data_7157 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7157 _Entry.Title ; NMR spectroscopy of T4 Lysozyme peptide fragments ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-06-07 _Entry.Accession_date 2006-06-07 _Entry.Last_release_date 2008-11-12 _Entry.Original_release_date 2008-11-12 _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 L. Najbar . V. . 7157 2 D. Craik . J. . 7157 3 J. Wade . D. . 7157 4 M. McLeish . J. . 7157 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 3 7157 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 294 7157 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 . . 2008-11-12 2006-06-07 original author . 7157 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID . 7154 'helix E (lys 92-107)' 7157 . 7155 'helix G (lys 124-137)' 7157 . 7156 'helix H (lys 136-157)' 7157 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7157 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 10801343 _Citation.Full_citation . _Citation.Title 'Identification of initiation sites for T4 lysozyme folding using CD and NMR spectroscopy of peptide fragments' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 39 _Citation.Journal_issue 19 _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 5911 _Citation.Page_last 5920 _Citation.Year 2000 _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 L. Najbar . V. . 7157 1 2 D. Craik . J. . 7157 1 3 J. Wade . D. . 7157 1 4 M. McLeish . J. . 7157 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7157 _Assembly.ID 1 _Assembly.Name 'HELIX F' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _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 'fragment corresponding to Lys Helix F (residues 113-125)' 1 $HELIX_F . . yes unfolded no no . . . 7157 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HELIX_F _Entity.Sf_category entity _Entity.Sf_framecode HELIX_F _Entity.Entry_ID 7157 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'helix F (lys 113-125)' _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 GFTNSLRMLQQKR _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 13 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _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_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 1 GLY . 7157 1 2 2 PHE . 7157 1 3 3 THR . 7157 1 4 4 ASN . 7157 1 5 5 SER . 7157 1 6 6 LEU . 7157 1 7 7 ARG . 7157 1 8 8 MET . 7157 1 9 9 LEU . 7157 1 10 10 GLN . 7157 1 11 11 GLN . 7157 1 12 12 LYS . 7157 1 13 13 ARG . 7157 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 7157 1 . PHE 2 2 7157 1 . THR 3 3 7157 1 . ASN 4 4 7157 1 . SER 5 5 7157 1 . LEU 6 6 7157 1 . ARG 7 7 7157 1 . MET 8 8 7157 1 . LEU 9 9 7157 1 . GLN 10 10 7157 1 . GLN 11 11 7157 1 . LYS 12 12 7157 1 . ARG 13 13 7157 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 7157 _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 $HELIX_F . . . no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7157 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 7157 _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 $HELIX_F . