990 0.02 . 2 . . . . 45 ILE HG2 . 7386 1 353 . 1 1 30 30 ILE C C 13 177.204 0.10 . 1 . . . . 45 ILE C . 7386 1 354 . 1 1 30 30 ILE CA C 13 64.362 0.10 . 1 . . . . 45 ILE CA . 7386 1 355 . 1 1 30 30 ILE CB C 13 37.871 0.10 . 1 . . . . 45 ILE CB . 7386 1 356 . 1 1 30 30 ILE CD1 C 13 13.346 0.10 . 1 . . . . 45 ILE CD1 . 7386 1 357 . 1 1 30 30 ILE CG1 C 13 29.537 0.10 . 1 . . . . 45 ILE CG1 . 7386 1 358 . 1 1 30 30 ILE CG2 C 13 17.919 0.10 . 1 . . . . 45 ILE CG2 . 7386 1 359 . 1 1 30 30 ILE N N 15 122.907 0.10 . 1 . . . . 45 ILE N . 7386 1 360 . 1 1 31 31 LYS H H 1 7.924 0.02 . 1 . . . . 46 LYS H . 7386 1 361 . 1 1 31 31 LYS HA H 1 4.211 0.02 . 1 . . . . 46 LYS HA . 7386 1 362 . 1 1 31 31 LYS HB2 H 1 1.924 0.02 . 2 . . . . 46 LYS HB2 . 7386 1 363 . 1 1 31 31 LYS HB3 H 1 1.924 0.02 . 2 . . . . 46 LYS HB3 . 7386 1 364 . 1 1 31 31 LYS HD2 H 1 1.709 0.02 . 2 . . . . 46 LYS HD2 . 7386 1 365 . 1 1 31 31 LYS HD3 H 1 1.709 0.02 . 2 . . . . 46 LYS HD3 . 7386 1 366 . 1 1 31 31 LYS HE2 H 1 2.960 0.02 . 2 . . . . 46 LYS HE2 . 7386 1 367 . 1 1 31 31 LYS HE3 H 1 2.960 0.02 . 2 . . . . 46 LYS HE3 . 7386 1 368 . 1 1 31 31 LYS HG2 H 1 1.407 0.02 . 2 . . . . 46 LYS HG2 . 7386 1 369 . 1 1 31 31 LYS HG3 H 1 1.613 0.02 . 2 . . . . 46 LYS HG3 . 7386 1 370 . 1 1 31 31 LYS C C 13 179.083 0.10 . 1 . . . . 46 LYS C . 7386 1 371 . 1 1 31 31 LYS CA C 13 59.329 0.10 . 1 . . . . 46 LYS CA . 7386 1 372 . 1 1 31 31 LYS CB C 13 32.489 0.10 . 1 . . . . 46 LYS CB . 7386 1 373 . 1 1 31 31 LYS CD C 13 29.541 0.10 . 1 . . . . 46 LYS CD . 7386 1 374 . 1 1 31 31 LYS CE C 13 42.127 0.10 . 1 . . . . 46 LYS CE . 7386 1 375 . 1 1 31 31 LYS N N 15 120.987 0.10 . 1 . . . . 46 LYS N . 7386 1 376 . 1 1 32 32 ILE H H 1 7.597 0.02 . 1 . . . . 47 ILE H . 7386 1 377 . 1 1 32 32 ILE HA H 1 3.901 0.02 . 1 . . . . 47 ILE HA . 7386 1 378 . 1 1 32 32 ILE HB H 1 1.928 0.02 . 1 . . . . 47 ILE HB . 7386 1 379 . 1 1 32 32 ILE HD11 H 1 0.877 0.02 . 2 . . . . 47 ILE HD1 . 7386 1 380 . 1 1 32 32 ILE HD12 H 1 0.877 0.02 . 2 . . . . 47 ILE HD1 . 7386 1 381 . 1 1 32 32 ILE HD13 H 1 0.877 0.02 . 2 . . . . 47 ILE HD1 . 7386 1 382 . 1 1 32 32 ILE HG12 H 1 1.630 0.02 . 1 . . . . 47 ILE HG11 . 7386 1 383 . 1 1 32 32 ILE HG13 H 1 1.255 0.02 . 1 . . . . 47 ILE HG12 . 7386 1 384 . 1 1 32 32 ILE HG21 H 1 0.916 0.02 . 2 . . . . 47 ILE HG2 . 7386 1 385 . 1 1 32 32 ILE HG22 H 1 0.916 0.02 . 2 . . . . 47 ILE HG2 . 7386 1 386 . 1 1 32 32 ILE HG23 H 1 0.916 0.02 . 2 . . . . 47 ILE HG2 . 7386 1 387 . 1 1 32 32 ILE C C 13 177.348 0.10 . 1 . . . . 47 ILE C . 7386 1 388 . 1 1 32 32 ILE CA C 13 63.500 0.10 . 1 . . . . 47 ILE CA . 7386 1 389 . 1 1 32 32 ILE CB C 13 38.259 0.10 . 1 . . . . 47 ILE CB . 7386 1 390 . 1 1 32 32 ILE CD1 C 13 12.778 0.10 . 1 . . . . 47 ILE CD1 . 7386 1 391 . 1 1 32 32 ILE CG1 C 13 28.692 0.10 . 1 . . . . 47 ILE CG1 . 7386 1 392 . 1 1 32 32 ILE CG2 C 13 17.477 0.10 . 1 . . . . 47 ILE CG2 . 7386 1 393 . 1 1 32 32 ILE N N 15 119.780 0.10 . 1 . . . . 47 ILE N . 7386 1 394 . 1 1 33 33 TRP H H 1 8.352 0.02 . 1 . . . . 48 TRP H . 7386 1 395 . 1 1 33 33 TRP HA H 1 4.273 0.02 . 1 . . . . 48 TRP HA . 7386 1 396 . 1 1 33 33 TRP HB2 H 1 3.391 0.02 . 2 . . . . 48 TRP HB2 . 7386 1 397 . 1 1 33 33 TRP HB3 H 1 3.214 0.02 . 2 . . . . 48 TRP HB3 . 7386 1 398 . 1 1 33 33 TRP HD1 H 1 6.932 0.02 . 1 . . . . 48 TRP HD1 . 7386 1 399 . 1 1 33 33 TRP HE1 H 1 10.164 0.02 . 1 . . . . 48 TRP HE1 . 7386 1 400 . 1 1 33 33 TRP HE3 H 1 7.206 0.02 . 1 . . . . 48 TRP HE3 . 7386 1 401 . 1 1 33 33 TRP HH2 H 1 7.124 0.02 . 