data_27926 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27926 _Entry.Title ; RTNLB13_APH_16 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-05-28 _Entry.Accession_date 2019-05-28 _Entry.Last_release_date 2019-05-28 _Entry.Original_release_date 2019-05-28 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; 1 mM 16-aa peptide corresponding to Glu160 to Lys175 of RTNLB13 from Arabidopsis thaliana. In the presence of 50 mM Sodium Phosphate buffer pH 7.0. 310 K. TOCSY and NOESY. ; _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Ann Dixon . M. . . 27926 2 Rhiannon Brooks . L. . . 27926 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27926 spectral_peak_list 2 27926 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 88 27926 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 . . 2020-03-05 . original BMRB . 27926 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27927 'Polypeptide chain (RTNLB13 18-mer)' 27926 BMRB 27928 'Polypeptide chain (R13-APH22 22-mer)' 27926 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27926 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31874147 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Revealing the mechanism of protein-lipid interactions for a putative membrane curvature sensor in plant endoplasmic reticulum ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta Biomembr.' _Citation.Journal_name_full 'Biochimica et biophysica acta. Biomembranes' _Citation.Journal_volume 1862 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1879-2642 _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 183160 _Citation.Page_last 183160 _Citation.Year 2020 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Rhiannon Brooks . L. . . 27926 1 2 Ann Dixon . M. . . 27926 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27926 _Assembly.ID 1 _Assembly.Name 'Polypeptide chain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 R13-APH16 1 $RTNLB13 A . yes 'partially disordered' no no . . . 27926 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RTNLB13 _Entity.Sf_category entity _Entity.Sf_framecode RTNLB13 _Entity.Entry_ID 27926 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RTNLB13 _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 ; EYGDQIQKHLGSLKDK ; _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 16 _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 . _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 . GLU . 27926 1 2 . TYR . 27926 1 3 . GLY . 27926 1 4 . ASP . 27926 1 5 . GLN . 27926 1 6 . ILE . 27926 1 7 . GLN . 27926 1 8 . LYS . 27926 1 9 . HIS . 27926 1 10 . LEU . 27926 1 11 . GLY . 27926 1 12 . SER . 27926 1 13 . LEU . 27926 1 14 . LYS . 27926 1 15 . ASP . 27926 1 16 . LYS . 27926 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 . GLU 1 1 27926 1 . TYR 2 2 27926 1 . GLY 3 3 27926 1 . ASP 4 4 27926 1 . GLN 5 5 27926 1 . ILE 6 6 27926 1 . GLN 7 7 27926 1 . LYS 8 8 27926 1 . HIS 9 9 27926 1 . LEU 10 10 27926 1 . GLY 11 11 27926 1 . SER 12 12 27926 1 . LEU 13 13 27926 1 . LYS 14 14 27926 1 . ASP 15 15 27926 1 . LYS 16 16 27926 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 27926 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $RTNLB13 . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . RTNLB13 . 27926 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 27926 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $RTNLB13 . 'chemical synthesis' . . . . . . . . . . . . . . . . 27926 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27926 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RTNLB13 APH peptide' 'natural abundance' . . 1 $RTNLB13 . . 1 . . mM . . . . 27926 1 2 DPC-d38 'natural abundance' . . . . . . 50 . . mM . . . . 27926 1 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 27926 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27926 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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 7.0 . pH 27926 1 pressure 1 . atm 27926 1 temperature 310 . K 27926 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CCPNmr_Analysis _Software.Entry_ID 27926 _Software.ID 1 _Software.Type . _Software.Name CCPNmr_Analysis _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27926 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27926 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27926 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker BioSpin' . . 27926 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 27926 2 . processing 27926 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27926 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27926 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 27926 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27926 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27926 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27926 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27926 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.72 internal direct 1.0 . . . . . 27926 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27926 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 27926 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLU H H 1 8.095 0.004 . 1 . . 52 . . 1 GLU HN . 27926 1 2 . 1 . 1 1 1 GLU HA H 1 4.159 0.002 . 1 . . 53 . . 1 GLU HA . 27926 1 3 . 1 . 1 1 1 GLU HB2 H 1 1.641 . . 1 . . 56 . . 1 GLU HB2 . 27926 1 4 . 1 . 1 1 1 GLU HB3 H 1 8.095 0.004 . 1 . . 52 . . 1 GLU HB3 . 27926 1 5 . 1 . 1 1 1 GLU HG2 H 1 2.952 . . 2 . . 54 . . 1 GLU HG2 . 27926 1 6 . 1 . 1 1 1 GLU HG3 H 1 2.604 . . 2 . . 55 . . 1 GLU HG3 . 27926 1 7 . 1 . 1 2 2 TYR H H 1 7.829 0.005 . 1 . . 39 . . 2 TYR H . 27926 1 8 . 1 . 1 2 2 TYR HA H 1 4.634 . . 1 . . 41 . . 2 TYR HA . 27926 1 9 . 1 . 1 2 2 TYR HB2 H 1 3.131 . . 1 . . 40 . . 2 TYR HB2 . 27926 1 10 . 1 . 1 2 2 TYR HD1 H 1 7.190 0.004 . 1 . . 63 . . 2 TYR HD1 . 27926 1 11 . 1 . 1 2 2 TYR HD2 H 1 7.190 0.004 . 1 . . 63 . . 2 TYR HD2 . 27926 1 12 . 1 . 1 2 2 TYR HE1 H 1 6.881 0.003 . 1 . . 62 . . 2 TYR HE1 . 27926 1 13 . 1 . 1 2 2 TYR HE2 H 1 6.881 0.003 . 1 . . 62 . . 2 TYR HE2 . 27926 1 14 . 1 . 1 3 3 GLY H H 1 8.330 0.026 . 1 . . 59 . . 3 GLY H . 27926 1 15 . 1 . 1 3 3 GLY HA2 H 1 3.826 0.019 . 1 . . 60 . . 3 GLY HA2 . 27926 1 16 . 1 . 