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7157 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7157 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _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 'helix F (lys 113-125)' . . . 1 $HELIX_F . . . 1 2 mM . . . . 7157 1 2 H2O . . . . . . . 90 . . % . . . . 7157 1 3 D2O . . . . . . . 10 . . % . . . . 7157 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7157 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _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 'helix F (lys 113-125)' . . . 1 $HELIX_F . . . 1 2 mM . . . . 7157 2 2 TFE . . . . . . . 50 . . % . . . . 7157 2 3 H2O . . . . . . . 40 . . % . . . . 7157 2 4 D2O . . . . . . . 10 . . % . . . . 7157 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 7157 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _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 'helix F (lys 113-125)' . . . 1 $HELIX_F . . . 1 2 mM . . . . 7157 3 2 H2O . . . . . . . 90 . . % . . . . 7157 3 3 D2O . . . . . . . 10 . . % . . . . 7157 3 4 SDS . . . . . . . 200 . . mM . . . . 7157 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 7157 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH . . . 7157 1 temperature 278 0 K 7157 1 stop_ save_ save_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_2 _Sample_condition_list.Entry_ID 7157 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH . . . 7157 2 temperature 283 0 K 7157 2 stop_ save_ save_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_3 _Sample_condition_list.Entry_ID 7157 _Sample_condition_list.ID 3 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH . . . 7157 3 temperature 303 0 K 7157 3 stop_ 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 7157 _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 H 1 TSP 'methyl protons' . . . . ppm 0.00 external direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 7157 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 7157 _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 7157 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 2 2 PHE H H 1 8.78 . . . . . . . 2 PHE H . 7157 1 2 . 1 1 2 2 PHE HA H 1 4.78 . . . . . . . 2 PHE HA . 7157 1 3 . 1 1 2 2 PHE HB2 H 1 3.17 . . . . . . . 2 PHE HB2 . 7157 1 4 . 1 1 2 2 PHE HB3 H 1 3.04 . . . . . . . 2 PHE HB3 . 7157 1 5 . 1 1 2 2 PHE HD1 H 1 7.28 . . . . . . . 2 PHE HD1 . 7157 1 6 . 1 1 2 2 PHE HD2 H 1 7.28 . . . . . . . 2 PHE HD2 . 7157 1 7 . 1 1 2 2 PHE HE1 H 1 7.38 . . . . . . . 2 PHE HE1 . 7157 1 8 . 1 1 2 2 PHE HE2 H 1 7.38 . . . . . . . 2 PHE HE2 . 7157 1 9 . 1 1 2 2 PHE HZ H 1 7.35 . . . . . . . 2 PHE HZ . 7157 1 10 . 1 1 3 3 THR H H 1 8.40 . . . . . . . 3 THR H . 7157 1 11 . 1 1 3 3 THR HA H 1 4.28 . . . . . . . 3 THR HA . 7157 1 12 . 1 1 3 3 THR HB H 1 4.09 . . . . . . . 3 THR HB . 7157 1 13 . 1 1 3 3 THR HG21 H 1 1.18 . . . . . . . 3 THR HG1 . 7157 1 14 . 1 1 3 3 THR HG22 H 1 1.18 . . . . . . . 3 THR HG1 . 7157 1 15 . 1 1 3 3 THR HG23 H 1 1.18 . . . . . . . 3 THR HG1 . 7157 1 16 . 1 1 4 4 ASN H H 1 8.61 . . . . . . . 