data_7205 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7205 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for Transmembrane Segment of ErbB4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-07-03 _Entry.Accession_date 2006-07-03 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Konstantin Mineev . S. . 7205 2 Eduard Bocharov . V. . 7205 3 Innokenty Maslennikov . V. . 7205 4 Marina Goncharuk . V. . 7205 5 Alexander Arseniev . S. . 7205 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'IBCh RAS' . 7205 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7205 coupling_constants 1 7205 heteronucl_T1_relaxation 1 7205 heteronucl_T2_relaxation 1 7205 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 179 7205 '15N chemical shifts' 40 7205 '1H chemical shifts' 316 7205 'coupling constants' 37 7205 'T1 relaxation values' 36 7205 'T2 relaxation values' 34 7205 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 . . 2008-07-16 2006-07-03 update BMRB 'complete entry citation' 7205 1 . . 2007-01-09 2006-07-03 original author 'original release' 7205 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LCX 'BMRB Entry Tracking System' 7205 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7205 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18178548 _Citation.Full_citation . _Citation.Title 'Spatial structure of the dimeric transmembrane domain of the growth factor receptor ErbB2 presumably corresponding to the receptor active state' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 283 _Citation.Journal_issue 11 _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 6950 _Citation.Page_last 6956 _Citation.Year 2008 _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 Eduard Bocharov . V. . 7205 1 2 Konstantin Mineev . S. . 7205 1 3 Pavel Volynsky . E. . 7205 1 4 Y. Ermolyuk . S. . 7205 1 5 E. Tkach . N. . 7205 1 6 A. Sobol . G. . 7205 1 7 V. Chupin . V. . 7205 1 8 M. Kirpichnikov . P. . 7205 1 9 R. Efremov . G. . 7205 1 10 Alexander Arseniev . S. . 7205 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID dimer 7205 1 ErbB4 7205 1 human 7205 1 kinase 7205 1 protein 7205 1 transmembrane 7205 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7205 _Assembly.ID 1 _Assembly.Name 'ErbB4 TM dimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 4760 _Assembly.Enzyme_commission_number . _Assembly.Details 'ErbB4 transmembrane segment dimer' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein-protein complex' 7205 1 stop_ 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 'ErbB4 TM, chain 1' 1 $ErbB4_kinase_transmembrane_peptide . . yes 'folded in the model system' no no 1 . . 7205 1 2 'ErbB4 TM, chain 2' 2 $ErbB4_kinase_transmembrane_peptide . . yes 'folded in the model system' no no 1 . . 7205 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ErbB4_kinase_transmembrane_peptide _Entity.Sf_category entity _Entity.Sf_framecode ErbB4_kinase_transmembrane_peptide _Entity.Entry_ID 7205 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'ErbB4 TM' _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 ; STLPQHARTPLIAAGVIGGL FILVIVGLTFAVYVRRKSIK KKRA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4760 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 642 SER . 7205 1 2 643 THR . 7205 1 3 644 LEU . 7205 1 4 645 PRO . 7205 1 5 646 GLN . 7205 1 6 647 HIS . 7205 1 7 648 ALA . 7205 1 8 649 ARG . 7205 1 9 650 THR . 7205 1 10 651 PRO . 7205 1 11 652 LEU . 7205 1 12 653 ILE . 7205 1 13 654 ALA . 7205 1 14 655 ALA . 7205 1 15 656 GLY . 7205 1 16 657 VAL . 7205 1 17 658 ILE . 7205 1 18 659 GLY . 7205 1 19 660 GLY . 7205 1 20 661 LEU . 7205 1 21 662 PHE . 7205 1 22 663 ILE . 7205 1 23 664 LEU . 7205 1 24 665 VAL . 7205 1 25 666 ILE . 7205 1 26 667 VAL . 7205 1 27 668 GLY . 7205 1 28 669 LEU . 7205 1 29 670 THR . 7205 1 30 671 PHE . 7205 1 31 672 ALA . 7205 1 32 673 VAL . 7205 1 33 674 TYR . 7205 1 34 675 VAL . 7205 1 35 676 ARG . 7205 1 36 677 ARG . 7205 1 37 678 LYS . 7205 1 38 679 SER . 7205 1 39 680 ILE . 7205 1 40 681 LYS . 7205 1 41 682 LYS . 7205 1 42 683 LYS . 7205 1 43 684 ARG . 7205 1 44 685 ALA . 7205 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 . SER 1 1 7205 1 . THR 2 2 7205 1 . LEU 3 3 7205 1 . PRO 4 4 7205 1 . GLN 5 5 7205 1 . HIS 6 6 7205 1 . ALA 7 7 7205 1 . ARG 8 8 7205 1 . THR 9 9 7205 1 . PRO 10 10 7205 1 . LEU 11 11 7205 1 . ILE 12 12 7205 1 . ALA 13 13 7205 1 . ALA 14 14 7205 1 . GLY 15 15 7205 1 . VAL 16 16 7205 1 . ILE 17 17 7205 1 . GLY 18 18 7205 1 . GLY 19 19 7205 1 . LEU 20 20 7205 1 . PHE 21 21 7205 1 . ILE 22 22 7205 1 . LEU 23 23 7205 1 . VAL 24 24 7205 1 . ILE 25 25 7205 1 . VAL 26 26 7205 1 . GLY 27 27 7205 1 . LEU 28 28 7205 1 . THR 29 29 7205 1 . PHE 30 30 7205 1 . ALA 31 31 7205 1 . VAL 32 32 7205 1 . TYR 33 33 7205 1 . VAL 34 34 7205 1 . ARG 35 35 7205 1 . ARG 36 36 7205 1 . LYS 37 37 7205 1 . SER 38 38 7205 1 . ILE 39 39 7205 1 . LYS 40 40 7205 1 . LYS 41 41 7205 1 . LYS 42 42 7205 1 . ARG 43 43 7205 1 . ALA 44 44 7205 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 7205 _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 $ErbB4_kinase_transmembrane_peptide . 9606 . no . Human . . Eukaryota Metazoa Homo spaiens . . . . . . . . . . . . . . . . . . . . . 7205 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 7205 _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 $ErbB4_kinase_transmembrane_peptide . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 7205 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7205 _Sample.ID 1 _Sample.Type bicelle _Sample.Sub_type . _Sample.Details ; DMPC:10 DHPC:40 ErbB4TM15N: 1.2 ; _Sample.Aggregate_sample_number 4 _Sample.Solvent_system . _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 'ErbB4 TM' [U-15N] . . 1 $ErbB4_kinase_transmembrane_peptide . . 2.4 . . mM 0.3 . . . 7205 1 2 DMPC [U-2H] . . . . . . 19 . . mM 1 . . . 7205 1 3 DHPC [U-2H] . . . . . . 77 . . mM 1 . . . 7205 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7205 _Sample.ID 2 _Sample.Type bicelle _Sample.Sub_type . _Sample.Details ; DMPC:10 DHPC:40 ErbB4TM15N13C: 1.2 ; _Sample.Aggregate_sample_number 4 _Sample.Solvent_system . _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 'ErbB4 TM' '[U-15N; U-13C]' . . 1 $ErbB4_kinase_transmembrane_peptide . . 2.4 . . mM 0.3 . . . 7205 2 2 DMPC [U-2H] . . . . . . 19 . . mM 1 . . . 7205 2 3 DHPC [U-2H] . . . . . . 77 . . mM 1 . . . 7205 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 7205 _Sample.ID 3 _Sample.Type bicelle _Sample.Sub_type . _Sample.Details ; DMPC:10 DHPC:40 ErbB4TM: 0.6 ErbB4TM2labeled: 0.6 ; _Sample.Aggregate_sample_number 4 _Sample.Solvent_system . _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 'ErbB4 TM' '[U-15N; U-13C]' . . 1 $ErbB4_kinase_transmembrane_peptide . . 0.6 . . mM 0.3 . . . 7205 3 2 DMPC [U-2H] . . . . . . 19 . . mM 1 . . . 7205 3 3 DHPC [U-2H] . . . . . . 77 . . mM 1 . . . 7205 3 4 'ErbB4 TM' none . . 1 $ErbB4_kinase_transmembrane_peptide . . 0.6 . . mM 0.3 . . . 7205 3 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7205 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; T=40 pH=5.0 ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.0 0.1 pH 7205 1 temperature 313 0.5 K 7205 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 7205 _Software.ID 1 _Software.Name VNMR _Software.Version . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 7205 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7205 _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 '1H15N HSQC' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7205 1 2 '1H13C HSQC' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7205 1 3 HCcH-TOCSY no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7205 1 4 '3D 13C-ali NOESY' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7205 1 5 '3D 15N-NOESY' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7205 1 6 '3D 15N-TOCSY' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7205 1 7 HNCA no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7205 1 8 HN(CO)CA no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7205 1 9 HNCO no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7205 1 10 HNHA no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7205 1 11 HNHB no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7205 1 12 '2D NC-chirp-NOESY' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7205 1 13 '3D C-chirp-NOESY' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7205 1 stop_ save_ save_1H15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC _NMR_spec_expt.Entry_ID 7205 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_1H13C_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H13C_HSQC _NMR_spec_expt.Entry_ID 7205 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HCcH-TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCcH-TOCSY _NMR_spec_expt.Entry_ID 7205 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HCcH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_13C-ali_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-ali_NOESY _NMR_spec_expt.Entry_ID 7205 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D 13C-ali NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_15N-NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-NOESY _NMR_spec_expt.Entry_ID 7205 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D 15N-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_15N-TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-TOCSY _NMR_spec_expt.Entry_ID 7205 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D 15N-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCA _NMR_spec_expt.Entry_ID 7205 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HN(CO)CA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HN(CO)CA _NMR_spec_expt.Entry_ID 7205 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCO _NMR_spec_expt.Entry_ID 7205 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNHA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNHA _NMR_spec_expt.Entry_ID 7205 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNHB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNHB _NMR_spec_expt.Entry_ID 7205 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HNHB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_2D_NC-chirp-NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_NC-chirp-NOESY _NMR_spec_expt.Entry_ID 7205 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '2D NC-chirp-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_C-chirp-NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_C-chirp-NOESY _NMR_spec_expt.Entry_ID 7205 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '3D C-chirp-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7205 _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 water protons . . . . ppm 4.65 indirect indirect 0.251449530 . . . . . . . . . 7205 1 H 1 water protons . . . . ppm 4.65 direct direct 1.0 . . . . . . . . . 7205 1 N 15 water protons . . . . ppm 4.65 indirect indirect 0.101329118 . . . . . . . . . 7205 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7205 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 $sample_1 isotropic 7205 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 7205 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 SER HA H 1 4.261 0.020 . 1 . . . . 642 SER HA . 7205 1 2 . 1 1 1 1 SER HB2 H 1 4.014 0.020 . 1 . . . . 642 SER HB2 . 7205 1 3 . 1 1 1 1 SER HB3 H 1 4.014 0.020 . 1 . . . . 642 SER HB3 . 7205 1 4 . 1 1 1 1 SER CA C 13 57.295 0.400 . 1 . . . . 642 SER CA . 7205 1 5 . 1 1 1 1 SER CB C 13 62.986 0.400 . 1 . . . . 642 SER CB . 7205 1 6 . 1 1 2 2 THR HA H 1 4.415 0.020 . 1 . . . . 643 THR HA . 7205 1 7 . 1 1 2 2 THR HB H 1 4.183 0.020 . 1 . . . . 643 THR HB . 7205 1 8 . 1 1 2 2 THR HG21 H 1 1.222 0.020 . 1 . . . . 643 THR HG2 . 7205 1 9 . 1 1 2 2 THR HG22 H 1 1.222 0.020 . 1 . . . . 643 THR HG2 . 7205 1 10 . 1 1 2 2 THR HG23 H 1 1.222 0.020 . 1 . . . . 643 THR HG2 . 7205 1 11 . 1 1 2 2 THR C C 13 174.850 0.400 . 1 . . . . 643 THR C . 7205 1 12 . 1 1 2 2 THR CA C 13 61.822 0.400 . 1 . . . . 643 THR CA . 7205 1 13 . 1 1 2 2 THR CB C 13 69.665 0.400 . 1 . . . . 643 THR CB . 7205 1 14 . 1 1 2 2 THR CG2 C 13 21.495 0.400 . 1 . . . . 643 THR CG2 . 7205 1 15 . 1 1 3 3 LEU H H 1 8.335 0.020 . 1 . . . . 644 LEU H . 7205 1 16 . 1 1 3 3 LEU HA H 1 4.626 0.020 . 1 . . . . 644 LEU HA . 7205 1 17 . 1 1 3 3 LEU HB3 H 1 1.583 0.020 . 2 . . . . 644 LEU HB3 . 7205 1 18 . 1 1 3 3 LEU HG H 1 1.683 0.020 . 1 . . . . 644 LEU HG . 7205 1 19 . 1 1 3 3 LEU HD11 H 1 0.938 0.020 . 2 . . . . 644 LEU HD1 . 7205 1 20 . 1 1 3 3 LEU HD12 H 1 0.938 0.020 . 2 . . . . 644 LEU HD1 . 7205 1 21 . 1 1 3 3 LEU HD13 H 1 0.938 0.020 . 2 . . . . 644 LEU HD1 . 7205 1 22 . 1 1 3 3 LEU HD21 H 1 0.938 0.020 . 2 . . . . 644 LEU HD2 . 7205 1 23 . 1 1 3 3 LEU HD22 H 1 0.938 0.020 . 2 . . . . 644 LEU HD2 . 7205 1 24 . 1 1 3 3 LEU HD23 H 1 0.938 0.020 . 2 . . . . 644 LEU HD2 . 7205 1 25 . 1 1 3 3 LEU CA C 13 52.976 0.400 . 1 . . . . 644 LEU CA . 7205 1 26 . 1 1 3 3 LEU CB C 13 41.869 0.400 . 1 . . . . 644 LEU CB . 7205 1 27 . 1 1 3 3 LEU CG C 13 26.980 0.400 . 1 . . . . 644 LEU CG . 7205 1 28 . 1 1 3 3 LEU CD1 C 13 25.084 0.400 . 1 . . . . 644 LEU CD1 . 7205 1 29 . 1 1 3 3 LEU N N 15 125.386 0.400 . 1 . . . . 644 LEU N . 7205 1 30 . 1 1 4 4 PRO HA H 1 4.441 0.020 . 1 . . . . 645 PRO HA . 7205 1 31 . 1 1 4 4 PRO HB2 H 1 1.843 0.020 . 2 . . . . 645 PRO HB2 . 7205 1 32 . 1 1 4 4 PRO HB3 H 1 2.359 0.020 . 2 . . . . 645 PRO HB3 . 7205 1 33 . 1 1 4 4 PRO HG2 H 1 2.036 0.020 . 1 . . . . 645 PRO HG2 . 7205 1 34 . 1 1 4 4 PRO HG3 H 1 2.036 0.020 . 1 . . . . 645 PRO HG3 . 7205 1 35 . 1 1 4 4 PRO HD2 H 1 3.910 0.020 . 2 . . . . 645 PRO HD2 . 7205 1 36 . 1 1 4 4 PRO HD3 H 1 3.602 0.020 . 2 . . . . 645 PRO HD3 . 7205 1 37 . 1 1 4 4 PRO C C 13 177.834 0.400 . 1 . . . . 645 PRO C . 7205 1 38 . 1 1 4 4 PRO CA C 13 62.853 0.400 . 1 . . . . 645 PRO CA . 7205 1 39 . 1 1 4 4 PRO CB C 13 32.107 0.400 . 1 . . . . 645 PRO CB . 7205 1 40 . 1 1 4 4 PRO CG C 13 27.276 0.400 . 1 . . . . 645 PRO CG . 7205 1 41 . 1 1 4 4 PRO CD C 13 50.366 0.400 . 1 . . . . 645 PRO CD . 7205 1 42 . 1 1 5 5 GLN H H 1 8.461 0.020 . 1 . . . . 646 GLN H . 7205 1 43 . 1 1 5 5 GLN HA H 1 4.178 0.020 . 1 . . . . 646 GLN HA . 7205 1 44 . 1 1 5 5 GLN HB2 H 1 2.368 0.020 . 1 . . . . 646 GLN HB2 . 7205 1 45 . 1 1 5 5 GLN HB3 H 1 2.368 0.020 . 1 . . . . 646 GLN HB3 . 7205 1 46 . 1 1 5 5 GLN HG2 H 1 2.018 0.020 . 1 . . . . 646 GLN HG2 . 7205 1 47 . 1 1 5 5 GLN HG3 H 1 2.018 0.020 . 1 . . . . 646 GLN HG3 . 7205 1 48 . 1 1 5 5 GLN C C 13 177.408 0.400 . 1 . . . . 646 GLN C . 7205 1 49 . 1 1 5 5 GLN CA C 13 56.480 0.400 . 1 . . . . 646 GLN CA . 7205 1 50 . 1 1 5 5 GLN CB C 13 33.586 0.400 . 1 . . . . 646 GLN CB . 7205 1 51 . 1 1 5 5 GLN CG C 13 29.222 0.400 . 1 . . . . 646 GLN CG . 7205 1 52 . 1 1 5 5 GLN N N 15 120.459 0.400 . 