1 4 4 ASP H H 1 8.127 0.003 . 1 . . 21 . . 4 ASP H . 27926 1 17 . 1 . 1 4 4 ASP HA H 1 4.537 . . 1 . . 22 . . 4 ASP HA . 27926 1 18 . 1 . 1 4 4 ASP HB2 H 1 2.732 . . 1 . . 23 . . 4 ASP HB2 . 27926 1 19 . 1 . 1 5 5 GLN H H 1 8.261 0.017 . 1 . . 8 . . 5 GLN H . 27926 1 20 . 1 . 1 5 5 GLN HA H 1 4.263 0.004 . 1 . . 9 . . 5 GLN HA . 27926 1 21 . 1 . 1 5 5 GLN HB2 H 1 2.195 0.015 . 2 . . 71 . . 5 GLN HB2 . 27926 1 22 . 1 . 1 5 5 GLN HB3 H 1 2.160 . . 2 . . 74 . . 5 GLN HB3 . 27926 1 23 . 1 . 1 5 5 GLN HG2 H 1 2.504 . . 1 . . 72 . . 5 GLN HG2 . 27926 1 24 . 1 . 1 5 5 GLN HE21 H 1 6.846 0.002 . 1 . . 66 . . 5 GLN HE21 . 27926 1 25 . 1 . 1 5 5 GLN HE22 H 1 7.566 0.001 . 1 . . 67 . . 5 GLN HE22 . 27926 1 26 . 1 . 1 6 6 ILE H H 1 8.149 0.013 . 1 . . 14 . . 6 ILE H . 27926 1 27 . 1 . 1 6 6 ILE HA H 1 3.986 0.007 . 1 . . 15 . . 6 ILE HA . 27926 1 28 . 1 . 1 6 6 ILE HB H 1 1.995 . . 1 . . 16 . . 6 ILE HB . 27926 1 29 . 1 . 1 6 6 ILE HG12 H 1 1.679 . . 2 . . 17 . . 6 ILE HG12 . 27926 1 30 . 1 . 1 6 6 ILE HG13 H 1 1.203 . . 2 . . 18 . . 6 ILE HG13 . 27926 1 31 . 1 . 1 6 6 ILE HG21 H 1 0.949 . . 1 . . 19 . . 6 ILE HG21 . 27926 1 32 . 1 . 1 6 6 ILE HG22 H 1 0.949 . . 1 . . 19 . . 6 ILE HG22 . 27926 1 33 . 1 . 1 6 6 ILE HG23 H 1 0.949 . . 1 . . 19 . . 6 ILE HG23 . 27926 1 34 . 1 . 1 7 7 GLN H H 1 8.286 0.013 . 1 . . 1 . . 7 GLN H . 27926 1 35 . 1 . 1 7 7 GLN HA H 1 4.141 . . 1 . . 2 . . 7 GLN HA . 27926 1 36 . 1 . 1 7 7 GLN HB2 H 1 2.128 . . 1 . . 4 . . 7 GLN HB2 . 27926 1 37 . 1 . 1 7 7 GLN HG2 H 1 2.472 0.003 . 2 . . 3 . . 7 GLN HG2 . 27926 1 38 . 1 . 1 7 7 GLN HG3 H 1 2.373 . . 2 . . 5 . . 7 GLN HG3 . 27926 1 39 . 1 . 1 7 7 GLN HE21 H 1 6.843 0.002 . 1 . . 68 . . 7 GLN HE21 . 27926 1 40 . 1 . 1 7 7 GLN HE22 H 1 7.461 0.002 . 1 . . 69 . . 7 GLN HE22 . 27926 1 41 . 1 . 1 8 8 LYS H H 1 7.759 0.004 . 1 . . 33 . . 8 LYS H . 27926 1 42 . 1 . 1 8 8 LYS HA H 1 4.181 0.003 . 1 . . 34 . . 8 LYS HA . 27926 1 43 . 1 . 1 8 8 LYS HB2 H 1 1.862 . . 2 . . 36 . . 8 LYS HB2 . 27926 1 44 . 1 . 1 8 8 LYS HB3 H 1 1.730 . . 2 . . 37 . . 8 LYS HB3 . 27926 1 45 . 1 . 1 8 8 LYS HG2 H 1 1.424 . . 1 . . 38 . . 8 LYS HG2 . 27926 1 46 . 1 . 1 8 8 LYS HE2 H 1 3.041 . . 1 . . 35 . . 8 LYS HE2 . 27926 1 47 . 1 . 1 9 9 HIS H H 1 7.981 0.014 . 1 . . 57 . . 9 HIS H . 27926 1 48 . 1 . 1 9 9 HIS HA H 1 4.473 0.001 . 1 . . 58 . . 9 HIS HA . 27926 1 49 . 1 . 1 9 9 HIS HB2 H 1 3.112 . . 1 . . 75 . . 9 HIS HB2 . 27926 1 50 . 1 . 1 9 9 HIS HD1 H 1 7.001 0.003 . 1 . . 65 . . 9 HIS HD1 . 27926 1 51 . 1 . 1 9 9 HIS HE1 H 1 7.828 0.002 . 1 . . 64 . . 9 HIS HE1 . 27926 1 52 . 1 . 1 10 10 LEU H H 1 8.050 0.005 . 1 . . 30 . . 10 LEU H . 27926 1 53 . 1 . 1 10 10 LEU HA H 1 4.362 0.005 . 1 . . 31 . . 10 LEU HA . 27926 1 54 . 1 . 1 10 10 LEU HB2 H 1 1.904 . . 1 . . 79 . . 10 LEU HB2 . 27926 1 55 . 1 . 1 10 10 LEU HG H 1 1.750 0.018 . 1 . . 78 . . 10 LEU HG . 27926 1 56 . 1 . 1 10 10 LEU HD11 H 1 0.929 . . 1 . . 32 . . 10 LEU HD11 . 27926 1 57 . 1 . 1 10 10 LEU HD12 H 1 0.929 . . 1 . . 32 . . 10 LEU HD12 . 27926 1 58 . 1 . 1 10 10 LEU HD13 H 1 0.929 . . 1 . . 32 . . 10 LEU HD13 . 27926 1 59 . 1 . 1 11 11 GLY H H 1 8.174 0.016 . 1 . . 50 . . 11 GLY H . 