4 ASN H . 7157 1 17 . 1 1 4 4 ASN HA H 1 4.68 . . . . . . . 4 ASN HA . 7157 1 18 . 1 1 4 4 ASN HB2 H 1 2.87 . . . . . . . 4 ASN HB2 . 7157 1 19 . 1 1 4 4 ASN HB3 H 1 2.80 . . . . . . . 4 ASN HB3 . 7157 1 20 . 1 1 4 4 ASN HD21 H 1 7.78 . . . . . . . 4 ASN HD21 . 7157 1 21 . 1 1 5 5 SER H H 1 8.40 . . . . . . . 5 SER H . 7157 1 22 . 1 1 5 5 SER HA H 1 4.30 . . . . . . . 5 SER HA . 7157 1 23 . 1 1 5 5 SER HB2 H 1 3.92 . . . . . . . 5 SER HB2 . 7157 1 24 . 1 1 5 5 SER HB3 H 1 3.87 . . . . . . . 5 SER HB3 . 7157 1 25 . 1 1 6 6 LEU H H 1 8.36 . . . . . . . 6 LEU H . 7157 1 26 . 1 1 6 6 LEU HA H 1 4.25 . . . . . . . 6 LEU HA . 7157 1 27 . 1 1 6 6 LEU HB2 H 1 1.66 . . . . . . . 6 LEU HB2 . 7157 1 28 . 1 1 6 6 LEU HB3 H 1 1.66 . . . . . . . 6 LEU HB3 . 7157 1 29 . 1 1 6 6 LEU HG H 1 1.62 . . . . . . . 6 LEU HG . 7157 1 30 . 1 1 6 6 LEU HD11 H 1 0.94 . . . . . . . 6 LEU HD1 . 7157 1 31 . 1 1 6 6 LEU HD12 H 1 0.94 . . . . . . . 6 LEU HD1 . 7157 1 32 . 1 1 6 6 LEU HD13 H 1 0.94 . . . . . . . 6 LEU HD1 . 7157 1 33 . 1 1 6 6 LEU HD21 H 1 0.88 . . . . . . . 6 LEU HD2 . 7157 1 34 . 1 1 6 6 LEU HD22 H 1 0.88 . . . . . . . 6 LEU HD2 . 7157 1 35 . 1 1 6 6 LEU HD23 H 1 0.88 . . . . . . . 6 LEU HD2 . 7157 1 36 . 1 1 7 7 ARG H H 1 8.30 . . . . . . . 7 ARG H . 7157 1 37 . 1 1 7 7 ARG HA H 1 4.23 . . . . . . . 7 ARG HA . 7157 1 38 . 1 1 7 7 ARG HB2 H 1 1.85 . . . . . . . 7 ARG HB2 . 7157 1 39 . 1 1 7 7 ARG HB3 H 1 1.73 . . . . . . . 7 ARG HB3 . 7157 1 40 . 1 1 7 7 ARG HG2 H 1 1.62 . . . . . . . 7 ARG HG2 . 7157 1 41 . 1 1 7 7 ARG HG3 H 1 1.62 . . . . . . . 7 ARG HG3 . 7157 1 42 . 1 1 7 7 ARG HD2 H 1 3.22 . . . . . . . 7 ARG HD2 . 7157 1 43 . 1 1 7 7 ARG HD3 H 1 3.22 . . . . . . . 7 ARG HD3 . 7157 1 44 . 1 1 7 7 ARG HH11 H 1 7.26 . . . . . . . 7 ARG NH1 . 7157 1 45 . 1 1 7 7 ARG HH12 H 1 7.24 . . . . . . . 7 ARG NH2 . 7157 1 46 . 1 1 8 8 MET H H 1 8.37 . . . . . . . 8 MET H . 7157 1 47 . 1 1 8 8 MET HA H 1 4.45 . . . . . . . 8 MET HA . 7157 1 48 . 1 1 8 8 MET HB2 H 1 2.10 . . . . . . . 8 MET HB2 . 7157 1 49 . 1 1 8 8 MET HB3 H 1 2.00 . . . . . . . 8 MET HB3 . 7157 1 50 . 1 1 8 8 MET HG2 H 1 2.61 . . . . . . . 8 MET HG2 . 7157 1 51 . 1 1 8 8 MET HG3 H 1 2.54 . . . . . . . 8 MET HG3 . 7157 1 52 . 1 1 8 8 MET HE1 H 1 2.12 . . . . . . . 8 MET HE . 7157 1 53 . 1 1 8 8 MET HE2 H 1 2.12 . . . . . . . 8 MET HE . 7157 1 54 . 1 1 8 8 MET HE3 H 1 2.12 . . . . . . . 8 MET HE . 7157 1 55 . 1 1 9 9 LEU H H 1 8.34 . . . . . . . 9 LEU H . 7157 1 56 . 1 1 9 9 LEU HA H 1 4.31 . . . . . . . 9 LEU HA . 7157 1 57 . 1 1 9 9 LEU HB2 H 1 1.66 . . . . . . . 9 LEU HB2 . 7157 1 58 . 1 1 9 9 LEU HB3 H 1 1.66 . . . . . . . 9 LEU HB3 . 7157 1 59 . 1 1 9 9 LEU HG H 1 1.62 . . . . . . . 9 LEU HG . 7157 1 60 . 1 1 9 9 LEU HD11 H 1 0.94 . . . . . . . 9 LEU HD1 . 7157 1 61 . 1 1 9 9 LEU HD12 H 1 0.94 . . . . . . . 9 LEU HD1 . 7157 1 62 . 1 1 9 9 LEU HD13 H 1 0.94 . . . . . . . 9 LEU HD1 . 7157 1 63 . 1 1 9 9 LEU HD21 H 1 0.88 . . . . . . . 9 LEU HD2 . 7157 1 64 . 1 1 9 9 LEU HD22 H 1 0.88 . . . . . . . 9 LEU HD2 . 7157 1 65 . 1 1 9 9 LEU HD23 H 1 0.88 . . . . . . . 