1 . . . . 48 TRP HH2 . 7386 1 402 . 1 1 33 33 TRP HZ2 H 1 7.399 0.02 . 1 . . . . 48 TRP HZ2 . 7386 1 403 . 1 1 33 33 TRP HZ3 H 1 6.900 0.02 . 1 . . . . 48 TRP HZ3 . 7386 1 404 . 1 1 33 33 TRP C C 13 178.544 0.10 . 1 . . . . 48 TRP C . 7386 1 405 . 1 1 33 33 TRP CA C 13 60.581 0.10 . 1 . . . . 48 TRP CA . 7386 1 406 . 1 1 33 33 TRP CB C 13 29.254 0.10 . 1 . . . . 48 TRP CB . 7386 1 407 . 1 1 33 33 TRP N N 15 123.287 0.10 . 1 . . . . 48 TRP N . 7386 1 408 . 1 1 33 33 TRP NE1 N 15 129.424 0.10 . 1 . . . . 48 TRP NE1 . 7386 1 409 . 1 1 34 34 PHE H H 1 8.519 0.02 . 1 . . . . 49 PHE H . 7386 1 410 . 1 1 34 34 PHE HA H 1 4.246 0.02 . 1 . . . . 49 PHE HA . 7386 1 411 . 1 1 34 34 PHE HB2 H 1 3.229 0.02 . 2 . . . . 49 PHE HB2 . 7386 1 412 . 1 1 34 34 PHE HB3 H 1 3.164 0.02 . 2 . . . . 49 PHE HB3 . 7386 1 413 . 1 1 34 34 PHE HD1 H 1 7.405 0.02 . 3 . . . . 49 PHE HD1 . 7386 1 414 . 1 1 34 34 PHE HD2 H 1 7.405 0.02 . 3 . . . . 49 PHE HD2 . 7386 1 415 . 1 1 34 34 PHE HE1 H 1 7.366 0.02 . 3 . . . . 49 PHE HE1 . 7386 1 416 . 1 1 34 34 PHE HE2 H 1 7.366 0.02 . 3 . . . . 49 PHE HE2 . 7386 1 417 . 1 1 34 34 PHE HZ H 1 7.289 0.02 . 1 . . . . 49 PHE HZ . 7386 1 418 . 1 1 34 34 PHE C C 13 177.549 0.10 . 1 . . . . 49 PHE C . 7386 1 419 . 1 1 34 34 PHE CA C 13 60.717 0.10 . 1 . . . . 49 PHE CA . 7386 1 420 . 1 1 34 34 PHE CB C 13 39.398 0.10 . 1 . . . . 49 PHE CB . 7386 1 421 . 1 1 34 34 PHE N N 15 118.096 0.10 . 1 . . . . 49 PHE N . 7386 1 422 . 1 1 35 35 GLN H H 1 8.186 0.02 . 1 . . . . 50 GLN H . 7386 1 423 . 1 1 35 35 GLN HA H 1 4.082 0.02 . 1 . . . . 50 GLN HA . 7386 1 424 . 1 1 35 35 GLN HB2 H 1 2.199 0.02 . 2 . . . . 50 GLN HB2 . 7386 1 425 . 1 1 35 35 GLN HB3 H 1 2.151 0.02 . 2 . . . . 50 GLN HB3 . 7386 1 426 . 1 1 35 35 GLN HE21 H 1 7.646 0.02 . 2 . . . . 50 GLN HE21 . 7386 1 427 . 1 1 35 35 GLN HE22 H 1 7.002 0.02 . 2 . . . . 50 GLN HE22 . 7386 1 428 . 1 1 35 35 GLN HG2 H 1 2.492 0.02 . 2 . . . . 50 GLN HG2 . 7386 1 429 . 1 1 35 35 GLN HG3 H 1 2.429 0.02 . 2 . . . . 50 GLN HG3 . 7386 1 430 . 1 1 35 35 GLN C C 13 177.510 0.10 . 1 . . . . 50 GLN C . 7386 1 431 . 1 1 35 35 GLN CA C 13 57.843 0.10 . 1 . . . . 50 GLN CA . 7386 1 432 . 1 1 35 35 GLN CB C 13 28.707 0.10 . 1 . . . . 50 GLN CB . 7386 1 433 . 1 1 35 35 GLN CG C 13 33.930 0.10 . 1 . . . . 50 GLN CG . 7386 1 434 . 1 1 35 35 GLN N N 15 120.218 0.10 . 1 . . . . 50 GLN N . 7386 1 435 . 1 1 36 36 ASN H H 1 8.359 0.02 . 1 . . . . 51 ASN H . 7386 1 436 . 1 1 36 36 ASN HA H 1 4.549 0.02 . 1 . . . . 51 ASN HA . 7386 1 437 . 1 1 36 36 ASN HB2 H 1 2.769 0.02 . 2 . . . . 51 ASN HB2 . 7386 1 438 . 1 1 36 36 ASN HB3 H 1 2.769 0.02 . 2 . . . . 51 ASN HB3 . 7386 1 439 . 1 1 36 36 ASN HD21 H 1 7.666 0.02 . 2 . . . . 51 ASN HD21 . 7386 1 440 . 1 1 36 36 ASN HD22 H 1 7.017 0.02 . 2 . . . . 51 ASN HD22 . 7386 1 441 . 1 1 36 36 ASN C C 13 176.327 0.10 . 1 . . . . 51 ASN C . 7386 1 442 . 1 1 36 36 ASN CA C 13 54.308 0.10 . 1 . . . . 51 ASN CA . 7386 1 443 . 1 1 36 36 ASN CB C 13 38.281 0.10 . 1 . . . . 51 ASN CB . 7386 1 444 . 1 1 36 36 ASN N N 15 118.530 0.10 . 1 . . . . 51 ASN N . 7386 1 445 . 1 1 37 37 LYS H H 1 7.960 0.02 . 1 . . . . 52 LYS H . 7386 1 446 . 1 1 37 37 LYS HA H 1 4.049 0.02 . 1 . . . . 52 LYS HA . 7386 1 447 . 1 1 37 37 LYS HB2 H 1 1.688 0.02 . 2 . . . . 52 LYS HB2 . 7386 1 448 . 1 1 37 37 LYS HB3 H 1 1.521 0.02 . 2 . . . . 52 LYS HB3 . 7386 1 449 . 1 1 37 37 LYS HD2 H 1 1.415 0.02 . 2 . . . . 52 LYS HD2 . 7386 1 450 . 1 1 37 37 LYS HD3 H 1 1.415 0.02 . 