27926 1 60 . 1 . 1 11 11 GLY HA2 H 1 4.008 . . 1 . . 51 . . 11 GLY HA2 . 27926 1 61 . 1 . 1 12 12 SER H H 1 7.758 0.003 . 1 . . 47 . . 12 SER H . 27926 1 62 . 1 . 1 12 12 SER HA H 1 4.369 . . 1 . . 61 . . 12 SER HA . 27926 1 63 . 1 . 1 12 12 SER HB2 H 1 4.031 . . 1 . . 48 . . 12 SER HB2 . 27926 1 64 . 1 . 1 13 13 LEU H H 1 8.215 0.002 . 1 . . 6 . . 13 LEU H . 27926 1 65 . 1 . 1 13 13 LEU HA H 1 4.318 0.001 . 1 . . 7 . . 13 LEU HA . 27926 1 66 . 1 . 1 13 13 LEU HB2 H 1 1.770 . . 1 . . 76 . . 13 LEU HB2 . 27926 1 67 . 1 . 1 13 13 LEU HG H 1 1.637 . . 1 . . 77 . . 13 LEU HG . 27926 1 68 . 1 . 1 13 13 LEU HD11 H 1 0.918 . . 1 . . 20 . . 13 LEU HD11 . 27926 1 69 . 1 . 1 13 13 LEU HD12 H 1 0.918 . . 1 . . 20 . . 13 LEU HD12 . 27926 1 70 . 1 . 1 13 13 LEU HD13 H 1 0.918 . . 1 . . 20 . . 13 LEU HD13 . 27926 1 71 . 1 . 1 14 14 LYS H H 1 8.006 0.019 . 1 . . 24 . . 14 LYS H . 27926 1 72 . 1 . 1 14 14 LYS HA H 1 4.372 0.003 . 1 . . 25 . . 14 LYS HA . 27926 1 73 . 1 . 1 14 14 LYS HB2 H 1 1.901 . . 2 . . 27 . . 14 LYS HB2 . 27926 1 74 . 1 . 1 14 14 LYS HB3 H 1 1.735 . . 2 . . 28 . . 14 LYS HB3 . 27926 1 75 . 1 . 1 14 14 LYS HG2 H 1 1.485 . . 1 . . 29 . . 14 LYS HG2 . 27926 1 76 . 1 . 1 14 14 LYS HE2 H 1 3.039 . . 1 . . 26 . . 14 LYS HE2 . 27926 1 77 . 1 . 1 15 15 ASP H H 1 8.246 0.006 . 1 . . 10 . . 15 ASP H . 27926 1 78 . 1 . 1 15 15 ASP HA H 1 4.635 0.015 . 1 . . 11 . . 15 ASP HA . 27926 1 79 . 1 . 1 15 15 ASP HB2 H 1 2.754 . . 2 . . 12 . . 15 ASP HB2 . 27926 1 80 . 1 . 1 15 15 ASP HB3 H 1 2.662 . . 2 . . 13 . . 15 ASP HB3 . 27926 1 81 . 1 . 1 16 16 LYS H H 1 7.756 0.003 . 1 . . 42 . . 16 LYS H . 27926 1 82 . 1 . 1 16 16 LYS HA H 1 4.283 . . 1 . . 44 . . 16 LYS HA . 27926 1 83 . 1 . 1 16 16 LYS HB2 H 1 1.578 . . 1 . . 45 . . 16 LYS HB2 . 27926 1 84 . 1 . 1 16 16 LYS HG2 H 1 1.323 . . 1 . . 46 . . 16 LYS HG2 . 27926 1 85 . 1 . 1 16 16 LYS HE2 H 1 3.130 0.007 . 1 . . 43 . . 16 LYS HE2 . 27926 1 86 . 1 . 1 16 16 LYS HZ1 H 1 7.005 . . 1 . . 70 . . 16 LYS HZ1 . 27926 1 87 . 1 . 1 16 16 LYS HZ2 H 1 7.005 . . 1 . . 70 . . 16 LYS HZ2 . 27926 1 88 . 1 . 1 16 16 LYS HZ3 H 1 7.005 . . 1 . . 70 . . 16 LYS HZ3 . 27926 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 27926 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID . _Spectral_peak_list.Chem_shift_reference_label . _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '2D 1H-1H NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 1H . . 9803.92156863 . . . . . . . 27926 1 2 . . H 1 1H . . 9803.92156863 . . . . . . . 27926 1 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 27926 1 2 1.0 . . 27926 1 3 1.0 . . 27926 1 4 1.0 . . 27926 1 5 1.0 . . 27926 1 6 1.0 . . 27926 1 7 1.0 . . 27926 1 8 1.0 . . 27926 1 9 1.0 . . 27926 1 10 1.0 . . 27926 1 11 1.0 . . 27926 1 12 1.0 . . 27926 1 13 1.0 . . 27926 1 14 1.0 . . 27926 1 15 1.0 . . 27926 1 16 1.0 . . 27926 1 17 1.0 . . 27926 1 18 1.0 . . 27926 1 19 1.0 . . 27926 1 20 1.0 . . 27926 1 21 1.0 . . 27926 1 22 1.0 . . 27926 1 23 1.0 . . 27926 1 24 1.0 . . 27926 1 25 1.0 . . 27926 1 26 1.0 . . 27926 1 27 1.0 . . 27926 1 28 1.0 . . 27926 1 29 1.0 . . 27926 1 30 1.0 . . 27926 1 31 1.0 . . 27926 1 32 1.0 . . 