9 LEU HD2 . 7157 1 66 . 1 1 10 10 GLN H H 1 8.43 . . . . . . . 10 GLN H . 7157 1 67 . 1 1 10 10 GLN HA H 1 4.29 . . . . . . . 10 GLN HA . 7157 1 68 . 1 1 10 10 GLN HB2 H 1 2.11 . . . . . . . 10 GLN HB2 . 7157 1 69 . 1 1 10 10 GLN HB3 H 1 2.00 . . . . . . . 10 GLN HB3 . 7157 1 70 . 1 1 10 10 GLN HG2 H 1 2.39 . . . . . . . 10 GLN HG2 . 7157 1 71 . 1 1 10 10 GLN HG3 H 1 2.39 . . . . . . . 10 GLN HG3 . 7157 1 72 . 1 1 10 10 GLN HE21 H 1 7.70 . . . . . . . 10 GLN HE21 . 7157 1 73 . 1 1 10 10 GLN HE22 H 1 7.67 . . . . . . . 10 GLN HE22 . 7157 1 74 . 1 1 11 11 GLN H H 1 8.49 . . . . . . . 11 GLN H . 7157 1 75 . 1 1 11 11 GLN HA H 1 4.29 . . . . . . . 11 GLN HA . 7157 1 76 . 1 1 11 11 GLN HB2 H 1 2.11 . . . . . . . 11 GLN HB2 . 7157 1 77 . 1 1 11 11 GLN HB3 H 1 2.00 . . . . . . . 11 GLN HB3 . 7157 1 78 . 1 1 11 11 GLN HG2 H 1 2.39 . . . . . . . 11 GLN HG2 . 7157 1 79 . 1 1 11 11 GLN HG3 H 1 2.39 . . . . . . . 11 GLN HG3 . 7157 1 80 . 1 1 11 11 GLN HE21 H 1 7.70 . . . . . . . 11 GLN HE21 . 7157 1 81 . 1 1 11 11 GLN HE22 H 1 7.67 . . . . . . . 11 GLN HE22 . 7157 1 82 . 1 1 12 12 LYS H H 1 8.55 . . . . . . . 12 LYS H . 7157 1 83 . 1 1 12 12 LYS HA H 1 4.29 . . . . . . . 12 LYS HA . 7157 1 84 . 1 1 12 12 LYS HB2 H 1 1.86 . . . . . . . 12 LYS HB2 . 7157 1 85 . 1 1 12 12 LYS HB3 H 1 1.78 . . . . . . . 12 LYS HB3 . 7157 1 86 . 1 1 12 12 LYS HG2 H 1 1.46 . . . . . . . 12 LYS HG2 . 7157 1 87 . 1 1 12 12 LYS HG3 H 1 1.46 . . . . . . . 12 LYS HG3 . 7157 1 88 . 1 1 12 12 LYS HD2 H 1 1.70 . . . . . . . 12 LYS HD2 . 7157 1 89 . 1 1 12 12 LYS HD3 H 1 1.70 . . . . . . . 12 LYS HD3 . 7157 1 90 . 1 1 12 12 LYS HE2 H 1 3.02 . . . . . . . 12 LYS HE2 . 7157 1 91 . 1 1 12 12 LYS HE3 H 1 3.02 . . . . . . . 12 LYS HE3 . 7157 1 92 . 1 1 12 12 LYS HZ1 H 1 7.60 . . . . . . . 12 LYS HZ . 7157 1 93 . 1 1 12 12 LYS HZ2 H 1 7.60 . . . . . . . 12 LYS HZ . 7157 1 94 . 1 1 12 12 LYS HZ3 H 1 7.60 . . . . . . . 12 LYS HZ . 7157 1 95 . 1 1 13 13 ARG H H 1 8.25 . . . . . . . 13 ARG H . 7157 1 96 . 1 1 13 13 ARG HA H 1 4.18 . . . . . . . 13 ARG HA . 7157 1 97 . 1 1 13 13 ARG HB2 H 1 1.85 . . . . . . . 13 ARG HB2 . 7157 1 98 . 1 1 13 13 ARG HB3 H 1 1.73 . . . . . . . 13 ARG HB3 . 7157 1 99 . 1 1 13 13 ARG HG2 H 1 1.62 . . . . . . . 13 ARG HG2 . 7157 1 100 . 1 1 13 13 ARG HG3 H 1 1.62 . . . . . . . 13 ARG HG3 . 7157 1 101 . 1 1 13 13 ARG HD2 H 1 3.22 . . . . . . . 13 ARG HD2 . 7157 1 102 . 1 1 13 13 ARG HD3 H 1 3.22 . . . . . . . 13 ARG HD3 . 7157 1 103 . 1 1 13 13 ARG HH11 H 1 7.26 . . . . . . . 13 ARG NH1 . 7157 1 104 . 1 1 13 13 ARG HH12 H 1 7.24 . . . . . . . 13 ARG NH2 . 7157 1 stop_ save_ save_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 7157 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_2 _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 . . 2 $sample_2 isotropic 7157 2 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 GLY HA2 H 1 3.96 . . . . . . . 1 GLY HA2 . 7157 2 2 . 1 1 1 1 GLY HA3 H 1 3.86 . . . . . . . 1 GLY HA3 . 7157 2 3 . 1 1 2 2 PHE H H 1 8.79 . . . . . . . 2 PHE H . 7157 2 4 . 1 1 2 2 PHE HA H 1 4.67 . . . . . . . 