2 . . . . 52 LYS HD3 . 7386 1 451 . 1 1 37 37 LYS HE2 H 1 2.707 0.02 . 2 . . . . 52 LYS HE2 . 7386 1 452 . 1 1 37 37 LYS HE3 H 1 2.799 0.02 . 2 . . . . 52 LYS HE3 . 7386 1 453 . 1 1 37 37 LYS HG2 H 1 1.163 0.02 . 2 . . . . 52 LYS HG2 . 7386 1 454 . 1 1 37 37 LYS HG3 H 1 1.163 0.02 . 2 . . . . 52 LYS HG3 . 7386 1 455 . 1 1 37 37 LYS C C 13 177.510 0.10 . 1 . . . . 52 LYS C . 7386 1 456 . 1 1 37 37 LYS CA C 13 57.189 0.10 . 1 . . . . 52 LYS CA . 7386 1 457 . 1 1 37 37 LYS CB C 13 32.282 0.10 . 1 . . . . 52 LYS CB . 7386 1 458 . 1 1 37 37 LYS CD C 13 28.861 0.10 . 1 . . . . 52 LYS CD . 7386 1 459 . 1 1 37 37 LYS CE C 13 42.014 0.10 . 1 . . . . 52 LYS CE . 7386 1 460 . 1 1 37 37 LYS CG C 13 24.410 0.10 . 1 . . . . 52 LYS CG . 7386 1 461 . 1 1 37 37 LYS N N 15 120.912 0.10 . 1 . . . . 52 LYS N . 7386 1 462 . 1 1 38 38 ARG H H 1 8.027 0.02 . 1 . . . . 53 ARG H . 7386 1 463 . 1 1 38 38 ARG HA H 1 4.175 0.02 . 1 . . . . 53 ARG HA . 7386 1 464 . 1 1 38 38 ARG HB2 H 1 1.821 0.02 . 2 . . . . 53 ARG HB2 . 7386 1 465 . 1 1 38 38 ARG HB3 H 1 1.736 0.02 . 2 . . . . 53 ARG HB3 . 7386 1 466 . 1 1 38 38 ARG HD2 H 1 3.134 0.02 . 2 . . . . 53 ARG HD2 . 7386 1 467 . 1 1 38 38 ARG HD3 H 1 3.134 0.02 . 2 . . . . 53 ARG HD3 . 7386 1 468 . 1 1 38 38 ARG HG2 H 1 1.632 0.02 . 2 . . . . 53 ARG HG2 . 7386 1 469 . 1 1 38 38 ARG HG3 H 1 1.576 0.02 . 2 . . . . 53 ARG HG3 . 7386 1 470 . 1 1 38 38 ARG C C 13 176.654 0.10 . 1 . . . . 53 ARG C . 7386 1 471 . 1 1 38 38 ARG CA C 13 56.714 0.10 . 1 . . . . 53 ARG CA . 7386 1 472 . 1 1 38 38 ARG CB C 13 30.476 0.10 . 1 . . . . 53 ARG CB . 7386 1 473 . 1 1 38 38 ARG N N 15 120.283 0.10 . 1 . . . . 53 ARG N . 7386 1 474 . 1 1 39 39 ALA H H 1 8.077 0.02 . 1 . . . . 54 ALA H . 7386 1 475 . 1 1 39 39 ALA HA H 1 4.239 0.02 . 1 . . . . 54 ALA HA . 7386 1 476 . 1 1 39 39 ALA HB1 H 1 1.405 0.02 . 2 . . . . 54 ALA HB . 7386 1 477 . 1 1 39 39 ALA HB2 H 1 1.405 0.02 . 2 . . . . 54 ALA HB . 7386 1 478 . 1 1 39 39 ALA HB3 H 1 1.405 0.02 . 2 . . . . 54 ALA HB . 7386 1 479 . 1 1 39 39 ALA C C 13 177.960 0.10 . 1 . . . . 54 ALA C . 7386 1 480 . 1 1 39 39 ALA CA C 13 52.869 0.10 . 1 . . . . 54 ALA CA . 7386 1 481 . 1 1 39 39 ALA CB C 13 19.253 0.10 . 1 . . . . 54 ALA CB . 7386 1 482 . 1 1 39 39 ALA N N 15 124.017 0.10 . 1 . . . . 54 ALA N . 7386 1 483 . 1 1 40 40 LYS H H 1 8.203 0.02 . 1 . . . . 55 LYS H . 7386 1 484 . 1 1 40 40 LYS HA H 1 4.270 0.02 . 1 . . . . 55 LYS HA . 7386 1 485 . 1 1 40 40 LYS HB2 H 1 1.834 0.02 . 2 . . . . 55 LYS HB2 . 7386 1 486 . 1 1 40 40 LYS HB3 H 1 1.757 0.02 . 2 . . . . 55 LYS HB3 . 7386 1 487 . 1 1 40 40 LYS HD2 H 1 1.668 0.02 . 2 . . . . 55 LYS HD2 . 7386 1 488 . 1 1 40 40 LYS HD3 H 1 1.668 0.02 . 2 . . . . 55 LYS HD3 . 7386 1 489 . 1 1 40 40 LYS HE2 H 1 2.986 0.02 . 2 . . . . 55 LYS HE2 . 7386 1 490 . 1 1 40 40 LYS HE3 H 1 2.986 0.02 . 2 . . . . 55 LYS HE3 . 7386 1 491 . 1 1 40 40 LYS HG2 H 1 1.486 0.02 . 2 . . . . 55 LYS HG2 . 7386 1 492 . 1 1 40 40 LYS HG3 H 1 1.486 0.02 . 2 . . . . 55 LYS HG3 . 7386 1 493 . 1 1 40 40 LYS C C 13 176.795 0.10 . 1 . . . . 55 LYS C . 7386 1 494 . 1 1 40 40 LYS CA C 13 56.437 0.10 . 1 . . . . 55 LYS CA . 7386 1 495 . 1 1 40 40 LYS CB C 13 32.791 0.10 . 1 . . . . 55 LYS CB . 7386 1 496 . 1 1 40 40 LYS CE C 13 42.120 0.10 . 1 . . . . 55 LYS CE . 7386 1 497 . 1 1 40 40 LYS N N 15 120.392 0.10 . 1 . . . . 55 LYS N . 7386 1 498 . 1 1 41 41 ILE H H 1 8.144 0.02 . 1 . . . . 56 ILE H . 7386 1 499 . 1 1 41 41 ILE HA H 1 4.104 0.02 . 1 . . . . 56 ILE HA . 