1 . . . . 646 GLN N . 7205 1 53 . 1 1 6 6 HIS H H 1 8.438 0.020 . 1 . . . . 647 HIS H . 7205 1 54 . 1 1 6 6 HIS HA H 1 4.722 0.020 . 1 . . . . 647 HIS HA . 7205 1 55 . 1 1 6 6 HIS HB2 H 1 3.317 0.020 . 2 . . . . 647 HIS HB2 . 7205 1 56 . 1 1 6 6 HIS HB3 H 1 3.236 0.020 . 2 . . . . 647 HIS HB3 . 7205 1 57 . 1 1 6 6 HIS C C 13 175.175 0.400 . 1 . . . . 647 HIS C . 7205 1 58 . 1 1 6 6 HIS CA C 13 55.204 0.400 . 1 . . . . 647 HIS CA . 7205 1 59 . 1 1 6 6 HIS CB C 13 28.956 0.400 . 1 . . . . 647 HIS CB . 7205 1 60 . 1 1 6 6 HIS N N 15 117.278 0.400 . 1 . . . . 647 HIS N . 7205 1 61 . 1 1 7 7 ALA H H 1 8.184 0.020 . 1 . . . . 648 ALA H . 7205 1 62 . 1 1 7 7 ALA HA H 1 4.383 0.020 . 1 . . . . 648 ALA HA . 7205 1 63 . 1 1 7 7 ALA HB1 H 1 1.429 0.020 . 1 . . . . 648 ALA HB . 7205 1 64 . 1 1 7 7 ALA HB2 H 1 1.429 0.020 . 1 . . . . 648 ALA HB . 7205 1 65 . 1 1 7 7 ALA HB3 H 1 1.429 0.020 . 1 . . . . 648 ALA HB . 7205 1 66 . 1 1 7 7 ALA C C 13 178.180 0.400 . 1 . . . . 648 ALA C . 7205 1 67 . 1 1 7 7 ALA CA C 13 52.315 0.400 . 1 . . . . 648 ALA CA . 7205 1 68 . 1 1 7 7 ALA CB C 13 19.386 0.400 . 1 . . . . 648 ALA CB . 7205 1 69 . 1 1 7 7 ALA N N 15 123.317 0.400 . 1 . . . . 648 ALA N . 7205 1 70 . 1 1 8 8 ARG H H 1 8.281 0.020 . 1 . . . . 649 ARG H . 7205 1 71 . 1 1 8 8 ARG HA H 1 4.326 0.020 . 1 . . . . 649 ARG HA . 7205 1 72 . 1 1 8 8 ARG HB2 H 1 1.935 0.020 . 1 . . . . 649 ARG HB2 . 7205 1 73 . 1 1 8 8 ARG HB3 H 1 1.935 0.020 . 1 . . . . 649 ARG HB3 . 7205 1 74 . 1 1 8 8 ARG HG2 H 1 1.757 0.020 . 2 . . . . 649 ARG HG2 . 7205 1 75 . 1 1 8 8 ARG HG3 H 1 1.669 0.020 . 2 . . . . 649 ARG HG3 . 7205 1 76 . 1 1 8 8 ARG HD2 H 1 3.266 0.020 . 1 . . . . 649 ARG HD2 . 7205 1 77 . 1 1 8 8 ARG HD3 H 1 3.266 0.020 . 1 . . . . 649 ARG HD3 . 7205 1 78 . 1 1 8 8 ARG C C 13 177.611 0.400 . 1 . . . . 649 ARG C . 7205 1 79 . 1 1 8 8 ARG CA C 13 57.190 0.400 . 1 . . . . 649 ARG CA . 7205 1 80 . 1 1 8 8 ARG CB C 13 30.737 0.400 . 1 . . . . 649 ARG CB . 7205 1 81 . 1 1 8 8 ARG CG C 13 27.133 0.400 . 1 . . . . 649 ARG CG . 7205 1 82 . 1 1 8 8 ARG N N 15 118.844 0.400 . 1 . . . . 649 ARG N . 7205 1 83 . 1 1 9 9 THR H H 1 8.239 0.020 . 1 . . . . 650 THR H . 7205 1 84 . 1 1 9 9 THR HA H 1 4.259 0.020 . 1 . . . . 650 THR HA . 7205 1 85 . 1 1 9 9 THR HB H 1 4.367 0.020 . 1 . . . . 650 THR HB . 7205 1 86 . 1 1 9 9 THR HG21 H 1 1.284 0.020 . 1 . . . . 650 THR HG2 . 7205 1 87 . 1 1 9 9 THR HG22 H 1 1.284 0.020 . 1 . . . . 650 THR HG2 . 7205 1 88 . 1 1 9 9 THR HG23 H 1 1.284 0.020 . 1 . . . . 650 THR HG2 . 7205 1 89 . 1 1 9 9 THR CA C 13 65.530 0.400 . 1 . . . . 650 THR CA . 7205 1 90 . 1 1 9 9 THR CB C 13 67.356 0.400 . 1 . . . . 650 THR CB . 7205 1 91 . 1 1 9 9 THR CG2 C 13 22.412 0.400 . 1 . . . . 650 THR CG2 . 7205 1 92 . 1 1 9 9 THR N N 15 115.800 0.400 . 1 . . . . 650 THR N . 7205 1 93 . 1 1 10 10 PRO HA H 1 4.358 0.020 . 1 . . . . 651 PRO HA . 7205 1 94 . 1 1 10 10 PRO HB2 H 1 2.321 0.020 . 2 . . . . 651 PRO HB2 . 7205 1 95 . 1 1 10 10 PRO HB3 H 1 2.152 0.020 . 2 . . . . 651 PRO HB3 . 7205 1 96 . 1 1 10 10 PRO HG2 H 1 2.028 0.020 . 2 . . . . 651 PRO HG2 . 7205 1 97 . 1 1 10 10 PRO HG3 H 1 1.889 0.020 . 2 . . . . 651 PRO HG3 . 7205 1 98 . 1 1 10 10 PRO HD2 H 1 3.775 0.020 . 1 . . . . 651 PRO HD2 . 7205 1 99 . 1 1 10 10 PRO HD3 H 1 3.775 0.020 . 1 . . . . 651 PRO HD3 . 7205 1 100 . 1 1 10 10 PRO CA C 13 65.099 0.400 . 1 . . . . 651 PRO CA . 7205 1 101 . 1 1 10 10 PRO CD C 13 50.218 0.400 . 1 . . . . 651 PRO CD . 7205 1 102 . 1 1 11 11 LEU H H 1 7.597 0.020 . 1 . . . . 652 LEU H . 7205 1 103 . 1 1 11 11 LEU HA H 1 4.118 0.020 . 1 . . . . 652 LEU HA . 7205 1 104 . 1 1 11 11 LEU N N 15 117.060 0.400 . 1 . . . . 652 LEU N . 7205 1 105 . 1 1 12 12 ILE H H 1 7.926 0.020 . 1 . . . . 653 ILE H . 7205 1 106 . 1 1 12 12 ILE HA H 1 3.742 0.020 . 1 . . . . 653 ILE HA . 7205 1 107 . 1 1 12 12 ILE HB H 1 2.062 0.020 . 1 . . . . 653 ILE HB . 7205 1 108 . 1 1 12 12 ILE HG12 H 1 1.714 0.020 . 2 . . . . 653 ILE HG12 . 7205 1 109 . 1 1 12 12 ILE HG13 H 1 1.117 0.020 . 2 . . . . 653 ILE HG13 . 7205 1 110 . 1 1 12 12 ILE HG21 H 1 0.906 0.020 . 1 . . . . 653 ILE HG2 . 7205 1 111 . 1 1 12 12 ILE HG22 H 1 0.906 0.020 . 1 . . . . 653 ILE HG2 . 7205 1 112 . 1 1 12 12 ILE HG23 H 1 0.906 0.020 . 1 . . . . 653 ILE HG2 . 7205 1 113 . 1 1 12 12 ILE HD11 H 1 0.906 0.020 . 1 . . . . 653 ILE HD1 . 7205 1 114 . 1 1 12 12 ILE HD12 H 1 0.906 0.020 . 1 . . . . 653 ILE HD1 . 7205 1 115 . 1 1 12 12 ILE HD13 H 1 0.906 0.020 . 1 . . . . 653 ILE HD1 . 7205 1 116 . 1 1 12 12 ILE CA C 13 64.448 0.400 . 1 . . . . 653 ILE CA . 7205 1 117 . 1 1 12 12 ILE CB C 13 37.539 0.400 . 1 . . . . 653 ILE CB . 7205 1 118 . 1 1 12 12 ILE CG1 C 13 28.825 0.400 . 1 . . . . 653 ILE CG1 . 7205 1 119 . 1 1 12 12 ILE CG2 C 13 17.614 0.400 . 1 . . . . 653 ILE CG2 . 7205 1 120 . 1 1 12 12 ILE CD1 C 13 13.045 0.400 . 1 . . . . 653 ILE CD1 . 7205 1 121 . 1 1 12 12 ILE N N 15 118.314 0.400 . 1 . . . . 653 ILE N . 7205 1 122 . 1 1 13 13 ALA H H 1 8.328 0.020 . 1 . . . . 654 ALA H . 7205 1 123 . 1 1 13 13 ALA HA H 1 3.956 0.020 . 1 . . . . 654 ALA HA . 7205 1 124 . 1 1 13 13 ALA HB1 H 1 1.481 0.020 . 1 . . . . 654 ALA HB . 7205 1 125 . 1 1 13 13 ALA HB2 H 1 1.481 0.020 . 1 . . . . 654 ALA HB . 7205 1 126 . 1 1 13 13 ALA HB3 H 1 1.481 0.020 . 1 . . . . 654 ALA HB . 7205 1 127 . 1 1 13 13 ALA C C 13 179.601 0.400 . 1 . . . . 654 ALA C . 7205 1 128 . 1 1 13 13 ALA CA C 13 55.224 0.400 . 1 . . . . 654 ALA CA . 7205 1 129 . 1 1 13 13 ALA CB C 13 18.148 0.400 . 1 . . . . 654 ALA CB . 7205 1 130 . 1 1 13 13 ALA N N 15 120.863 0.400 . 1 . . . . 654 ALA N . 7205 1 131 . 1 1 14 14 ALA H H 1 8.253 0.020 . 1 . . . . 655 ALA H . 7205 1 132 . 1 1 14 14 ALA HA H 1 3.973 0.020 . 1 . . . . 655 ALA HA . 7205 1 133 . 1 1 14 14 ALA HB1 H 1 1.508 0.020 . 1 . . . . 655 ALA HB . 7205 1 134 . 1 1 14 14 ALA HB2 H 1 1.508 0.020 . 1 . . . . 655 ALA HB . 7205 1 135 . 1 1 14 14 ALA HB3 H 1 1.508 0.020 . 1 . . . . 655 ALA HB . 7205 1 136 . 1 1 14 14 ALA C C 13 180.250 0.400 . 1 . . . . 655 ALA C . 7205 1 137 . 1 1 14 14 ALA CA C 13 54.997 0.400 . 1 . . . . 655 ALA CA . 7205 1 138 . 1 1 14 14 ALA CB C 13 18.402 0.400 . 1 . . . . 655 ALA CB . 7205 1 139 . 1 1 14 14 ALA N N 15 118.392 0.400 . 1 . . . . 655 ALA N . 7205 1 140 . 1 1 15 15 GLY H H 1 8.377 0.020 . 1 . . . . 656 GLY H . 7205 1 141 . 1 1 15 15 GLY HA2 H 1 3.632 0.020 . 2 . . . . 656 GLY HA2 . 7205 1 142 . 1 1 15 15 GLY HA3 H 1 3.761 0.020 . 2 . . . . 656 GLY HA3 . 7205 1 143 . 1 1 15 15 GLY C C 13 175.784 0.400 . 1 . . . . 656 GLY C . 7205 1 144 . 1 1 15 15 GLY CA C 13 46.904 0.400 . 1 . . . . 656 GLY CA . 7205 1 145 . 1 1 15 15 GLY N N 15 104.974 0.400 . 1 . . . . 656 GLY N . 7205 1 146 . 1 1 16 16 VAL H H 1 8.404 0.020 . 1 . . . . 657 VAL H . 7205 1 147 . 1 1 16 16 VAL HA H 1 3.646 0.020 . 1 . . . . 657 VAL HA . 7205 1 148 . 1 1 16 16 VAL HB H 1 2.248 0.020 . 1 . . . . 657 VAL HB . 7205 1 149 . 1 1 16 16 VAL HG11 H 1 1.064 0.020 . 2 . . . . 657 VAL HG1 . 7205 1 150 . 1 1 16 16 VAL HG12 H 1 1.064 0.020 . 2 . . . . 657 VAL HG1 . 7205 1 151 . 1 1 16 16 VAL HG13 H 1 1.064 0.020 . 2 . . . . 657 VAL HG1 . 7205 1 152 . 1 1 16 16 VAL HG21 H 1 0.888 0.020 . 2 . . . . 657 VAL HG2 . 7205 1 153 . 1 1 16 16 VAL HG22 H 1 0.888 0.020 . 2 . . . . 657 VAL HG2 . 7205 1 154 . 1 1 16 16 VAL HG23 H 1 0.888 0.020 . 2 . . . . 657 VAL HG2 . 7205 1 155 . 1 1 16 16 VAL C C 13 178.139 0.400 . 1 . . . . 657 VAL C . 7205 1 156 . 1 1 16 16 VAL CA C 13 66.594 0.400 . 1 . . . . 657 VAL CA . 7205 1 157 . 