2 PHE HA . 7157 2 5 . 1 1 2 2 PHE HB2 H 1 3.18 . . . . . . . 2 PHE HB2 . 7157 2 6 . 1 1 2 2 PHE HD1 H 1 7.30 . . . . . . . 2 PHE HD1 . 7157 2 7 . 1 1 2 2 PHE HD2 H 1 7.30 . . . . . . . 2 PHE HD2 . 7157 2 8 . 1 1 2 2 PHE HE1 H 1 7.33 . . . . . . . 2 PHE HE1 . 7157 2 9 . 1 1 2 2 PHE HE2 H 1 7.33 . . . . . . . 2 PHE HE2 . 7157 2 10 . 1 1 2 2 PHE HZ H 1 7.36 . . . . . . . 2 PHE HZ . 7157 2 11 . 1 1 3 3 THR H H 1 8.13 . . . . . . . 3 THR H . 7157 2 12 . 1 1 3 3 THR HA H 1 4.24 . . . . . . . 3 THR HA . 7157 2 13 . 1 1 3 3 THR HB H 1 4.15 . . . . . . . 3 THR HB . 7157 2 14 . 1 1 3 3 THR HG21 H 1 1.25 . . . . . . . 3 THR HG1 . 7157 2 15 . 1 1 3 3 THR HG22 H 1 1.25 . . . . . . . 3 THR HG1 . 7157 2 16 . 1 1 3 3 THR HG23 H 1 1.25 . . . . . . . 3 THR HG1 . 7157 2 17 . 1 1 4 4 ASN H H 1 8.19 . . . . . . . 4 ASN H . 7157 2 18 . 1 1 4 4 ASN HA H 1 4.65 . . . . . . . 4 ASN HA . 7157 2 19 . 1 1 4 4 ASN HB2 H 1 2.89 . . . . . . . 4 ASN HB2 . 7157 2 20 . 1 1 4 4 ASN HD21 H 1 7.70 . . . . . . . 4 ASN HD21 . 7157 2 21 . 1 1 4 4 ASN HD22 H 1 6.90 . . . . . . . 4 ASN HD22 . 7157 2 22 . 1 1 5 5 SER H H 1 8.13 . . . . . . . 5 SER H . 7157 2 23 . 1 1 5 5 SER HA H 1 4.35 . . . . . . . 5 SER HA . 7157 2 24 . 1 1 5 5 SER HB2 H 1 4.00 . . . . . . . 5 SER HB2 . 7157 2 25 . 1 1 6 6 LEU H H 1 8.03 . . . . . . . 6 LEU H . 7157 2 26 . 1 1 6 6 LEU HA H 1 4.19 . . . . . . . 6 LEU HA . 7157 2 27 . 1 1 6 6 LEU HB2 H 1 1.67 . . . . . . . 6 LEU HB2 . 7157 2 28 . 1 1 6 6 LEU HG H 1 1.63 . . . . . . . 6 LEU HG . 7157 2 29 . 1 1 6 6 LEU HD11 H 1 0.94 . . . . . . . 6 LEU HD1 . 7157 2 30 . 1 1 6 6 LEU HD12 H 1 0.94 . . . . . . . 6 LEU HD1 . 7157 2 31 . 1 1 6 6 LEU HD13 H 1 0.94 . . . . . . . 6 LEU HD1 . 7157 2 32 . 1 1 6 6 LEU HD21 H 1 0.88 . . . . . . . 6 LEU HD2 . 7157 2 33 . 1 1 6 6 LEU HD22 H 1 0.88 . . . . . . . 6 LEU HD2 . 7157 2 34 . 1 1 6 6 LEU HD23 H 1 0.88 . . . . . . . 6 LEU HD2 . 7157 2 35 . 1 1 7 7 ARG H H 1 7.92 . . . . . . . 7 ARG H . 7157 2 36 . 1 1 7 7 ARG HA H 1 4.13 . . . . . . . 7 ARG HA . 7157 2 37 . 1 1 7 7 ARG HB2 H 1 1.93 . . . . . . . 7 ARG HB2 . 7157 2 38 . 1 1 7 7 ARG HB3 H 1 1.80 . . . . . . . 7 ARG HB3 . 7157 2 39 . 1 1 7 7 ARG HG2 H 1 1.68 . . . . . . . 7 ARG HG2 . 7157 2 40 . 1 1 7 7 ARG HG3 H 1 1.68 . . . . . . . 7 ARG HG3 . 7157 2 41 . 1 1 7 7 ARG HD2 H 1 3.24 . . . . . . . 7 ARG HD2 . 7157 2 42 . 1 1 7 7 ARG HD3 H 1 3.24 . . . . . . . 7 ARG HD3 . 7157 2 43 . 1 1 7 7 ARG HH11 H 1 7.23 . . . . . . . 7 ARG NH1 . 7157 2 44 . 1 1 8 8 MET H H 1 7.90 . . . . . . . 8 MET H . 7157 2 45 . 1 1 8 8 MET HA H 1 4.32 . . . . . . . 8 MET HA . 7157 2 46 . 1 1 8 8 MET HB2 H 1 2.22 . . . . . . . 8 MET HB2 . 7157 2 47 . 1 1 8 8 MET HG2 H 1 2.71 . . . . . . . 8 MET HG2 . 7157 2 48 . 1 1 8 8 MET HG3 H 1 2.61 . . . . . . . 8 MET HG3 . 7157 2 49 . 1 1 9 9 LEU H H 1 7.96 . . . . . . . 9 LEU H . 7157 2 50 . 1 1 9 9 LEU HA H 1 4.23 . . . . . . . 9 LEU HA . 7157 2 51 . 1 1 9 9 LEU HB2 H 1 1.90 . . . . . . . 9 LEU HB2 . 7157 2 52 . 1 1 9 9 LEU HG H 1 1.80 . . . . . . . 9 LEU HG . 7157 2 53 . 1 1 9 9 LEU HD11 H 1 0.95 . . . . . . . 