27926 1 33 1.0 . . 27926 1 34 1.0 . . 27926 1 35 1.0 . . 27926 1 36 1.0 . . 27926 1 37 1.0 . . 27926 1 38 1.0 . . 27926 1 39 1.0 . . 27926 1 40 1.0 . . 27926 1 41 1.0 . . 27926 1 42 1.0 . . 27926 1 43 1.0 . . 27926 1 44 1.0 . . 27926 1 45 1.0 . . 27926 1 46 1.0 . . 27926 1 47 1.0 . . 27926 1 48 1.0 . . 27926 1 49 1.0 . . 27926 1 50 1.0 . . 27926 1 51 1.0 . . 27926 1 52 1.0 . . 27926 1 53 1.0 . . 27926 1 54 1.0 . . 27926 1 55 1.0 . . 27926 1 56 1.0 . . 27926 1 57 1.0 . . 27926 1 58 1.0 . . 27926 1 59 1.0 . . 27926 1 60 1.0 . . 27926 1 61 1.0 . . 27926 1 62 1.0 . . 27926 1 63 1.0 . . 27926 1 64 1.0 . . 27926 1 65 1.0 . . 27926 1 66 1.0 . . 27926 1 67 1.0 . . 27926 1 68 1.0 . . 27926 1 69 1.0 . . 27926 1 70 1.0 . . 27926 1 71 1.0 . . 27926 1 72 1.0 . . 27926 1 73 1.0 . . 27926 1 74 1.0 . . 27926 1 75 1.0 . . 27926 1 76 1.0 . . 27926 1 77 1.0 . . 27926 1 78 1.0 . . 27926 1 79 1.0 . . 27926 1 80 1.0 . . 27926 1 81 1.0 . . 27926 1 82 1.0 . . 27926 1 83 1.0 . . 27926 1 84 1.0 . . 27926 1 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 160330.0 . height 27926 1 1 1213132.0 . volume 27926 1 2 279613.0 . height 27926 1 2 1856945.0 . volume 27926 1 3 341108.0 . height 27926 1 3 2207743.0 . volume 27926 1 4 195703.0 . height 27926 1 4 1298409.0 . volume 27926 1 5 149036.0 . height 27926 1 5 1059838.0 . volume 27926 1 6 239580.0 . height 27926 1 6 1845285.0 . volume 27926 1 7 109015.0 . height 27926 1 7 814249.0 . volume 27926 1 8 859955.0 . height 27926 1 8 5898836.0 . volume 27926 1 9 753794.0 . height 27926 1 9 5371814.0 . volume 27926 1 10 1460571.0 . height 27926 1 10 10304500.0 . volume 27926 1 11 992053.0 . height 27926 1 11 6077122.0 . volume 27926 1 12 374348.0 . height 27926 1 12 2587301.0 . volume 27926 1 13 113083.0 . height 27926 1 13 840448.0 . volume 27926 1 14 168768.0 . height 27926 1 14 1197410.0 . volume 27926 1 15 1639150.0 . height 27926 1 15 10803970.0 . volume 27926 1 16 325523.0 . height 27926 1 16 2393418.0 . volume 27926 1 17 531687.0 . height 27926 1 17 3862515.0 . volume 27926 1 18 328113.0 . height 27926 1 18 2234304.0 . volume 27926 1 19 540302.0 . height 27926 1 19 3442937.0 . volume 27926 1 20 209735.0 . height 27926 1 20 1551902.0 . volume 27926 1 21 310661.0 . height 27926 1 21 2584137.0 . volume 27926 1 22 351579.0 . height 27926 1 22 2445674.0 . volume 27926 1 23 106331.0 . height 27926 1 23 814883.0 . volume 27926 1 24 116277.0 . height 27926 1 24 813990.0 . volume 27926 1 25 4991644.0 . height 27926 1 25 34457640.0 . volume 27926 1 26 7823048.0 . height 27926 1 26 60929462.0 . volume 27926 1 27 350383.0 . height 27926 1 27 981870.0 . volume 27926 1 28 6490403.0 . height 27926 1 28 43693901.0 . volume 27926 1 29 251152.0 . height 27926 1 29 153860.0 . volume 27926 1 30 179583.0 . height 27926 1 30 278528.0 . volume 27926 1 31 4341579.0 . height 27926 1 31 28397891.0 . volume 27926 1 32 320130.0 . height 27926 1 32 427881.0 . volume 27926 1 33 9105835.0 . height 27926 1 33 56784584.0 . volume 27926 1 34 84086.0 . height 27926 1 34 116134.0 . volume 27926 1 35 151788.0 . height 27926 1 35 1089822.0 . volume 27926 1 36 62252.0 . height 27926 1 