1 1 16 16 VAL CB C 13 31.471 0.400 . 1 . . . . 657 VAL CB . 7205 1 158 . 1 1 16 16 VAL CG1 C 13 23.349 0.400 . 1 . . . . 657 VAL CG1 . 7205 1 159 . 1 1 16 16 VAL CG2 C 13 21.611 0.400 . 1 . . . . 657 VAL CG2 . 7205 1 160 . 1 1 16 16 VAL N N 15 120.863 0.400 . 1 . . . . 657 VAL N . 7205 1 161 . 1 1 17 17 ILE H H 1 8.326 0.020 . 1 . . . . 658 ILE H . 7205 1 162 . 1 1 17 17 ILE HA H 1 3.648 0.020 . 1 . . . . 658 ILE HA . 7205 1 163 . 1 1 17 17 ILE HB H 1 1.977 0.020 . 1 . . . . 658 ILE HB . 7205 1 164 . 1 1 17 17 ILE HG12 H 1 1.754 0.020 . 2 . . . . 658 ILE HG12 . 7205 1 165 . 1 1 17 17 ILE HG13 H 1 1.130 0.020 . 2 . . . . 658 ILE HG13 . 7205 1 166 . 1 1 17 17 ILE HG21 H 1 0.847 0.020 . 1 . . . . 658 ILE HG2 . 7205 1 167 . 1 1 17 17 ILE HG22 H 1 0.847 0.020 . 1 . . . . 658 ILE HG2 . 7205 1 168 . 1 1 17 17 ILE HG23 H 1 0.847 0.020 . 1 . . . . 658 ILE HG2 . 7205 1 169 . 1 1 17 17 ILE HD11 H 1 0.815 0.020 . 1 . . . . 658 ILE HD1 . 7205 1 170 . 1 1 17 17 ILE HD12 H 1 0.815 0.020 . 1 . . . . 658 ILE HD1 . 7205 1 171 . 1 1 17 17 ILE HD13 H 1 0.815 0.020 . 1 . . . . 658 ILE HD1 . 7205 1 172 . 1 1 17 17 ILE C C 13 178.657 0.400 . 1 . . . . 658 ILE C . 7205 1 173 . 1 1 17 17 ILE CA C 13 64.868 0.400 . 1 . . . . 658 ILE CA . 7205 1 174 . 1 1 17 17 ILE CB C 13 37.174 0.400 . 1 . . . . 658 ILE CB . 7205 1 175 . 1 1 17 17 ILE CG1 C 13 29.349 0.400 . 1 . . . . 658 ILE CG1 . 7205 1 176 . 1 1 17 17 ILE CG2 C 13 17.664 0.400 . 1 . . . . 658 ILE CG2 . 7205 1 177 . 1 1 17 17 ILE CD1 C 13 12.445 0.400 . 1 . . . . 658 ILE CD1 . 7205 1 178 . 1 1 17 17 ILE N N 15 118.502 0.400 . 1 . . . . 658 ILE N . 7205 1 179 . 1 1 18 18 GLY H H 1 8.751 0.020 . 1 . . . . 659 GLY H . 7205 1 180 . 1 1 18 18 GLY HA2 H 1 3.652 0.020 . 2 . . . . 659 GLY HA2 . 7205 1 181 . 1 1 18 18 GLY HA3 H 1 3.747 0.020 . 2 . . . . 659 GLY HA3 . 7205 1 182 . 1 1 18 18 GLY C C 13 176.088 0.400 . 1 . . . . 659 GLY C . 7205 1 183 . 1 1 18 18 GLY CA C 13 47.430 0.400 . 1 . . . . 659 GLY CA . 7205 1 184 . 1 1 18 18 GLY N N 15 106.825 0.400 . 1 . . . . 659 GLY N . 7205 1 185 . 1 1 19 19 GLY H H 1 8.532 0.020 . 1 . . . . 660 GLY H . 7205 1 186 . 1 1 19 19 GLY HA2 H 1 3.668 0.020 . 1 . . . . 660 GLY HA2 . 7205 1 187 . 1 1 19 19 GLY HA3 H 1 3.668 0.020 . 1 . . . . 660 GLY HA3 . 7205 1 188 . 1 1 19 19 GLY C C 13 175.632 0.400 . 1 . . . . 660 GLY C . 7205 1 189 . 1 1 19 19 GLY CA C 13 47.295 0.400 . 1 . . . . 660 GLY CA . 7205 1 190 . 1 1 19 19 GLY N N 15 108.528 0.400 . 1 . . . . 660 GLY N . 7205 1 191 . 1 1 20 20 LEU H H 1 8.456 0.020 . 1 . . . . 661 LEU H . 7205 1 192 . 1 1 20 20 LEU HA H 1 4.082 0.020 . 1 . . . . 661 LEU HA . 7205 1 193 . 1 1 20 20 LEU HB2 H 1 1.961 0.020 . 1 . . . . 661 LEU HB2 . 7205 1 194 . 1 1 20 20 LEU HB3 H 1 1.579 0.020 . 1 . . . . 661 LEU HB3 . 7205 1 195 . 1 1 20 20 LEU HG H 1 1.887 0.020 . 1 . . . . 661 LEU HG . 7205 1 196 . 1 1 20 20 LEU HD11 H 1 0.854 0.020 . 2 . . . . 661 LEU HD1 . 7205 1 197 . 1 1 20 20 LEU HD12 H 1 0.854 0.020 . 2 . . . . 661 LEU HD1 . 7205 1 198 . 1 1 20 20 LEU HD13 H 1 0.854 0.020 . 2 . . . . 661 LEU HD1 . 7205 1 199 . 1 1 20 20 LEU HD21 H 1 0.850 0.020 . 2 . . . . 661 LEU HD2 . 7205 1 200 . 1 1 20 20 LEU HD22 H 1 0.850 0.020 . 2 . . . . 661 LEU HD2 . 7205 1 201 . 1 1 20 20 LEU HD23 H 1 0.850 0.020 . 2 . . . . 661 LEU HD2 . 7205 1 202 . 1 1 20 20 LEU C C 13 179.063 0.400 . 1 . . . . 661 LEU C . 7205 1 203 . 1 1 20 20 LEU CA C 13 57.895 0.400 . 1 . . . . 661 LEU CA . 7205 1 204 . 1 1 20 20 LEU CB C 13 41.729 0.400 . 1 . . . . 661 LEU CB . 7205 1 205 . 1 1 20 20 LEU CG C 13 27.006 0.400 . 1 . . . . 661 LEU CG . 7205 1 206 . 1 1 20 20 LEU CD1 C 13 23.943 0.400 . 1 . . . . 661 LEU CD1 . 7205 1 207 . 1 1 20 20 LEU CD2 C 13 24.781 0.400 . 1 . . . . 661 LEU CD2 . 7205 1 208 . 1 1 20 20 LEU N N 15 121.220 0.400 . 1 . . . . 661 LEU N . 7205 1 209 . 1 1 21 21 PHE H H 1 8.468 0.020 . 1 . . . . 662 PHE H . 7205 1 210 . 1 1 21 21 PHE HA H 1 4.137 0.020 . 1 . . . . 662 PHE HA . 7205 1 211 . 1 1 21 21 PHE HB2 H 1 3.270 0.020 . 1 . . . . 662 PHE HB2 . 7205 1 212 . 1 1 21 21 PHE HB3 H 1 3.270 0.020 . 1 . . . . 662 PHE HB3 . 7205 1 213 . 1 1 21 21 PHE C C 13 178.129 0.400 . 1 . . . . 662 PHE C . 7205 1 214 . 1 1 21 21 PHE CA C 13 61.327 0.400 . 1 . . . . 662 PHE CA . 7205 1 215 . 1 1 21 21 PHE CB C 13 38.924 0.400 . 1 . . . . 662 PHE CB . 7205 1 216 . 1 1 21 21 PHE N N 15 117.952 0.400 . 1 . . . . 662 PHE N . 7205 1 217 . 1 1 22 22 ILE H H 1 8.179 0.020 . 1 . . . . 663 ILE H . 7205 1 218 . 1 1 22 22 ILE HA H 1 3.586 0.020 . 1 . . . . 663 ILE HA . 7205 1 219 . 1 1 22 22 ILE HB H 1 2.175 0.020 . 1 . . . . 663 ILE HB . 7205 1 220 . 1 1 22 22 ILE HG12 H 1 1.891 0.020 . 2 . . . . 663 ILE HG12 . 7205 1 221 . 1 1 22 22 ILE HG13 H 1 1.245 0.020 . 2 . . . . 663 ILE HG13 . 7205 1 222 . 1 1 22 22 ILE HG21 H 1 0.872 0.020 . 1 . . . . 663 ILE HG2 . 7205 1 223 . 1 1 22 22 ILE HG22 H 1 0.872 0.020 . 1 . . . . 663 ILE HG2 . 7205 1 224 . 1 1 22 22 ILE HG23 H 1 0.872 0.020 . 1 . . . . 663 ILE HG2 . 7205 1 225 . 1 1 22 22 ILE HD11 H 1 0.828 0.020 . 1 . . . . 663 ILE HD1 . 7205 1 226 . 1 1 22 22 ILE HD12 H 1 0.828 0.020 . 1 . . . . 663 ILE HD1 . 7205 1 227 . 1 1 22 22 ILE HD13 H 1 0.828 0.020 . 1 . . . . 663 ILE HD1 . 7205 1 228 . 1 1 22 22 ILE C C 13 178.078 0.400 . 1 . . . . 663 ILE C . 7205 1 229 . 1 1 22 22 ILE CA C 13 64.661 0.400 . 1 . . . . 663 ILE CA . 7205 1 230 . 1 1 22 22 ILE CB C 13 37.049 0.400 . 1 . . . . 663 ILE CB . 7205 1 231 . 1 1 22 22 ILE CG1 C 13 29.165 0.400 . 1 . . . . 663 ILE CG1 . 7205 1 232 . 1 1 22 22 ILE CG2 C 13 17.585 0.400 . 1 . . . . 663 ILE CG2 . 7205 1 233 . 1 1 22 22 ILE CD1 C 13 12.299 0.400 . 1 . . . . 663 ILE CD1 . 7205 1 234 . 1 1 22 22 ILE N N 15 117.495 0.400 . 1 . . . . 663 ILE N . 7205 1 235 . 1 1 23 23 LEU H H 1 8.187 0.020 . 1 . . . . 664 LEU H . 7205 1 236 . 1 1 23 23 LEU HA H 1 3.914 0.020 . 1 . . . . 664 LEU HA . 7205 1 237 . 1 1 23 23 LEU HB2 H 1 1.954 0.020 . 1 . . . . 664 LEU HB2 . 7205 1 238 . 1 1 23 23 LEU HB3 H 1 1.645 0.020 . 1 . . . . 664 LEU HB3 . 7205 1 239 . 1 1 23 23 LEU HG H 1 1.864 0.020 . 1 . . . . 664 LEU HG . 7205 1 240 . 1 1 23 23 LEU HD11 H 1 0.814 0.020 . 2 . . . . 664 LEU HD1 . 7205 1 241 . 1 1 23 23 LEU HD12 H 1 0.814 0.020 . 2 . . . . 664 LEU HD1 . 7205 1 242 . 1 1 23 23 LEU HD13 H 1 0.814 0.020 . 2 . . . . 664 LEU HD1 . 7205 1 243 . 1 1 23 23 LEU HD21 H 1 0.854 0.020 . 2 . . . . 664 LEU HD2 . 7205 1 244 . 1 1 23 23 LEU HD22 H 1 0.854 0.020 . 2 . . . . 664 LEU HD2 . 7205 1 245 . 1 1 23 23 LEU HD23 H 1 0.854 0.020 . 2 . . . . 664 LEU HD2 . 7205 1 246 . 1 1 23 23 LEU C C 13 179.449 0.400 . 1 . . . . 664 LEU C . 7205 1 247 . 1 1 23 23 LEU CA C 13 58.485 0.400 . 1 . . . . 664 LEU CA . 7205 1 248 . 1 1 23 23 LEU CB C 13 41.681 0.400 . 1 . . . . 664 LEU CB . 7205 1 249 . 1 1 23 23 LEU CG C 13 26.740 0.400 . 1 . . . . 664 LEU CG . 7205 1 250 . 1 1 23 23 LEU CD1 C 13 23.894 0.400 . 1 . . . . 664 LEU CD1 . 7205 1 251 . 1 1 23 23 LEU CD2 C 13 24.838 0.400 . 1 . . . . 664 LEU CD2 . 7205 1 252 . 1 1 23 23 LEU N N 15 119.346 0.400 . 1 . . . . 664 LEU N . 7205 1 253 . 1 1 24 24 VAL H H 1 8.251 0.020 . 1 . . . . 665 VAL H . 7205 1 254 . 1 1 24 24 VAL HA H 1 3.561 0.020 . 1 . . . . 665 VAL HA . 7205 1 255 . 1 1 24 24 VAL HB H 1 2.277 0.020 . 1 . . . . 665 VAL HB . 7205 1 256 . 1 1 24 24 VAL HG11 H 1 0.854 0.020 . 1 . . . . 665 VAL HG1 . 7205 1 257 . 1 1 24 24 VAL HG12 H 1 0.854 0.020 . 1 . . . . 665 VAL HG1 . 7205 1 258 . 1 1 24 24 VAL HG13 H 1 0.854 0.020 . 1 . . . . 665 VAL HG1 . 7205 1 259 . 