9 LEU HD1 . 7157 2 54 . 1 1 9 9 LEU HD12 H 1 0.95 . . . . . . . 9 LEU HD1 . 7157 2 55 . 1 1 9 9 LEU HD13 H 1 0.95 . . . . . . . 9 LEU HD1 . 7157 2 56 . 1 1 9 9 LEU HD21 H 1 0.92 . . . . . . . 9 LEU HD2 . 7157 2 57 . 1 1 9 9 LEU HD22 H 1 0.92 . . . . . . . 9 LEU HD2 . 7157 2 58 . 1 1 9 9 LEU HD23 H 1 0.92 . . . . . . . 9 LEU HD2 . 7157 2 59 . 1 1 10 10 GLN H H 1 7.98 . . . . . . . 10 GLN H . 7157 2 60 . 1 1 10 10 GLN HA H 1 4.22 . . . . . . . 10 GLN HA . 7157 2 61 . 1 1 10 10 GLN HB2 H 1 2.20 . . . . . . . 10 GLN HB2 . 7157 2 62 . 1 1 10 10 GLN HG2 H 1 2.56 . . . . . . . 10 GLN HG2 . 7157 2 63 . 1 1 10 10 GLN HG3 H 1 2.43 . . . . . . . 10 GLN HG3 . 7157 2 64 . 1 1 10 10 GLN HE21 H 1 7.54 . . . . . . . 10 GLN HE21 . 7157 2 65 . 1 1 10 10 GLN HE22 H 1 6.73 . . . . . . . 10 GLN HE22 . 7157 2 66 . 1 1 11 11 GLN H H 1 7.87 . . . . . . . 11 GLN H . 7157 2 67 . 1 1 11 11 GLN HA H 1 4.32 . . . . . . . 11 GLN HA . 7157 2 68 . 1 1 11 11 GLN HB2 H 1 2.23 . . . . . . . 11 GLN HB2 . 7157 2 69 . 1 1 11 11 GLN HB3 H 1 2.13 . . . . . . . 11 GLN HB3 . 7157 2 70 . 1 1 11 11 GLN HG2 H 1 2.50 . . . . . . . 11 GLN HG2 . 7157 2 71 . 1 1 11 11 GLN HE21 H 1 7.54 . . . . . . . 11 GLN HE21 . 7157 2 72 . 1 1 11 11 GLN HE22 H 1 6.73 . . . . . . . 11 GLN HE22 . 7157 2 73 . 1 1 12 12 LYS H H 1 8.06 . . . . . . . 12 LYS H . 7157 2 74 . 1 1 12 12 LYS HA H 1 4.36 . . . . . . . 12 LYS HA . 7157 2 75 . 1 1 12 12 LYS HB2 H 1 1.97 . . . . . . . 12 LYS HB2 . 7157 2 76 . 1 1 12 12 LYS HB3 H 1 1.90 . . . . . . . 12 LYS HB3 . 7157 2 77 . 1 1 12 12 LYS HG2 H 1 1.54 . . . . . . . 12 LYS HG2 . 7157 2 78 . 1 1 12 12 LYS HG3 H 1 1.54 . . . . . . . 12 LYS HG3 . 7157 2 79 . 1 1 12 12 LYS HD2 H 1 1.75 . . . . . . . 12 LYS HD2 . 7157 2 80 . 1 1 12 12 LYS HD3 H 1 1.75 . . . . . . . 12 LYS HD3 . 7157 2 81 . 1 1 12 12 LYS HE2 H 1 3.04 . . . . . . . 12 LYS HE2 . 7157 2 82 . 1 1 12 12 LYS HE3 H 1 3.04 . . . . . . . 12 LYS HE3 . 7157 2 83 . 1 1 12 12 LYS HZ1 H 1 7.67 . . . . . . . 12 LYS HZ . 7157 2 84 . 1 1 12 12 LYS HZ2 H 1 7.67 . . . . . . . 12 LYS HZ . 7157 2 85 . 1 1 12 12 LYS HZ3 H 1 7.67 . . . . . . . 12 LYS HZ . 7157 2 86 . 1 1 13 13 ARG H H 1 8.08 . . . . . . . 13 ARG H . 7157 2 87 . 1 1 13 13 ARG HA H 1 4.37 . . . . . . . 13 ARG HA . 7157 2 88 . 1 1 13 13 ARG HB2 H 1 1.97 . . . . . . . 13 ARG HB2 . 7157 2 89 . 1 1 13 13 ARG HB3 H 1 1.81 . . . . . . . 13 ARG HB3 . 7157 2 90 . 1 1 13 13 ARG HG2 H 1 1.70 . . . . . . . 13 ARG HG2 . 7157 2 91 . 1 1 13 13 ARG HG3 H 1 1.70 . . . . . . . 13 ARG HG3 . 7157 2 92 . 1 1 13 13 ARG HD2 H 1 3.24 . . . . . . . 13 ARG HD2 . 7157 2 93 . 1 1 13 13 ARG HD3 H 1 3.24 . . . . . . . 13 ARG HD3 . 7157 2 94 . 1 1 13 13 ARG HH11 H 1 7.25 . . . . . . . 13 ARG NH1 . 7157 2 stop_ save_ save_chem_shift_list_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_3 _Assigned_chem_shift_list.Entry_ID 7157 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Sample_condition_list_ID 3 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_3 _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 . . 