7386 1 500 . 1 1 41 41 ILE HB H 1 1.842 0.02 . 1 . . . . 56 ILE HB . 7386 1 501 . 1 1 41 41 ILE HD11 H 1 0.862 0.02 . 2 . . . . 56 ILE HD1 . 7386 1 502 . 1 1 41 41 ILE HD12 H 1 0.862 0.02 . 2 . . . . 56 ILE HD1 . 7386 1 503 . 1 1 41 41 ILE HD13 H 1 0.862 0.02 . 2 . . . . 56 ILE HD1 . 7386 1 504 . 1 1 41 41 ILE HG12 H 1 1.204 0.02 . 1 . . . . 56 ILE HG11 . 7386 1 505 . 1 1 41 41 ILE HG13 H 1 1.503 0.02 . 1 . . . . 56 ILE HG12 . 7386 1 506 . 1 1 41 41 ILE HG21 H 1 0.900 0.02 . 2 . . . . 56 ILE HG2 . 7386 1 507 . 1 1 41 41 ILE HG22 H 1 0.900 0.02 . 2 . . . . 56 ILE HG2 . 7386 1 508 . 1 1 41 41 ILE HG23 H 1 0.900 0.02 . 2 . . . . 56 ILE HG2 . 7386 1 509 . 1 1 41 41 ILE C C 13 176.264 0.10 . 1 . . . . 56 ILE C . 7386 1 510 . 1 1 41 41 ILE CA C 13 61.139 0.10 . 1 . . . . 56 ILE CA . 7386 1 511 . 1 1 41 41 ILE CB C 13 38.504 0.10 . 1 . . . . 56 ILE CB . 7386 1 512 . 1 1 41 41 ILE CD1 C 13 12.848 0.10 . 1 . . . . 56 ILE CD1 . 7386 1 513 . 1 1 41 41 ILE CG1 C 13 27.480 0.10 . 1 . . . . 56 ILE CG1 . 7386 1 514 . 1 1 41 41 ILE CG2 C 13 17.422 0.10 . 1 . . . . 56 ILE CG2 . 7386 1 515 . 1 1 41 41 ILE N N 15 122.689 0.10 . 1 . . . . 56 ILE N . 7386 1 516 . 1 1 42 42 LYS H H 1 8.526 0.02 . 1 . . . . 57 LYS H . 7386 1 517 . 1 1 42 42 LYS HA H 1 4.332 0.02 . 1 . . . . 57 LYS HA . 7386 1 518 . 1 1 42 42 LYS HB2 H 1 1.840 0.02 . 2 . . . . 57 LYS HB2 . 7386 1 519 . 1 1 42 42 LYS HB3 H 1 1.769 0.02 . 2 . . . . 57 LYS HB3 . 7386 1 520 . 1 1 42 42 LYS HD2 H 1 1.700 0.02 . 2 . . . . 57 LYS HD2 . 7386 1 521 . 1 1 42 42 LYS HD3 H 1 1.700 0.02 . 2 . . . . 57 LYS HD3 . 7386 1 522 . 1 1 42 42 LYS HG2 H 1 1.460 0.02 . 2 . . . . 57 LYS HG2 . 7386 1 523 . 1 1 42 42 LYS HG3 H 1 1.460 0.02 . 2 . . . . 57 LYS HG3 . 7386 1 524 . 1 1 42 42 LYS C C 13 176.338 0.10 . 1 . . . . 57 LYS C . 7386 1 525 . 1 1 42 42 LYS CA C 13 56.386 0.10 . 1 . . . . 57 LYS CA . 7386 1 526 . 1 1 42 42 LYS CB C 13 33.195 0.10 . 1 . . . . 57 LYS CB . 7386 1 527 . 1 1 42 42 LYS N N 15 126.972 0.10 . 1 . . . . 57 LYS N . 7386 1 528 . 1 1 43 43 LYS H H 1 8.595 0.02 . 1 . . . . 58 LYS H . 7386 1 529 . 1 1 43 43 LYS HA H 1 4.359 0.02 . 1 . . . . 58 LYS HA . 7386 1 530 . 1 1 43 43 LYS HB2 H 1 1.790 0.02 . 2 . . . . 58 LYS HB2 . 7386 1 531 . 1 1 43 43 LYS HB3 H 1 1.893 0.02 . 2 . . . . 58 LYS HB3 . 7386 1 532 . 1 1 43 43 LYS HD2 H 1 1.694 0.02 . 2 . . . . 58 LYS HD2 . 7386 1 533 . 1 1 43 43 LYS HD3 H 1 1.694 0.02 . 2 . . . . 58 LYS HD3 . 7386 1 534 . 1 1 43 43 LYS HG2 H 1 1.479 0.02 . 2 . . . . 58 LYS HG2 . 7386 1 535 . 1 1 43 43 LYS HG3 H 1 1.479 0.02 . 2 . . . . 58 LYS HG3 . 7386 1 536 . 1 1 43 43 LYS C C 13 175.936 0.10 . 1 . . . . 58 LYS C . 7386 1 537 . 1 1 43 43 LYS CA C 13 56.630 0.10 . 1 . . . . 58 LYS CA . 7386 1 538 . 1 1 43 43 LYS CB C 13 33.177 0.10 . 1 . . . . 58 LYS CB . 7386 1 539 . 1 1 43 43 LYS N N 15 125.047 0.10 . 1 . . . . 58 LYS N . 7386 1 540 . 1 1 44 44 SER H H 1 8.146 0.02 . 1 . . . . 59 SER H . 7386 1 541 . 1 1 44 44 SER HA H 1 4.269 0.02 . 1 . . . . 59 SER HA . 7386 1 542 . 1 1 44 44 SER HB2 H 1 3.864 0.02 . 2 . . . . 59 SER HB2 . 7386 1 543 . 1 1 44 44 SER HB3 H 1 3.864 0.02 . 2 . . . . 59 SER HB3 . 7386 1 544 . 1 1 44 44 SER CA C 13 60.104 0.10 . 1 . . . . 59 SER CA . 7386 1 545 . 1 1 44 44 SER CB C 13 64.749 0.10 . 1 . . . . 59 SER CB . 7386 1 546 . 1 1 44 44 SER N N 15 123.555 0.10 . 1 . . . . 59 SER N . 