1 1 24 24 VAL HG21 H 1 1.036 0.020 . 1 . . . . 665 VAL HG2 . 7205 1 260 . 1 1 24 24 VAL HG22 H 1 1.036 0.020 . 1 . . . . 665 VAL HG2 . 7205 1 261 . 1 1 24 24 VAL HG23 H 1 1.036 0.020 . 1 . . . . 665 VAL HG2 . 7205 1 262 . 1 1 24 24 VAL C C 13 178.129 0.400 . 1 . . . . 665 VAL C . 7205 1 263 . 1 1 24 24 VAL CA C 13 66.901 0.400 . 1 . . . . 665 VAL CA . 7205 1 264 . 1 1 24 24 VAL CB C 13 31.158 0.400 . 1 . . . . 665 VAL CB . 7205 1 265 . 1 1 24 24 VAL CG1 C 13 21.455 0.400 . 1 . . . . 665 VAL CG1 . 7205 1 266 . 1 1 24 24 VAL CG2 C 13 23.387 0.400 . 1 . . . . 665 VAL CG2 . 7205 1 267 . 1 1 24 24 VAL N N 15 117.673 0.400 . 1 . . . . 665 VAL N . 7205 1 268 . 1 1 25 25 ILE H H 1 8.067 0.020 . 1 . . . . 666 ILE H . 7205 1 269 . 1 1 25 25 ILE HA H 1 3.684 0.020 . 1 . . . . 666 ILE HA . 7205 1 270 . 1 1 25 25 ILE HB H 1 1.971 0.020 . 1 . . . . 666 ILE HB . 7205 1 271 . 1 1 25 25 ILE HG12 H 1 1.409 0.020 . 2 . . . . 666 ILE HG12 . 7205 1 272 . 1 1 25 25 ILE HG13 H 1 1.065 0.020 . 2 . . . . 666 ILE HG13 . 7205 1 273 . 1 1 25 25 ILE HG21 H 1 0.802 0.020 . 1 . . . . 666 ILE HG2 . 7205 1 274 . 1 1 25 25 ILE HG22 H 1 0.802 0.020 . 1 . . . . 666 ILE HG2 . 7205 1 275 . 1 1 25 25 ILE HG23 H 1 0.802 0.020 . 1 . . . . 666 ILE HG2 . 7205 1 276 . 1 1 25 25 ILE HD11 H 1 0.603 0.020 . 1 . . . . 666 ILE HD1 . 7205 1 277 . 1 1 25 25 ILE HD12 H 1 0.603 0.020 . 1 . . . . 666 ILE HD1 . 7205 1 278 . 1 1 25 25 ILE HD13 H 1 0.603 0.020 . 1 . . . . 666 ILE HD1 . 7205 1 279 . 1 1 25 25 ILE C C 13 180.149 0.400 . 1 . . . . 666 ILE C . 7205 1 280 . 1 1 25 25 ILE CA C 13 64.572 0.400 . 1 . . . . 666 ILE CA . 7205 1 281 . 1 1 25 25 ILE CB C 13 36.723 0.400 . 1 . . . . 666 ILE CB . 7205 1 282 . 1 1 25 25 ILE CG1 C 13 28.649 0.400 . 1 . . . . 666 ILE CG1 . 7205 1 283 . 1 1 25 25 ILE CG2 C 13 17.578 0.400 . 1 . . . . 666 ILE CG2 . 7205 1 284 . 1 1 25 25 ILE CD1 C 13 11.991 0.400 . 1 . . . . 666 ILE CD1 . 7205 1 285 . 1 1 25 25 ILE N N 15 118.720 0.400 . 1 . . . . 666 ILE N . 7205 1 286 . 1 1 26 26 VAL H H 1 8.821 0.020 . 1 . . . . 667 VAL H . 7205 1 287 . 1 1 26 26 VAL HA H 1 3.541 0.020 . 1 . . . . 667 VAL HA . 7205 1 288 . 1 1 26 26 VAL HB H 1 2.237 0.020 . 1 . . . . 667 VAL HB . 7205 1 289 . 1 1 26 26 VAL HG11 H 1 1.032 0.020 . 2 . . . . 667 VAL HG1 . 7205 1 290 . 1 1 26 26 VAL HG12 H 1 1.032 0.020 . 2 . . . . 667 VAL HG1 . 7205 1 291 . 1 1 26 26 VAL HG13 H 1 1.032 0.020 . 2 . . . . 667 VAL HG1 . 7205 1 292 . 1 1 26 26 VAL HG21 H 1 0.864 0.020 . 2 . . . . 667 VAL HG2 . 7205 1 293 . 1 1 26 26 VAL HG22 H 1 0.864 0.020 . 2 . . . . 667 VAL HG2 . 7205 1 294 . 1 1 26 26 VAL HG23 H 1 0.864 0.020 . 2 . . . . 667 VAL HG2 . 7205 1 295 . 1 1 26 26 VAL C C 13 178.342 0.400 . 1 . . . . 667 VAL C . 7205 1 296 . 1 1 26 26 VAL CA C 13 67.168 0.400 . 1 . . . . 667 VAL CA . 7205 1 297 . 1 1 26 26 VAL CB C 13 31.224 0.400 . 1 . . . . 667 VAL CB . 7205 1 298 . 1 1 26 26 VAL CG1 C 13 23.368 0.400 . 1 . . . . 667 VAL CG1 . 7205 1 299 . 1 1 26 26 VAL CG2 C 13 21.530 0.400 . 1 . . . . 667 VAL CG2 . 7205 1 300 . 1 1 26 26 VAL N N 15 122.385 0.400 . 1 . . . . 667 VAL N . 7205 1 301 . 1 1 27 27 GLY H H 1 8.777 0.020 . 1 . . . . 668 GLY H . 7205 1 302 . 1 1 27 27 GLY HA2 H 1 3.782 0.020 . 1 . . . . 668 GLY HA2 . 7205 1 303 . 1 1 27 27 GLY HA3 H 1 3.662 0.020 . 1 . . . . 668 GLY HA3 . 7205 1 304 . 1 1 27 27 GLY C C 13 175.804 0.400 . 1 . . . . 668 GLY C . 7205 1 305 . 1 1 27 27 GLY CA C 13 47.674 0.400 . 1 . . . . 668 GLY CA . 7205 1 306 . 1 1 27 27 GLY N N 15 107.647 0.400 . 1 . . . . 668 GLY N . 7205 1 307 . 1 1 28 28 LEU H H 1 8.785 0.020 . 1 . . . . 669 LEU H . 7205 1 308 . 1 1 28 28 LEU HA H 1 4.138 0.020 . 1 . . . . 669 LEU HA . 7205 1 309 . 1 1 28 28 LEU HB2 H 1 1.910 0.020 . 1 . . . . 669 LEU HB2 . 7205 1 310 . 1 1 28 28 LEU HB3 H 1 1.566 0.020 . 1 . . . . 669 LEU HB3 . 7205 1 311 . 1 1 28 28 LEU HG H 1 1.926 0.020 . 1 . . . . 669 LEU HG . 7205 1 312 . 1 1 28 28 LEU HD11 H 1 0.858 0.020 . 2 . . . . 669 LEU HD1 . 7205 1 313 . 1 1 28 28 LEU HD12 H 1 0.858 0.020 . 2 . . . . 669 LEU HD1 . 7205 1 314 . 1 1 28 28 LEU HD13 H 1 0.858 0.020 . 2 . . . . 669 LEU HD1 . 7205 1 315 . 1 1 28 28 LEU HD21 H 1 0.858 0.020 . 2 . . . . 669 LEU HD2 . 7205 1 316 . 1 1 28 28 LEU HD22 H 1 0.858 0.020 . 2 . . . . 669 LEU HD2 . 7205 1 317 . 1 1 28 28 LEU HD23 H 1 0.858 0.020 . 2 . . . . 669 LEU HD2 . 7205 1 318 . 1 1 28 28 LEU C C 13 179.002 0.400 . 1 . . . . 669 LEU C . 7205 1 319 . 1 1 28 28 LEU CA C 13 57.865 0.400 . 1 . . . . 669 LEU CA . 7205 1 320 . 1 1 28 28 LEU CB C 13 42.305 0.400 . 1 . . . . 669 LEU CB . 7205 1 321 . 1 1 28 28 LEU CG C 13 26.859 0.400 . 1 . . . . 669 LEU CG . 7205 1 322 . 1 1 28 28 LEU CD2 C 13 23.726 0.400 . 1 . . . . 669 LEU CD2 . 7205 1 323 . 1 1 28 28 LEU N N 15 120.495 0.400 . 1 . . . . 669 LEU N . 7205 1 324 . 1 1 29 29 THR H H 1 8.105 0.020 . 1 . . . . 670 THR H . 7205 1 325 . 1 1 29 29 THR HA H 1 3.798 0.020 . 1 . . . . 670 THR HA . 7205 1 326 . 1 1 29 29 THR HB H 1 4.307 0.020 . 1 . . . . 670 THR HB . 7205 1 327 . 1 1 29 29 THR HG21 H 1 1.163 0.020 . 1 . . . . 670 THR HG2 . 7205 1 328 . 1 1 29 29 THR HG22 H 1 1.163 0.020 . 1 . . . . 670 THR HG2 . 7205 1 329 . 1 1 29 29 THR HG23 H 1 1.163 0.020 . 1 . . . . 670 THR HG2 . 7205 1 330 . 1 1 29 29 THR C C 13 177.368 0.400 . 1 . . . . 670 THR C . 7205 1 331 . 1 1 29 29 THR CA C 13 67.731 0.400 . 1 . . . . 670 THR CA . 7205 1 332 . 1 1 29 29 THR CB C 13 67.448 0.400 . 1 . . . . 670 THR CB . 7205 1 333 . 1 1 29 29 THR CG2 C 13 21.606 0.400 . 1 . . . . 670 THR CG2 . 7205 1 334 . 1 1 29 29 THR N N 15 115.348 0.400 . 1 . . . . 670 THR N . 7205 1 335 . 1 1 30 30 PHE H H 1 8.498 0.020 . 1 . . . . 671 PHE H . 7205 1 336 . 1 1 30 30 PHE HA H 1 4.288 0.020 . 1 . . . . 671 PHE HA . 7205 1 337 . 1 1 30 30 PHE HB2 H 1 3.241 0.020 . 1 . . . . 671 PHE HB2 . 7205 1 338 . 1 1 30 30 PHE HB3 H 1 3.241 0.020 . 1 . . . . 671 PHE HB3 . 7205 1 339 . 1 1 30 30 PHE C C 13 177.479 0.400 . 1 . . . . 671 PHE C . 7205 1 340 . 1 1 30 30 PHE CA C 13 61.243 0.400 . 1 . . . . 671 PHE CA . 7205 1 341 . 1 1 30 30 PHE CB C 13 39.128 0.400 . 1 . . . . 671 PHE CB . 7205 1 342 . 1 1 30 30 PHE N N 15 120.724 0.400 . 1 . . . . 671 PHE N . 7205 1 343 . 1 1 31 31 ALA H H 1 8.384 0.020 . 1 . . . . 672 ALA H . 7205 1 344 . 1 1 31 31 ALA HA H 1 3.991 0.020 . 1 . . . . 672 ALA HA . 7205 1 345 . 1 1 31 31 ALA HB1 H 1 1.606 0.020 . 1 . . . . 672 ALA HB . 7205 1 346 . 1 1 31 31 ALA HB2 H 1 1.606 0.020 . 1 . . . . 672 ALA HB . 7205 1 347 . 1 1 31 31 ALA HB3 H 1 1.606 0.020 . 1 . . . . 672 ALA HB . 7205 1 348 . 1 1 31 31 ALA C C 13 180.169 0.400 . 1 . . . . 672 ALA C . 7205 1 349 . 1 1 31 31 ALA CA C 13 55.317 0.400 . 1 . . . . 672 ALA CA . 7205 1 350 . 1 1 31 31 ALA CB C 13 18.402 0.400 . 1 . . . . 672 ALA CB . 7205 1 351 . 1 1 31 31 ALA N N 15 120.172 0.400 . 1 . . . . 672 ALA N . 7205 1 352 . 1 1 32 32 VAL H H 1 8.150 0.020 . 1 . . . . 673 VAL H . 7205 1 353 . 1 1 32 32 VAL HA H 1 3.635 0.020 . 1 . . . . 673 VAL HA . 7205 1 354 . 1 1 32 32 VAL HB H 1 2.284 0.020 . 1 . . . . 673 VAL HB . 7205 1 355 . 1 1 32 32 VAL HG11 H 1 0.964 0.020 . 1 . . . . 673 VAL HG1 . 7205 1 356 . 1 1 32 32 VAL HG12 H 1 0.964 0.020 . 1 . . . . 673 VAL HG1 . 7205 1 357 . 1 1 32 32 VAL HG13 H 1 0.964 0.020 . 1 . . . . 673 VAL HG1 . 7205 1 358 . 1 1 32 32 VAL HG21 H 1 1.142 0.020 . 1 . . . . 673 VAL HG2 . 7205 1 359 . 1 1 32 32 VAL HG22 H 1 1.142 0.020 . 1 . . . . 673 VAL HG2 . 7205 1 360 . 1 1 32 32 VAL HG23 H 1 1.142 0.020 . 1 . . . . 673 VAL HG2 . 7205 1 361 . 