3 $sample_3 isotropic 7157 3 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 GLY HA2 H 1 4.06 . . . . . . A 1 GLY HA2 . 7157 3 2 . 1 1 1 1 GLY HA3 H 1 3.93 . . . . . . A 1 GLY HA3 . 7157 3 3 . 1 1 2 2 PHE H H 1 8.75 . . . . . . A 2 PHE H . 7157 3 4 . 1 1 2 2 PHE HA H 1 4.52 . . . . . . A 2 PHE HA . 7157 3 5 . 1 1 2 2 PHE HB2 H 1 3.23 . . . . . . A 2 PHE HB2 . 7157 3 6 . 1 1 2 2 PHE HB3 H 1 3.18 . . . . . . A 2 PHE HB3 . 7157 3 7 . 1 1 2 2 PHE HD1 H 1 7.17 . . . . . . A 2 PHE HD1 . 7157 3 8 . 1 1 2 2 PHE HD2 H 1 7.17 . . . . . . A 2 PHE HD2 . 7157 3 9 . 1 1 2 2 PHE HE1 H 1 7.28 . . . . . . A 2 PHE HE1 . 7157 3 10 . 1 1 2 2 PHE HE2 H 1 7.28 . . . . . . A 2 PHE HE2 . 7157 3 11 . 1 1 2 2 PHE HZ H 1 7.25 . . . . . . A 2 PHE HZ . 7157 3 12 . 1 1 3 3 THR H H 1 8.34 . . . . . . A 3 THR H . 7157 3 13 . 1 1 3 3 THR HA H 1 4.21 . . . . . . A 3 THR HA . 7157 3 14 . 1 1 3 3 THR HB H 1 3.85 . . . . . . A 3 THR HB . 7157 3 15 . 1 1 3 3 THR HG21 H 1 1.25 . . . . . . A 3 THR HG1 . 7157 3 16 . 1 1 3 3 THR HG22 H 1 1.25 . . . . . . A 3 THR HG1 . 7157 3 17 . 1 1 3 3 THR HG23 H 1 1.25 . . . . . . A 3 THR HG1 . 7157 3 18 . 1 1 4 4 ASN H H 1 7.97 . . . . . . A 4 ASN H . 7157 3 19 . 1 1 4 4 ASN HA H 1 4.53 . . . . . . A 4 ASN HA . 7157 3 20 . 1 1 4 4 ASN HB2 H 1 2.86 . . . . . . A 4 ASN HB2 . 7157 3 21 . 1 1 4 4 ASN HD21 H 1 7.74 . . . . . . A 4 ASN HD21 . 7157 3 22 . 1 1 4 4 ASN HD22 H 1 6.96 . . . . . . A 4 ASN HD22 . 7157 3 23 . 1 1 5 5 SER H H 1 8.04 . . . . . . A 5 SER H . 7157 3 24 . 1 1 5 5 SER HA H 1 4.29 . . . . . . A 5 SER HA . 7157 3 25 . 1 1 5 5 SER HB2 H 1 3.98 . . . . . . A 5 SER HB2 . 7157 3 26 . 1 1 5 5 SER HB3 H 1 3.86 . . . . . . A 5 SER HB3 . 7157 3 27 . 1 1 6 6 LEU H H 1 7.95 . . . . . . A 6 LEU H . 7157 3 28 . 1 1 6 6 LEU HA H 1 4.05 . . . . . . A 6 LEU HA . 7157 3 29 . 1 1 6 6 LEU HB2 H 1 1.73 . . . . . . A 6 LEU HB2 . 7157 3 30 . 1 1 6 6 LEU HB3 H 1 1.53 . . . . . . A 6 LEU HB3 . 7157 3 31 . 1 1 6 6 LEU HG H 1 1.53 . . . . . . A 6 LEU HG . 7157 3 32 . 1 1 6 6 LEU HD11 H 1 0.85 . . . . . . A 6 LEU HD1 . 7157 3 33 . 1 1 6 6 LEU HD12 H 1 0.85 . . . . . . A 6 LEU HD1 . 7157 3 34 . 1 1 6 6 LEU HD13 H 1 0.85 . . . . . . A 6 LEU HD1 . 7157 3 35 . 1 1 6 6 LEU HD21 H 1 0.82 . . . . . . A 6 LEU HD2 . 7157 3 36 . 1 1 6 6 LEU HD22 H 1 0.82 . . . . . . A 6 LEU HD2 . 7157 3 37 . 1 1 6 6 LEU HD23 H 1 0.82 . . . . . . A 6 LEU HD2 . 7157 3 38 . 1 1 7 7 ARG H H 1 7.92 . . . . . . A 7 ARG H . 7157 3 39 . 1 1 7 7 ARG HA H 1 4.08 . . . . . . A 7 ARG HA . 7157 3 40 . 1 1 7 7 ARG HB2 H 1 1.96 . . . . . . A 7 ARG HB2 . 7157 3 41 . 1 1 7 7 ARG HB3 H 1 1.67 . . . . . . A 7 ARG HB3 . 7157 3 42 . 1 1 7 7 ARG HG2 H 1 1.80 . . . . . . A 7 ARG HG2 . 7157 3 43 . 1 1 7 7 ARG HG3 H 1 1.80 . . . . . . A 7 ARG HG3 . 7157 3 44 . 1 1 7 7 ARG HD2 H 1 3.20 . . . . . . A 7 ARG HD2 . 7157 3 45 . 1 1 7 7 ARG HD3 H 1 3.20 . . . . . . A 7 ARG HD3 . 7157 3 46 . 1 1 8 8 MET H H 1 7.94 . . . . . . A 8 MET H . 7157 3 47 . 1 1 8 8 MET HA H 1 4.26 . . . . . . A 8 MET HA . 7157 3 48 . 1 1 8 8 MET HB2 H 1 2.25 . . . . . . A 8 MET HB2 . 7157 3 49 . 1 1 8 8 MET HG2 H 1 2.74 . . . . . . A 8 MET HG2 . 