36 472029.0 . volume 27926 1 37 5229047.0 . height 27926 1 37 31749930.0 . volume 27926 1 38 81020.0 . height 27926 1 38 591199.0 . volume 27926 1 39 666580.0 . height 27926 1 39 4704771.0 . volume 27926 1 40 47769.0 . height 27926 1 40 341685.0 . volume 27926 1 41 38278.0 . height 27926 1 41 227895.0 . volume 27926 1 42 22559.0 . height 27926 1 42 176299.0 . volume 27926 1 43 44994.0 . height 27926 1 43 352416.0 . volume 27926 1 44 127893.0 . height 27926 1 44 255038.0 . volume 27926 1 45 146295.0 . height 27926 1 45 1017917.0 . volume 27926 1 46 24527.0 . height 27926 1 46 186046.0 . volume 27926 1 47 -4114.0 . height 27926 1 47 -121458.0 . volume 27926 1 48 188847.0 . height 27926 1 48 1162953.0 . volume 27926 1 49 88528.0 . height 27926 1 49 621145.0 . volume 27926 1 50 187323.0 . height 27926 1 50 1276996.0 . volume 27926 1 51 387649.0 . height 27926 1 51 2567764.0 . volume 27926 1 52 406384.0 . height 27926 1 52 2570653.0 . volume 27926 1 53 376159.0 . height 27926 1 53 2531121.0 . volume 27926 1 54 60010.0 . height 27926 1 54 428251.0 . volume 27926 1 55 52365216.0 . height 27926 1 55 338528215.0 . volume 27926 1 56 36061.0 . height 27926 1 56 246248.0 . volume 27926 1 57 23173.0 . height 27926 1 57 168079.0 . volume 27926 1 58 23195.0 . height 27926 1 58 182070.0 . volume 27926 1 59 61137.0 . height 27926 1 59 472979.0 . volume 27926 1 60 31008.0 . height 27926 1 60 242075.0 . volume 27926 1 61 81289.0 . height 27926 1 61 551915.0 . volume 27926 1 62 12786791.0 . height 27926 1 62 80700949.0 . volume 27926 1 63 73183248.0 . height 27926 1 63 444438998.0 . volume 27926 1 64 64804568.0 . height 27926 1 64 396176092.0 . volume 27926 1 65 11716801.0 . height 27926 1 65 74399689.0 . volume 27926 1 66 9555521.0 . height 27926 1 66 62047345.0 . volume 27926 1 67 2204582.0 . height 27926 1 67 13313327.0 . volume 27926 1 68 3153148.0 . height 27926 1 68 22441742.0 . volume 27926 1 69 85849.0 . height 27926 1 69 337792.0 . volume 27926 1 70 2750838.0 . height 27926 1 70 18465949.0 . volume 27926 1 71 1668673.0 . height 27926 1 71 11044587.0 . volume 27926 1 72 957527.0 . height 27926 1 72 7596075.0 . volume 27926 1 73 124008.0 . height 27926 1 73 1119933.0 . volume 27926 1 74 98572.0 . height 27926 1 74 838497.0 . volume 27926 1 75 2913965.0 . height 27926 1 75 17717252.0 . volume 27926 1 76 1951258.0 . height 27926 1 76 12532737.0 . volume 27926 1 77 1380221.0 . height 27926 1 77 8903555.0 . volume 27926 1 78 320390.0 . height 27926 1 78 7574764.0 . volume 27926 1 79 5592555.0 . height 27926 1 79 38403927.0 . volume 27926 1 80 263154.0 . height 27926 1 80 1976095.0 . volume 27926 1 81 528875.0 . height 27926 1 81 3867815.0 . volume 27926 1 82 54085.0 . height 27926 1 82 356580.0 . volume 27926 1 83 2189959.0 . height 27926 1 83 13864717.0 . volume 27926 1 84 3855164.0 . height 27926 1 84 27490595.0 . volume 27926 1 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 8.214 . 21.44627711350 . . . . . . . . . . . 27926 1 1 2 4.319 . 57.09599046150 . . . . . . . . . . . 27926 1 2 1 8.268 . 22.22391320210 . . . . . . . . . . . 27926 1 2 2 4.261 . 44.43058780600 . . . . . . . . . . . 