1 1 32 32 VAL C C 13 178.413 0.400 . 1 . . . . 673 VAL C . 7205 1 362 . 1 1 32 32 VAL CA C 13 66.227 0.400 . 1 . . . . 673 VAL CA . 7205 1 363 . 1 1 32 32 VAL CB C 13 31.613 0.400 . 1 . . . . 673 VAL CB . 7205 1 364 . 1 1 32 32 VAL CG1 C 13 21.597 0.400 . 1 . . . . 673 VAL CG1 . 7205 1 365 . 1 1 32 32 VAL CG2 C 13 23.123 0.400 . 1 . . . . 673 VAL CG2 . 7205 1 366 . 1 1 32 32 VAL N N 15 116.594 0.400 . 1 . . . . 673 VAL N . 7205 1 367 . 1 1 33 33 TYR H H 1 8.162 0.020 . 1 . . . . 674 TYR H . 7205 1 368 . 1 1 33 33 TYR HA H 1 4.114 0.020 . 1 . . . . 674 TYR HA . 7205 1 369 . 1 1 33 33 TYR HB2 H 1 3.248 0.020 . 2 . . . . 674 TYR HB2 . 7205 1 370 . 1 1 33 33 TYR HB3 H 1 3.082 0.020 . 2 . . . . 674 TYR HB3 . 7205 1 371 . 1 1 33 33 TYR HD1 H 1 6.986 0.020 . 1 . . . . 674 TYR HD1 . 7205 1 372 . 1 1 33 33 TYR HD2 H 1 6.986 0.020 . 1 . . . . 674 TYR HD2 . 7205 1 373 . 1 1 33 33 TYR HE1 H 1 6.788 0.020 . 1 . . . . 674 TYR HE1 . 7205 1 374 . 1 1 33 33 TYR HE2 H 1 6.788 0.020 . 1 . . . . 674 TYR HE2 . 7205 1 375 . 1 1 33 33 TYR C C 13 178.504 0.400 . 1 . . . . 674 TYR C . 7205 1 376 . 1 1 33 33 TYR CA C 13 61.688 0.400 . 1 . . . . 674 TYR CA . 7205 1 377 . 1 1 33 33 TYR CB C 13 38.609 0.400 . 1 . . . . 674 TYR CB . 7205 1 378 . 1 1 33 33 TYR N N 15 120.453 0.400 . 1 . . . . 674 TYR N . 7205 1 379 . 1 1 34 34 VAL H H 1 8.380 0.020 . 1 . . . . 675 VAL H . 7205 1 380 . 1 1 34 34 VAL HA H 1 3.501 0.020 . 1 . . . . 675 VAL HA . 7205 1 381 . 1 1 34 34 VAL HB H 1 2.054 0.020 . 1 . . . . 675 VAL HB . 7205 1 382 . 1 1 34 34 VAL HG11 H 1 0.889 0.020 . 2 . . . . 675 VAL HG1 . 7205 1 383 . 1 1 34 34 VAL HG12 H 1 0.889 0.020 . 2 . . . . 675 VAL HG1 . 7205 1 384 . 1 1 34 34 VAL HG13 H 1 0.889 0.020 . 2 . . . . 675 VAL HG1 . 7205 1 385 . 1 1 34 34 VAL HG21 H 1 0.870 0.020 . 2 . . . . 675 VAL HG2 . 7205 1 386 . 1 1 34 34 VAL HG22 H 1 0.870 0.020 . 2 . . . . 675 VAL HG2 . 7205 1 387 . 1 1 34 34 VAL HG23 H 1 0.870 0.020 . 2 . . . . 675 VAL HG2 . 7205 1 388 . 1 1 34 34 VAL C C 13 179.144 0.400 . 1 . . . . 675 VAL C . 7205 1 389 . 1 1 34 34 VAL CA C 13 65.417 0.400 . 1 . . . . 675 VAL CA . 7205 1 390 . 1 1 34 34 VAL CB C 13 31.635 0.400 . 1 . . . . 675 VAL CB . 7205 1 391 . 1 1 34 34 VAL CG1 C 13 21.521 0.400 . 1 . . . . 675 VAL CG1 . 7205 1 392 . 1 1 34 34 VAL CG2 C 13 22.421 0.400 . 1 . . . . 675 VAL CG2 . 7205 1 393 . 1 1 34 34 VAL N N 15 116.658 0.400 . 1 . . . . 675 VAL N . 7205 1 394 . 1 1 35 35 ARG H H 1 7.876 0.020 . 1 . . . . 676 ARG H . 7205 1 395 . 1 1 35 35 ARG HA H 1 4.128 0.020 . 1 . . . . 676 ARG HA . 7205 1 396 . 1 1 35 35 ARG HB2 H 1 2.050 0.020 . 2 . . . . 676 ARG HB2 . 7205 1 397 . 1 1 35 35 ARG HB3 H 1 1.958 0.020 . 2 . . . . 676 ARG HB3 . 7205 1 398 . 1 1 35 35 ARG HG2 H 1 1.725 0.020 . 1 . . . . 676 ARG HG2 . 7205 1 399 . 1 1 35 35 ARG HG3 H 1 1.725 0.020 . 1 . . . . 676 ARG HG3 . 7205 1 400 . 1 1 35 35 ARG HD2 H 1 3.171 0.020 . 1 . . . . 676 ARG HD2 . 7205 1 401 . 1 1 35 35 ARG HD3 H 1 3.171 0.020 . 1 . . . . 676 ARG HD3 . 7205 1 402 . 1 1 35 35 ARG C C 13 179.032 0.400 . 1 . . . . 676 ARG C . 7205 1 403 . 1 1 35 35 ARG CA C 13 57.696 0.400 . 1 . . . . 676 ARG CA . 7205 1 404 . 1 1 35 35 ARG CB C 13 29.934 0.400 . 1 . . . . 676 ARG CB . 7205 1 405 . 1 1 35 35 ARG CG C 13 27.470 0.400 . 1 . . . . 676 ARG CG . 7205 1 406 . 1 1 35 35 ARG CD C 13 43.283 0.400 . 1 . . . . 676 ARG CD . 7205 1 407 . 1 1 35 35 ARG N N 15 120.193 0.400 . 1 . . . . 676 ARG N . 7205 1 408 . 1 1 36 36 ARG H H 1 8.019 0.020 . 1 . . . . 677 ARG H . 7205 1 409 . 1 1 36 36 ARG HA H 1 4.128 0.020 . 1 . . . . 677 ARG HA . 7205 1 410 . 1 1 36 36 ARG HB2 H 1 1.903 0.020 . 1 . . . . 677 ARG HB2 . 7205 1 411 . 1 1 36 36 ARG HB3 H 1 1.903 0.020 . 1 . . . . 677 ARG HB3 . 7205 1 412 . 1 1 36 36 ARG HG2 H 1 1.744 0.020 . 1 . . . . 677 ARG HG2 . 7205 1 413 . 1 1 36 36 ARG HG3 H 1 1.744 0.020 . 1 . . . . 677 ARG HG3 . 7205 1 414 . 1 1 36 36 ARG HD2 H 1 3.138 0.020 . 1 . . . . 677 ARG HD2 . 7205 1 415 . 1 1 36 36 ARG HD3 H 1 3.138 0.020 . 1 . . . . 677 ARG HD3 . 7205 1 416 . 1 1 36 36 ARG C C 13 178.494 0.400 . 1 . . . . 677 ARG C . 7205 1 417 . 1 1 36 36 ARG CA C 13 57.745 0.400 . 1 . . . . 677 ARG CA . 7205 1 418 . 1 1 36 36 ARG CB C 13 29.995 0.400 . 1 . . . . 677 ARG CB . 7205 1 419 . 1 1 36 36 ARG CG C 13 27.432 0.400 . 1 . . . . 677 ARG CG . 7205 1 420 . 1 1 36 36 ARG CD C 13 43.500 0.400 . 1 . . . . 677 ARG CD . 7205 1 421 . 1 1 36 36 ARG N N 15 118.684 0.400 . 1 . . . . 677 ARG N . 7205 1 422 . 1 1 37 37 LYS H H 1 7.839 0.020 . 1 . . . . 678 LYS H . 7205 1 423 . 1 1 37 37 LYS HA H 1 4.171 0.020 . 1 . . . . 678 LYS HA . 7205 1 424 . 1 1 37 37 LYS HB2 H 1 1.694 0.020 . 2 . . . . 678 LYS HB2 . 7205 1 425 . 1 1 37 37 LYS HB3 H 1 1.766 0.020 . 2 . . . . 678 LYS HB3 . 7205 1 426 . 1 1 37 37 LYS HG3 H 1 1.313 0.020 . 2 . . . . 678 LYS HG3 . 7205 1 427 . 1 1 37 37 LYS HD2 H 1 1.574 0.020 . 1 . . . . 678 LYS HD2 . 7205 1 428 . 1 1 37 37 LYS HD3 H 1 1.574 0.020 . 1 . . . . 678 LYS HD3 . 7205 1 429 . 1 1 37 37 LYS HE2 H 1 2.921 0.020 . 1 . . . . 678 LYS HE2 . 7205 1 430 . 1 1 37 37 LYS HE3 H 1 2.921 0.020 . 1 . . . . 678 LYS HE3 . 7205 1 431 . 1 1 37 37 LYS C C 13 178.088 0.400 . 1 . . . . 678 LYS C . 7205 1 432 . 1 1 37 37 LYS CA C 13 56.528 0.400 . 1 . . . . 678 LYS CA . 7205 1 433 . 1 1 37 37 LYS CB C 13 32.262 0.400 . 1 . . . . 678 LYS CB . 7205 1 434 . 1 1 37 37 LYS CG C 13 24.405 0.400 . 1 . . . . 678 LYS CG . 7205 1 435 . 1 1 37 37 LYS CD C 13 28.698 0.400 . 1 . . . . 678 LYS CD . 7205 1 436 . 1 1 37 37 LYS CE C 13 41.885 0.400 . 1 . . . . 678 LYS CE . 7205 1 437 . 1 1 37 37 LYS N N 15 118.756 0.400 . 1 . . . . 678 LYS N . 7205 1 438 . 1 1 38 38 SER H H 1 7.851 0.020 . 1 . . . . 679 SER H . 7205 1 439 . 1 1 38 38 SER HA H 1 4.415 0.020 . 1 . . . . 679 SER HA . 7205 1 440 . 1 1 38 38 SER HB2 H 1 3.920 0.020 . 1 . . . . 679 SER HB2 . 7205 1 441 . 1 1 38 38 SER HB3 H 1 3.920 0.020 . 1 . . . . 679 SER HB3 . 7205 1 442 . 1 1 38 38 SER C C 13 175.459 0.400 . 1 . . . . 679 SER C . 7205 1 443 . 1 1 38 38 SER CA C 13 58.760 0.400 . 1 . . . . 679 SER CA . 7205 1 444 . 1 1 38 38 SER CB C 13 63.638 0.400 . 1 . . . . 679 SER CB . 7205 1 445 . 1 1 38 38 SER N N 15 114.720 0.400 . 1 . . . . 679 SER N . 7205 1 446 . 1 1 39 39 ILE H H 1 7.712 0.020 . 1 . . . . 680 ILE H . 7205 1 447 . 1 1 39 39 ILE HA H 1 4.148 0.020 . 1 . . . . 680 ILE HA . 7205 1 448 . 1 1 39 39 ILE HB H 1 1.917 0.020 . 1 . . . . 680 ILE HB . 7205 1 449 . 1 1 39 39 ILE HG12 H 1 1.527 0.020 . 2 . . . . 680 ILE HG12 . 7205 1 450 . 1 1 39 39 ILE HG13 H 1 1.249 0.020 . 2 . . . . 680 ILE HG13 . 7205 1 451 . 1 1 39 39 ILE HG21 H 1 0.930 0.020 . 1 . . . . 680 ILE HG2 . 7205 1 452 . 1 1 39 39 ILE HG22 H 1 0.930 0.020 . 1 . . . . 680 ILE HG2 . 7205 1 453 . 1 1 39 39 ILE HG23 H 1 0.930 0.020 . 1 . . . . 680 ILE HG2 . 7205 1 454 . 1 1 39 39 ILE HD11 H 1 0.899 0.020 . 1 . . . . 680 ILE HD1 . 7205 1 455 . 1 1 39 39 ILE HD12 H 1 0.899 0.020 . 1 . . . . 680 ILE HD1 . 7205 1 456 . 1 1 39 39 ILE HD13 H 1 0.899 0.020 . 1 . . . . 680 ILE HD1 . 7205 1 457 . 1 1 39 39 ILE C C 13 176.992 0.400 . 1 . . . . 680 ILE C . 7205 1 458 . 1 1 39 39 ILE CA C 13 61.347 0.400 . 1 . . . . 680 ILE CA . 7205 1 459 . 1 1 39 39 ILE CB C 13 38.482 0.400 . 1 . . . . 680 ILE CB . 7205 1 460 . 1 1 39 39 ILE CG1 C 13 27.281 0.400 . 1 . . . . 680 ILE CG1 . 7205 1 461 . 1 1 39 39 ILE CG2 C 13 17.590 0.400 . 1 . . . . 680 ILE CG2 . 7205 1 462 . 1 1 39 39 ILE CD1 C 13 13.045 0.400 . 1 . . . . 680 ILE CD1 . 7205 1 463 . 1 1 39 39 ILE N N 15 121.616 0.400 . 