7157 3 50 . 1 1 8 8 MET HG3 H 1 2.60 . . . . . . A 8 MET HG3 . 7157 3 51 . 1 1 9 9 LEU H H 1 7.88 . . . . . . A 9 LEU H . 7157 3 52 . 1 1 9 9 LEU HA H 1 4.09 . . . . . . A 9 LEU HA . 7157 3 53 . 1 1 9 9 LEU HB2 H 1 1.97 . . . . . . A 9 LEU HB2 . 7157 3 54 . 1 1 9 9 LEU HB3 H 1 1.89 . . . . . . A 9 LEU HB3 . 7157 3 55 . 1 1 9 9 LEU HG H 1 1.68 . . . . . . A 9 LEU HG . 7157 3 56 . 1 1 9 9 LEU HD11 H 1 0.95 . . . . . . A 9 LEU HD1 . 7157 3 57 . 1 1 9 9 LEU HD12 H 1 0.95 . . . . . . A 9 LEU HD1 . 7157 3 58 . 1 1 9 9 LEU HD13 H 1 0.95 . . . . . . A 9 LEU HD1 . 7157 3 59 . 1 1 9 9 LEU HD21 H 1 0.90 . . . . . . A 9 LEU HD2 . 7157 3 60 . 1 1 9 9 LEU HD22 H 1 0.90 . . . . . . A 9 LEU HD2 . 7157 3 61 . 1 1 9 9 LEU HD23 H 1 0.90 . . . . . . A 9 LEU HD2 . 7157 3 62 . 1 1 10 10 GLN H H 1 8.02 . . . . . . A 10 GLN H . 7157 3 63 . 1 1 10 10 GLN HA H 1 4.04 . . . . . . A 10 GLN HA . 7157 3 64 . 1 1 10 10 GLN HB2 H 1 2.26 . . . . . . A 10 GLN HB2 . 7157 3 65 . 1 1 10 10 GLN HB3 H 1 2.11 . . . . . . A 10 GLN HB3 . 7157 3 66 . 1 1 10 10 GLN HG2 H 1 2.47 . . . . . . A 10 GLN HG2 . 7157 3 67 . 1 1 10 10 GLN HG3 H 1 2.39 . . . . . . A 10 GLN HG3 . 7157 3 68 . 1 1 10 10 GLN HE21 H 1 7.50 . . . . . . A 10 GLN HE21 . 7157 3 69 . 1 1 10 10 GLN HE22 H 1 6.80 . . . . . . A 10 GLN HE22 . 7157 3 70 . 1 1 11 11 GLN H H 1 7.79 . . . . . . A 11 GLN H . 7157 3 71 . 1 1 11 11 GLN HA H 1 4.19 . . . . . . A 11 GLN HA . 7157 3 72 . 1 1 11 11 GLN HB2 H 1 2.14 . . . . . . A 11 GLN HB2 . 7157 3 73 . 1 1 11 11 GLN HG2 H 1 2.53 . . . . . . A 11 GLN HG2 . 7157 3 74 . 1 1 11 11 GLN HG3 H 1 2.47 . . . . . . A 11 GLN HG3 . 7157 3 75 . 1 1 11 11 GLN HE21 H 1 7.50 . . . . . . A 11 GLN HE21 . 7157 3 76 . 1 1 11 11 GLN HE22 H 1 6.80 . . . . . . A 11 GLN HE22 . 7157 3 77 . 1 1 12 12 LYS H H 1 7.81 . . . . . . A 12 LYS H . 7157 3 78 . 1 1 12 12 LYS HA H 1 4.29 . . . . . . A 12 LYS HA . 7157 3 79 . 1 1 12 12 LYS HB2 H 1 1.94 . . . . . . A 12 LYS HB2 . 7157 3 80 . 1 1 12 12 LYS HG2 H 1 1.54 . . . . . . A 12 LYS HG2 . 7157 3 81 . 1 1 12 12 LYS HG3 H 1 1.54 . . . . . . A 12 LYS HG3 . 7157 3 82 . 1 1 12 12 LYS HD2 H 1 1.71 . . . . . . A 12 LYS HD2 . 7157 3 83 . 1 1 12 12 LYS HD3 H 1 1.71 . . . . . . A 12 LYS HD3 . 7157 3 84 . 1 1 12 12 LYS HE2 H 1 3.01 . . . . . . A 12 LYS HE2 . 7157 3 85 . 1 1 12 12 LYS HE3 H 1 3.01 . . . . . . A 12 LYS HE3 . 7157 3 86 . 1 1 12 12 LYS HZ1 H 1 7.48 . . . . . . A 12 LYS HZ . 7157 3 87 . 1 1 12 12 LYS HZ2 H 1 7.48 . . . . . . A 12 LYS HZ . 7157 3 88 . 1 1 12 12 LYS HZ3 H 1 7.48 . . . . . . A 12 LYS HZ . 7157 3 89 . 1 1 13 13 ARG H H 1 7.63 . . . . . . A 13 ARG H . 7157 3 90 . 1 1 13 13 ARG HA H 1 4.24 . . . . . . A 13 ARG HA . 7157 3 91 . 1 1 13 13 ARG HB2 H 1 1.83 . . . . . . A 13 ARG HB2 . 7157 3 92 . 1 1 13 13 ARG HG2 H 1 1.82 . . . . . . A 13 ARG HG2 . 7157 3 93 . 1 1 13 13 ARG HG3 H 1 1.82 . . . . . . A 13 ARG HG3 . 7157 3 94 . 1 1 13 13 ARG HD2 H 1 3.20 . . . . . . A 13 ARG HD2 . 7157 3 95 . 1 1 13 13 ARG HD3 H 1 3.20 . . . . . . A 13 ARG HD3 . 7157 3 96 . 1 1 13 13 ARG HH11 H 1 7.14 . . . . . . A 13 ARG NH1 . 7157 3 stop_ save_