27926 1 3 1 8.287 . 18.71045313630 . . . . . . . . . . . 27926 1 3 2 4.141 . 43.96076295890 . . . . . . . . . . . 27926 1 4 1 8.282 . 28.84484973610 . . . . . . . . . . . 27926 1 4 2 2.470 . 52.63908236630 . . . . . . . . . . . 27926 1 5 1 8.287 . 17.69994988160 . . . . . . . . . . . 27926 1 5 2 2.373 . 116.68427317800 . . . . . . . . . . . 27926 1 6 1 8.286 . 26.10274389680 . . . . . . . . . . . 27926 1 6 2 2.128 . 64.18952754900 . . . . . . . . . . . 27926 1 7 1 8.214 . 19.39196212620 . . . . . . . . . . . 27926 1 7 2 0.918 . 60.62610476620 . . . . . . . . . . . 27926 1 8 1 8.250 . 18.32930480730 . . . . . . . . . . . 27926 1 8 2 2.754 . 59.06002194270 . . . . . . . . . . . 27926 1 9 1 8.251 . 18.67305414350 . . . . . . . . . . . 27926 1 9 2 2.662 . 116.30736145300 . . . . . . . . . . . 27926 1 10 1 8.250 . 17.14802255820 . . . . . . . . . . . 27926 1 10 2 4.620 . 148.28496119600 . . . . . . . . . . . 27926 1 11 1 8.146 . 17.02296967600 . . . . . . . . . . . 27926 1 11 2 3.983 . 40.52180869910 . . . . . . . . . . . 27926 1 12 1 8.145 . 17.16058628230 . . . . . . . . . . . 27926 1 12 2 1.995 . 49.49406081550 . . . . . . . . . . . 27926 1 13 1 8.146 . 17.70871527050 . . . . . . . . . . . 27926 1 13 2 1.679 . 56.74303746690 . . . . . . . . . . . 27926 1 14 1 8.146 . 19.40890854480 . . . . . . . . . . . 27926 1 14 2 1.203 . 53.25733446610 . . . . . . . . . . . 27926 1 15 1 8.145 . 18.65479291650 . . . . . . . . . . . 27926 1 15 2 0.949 . 46.32449617570 . . . . . . . . . . . 27926 1 16 1 8.129 . 20.85139938430 . . . . . . . . . . . 27926 1 16 2 2.732 . 57.24266463630 . . . . . . . . . . . 27926 1 17 1 8.129 . 19.95002522190 . . . . . . . . . . . 27926 1 17 2 4.537 . 53.49107817110 . . . . . . . . . . . 27926 1 18 1 7.994 . 21.41559825220 . . . . . . . . . . . 27926 1 18 2 3.039 . 44.87762264180 . . . . . . . . . . . 27926 1 19 1 7.993 . 20.21824612340 . . . . . . . . . . . 27926 1 19 2 4.369 . 41.34108038510 . . . . . . . . . . . 27926 1 20 1 7.993 . 20.71115316130 . . . . . . . . . . . 27926 1 20 2 1.901 . 185.16533515000 . . . . . . . . . . . 27926 1 21 1 7.994 . 21.09741463380 . . . . . . . . . . . 27926 1 21 2 1.735 . 105.54580127500 . . . . . . . . . . . 27926 1 22 1 7.994 . 20.88616876040 . . . . . . . . . . . 27926 1 22 2 1.485 . 47.72988020210 . . . . . . . . . . . 27926 1 23 1 8.046 . 24.59801879580 . . . . . . . . . . . 27926 1 23 2 0.929 . 68.66221334420 . . . . . . . . . . . 27926 1 24 1 8.052 . 22.55042394000 . . . . . . . . . . . 27926 1 24 2 4.355 . 52.54500052510 . . . . . . . . . . . 27926 1 25 1 7.757 . 15.56791511240 . . . . . . . . . . . 27926 1 25 2 1.862 . 48.65901142940 . . . . . . . . . . . 27926 1 26 1 7.758 . 15.86272436030 . . . . . . . . . . . 27926 1 26 2 1.730 . 66.61812464400 . . . . . . . . . . . 27926 1 27 1 7.752 . 15.08172820600 . . . . . . . . . . . 27926 1 27 2 1.578 . 18.94317421260 . . . . . . . . . . . 27926 1 28 1 7.758 . 15.50129815640 . . . . . . . . . . . 27926 1 28 2 1.424 . 49.82539251740 . . . . . . . . . . . 27926 1 29 1 7.758 . 12.78169014870 . . . . . . . . . . . 27926 1 29 2 1.323 . 18.91746240500 . . . . . . . . . . . 