1 . . . . 680 ILE N . 7205 1 464 . 1 1 40 40 LYS H H 1 8.121 0.020 . 1 . . . . 681 LYS H . 7205 1 465 . 1 1 40 40 LYS HA H 1 4.343 0.020 . 1 . . . . 681 LYS HA . 7205 1 466 . 1 1 40 40 LYS HB3 H 1 1.798 0.020 . 2 . . . . 681 LYS HB3 . 7205 1 467 . 1 1 40 40 LYS HG2 H 1 1.429 0.020 . 1 . . . . 681 LYS HG2 . 7205 1 468 . 1 1 40 40 LYS HG3 H 1 1.429 0.020 . 1 . . . . 681 LYS HG3 . 7205 1 469 . 1 1 40 40 LYS HD2 H 1 1.702 0.020 . 1 . . . . 681 LYS HD2 . 7205 1 470 . 1 1 40 40 LYS HD3 H 1 1.702 0.020 . 1 . . . . 681 LYS HD3 . 7205 1 471 . 1 1 40 40 LYS HE2 H 1 3.024 0.020 . 1 . . . . 681 LYS HE2 . 7205 1 472 . 1 1 40 40 LYS HE3 H 1 3.024 0.020 . 1 . . . . 681 LYS HE3 . 7205 1 473 . 1 1 40 40 LYS C C 13 177.185 0.400 . 1 . . . . 681 LYS C . 7205 1 474 . 1 1 40 40 LYS CA C 13 55.944 0.400 . 1 . . . . 681 LYS CA . 7205 1 475 . 1 1 40 40 LYS CB C 13 33.090 0.400 . 1 . . . . 681 LYS CB . 7205 1 476 . 1 1 40 40 LYS CG C 13 24.478 0.400 . 1 . . . . 681 LYS CG . 7205 1 477 . 1 1 40 40 LYS CD C 13 28.747 0.400 . 1 . . . . 681 LYS CD . 7205 1 478 . 1 1 40 40 LYS CE C 13 42.126 0.400 . 1 . . . . 681 LYS CE . 7205 1 479 . 1 1 40 40 LYS N N 15 124.677 0.400 . 1 . . . . 681 LYS N . 7205 1 480 . 1 1 41 41 LYS H H 1 8.125 0.020 . 1 . . . . 682 LYS H . 7205 1 481 . 1 1 41 41 LYS HA H 1 4.335 0.020 . 1 . . . . 682 LYS HA . 7205 1 482 . 1 1 41 41 LYS HB2 H 1 1.795 0.020 . 1 . . . . 682 LYS HB2 . 7205 1 483 . 1 1 41 41 LYS HB3 H 1 1.795 0.020 . 1 . . . . 682 LYS HB3 . 7205 1 484 . 1 1 41 41 LYS HG2 H 1 1.479 0.020 . 1 . . . . 682 LYS HG2 . 7205 1 485 . 1 1 41 41 LYS HG3 H 1 1.479 0.020 . 1 . . . . 682 LYS HG3 . 7205 1 486 . 1 1 41 41 LYS HD2 H 1 1.702 0.020 . 1 . . . . 682 LYS HD2 . 7205 1 487 . 1 1 41 41 LYS HD3 H 1 1.702 0.020 . 1 . . . . 682 LYS HD3 . 7205 1 488 . 1 1 41 41 LYS HE2 H 1 3.024 0.020 . 1 . . . . 682 LYS HE2 . 7205 1 489 . 1 1 41 41 LYS HE3 H 1 3.024 0.020 . 1 . . . . 682 LYS HE3 . 7205 1 490 . 1 1 41 41 LYS C C 13 177.144 0.400 . 1 . . . . 682 LYS C . 7205 1 491 . 1 1 41 41 LYS CA C 13 55.724 0.400 . 1 . . . . 682 LYS CA . 7205 1 492 . 1 1 41 41 LYS CB C 13 32.973 0.400 . 1 . . . . 682 LYS CB . 7205 1 493 . 1 1 41 41 LYS CG C 13 24.613 0.400 . 1 . . . . 682 LYS CG . 7205 1 494 . 1 1 41 41 LYS CD C 13 28.943 0.400 . 1 . . . . 682 LYS CD . 7205 1 495 . 1 1 41 41 LYS CE C 13 41.934 0.400 . 1 . . . . 682 LYS CE . 7205 1 496 . 1 1 41 41 LYS N N 15 122.672 0.400 . 1 . . . . 682 LYS N . 7205 1 497 . 1 1 42 42 LYS H H 1 8.234 0.020 . 1 . . . . 683 LYS H . 7205 1 498 . 1 1 42 42 LYS HA H 1 4.321 0.020 . 1 . . . . 683 LYS HA . 7205 1 499 . 1 1 42 42 LYS HB2 H 1 1.791 0.020 . 1 . . . . 683 LYS HB2 . 7205 1 500 . 1 1 42 42 LYS HB3 H 1 1.791 0.020 . 1 . . . . 683 LYS HB3 . 7205 1 501 . 1 1 42 42 LYS HG2 H 1 1.439 0.020 . 1 . . . . 683 LYS HG2 . 7205 1 502 . 1 1 42 42 LYS HG3 H 1 1.439 0.020 . 1 . . . . 683 LYS HG3 . 7205 1 503 . 1 1 42 42 LYS HD2 H 1 1.702 0.020 . 1 . . . . 683 LYS HD2 . 7205 1 504 . 1 1 42 42 LYS HD3 H 1 1.702 0.020 . 1 . . . . 683 LYS HD3 . 7205 1 505 . 1 1 42 42 LYS HE2 H 1 3.024 0.020 . 1 . . . . 683 LYS HE2 . 7205 1 506 . 1 1 42 42 LYS HE3 H 1 3.024 0.020 . 1 . . . . 683 LYS HE3 . 7205 1 507 . 1 1 42 42 LYS C C 13 177.093 0.400 . 1 . . . . 683 LYS C . 7205 1 508 . 1 1 42 42 LYS CA C 13 56.081 0.400 . 1 . . . . 683 LYS CA . 7205 1 509 . 1 1 42 42 LYS CB C 13 33.163 0.400 . 1 . . . . 683 LYS CB . 7205 1 510 . 1 1 42 42 LYS CG C 13 24.650 0.400 . 1 . . . . 683 LYS CG . 7205 1 511 . 1 1 42 42 LYS CD C 13 28.845 0.400 . 1 . . . . 683 LYS CD . 7205 1 512 . 1 1 42 42 LYS CE C 13 41.765 0.400 . 1 . . . . 683 LYS CE . 7205 1 513 . 1 1 42 42 LYS N N 15 123.029 0.400 . 1 . . . . 683 LYS N . 7205 1 514 . 1 1 43 43 ARG H H 1 8.288 0.020 . 1 . . . . 684 ARG H . 7205 1 515 . 1 1 43 43 ARG HA H 1 4.324 0.020 . 1 . . . . 684 ARG HA . 7205 1 516 . 1 1 43 43 ARG HB2 H 1 1.909 0.020 . 2 . . . . 684 ARG HB2 . 7205 1 517 . 1 1 43 43 ARG HB3 H 1 1.806 0.020 . 2 . . . . 684 ARG HB3 . 7205 1 518 . 1 1 43 43 ARG HG2 H 1 1.671 0.020 . 1 . . . . 684 ARG HG2 . 7205 1 519 . 1 1 43 43 ARG HG3 H 1 1.671 0.020 . 1 . . . . 684 ARG HG3 . 7205 1 520 . 1 1 43 43 ARG HD2 H 1 3.229 0.020 . 1 . . . . 684 ARG HD2 . 7205 1 521 . 1 1 43 43 ARG HD3 H 1 3.229 0.020 . 1 . . . . 684 ARG HD3 . 7205 1 522 . 1 1 43 43 ARG C C 13 175.713 0.400 . 1 . . . . 684 ARG C . 7205 1 523 . 1 1 43 43 ARG CA C 13 55.964 0.400 . 1 . . . . 684 ARG CA . 7205 1 524 . 1 1 43 43 ARG CB C 13 30.896 0.400 . 1 . . . . 684 ARG CB . 7205 1 525 . 1 1 43 43 ARG CG C 13 27.046 0.400 . 1 . . . . 684 ARG CG . 7205 1 526 . 1 1 43 43 ARG CD C 13 43.283 0.400 . 1 . . . . 684 ARG CD . 7205 1 527 . 1 1 43 43 ARG N N 15 123.203 0.400 . 1 . . . . 684 ARG N . 7205 1 528 . 1 1 44 44 ALA H H 1 7.921 0.020 . 1 . . . . 685 ALA H . 7205 1 529 . 1 1 44 44 ALA HA H 1 4.137 0.020 . 1 . . . . 685 ALA HA . 7205 1 530 . 1 1 44 44 ALA HB1 H 1 1.359 0.020 . 1 . . . . 685 ALA HB . 7205 1 531 . 1 1 44 44 ALA HB2 H 1 1.359 0.020 . 1 . . . . 685 ALA HB . 7205 1 532 . 1 1 44 44 ALA HB3 H 1 1.359 0.020 . 1 . . . . 685 ALA HB . 7205 1 533 . 1 1 44 44 ALA CA C 13 53.519 0.400 . 1 . . . . 685 ALA CA . 7205 1 534 . 1 1 44 44 ALA CB C 13 20.035 0.400 . 1 . . . . 685 ALA CB . 7205 1 535 . 1 1 44 44 ALA N N 15 130.633 0.400 . 1 . . . . 685 ALA N . 7205 1 stop_ save_ ######################## # Coupling constants # ######################## save_J_coupling_list_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode J_coupling_list_1 _Coupling_constant_list.Entry_ID 7205 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H 600 _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 $sample_1 isotropic 7205 1 stop_ loop_ _Coupling_constant_software.Software_ID _Coupling_constant_software.Software_label _Coupling_constant_software.Method_ID _Coupling_constant_software.Method_label _Coupling_constant_software.Entry_ID _Coupling_constant_software.Coupling_constant_list_ID 1 $software_1 . . 7205 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 3 3 LEU H H 1 . . 1 1 3 3 LEU HA H 1 . 6.25 . . 0.10 . . . . . . . . . . . 7205 1 2 3JHNHA . 1 1 5 5 GLN H H 1 . . 1 1 5 5 GLN HA H 1 . 5.69 . . 0.18 . . . . . . . . . . . 7205 1 3 3JHNHA . 1 1 6 6 HIS H H 1 . . 1 1 6 6 HIS HA H 1 . 8.92 . . 4.95 . . . . . . . . . . . 7205 1 4 3JHNHA . 1 1 7 7 ALA H H 1 . . 1 1 7 7 ALA HA H 1 . 4.49 . . 1.65 . . . . . . . . . . . 7205 1 5 3JHNHA . 1 1 8 8 ARG H H 1 . . 1 1 8 8 ARG HA H 1 . 5.85 . . 0.22 . . . . . . . . . . . 7205 1 6 3JHNHA . 1 1 12 12 ILE H H 1 . . 1 1 12 12 ILE HA H 1 . 3.58 . . 1.20 . . . . . . . . . . . 7205 1 7 3JHNHA . 1 1 13 13 ALA H H 1 . . 1 1 13 13 ALA HA H 1 . 4.13 . . 1.17 . . . . . . . . . . . 7205 1 8 3JHNHA . 1 1 14 14 ALA H H 1 . . 1 1 14 14 ALA HA H 1 . 3.77 . . 0.34 . . . . . . . . . . . 7205 1 9 3JHNHA . 1 1 15 15 GLY H H 1 . . 1 1 15 15 GLY HA2 H 1 . 4.82 . . 1.12 . . . . . . . . . . . 7205 1 10 3JHNHA . 1 1 16 16 VAL H H 1 . . 1 1 16 16 VAL HA H 1 . 4.00 . . 1.93 . . . . . . . . . . . 7205 1 11 3JHNHA . 1 1 17 17 ILE H H 1 . . 1 1 17 17 ILE HA H 1 . 4.41 . . 1.59 . . . . . . . . . . . 7205 1 12 3JHNHA . 1 1 20 20 LEU H H 1 . . 1 1 20 20 LEU HA H 1 . 3.96 . . 0.34 . . . . . . . . . . . 7205 1 13 3JHNHA . 1 1 21 21 PHE H H 1 . . 1 1 21 21 PHE HA H 1 . 3.19 . . 0.56 . . . . . . . . . . . 7205 1 14 3JHNHA . 1 1 22 22 ILE H H 1 . . 1 1 22 22 ILE HA H 1 . 4.31 . . 0.51 . . . . . . . . . . . 7205 1 15 3JHNHA . 1 1 23 23 LEU H H 1 . . 1 1 23 23 LEU HA H 1 . 3.06 . . 0.36 . . . . . . . . . . . 