7386 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constant_list_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constant_list_1 _Coupling_constant_list.Entry_ID 7386 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H . _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 1 '2D NOESY' . . . 7386 1 2 '2D TOCSY' . . . 7386 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 2 2 LYS H H 1 . . 1 1 2 2 LYS HA H 1 . 6.3 . . 0.5 . . . 17 LYS H . 17 LYS HA . 7386 1 2 3JHNHA . 1 1 3 3 ARG H H 1 . . 1 1 3 3 ARG HA H 1 . 6.9 . . 0.5 . . . 18 ARG H . 18 ARG HA . 7386 1 3 3JHNHA . 1 1 4 4 GLU H H 1 . . 1 1 4 4 GLU HA H 1 . 7.3 . . 0.5 . . . 19 GLU H . 19 GLU HA . 7386 1 4 3JHNHA . 1 1 5 5 PHE H H 1 . . 1 1 5 5 PHE HA H 1 . 7.6 . . 0.5 . . . 20 PHE H . 20 PHE HA . 7386 1 5 3JHNHA . 1 1 6 6 ASN H H 1 . . 1 1 6 6 ASN HA H 1 . 7.3 . . 0.5 . . . 21 ASN H . 21 ASN HA . 7386 1 6 3JHNHA . 1 1 7 7 GLU H H 1 . . 1 1 7 7 GLU HA H 1 . 5.8 . . 0.5 . . . 22 GLU H . 22 GLU HA . 7386 1 7 3JHNHA . 1 1 8 8 ASN H H 1 . . 1 1 8 8 ASN HA H 1 . 6.7 . . 0.5 . . . 23 ASN H . 23 ASN HA . 7386 1 8 3JHNHA . 1 1 9 9 ARG H H 1 . . 1 1 9 9 ARG HA H 1 . 6.0 . . 0.5 . . . 24 ARG H . 24 ARG HA . 7386 1 9 3JHNHA . 1 1 10 10 TYR H H 1 . . 1 1 10 10 TYR HA H 1 . 6.4 . . 0.5 . . . 25 TYR H . 25 TYR HA . 7386 1 10 3JHNHA . 1 1 11 11 LEU H H 1 . . 1 1 11 11 LEU HA H 1 . 6.6 . . 0.5 . . . 26 LEU H . 26 LEU HA . 7386 1 11 3JHNHA . 1 1 12 12 THR H H 1 . . 1 1 12 12 THR HA H 1 . 6.8 . . 0.5 . . . 27 THR H . 27 THR HA . 7386 1 12 3JHNHA . 1 1 13 13 GLU H H 1 . . 1 1 13 13 GLU HA H 1 . 6.2 . . 0.5 . . . 28 GLU H . 28 GLU HA . 7386 1 13 3JHNHA . 1 1 14 14 ARG H H 1 . . 1 1 14 14 ARG HA H 1 . 5.1 . . 0.5 . . . 29 ARG H . 29 ARG HA . 7386 1 14 3JHNHA . 1 1 15 15 ARG H H 1 . . 1 1 15 15 ARG HA H 1 . 6.1 . . 0.5 . . . 30 ARG H . 30 ARG HA . 7386 1 15 3JHNHA . 1 1 16 16 ARG H H 1 . . 1 1 16 16 ARG HA H 1 . 4.7 . . 0.5 . . . 31 ARG H . 31 ARG HA . 7386 1 16 3JHNHA . 1 1 17 17 GLN H H 1 . . 1 1 17 17 GLN HA H 1 . 5.7 . . 0.5 . . . 32 GLN H . 32 GLN HA . 7386 1 17 3JHNHA . 1 1 18 18 GLN H H 1 . . 1 1 18 18 GLN HA H 1 . 6.0 . . 0.5 . . . 33 GLN H . 33 GLN HA . 7386 1 18 3JHNHA . 1 1 19 19 LEU H H 1 . . 1 1 19 19 LEU HA H 1 . 5.5 . . 0.5 . . . 34 LEU H . 34 LEU HA . 7386 1 19 3JHNHA . 1 1 20 20 SER H H 1 . . 1 1 20 20 SER HA H 1 . 5.5 . . 0.5 . . . 35 SER H . 35 SER HA . 7386 1 20 3JHNHA . 1 1 21 21 SER H H 1 . . 1 1 21 21 SER HA H 1 . 6.5 . . 0.5 . . . 36 SER H . 36 SER HA . 7386 1 21 3JHNHA . 1 1 22 22 GLU H H 1 . . 1 1 22 22 GLU HA H 1 . 6.9 . . 0.5 . . . 37 GLU H . 37 GLU HA . 7386 1 22 3JHNHA . 1 1 23 23 LEU H H 1 . . 1 1 23 23 LEU HA H 1 . 7.1 . . 0.5 . . . 38 LEU H . 38 LEU HA . 7386 1 23 3JHNHA . 1 1 24 24 GLY H H 1 . . 1 1 24 24 GLY HA H 1 . 8.1 . . 0.5 . . . 39 GLY H . 39 GLY HA . 7386 1 24 3JHNHA . 1 1 25 25 LEU H H 1 . . 1 1 25 25 LEU HA H 1 . 7.0 . . 0.5 . . . 40 LEU H . 40 LEU HA . 7386 1 25 3JHNHA . 1 1 26 26 ASN H H 1 . . 1 1 26 26 ASN HA H 1 . 8.4 . . 0.5 . . . 41 ASN H . 41 ASN HA . 7386 1 26 3JHNHA . 1 1 27 27 GLU H H 1 . . 1 1 27 27 GLU HA H 1 . 3.4 . . 0.5 . . . 42 GLU H . 42 GLU HA . 7386 1 27 3JHNHA . 1 1 28 28 ALA H H 1 . . 1 1 28 28 ALA HA H 1 . 5.5 . . 0.5 . . . 43 ALA H . 43 ALA HA . 7386 1 28 3JHNHA . 1 1 29 29 GLN H H 1 . . 1 1 29 29 GLN HA H 1 . 5.9 . . 0.5 . . . 44 GLN H . 44 GLN HA . 7386 1 29 3JHNHA . 1 1 30 30 ILE H H 1 . . 1 1 30 30 ILE HA H 1 . 5.4 . . 0.5 . . . 45 ILE H . 45 ILE HA . 7386 1 30 3JHNHA . 1 1 31 31 LYS H H 1 . . 1 1 31 31 LYS HA H 1 . 4.5 . . 0.5 . . . 46 LYS H . 46 LYS HA . 7386 1 31 3JHNHA . 1 1 32 32 ILE H H 1 . . 1 1 32 32 ILE HA H 1 . 6.3 . . 0.5 . . . 47 ILE H . 47 ILE HA . 7386 1 32 3JHNHA . 1 1 33 33 TRP H H 1 . . 1 1 33 33 TRP HA H 1 . 4.6 . . 0.5 . . . 48 TRP H . 48 TRP HA . 7386 1 33 3JHNHA . 1 1 34 34 PHE H H 1 . . 1 1 34 34 PHE HA H 1 . 5.9 . . 0.5 . . . 49 PHE H . 49 PHE HA . 7386 1 34 3JHNHA . 1 1 35 35 GLN H H 1 . . 1 1 35 35 GLN HA H 1 . 6.1 . . 0.5 . . . 50 GLN H . 50 GLN HA . 7386 1 35 3JHNHA . 1 1 36 36 ASN H H 1 . . 1 1 36 36 ASN HA H 1 . 6.3 . . 0.5 . . . 51 ASN H . 51 ASN HA . 7386 1 36 3JHNHA . 1 1 37 37 LYS H H 1 . . 1 1 37 37 LYS HA H 1 . 6.6 . . 0.5 . . . 52 LYS H . 52 LYS HA . 7386 1 37 3JHNHA . 1 1 38 38 ARG H H 1 . . 1 1 38 38 ARG HA H 1 . 7.0 . . 0.5 . . . 53 ARG H . 53 ARG HA . 7386 1 38 3JHNHA . 1 1 39 39 ALA H H 1 . . 1 1 39 39 ALA HA H 1 . 5.7 . . 0.5 . . . 54 ALA H . 54 ALA HA . 7386 1 39 3JHNHA . 1 1 40 40 LYS H H 1 . . 1 1 40 40 LYS HA H 1 . 7.4 . . 0.5 . . . 55 LYS H . 55 LYS HA . 7386 1 40 3JHNHA . 1 1 41 41 ILE H H 1 . . 1 1 41 41 ILE HA H 1 . 8.5 . . 0.5 . . . 56 ILE H . 56 ILE HA . 7386 1 41 3JHNHA . 1 1 42 42 LYS H H 1 . . 1 1 42 42 LYS HA H 1 . 7.5 . . 0.5 . . . 57 LYS H . 57 LYS HA . 7386 1 42 3JHNHA . 1 1 43 43 LYS H H 1 . . 1 1 43 43 LYS HA H 1 . 7.6 . . 0.5 . . . 58 LYS H . 58 LYS HA . 7386 1 43 3JHNHA . 1 1 44 44 SER H H 1 . . 1 1 44 44 SER HA H 1 . 8.5 . . 0.5 . . . 59 SER H . 59 SER HA . 7386 1 44 1JHNN . 1 1 2 2 LYS H H 1 . . 1 1 2 2 LYS N N 15 . 93.6 . . 0.1 . . . 17 LYS H . 17 LYS N . 7386 1 45 1JHNN . 1 1 3 3 ARG H H 1 . . 1 1 3 3 ARG N N 15 . 93.5 . . 0.1 . . . 18 ARG H . 18 ARG N . 7386 1 46 1JHNN . 1 1 4 4 GLU H H 1 . . 1 1 4 4 GLU N N 15 . 93.3 . . 0.1 . . . 19 GLU H . 19 GLU N . 7386 1 47 1JHNN . 1 1 5 5 PHE H H 1 . . 1 1 5 5 PHE N N 15 . 93.3 . . 0.1 . . . 20 PHE H . 20 PHE N . 7386 1 48 1JHNN . 1 1 6 6 ASN H H 1 . . 1 1 6 6 ASN N N 15 . 93.7 . . 0.1 . . . 21 ASN H . 21 ASN N . 7386 1 49 1JHNN . 1 1 7 7 GLU H H 1 . . 1 1 7 7 GLU N N 15 . 93.5 . . 0.1 . . . 22 GLU H . 22 GLU N . 7386 1 50 1JHNN . 1 1 8 8 ASN H H 1 . . 1 1 8 8 ASN N N 15 . 93.8 . . 0.1 . . . 23 ASN H . 23 ASN N . 7386 1 51 1JHNN . 1 1 9 9 ARG H H 1 . . 1 1 9 9 ARG N N 15 . 93.7 . . 0.1 . . . 24 ARG H . 24 ARG N . 7386 1 52 1JHNN . 1 1 10 10 TYR H H 1 . . 1 1 10 10 TYR N N 15 . 93.5 . . 0.1 . . . 25 TYR H . 25 TYR N . 7386 1 53 1JHNN . 1 1 11 11 LEU H H 1 . . 1 1 11 11 LEU N N 15 . 93.7 . . 0.1 . . . 26 LEU H . 26 LEU N . 7386 1 54 1JHNN . 1 1 12 12 THR H H 1 . . 1 1 12 12 THR N N 15 . 93.4 . . 0.1 . . . 27 THR H . 27 THR N . 7386 1 55 1JHNN . 1 1 13 13 GLU H H 1 . . 1 1 13 13 GLU N N 15 . 93.7 . . 0.1 . . . 28 GLU H . 28 GLU N . 7386 1 56 1JHNN . 1 1 14 14 ARG H H 1 . . 1 1 14 14 ARG N N 15 . 93.8 . . 0.1 . . . 29 ARG H . 29 ARG N . 7386 1 57 1JHNN . 1 1 15 15 ARG H H 1 . . 1 1 15 15 ARG N N 15 . 94.0 . . 0.1 . . . 30 ARG H . 30 ARG N . 7386 1 58 1JHNN . 1 1 16 16 ARG H H 1 . . 1 1 16 16 ARG N N 15 . 93.9 . . 0.1 . . . 31 ARG H . 31 ARG N . 7386 1 59 1JHNN . 1 1 17 17 GLN H H 1 . . 1 1 17 17 GLN N N 15 . 93.9 . . 0.1 . . . 32 GLN H . 32 GLN N . 7386 1 60 1JHNN . 1 1 18 18 GLN H H 1 . . 1 1 18 18 GLN N N 15 . 93.8 . . 0.1 . . . 33 GLN H . 33 GLN N . 7386 1 61 1JHNN . 1 1 19 19 LEU H H 1 . . 1 1 19 19 LEU N N 15 . 94.1 . . 0.1 . . . 34 LEU H . 34 LEU N . 7386 1 62 1JHNN . 1 1 20 20 SER H H 1 . . 1 1 20 20 SER N N 15 . 93.7 . . 0.1 . . . 35 SER H . 35 SER N . 7386 1 63 1JHNN . 1 1 21 21 SER H H 1 . . 1 1 21 21 SER N N 15 . 93.7 . . 0.1 . . . 36 SER H . 36 SER N . 7386 1 64 1JHNN . 1 1 22 22 GLU H H 1 . . 1 1 22 22 GLU N N 15 . 93.5 . . 