7205 1 16 3JHNHA . 1 1 24 24 VAL H H 1 . . 1 1 24 24 VAL HA H 1 . 5.13 . . 0.17 . . . . . . . . . . . 7205 1 17 3JHNHA . 1 1 25 25 ILE H H 1 . . 1 1 25 25 ILE HA H 1 . 4.73 . . 0.28 . . . . . . . . . . . 7205 1 18 3JHNHA . 1 1 26 26 VAL H H 1 . . 1 1 26 26 VAL HA H 1 . 4.58 . . 0.24 . . . . . . . . . . . 7205 1 19 3JHNHA . 1 1 27 27 GLY H H 1 . . 1 1 27 27 GLY HA3 H 1 . 2.87 . . 0.60 . . . . . . . . . . . 7205 1 20 3JHNHA . 1 1 27 27 GLY H H 1 . . 1 1 27 27 GLY HA2 H 1 . 6.01 . . 0.30 . . . . . . . . . . . 7205 1 21 3JHNHA . 1 1 28 28 LEU H H 1 . . 1 1 28 28 LEU HA H 1 . 3.95 . . 0.20 . . . . . . . . . . . 7205 1 22 3JHNHA . 1 1 29 29 THR H H 1 . . 1 1 29 29 THR HA H 1 . 4.53 . . 0.21 . . . . . . . . . . . 7205 1 23 3JHNHA . 1 1 30 30 PHE H H 1 . . 1 1 30 30 PHE HA H 1 . 3.66 . . 0.35 . . . . . . . . . . . 7205 1 24 3JHNHA . 1 1 31 31 ALA H H 1 . . 1 1 31 31 ALA HA H 1 . 2.21 . . 0.19 . . . . . . . . . . . 7205 1 25 3JHNHA . 1 1 32 32 VAL H H 1 . . 1 1 32 32 VAL HA H 1 . 4.87 . . 0.18 . . . . . . . . . . . 7205 1 26 3JHNHA . 1 1 33 33 TYR H H 1 . . 1 1 33 33 TYR HA H 1 . 4.04 . . 0.30 . . . . . . . . . . . 7205 1 27 3JHNHA . 1 1 34 34 VAL H H 1 . . 1 1 34 34 VAL HA H 1 . 3.57 . . 0.30 . . . . . . . . . . . 7205 1 28 3JHNHA . 1 1 35 35 ARG H H 1 . . 1 1 35 35 ARG HA H 1 . 4.83 . . 0.17 . . . . . . . . . . . 7205 1 29 3JHNHA . 1 1 36 36 ARG H H 1 . . 1 1 36 36 ARG HA H 1 . 5.00 . . 0.14 . . . . . . . . . . . 7205 1 30 3JHNHA . 1 1 37 37 LYS H H 1 . . 1 1 37 37 LYS HA H 1 . 6.06 . . 0.12 . . . . . . . . . . . 7205 1 31 3JHNHA . 1 1 38 38 SER H H 1 . . 1 1 38 38 SER HA H 1 . 6.76 . . 0.12 . . . . . . . . . . . 7205 1 32 3JHNHA . 1 1 39 39 ILE H H 1 . . 1 1 39 39 ILE HA H 1 . 7.39 . . 0.10 . . . . . . . . . . . 7205 1 33 3JHNHA . 1 1 40 40 LYS H H 1 . . 1 1 40 40 LYS HA H 1 . 6.85 . . 0.10 . . . . . . . . . . . 7205 1 34 3JHNHA . 1 1 41 41 LYS H H 1 . . 1 1 41 41 LYS HA H 1 . 6.83 . . 0.10 . . . . . . . . . . . 7205 1 35 3JHNHA . 1 1 42 42 LYS H H 1 . . 1 1 42 42 LYS HA H 1 . 6.85 . . 0.10 . . . . . . . . . . . 7205 1 36 3JHNHA . 1 1 43 43 ARG H H 1 . . 1 1 43 43 ARG HA H 1 . 7.42 . . 0.09 . . . . . . . . . . . 7205 1 37 3JHNHA . 1 1 44 44 ALA H H 1 . . 1 1 44 44 ALA HA H 1 . 6.79 . . 0.08 . . . . . . . . . . . 7205 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1_list_1 _Heteronucl_T1_list.Entry_ID 7205 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type 15N _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID . . 1 $sample_1 isotropic 7205 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 40 40 LYS N N 15 0.702800 0.0323500 . . . . . 7205 1 2 . 1 1 11 11 LEU N N 15 0.681300 0.0688000 . . . . . 7205 1 3 . 1 1 10 10 PRO N N 15 1.38400 0.313200 . . . . . 7205 1 4 . 1 1 36 36 ARG N N 15 0.711600 0.0408400 . . . . . 7205 1 5 . 1 1 17 17 ILE N N 15 0.767800 0.0514800 . . . . . 7205 1 6 . 1 1 7 7 ALA N N 15 0.916700 0.0693200 . . . . . 7205 1 7 . 1 1 21 21 PHE N N 15 1.05300 0.0498600 . . . . . 7205 1 8 . 1 1 29 29 THR N N 15 0.982200 0.0659000 . . . . . 7205 1 9 . 1 1 15 15 GLY N N 15 1.09000 0.0244000 . . . . . 7205 1 10 . 1 1 32 32 VAL N N 15 1.01400 0.0823300 . . . . . 7205 1 11 . 1 1 16 16 VAL N N 15 1.09200 0.0163500 . . . . . 7205 1 12 . 1 1 27 27 GLY N N 15 1.02300 0.0728600 . . . . . 7205 1 13 . 1 1 38 38 SER N N 15 1.08000 0.0712200 . . . . . 7205 1 14 . 1 1 30 30 PHE N N 15 1.15300 0.0915700 . . . . . 7205 1 15 . 1 1 14 14 ALA N N 15 1.07100 0.0595700 . . . . . 7205 1 16 . 1 1 13 13 ALA N N 15 1.06900 0.0604700 . . . . . 7205 1 17 . 1 1 18 18 GLY N N 15 1.09500 0.0661300 . . . . . 7205 1 18 . 1 1 12 12 ILE N N 15 1.15600 0.0632100 . . . . . 7205 1 19 . 1 1 19 19 GLY N N 15 1.04100 0.0411600 . . . . . 7205 1 20 . 1 1 26 26 VAL N N 15 1.14300 0.0370700 . . . . . 7205 1 21 . 1 1 37 37 LYS N N 15 1.04400 0.0583000 . . . . . 7205 1 22 . 1 1 25 25 ILE N N 15 1.09000 0.0646400 . . . . . 7205 1 23 . 1 1 6 6 HIS N N 15 1.08300 0.0753500 . . . . . 7205 1 24 . 1 1 28 28 LEU N N 15 1.03500 0.0405500 . . . . . 7205 1 25 . 1 1 9 9 THR N N 15 1.08900 0.0739800 . . . . . 7205 1 26 . 1 1 31 31 ALA N N 15 1.10700 0.103200 . . . . . 7205 1 27 . 1 1 8 8 ARG N N 15 0.943600 0.0753800 . . . . . 7205 1 28 . 1 1 23 23 LEU N N 15 0.950100 0.0421900 . . . . . 7205 1 29 . 1 1 20 20 LEU N N 15 1.01300 0.0391400 . . . . . 7205 1 30 . 1 1 22 22 ILE N N 15 0.882500 0.0372100 . . . . . 7205 1 31 . 1 1 5 5 GLN N N 15 0.750800 0.0245500 . . . . . 7205 1 32 . 1 1 24 24 VAL N N 15 0.686600 0.0227200 . . . . . 7205 1 33 . 1 1 35 35 ARG N N 15 0.663900 0.0345700 . . . . . 7205 1 34 . 1 1 34 34 VAL N N 15 0.721700 0.0428800 . . . . . 7205 1 35 . 1 1 33 33 TYR N N 15 0.821600 0.0558000 . . . . . 7205 1 36 . 1 1 39 39 ILE N N 15 0.825200 0.0185200 . . . . . 7205 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode T2_list_1 _Heteronucl_T2_list.Entry_ID 7205 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $conditions_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type 15N _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units s-1 _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID . . 1 $sample_1 isotropic 7205 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 40 40 LYS N N 15 0.221000 0.0103400 . . . . . . . 7205 1 2 . 1 1 11 11 LEU N N 15 0.167000 0.0184600 . . . . . . . 7205 1 3 . 1 1 10 10 PRO N N 15 0.0677200 0.0527900 . . . . . . . 7205 1 4 . 1 1 36 36 ARG N N 15 0.157900 0.0104000 . . . . . . . 7205 1 5 . 1 1 7 7 ALA N N 15 0.0631400 0.00695900 . . . . . . . 7205 1 6 . 1 1 21 21 PHE N N 15 0.0603700 0.00494200 . . . . . . . 7205 1 7 . 1 1 29 29 THR N N 15 0.0681300 0.00540000 . . . . . . . 7205 1 8 . 1 1 32 32 VAL N N 15 0.0584200 0.00413100 . . . . . . . 7205 1 9 . 1 1 16 16 VAL N N 15 0.0517800 0.00235300 . . . . . . . 7205 1 10 . 1 1 27 27 GLY N N 15 0.0585800 0.00428400 . . . . . . . 7205 1 11 . 1 1 38 38 SER N N 15 0.0557300 0.00544000 . . . . . . . 7205 1 12 . 1 1 30 30 PHE N N 15 0.0481800 0.00422400 . . . . . . . 7205 1 13 . 1 1 14 14 ALA N N 15 0.0525700 0.00318500 . . . . . . . 7205 1 14 . 1 1 13 13 ALA N N 15 0.0525600 0.00373800 . . . . . . . 7205 1 15 . 1 1 18 18 GLY N N 15 0.0548700 0.00317400 . . . . . . . 7205 1 16 . 1 1 12 12 ILE N N 15 0.0568100 0.00359200 . . . . . . . 7205 1 17 . 1 1 19 19 GLY N N 15 0.0576000 0.00137800 . . . . . . . 7205 1 18 . 1 1 26 26 VAL N N 15 0.0497600 0.00277600 . . . . . . . 7205 1 19 . 1 1 37 37 LYS N N 15 0.0496300 0.00406500 . . . . . . . 7205 1 20 . 1 1 25 25 ILE N N 15 0.0609700 0.00284700 . . . . . . . 7205 1 21 . 1 1 6 6 HIS N N 15 0.0614000 0.00277100 . . . . . . . 7205 1 22 . 1 1 28 28 LEU N N 15 0.0586800 0.00251400 . . . . . . . 7205 1 23 . 1 1 9 9 THR N N 15 0.0510200 0.00233400 . . . . . . . 7205 1 24 . 1 1 31 31 ALA N N 15 0.0559500 0.00482100 . . . . . . . 7205 1 25 . 1 1 8 8 ARG N N 15 0.0582000 0.00491600 . . . . . . . 7205 1 26 . 1 1 23 23 LEU N N 15 0.0559500 0.00276300 . . . . . . . 7205 1 27 . 1 1 20 20 LEU N N 15 0.0589400 0.00153700 . . . . . . . 7205 1 28 . 1 1 22 22 ILE N N 15 0.0754300 0.00227700 . . . . . . . 7205 1 29 . 1 1 5 5 GLN N N 15 0.102700 0.00450100 . . . . . . . 7205 1 30 . 1 1 24 24 VAL N N 15 0.156100 0.00287900 . . . . . . . 7205 1 31 . 1 1 35 35 ARG N N 15 0.405800 0.0137100 . . . . . . . 7205 1 32 . 1 1 34 34 VAL N N 15 0.452600 0.0104400 . . . . . . . 7205 1 33 . 1 1 33 33 TYR N N 15 0.570800 0.0296600 . . . . . . . 7205 1 34 . 1 1 39 39 ILE N N 15 0.329500 0.00606400 . . . . . . . 7205 1 stop_ save_