0.1 . . . 37 GLU H . 37 GLU N . 7386 1 65 1JHNN . 1 1 23 23 LEU H H 1 . . 1 1 23 23 LEU N N 15 . 93.4 . . 0.1 . . . 38 LEU H . 38 LEU N . 7386 1 66 1JHNN . 1 1 24 24 GLY H H 1 . . 1 1 24 24 GLY N N 15 . 94.5 . . 0.1 . . . 39 GLY H . 39 GLY N . 7386 1 67 1JHNN . 1 1 25 25 LEU H H 1 . . 1 1 25 25 LEU N N 15 . 93.5 . . 0.1 . . . 40 LEU H . 40 LEU N . 7386 1 68 1JHNN . 1 1 26 26 ASN H H 1 . . 1 1 26 26 ASN N N 15 . 93.8 . . 0.1 . . . 41 ASN H . 41 ASN N . 7386 1 69 1JHNN . 1 1 27 27 GLU H H 1 . . 1 1 27 27 GLU N N 15 . 93.2 . . 0.1 . . . 42 GLU H . 42 GLU N . 7386 1 70 1JHNN . 1 1 28 28 ALA H H 1 . . 1 1 28 28 ALA N N 15 . 94.6 . . 0.1 . . . 43 ALA H . 43 ALA N . 7386 1 71 1JHNN . 1 1 29 29 GLN H H 1 . . 1 1 29 29 GLN N N 15 . 94.1 . . 0.1 . . . 44 GLN H . 44 GLN N . 7386 1 72 1JHNN . 1 1 30 30 ILE H H 1 . . 1 1 30 30 ILE N N 15 . 93.8 . . 0.1 . . . 45 ILE H . 45 ILE N . 7386 1 73 1JHNN . 1 1 31 31 LYS H H 1 . . 1 1 31 31 LYS N N 15 . 93.9 . . 0.1 . . . 46 LYS H . 46 LYS N . 7386 1 74 1JHNN . 1 1 32 32 ILE H H 1 . . 1 1 32 32 ILE N N 15 . 93.1 . . 0.1 . . . 47 ILE H . 47 ILE N . 7386 1 75 1JHNN . 1 1 33 33 TRP H H 1 . . 1 1 33 33 TRP N N 15 . 93.7 . . 0.1 . . . 48 TRP H . 48 TRP N . 7386 1 76 1JHNN . 1 1 34 34 PHE H H 1 . . 1 1 34 34 PHE N N 15 . 94.3 . . 0.1 . . . 49 PHE H . 49 PHE N . 7386 1 77 1JHNN . 1 1 35 35 GLN H H 1 . . 1 1 35 35 GLN N N 15 . 94.0 . . 0.1 . . . 50 GLN H . 50 GLN N . 7386 1 78 1JHNN . 1 1 36 36 ASN H H 1 . . 1 1 36 36 ASN N N 15 . 94.1 . . 0.1 . . . 51 ASN H . 51 ASN N . 7386 1 79 1JHNN . 1 1 37 37 LYS H H 1 . . 1 1 37 37 LYS N N 15 . 93.8 . . 0.1 . . . 52 LYS H . 52 LYS N . 7386 1 80 1JHNN . 1 1 38 38 ARG H H 1 . . 1 1 38 38 ARG N N 15 . 93.8 . . 0.1 . . . 53 ARG H . 53 ARG N . 7386 1 81 1JHNN . 1 1 39 39 ALA H H 1 . . 1 1 39 39 ALA N N 15 . 94.1 . . 0.1 . . . 54 ALA H . 54 ALA N . 7386 1 82 1JHNN . 1 1 40 40 LYS H H 1 . . 1 1 40 40 LYS N N 15 . 93.5 . . 0.1 . . . 55 LYS H . 55 LYS N . 7386 1 83 1JHNN . 1 1 41 41 ILE H H 1 . . 1 1 41 41 ILE N N 15 . 93.2 . . 0.1 . . . 56 ILE H . 56 ILE N . 7386 1 84 1JHNN . 1 1 42 42 LYS H H 1 . . 1 1 42 42 LYS N N 15 . 93.7 . . 0.1 . . . 57 LYS H . 57 LYS N . 7386 1 85 1JHNN . 1 1 43 43 LYS H H 1 . . 1 1 43 43 LYS N N 15 . 93.3 . . 0.1 . . . 58 LYS H . 58 LYS N . 7386 1 86 1JHNN . 1 1 44 44 SER H H 1 . . 1 1 44 44 SER N N 15 . 92.8 . . 0.1 . . . 59 SER H . 59 SER N . 7386 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID 7386 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 500 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 1 DSSE . . . 7386 1 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 2 $Sparky . . 7386 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 1DHNN . 1 1 2 2 LYS H H 1 . . 1 1 2 2 LYS N N 15 . 2.5 . . 0.2 . . . . . . . . . . . 7386 1 2 1DHNN . 1 1 3 3 ARG H H 1 . . 1 1 3 3 ARG N N 15 . 4.5 . . 0.2 . . . . . . . . . . . 7386 1 3 1DHNN . 1 1 4 4 GLU H H 1 . . 1 1 4 4 GLU N N 15 . 4.6 . . 0.2 . . . . . . . . . . . 7386 1 4 1DHNN . 1 1 5 5 PHE H H 1 . . 1 1 5 5 PHE N N 15 . 1.6 . . 0.2 . . . . . . . . . . . 7386 1 5 1DHNN . 1 1 6 6 ASN H H 1 . . 1 1 6 6 ASN N N 15 . 1.1 . . 0.2 . . . . . . . . . . . 7386 1 6 1DHNN . 1 1 7 7 GLU H H 1 . . 1 1 7 7 GLU N N 15 . -0.4 . . 0.2 . . . . . . . . . . . 7386 1 7 1DHNN . 1 1 8 8 ASN H H 1 . . 1 1 8 8 ASN N N 15 . -0.4 . . 0.2 . . . . . . . . . . . 7386 1 8 1DHNN . 1 1 9 9 ARG H H 1 . . 1 1 9 9 ARG N N 15 . -3.0 . . 0.2 . . . . . . . . . . . 7386 1 9 1DHNN . 1 1 10 10 TYR H H 1 . . 1 1 10 10 TYR N N 15 . -5.8 . . 0.2 . . . . . . . . . . . 7386 1 10 1DHNN . 1 1 11 11 LEU H H 1 . . 1 1 11 11 LEU N N 15 . -5.8 . . 0.2 . . . . . . . . . . . 7386 1 11 1DHNN . 1 1 12 12 THR H H 1 . . 1 1 12 12 THR N N 15 . -1.8 . . 0.2 . . . . . . . . . . . 7386 1 12 1DHNN . 1 1 13 13 GLU H H 1 . . 1 1 13 13 GLU N N 15 . 1.4 . . 0.2 . . . . . . . . . . . 7386 1 13 1DHNN . 1 1 14 14 ARG H H 1 . . 1 1 14 14 ARG N N 15 . -2.6 . . 0.2 . . . . . . . . . . . 7386 1 14 1DHNN . 1 1 15 15 ARG H H 1 . . 1 1 15 15 ARG N N 15 . -2.5 . . 0.2 . . . . . . . . . . . 7386 1 15 1DHNN . 1 1 16 16 ARG H H 1 . . 1 1 16 16 ARG N N 15 . 0.3 . . 0.2 . . . . . . . . . . . 7386 1 16 1DHNN . 1 1 17 17 GLN H H 1 . . 1 1 17 17 GLN N N 15 . 0.2 . . 0.2 . . . . . . . . . . . 7386 1 17 1DHNN . 1 1 18 18 GLN H H 1 . . 1 1 18 18 GLN N N 15 . -1.8 . . 0.2 . . . . . . . . . . . 7386 1 18 1DHNN . 1 1 19 19 LEU H H 1 . . 1 1 19 19 LEU N N 15 . 1.0 . . 0.2 . . . . . . . . . . . 7386 1 19 1DHNN . 1 1 20 20 SER H H 1 . . 1 1 20 20 SER N N 15 . 2.7 . . 0.2 . . . . . . . . . . . 7386 1 20 1DHNN . 1 1 21 21 SER H H 1 . . 1 1 21 21 SER N N 15 . 0.3 . . 0.2 . . . . . . . . . . . 7386 1 21 1DHNN . 1 1 22 22 GLU H H 1 . . 1 1 22 22 GLU N N 15 . 0.1 . . 0.2 . . . . . . . . . . . 7386 1 22 1DHNN . 1 1 23 23 LEU H H 1 . . 1 1 23 23 LEU N N 15 . 2.4 . . 0.2 . . . . . . . . . . . 7386 1 23 1DHNN . 1 1 24 24 GLY H H 1 . . 1 1 24 24 GLY N N 15 . 3.1 . . 0.2 . . . . . . . . . . . 7386 1 24 1DHNN . 1 1 25 25 LEU H H 1 . . 1 1 25 25 LEU N N 15 . 1.3 . . 0.2 . . . . . . . . . . . 7386 1 25 1DHNN . 1 1 26 26 ASN H H 1 . . 1 1 26 26 ASN N N 15 . 3.2 . . 0.2 . . . . . . . . . . . 7386 1 26 1DHNN . 1 1 27 27 GLU H H 1 . . 1 1 27 27 GLU N N 15 . -8.6 . . 0.2 . . . . . . . . . . . 7386 1 27 1DHNN . 1 1 28 28 ALA H H 1 . . 1 1 28 28 ALA N N 15 . -7.9 . . 0.2 . . . . . . . . . . . 7386 1 28 1DHNN . 1 1 29 29 GLN H H 1 . . 1 1 29 29 GLN N N 15 . -10.8 . . 0.2 . . . . . . . . . . . 7386 1 29 1DHNN . 1 1 30 30 ILE H H 1 . . 1 1 30 30 ILE N N 15 . -8.7 . . 0.2 . . . . . . . . . . . 7386 1 30 1DHNN . 1 1 31 31 LYS H H 1 . . 1 1 31 31 LYS N N 15 . -7.2 . . 0.2 . . . . . . . . . . . 7386 1 31 1DHNN . 1 1 32 32 ILE H H 1 . . 1 1 32 32 ILE N N 15 . -8.5 . . 0.2 . . . . . . . . . . . 7386 1 32 1DHNN . 1 1 33 33 TRP H H 1 . . 1 1 33 33 TRP N N 15 . -11.4 . . 0.2 . . . . . . . . . . . 7386 1 33 1DHNN . 1 1 34 34 PHE H H 1 . . 1 1 34 34 PHE N N 15 . -9.5 . . 0.2 . . . . . . . . . . . 7386 1 34 1DHNN . 1 1 35 35 GLN H H 1 . . 1 1 35 35 GLN N N 15 . -7.4 . . 0.2 . . . . . . . . . . . 7386 1 35 1DHNN . 1 1 36 36 ASN H H 1 . . 1 1 36 36 ASN N N 15 . -8.1 . . 0.2 . . . . . . . . . . . 7386 1 36 1DHNN . 1 1 37 37 LYS H H 1 . . 1 1 37 37 LYS N N 15 . -5.3 . . 0.2 . . . . . . . . . . . 7386 1 37 1DHNN . 1 1 38 38 ARG H H 1 . . 1 1 38 38 ARG N N 15 . -1.4 . . 0.2 . . . . . . . . . . . 7386 1 38 1DHNN . 1 1 39 39 ALA H H 1 . . 1 1 39 39 ALA N N 15 . -1.3 . . 0.2 . . . . . . . . . . . 7386 1 39 1DHNN . 1 1 40 40 LYS H H 1 . . 1 1 40 40 LYS N N 15 . 1.8 . . 0.2 . . . . . . . . . . . 7386 1 40 1DHNN . 1 1 41 41 ILE H H 1 . . 1 1 41 41 ILE N N 15 . 3.0 . . 0.2 . . . . . . . . . . . 7386 1 41 1DHNN . 1 1 42 42 LYS H H 1 . . 1 1 42 42 LYS N N 15 . 5.6 . . 0.2 . . . . . . . . . . . 7386 1 42 1DHNN . 1 1 43 43 LYS H H 1 . . 1 1 43 43 LYS N N 15 . 6.7 . . 0.2 . . . . . . . . . . . 7386 1 43 1DHNN . 1 1 44 44 SER H H 1 . . 1 1 44 44 SER N N 15 . 3.2 . . 0.2 . . . . . . . . . . . 7386 1 stop_ save_