27926 1 30 1 7.757 . 14.24521792170 . . . . . . . . . . . 27926 1 30 2 3.137 . 15.70757697610 . . . . . . . . . . . 27926 1 31 1 7.758 . 15.84256396570 . . . . . . . . . . . 27926 1 31 2 3.041 . 45.15636201000 . . . . . . . . . . . 27926 1 32 1 7.755 . 14.85353591400 . . . . . . . . . . . 27926 1 32 2 4.283 . 15.06828794290 . . . . . . . . . . . 27926 1 33 1 7.757 . 15.05806165580 . . . . . . . . . . . 27926 1 33 2 4.178 . 40.79412011540 . . . . . . . . . . . 27926 1 34 1 7.758 . 14.75039650410 . . . . . . . . . . . 27926 1 34 2 4.031 . 20.12650171920 . . . . . . . . . . . 27926 1 35 1 7.829 . 10.95147693860 . . . . . . . . . . . 27926 1 35 2 3.131 . 54.21509929730 . . . . . . . . . . . 27926 1 36 1 8.200 . 15.63657732570 . . . . . . . . . . . 27926 1 36 2 4.008 . 60.29944793850 . . . . . . . . . . . 27926 1 37 1 4.184 . 15.56265587900 . . . . . . . . . . . 27926 1 37 2 7.754 . 40.14781877110 . . . . . . . . . . . 27926 1 38 1 4.372 . 16.80734110810 . . . . . . . . . . . 27926 1 38 2 7.985 . 57.32944198680 . . . . . . . . . . . 27926 1 39 1 3.989 . 17.45948604510 . . . . . . . . . . . 27926 1 39 2 8.144 . 50.86525982500 . . . . . . . . . . . 27926 1 40 1 8.093 . 17.94275115520 . . . . . . . . . . . 27926 1 40 2 4.157 . 52.45909971350 . . . . . . . . . . . 27926 1 41 1 8.096 . 24.18370807870 . . . . . . . . . . . 27926 1 41 2 2.952 . 39.28472014030 . . . . . . . . . . . 27926 1 42 1 8.096 . 17.08637265600 . . . . . . . . . . . 27926 1 42 2 2.604 . 152.20279787100 . . . . . . . . . . . 27926 1 43 1 8.090 . 15.22197442900 . . . . . . . . . . . 27926 1 43 2 1.641 . 66.73967137060 . . . . . . . . . . . 27926 1 44 1 7.989 . 16.41494386340 . . . . . . . . . . . 27926 1 44 2 4.474 . 16.54496379930 . . . . . . . . . . . 27926 1 45 1 4.263 . 16.50464301020 . . . . . . . . . . . 27926 1 45 2 8.260 . 48.24791468830 . . . . . . . . . . . 27926 1 46 1 8.314 . 10.15689443140 . . . . . . . . . . . 27926 1 46 2 3.827 . 66.14771543760 . . . . . . . . . . . 27926 1 47 1 7.757 . 22.93522451440 . . . . . . . . . . . 27926 1 47 2 4.369 . 43.69780129080 . . . . . . . . . . . 27926 1 48 1 7.822 . 9.47363236371 . . . . . . . . . . . 27926 1 48 2 4.634 . 42.80256290060 . . . . . . . . . . . 27926 1 49 1 8.020 . 43.75652939670 . . . . . . . . . . . 27926 1 49 2 8.009 . 50.94327178660 . . . . . . . . . . . 27926 1 50 1 7.979 . 16.47630158590 . . . . . . . . . . . 27926 1 50 2 7.974 . 48.20028940840 . . . . . . . . . . . 27926 1 51 1 8.147 . 29.14258078030 . . . . . . . . . . . 27926 1 51 2 8.138 . 46.62164286070 . . . . . . . . . . . 27926 1 52 1 8.174 . 32.40798033920 . . . . . . . . . . . 27926 1 52 2 8.170 . 41.91813515680 . . . . . . . . . . . 27926 1 53 1 8.244 . 20.43635821810 . . . . . . . . . . . 27926 1 53 2 8.243 . 48.87843833250 . . . . . . . . . . . 27926 1 54 1 8.284 . 56.80088903390 . . . . . . . . . . . 27926 1 54 2 8.275 . 52.80430994780 . . . . . . . . . . . 27926 1 55 1 7.830 . 10.99004464990 . . . . . . . . . . . 27926 1 55 2 7.824 . 43.37698805570 . . . . . . . . . . . 27926 1 56 1 8.102 . 21.15643491930 . . . . . . . . . . . 27926 1 56 2 8.091 . 46.24502331600 . . . . . . . . . . . 27926 1 57 1 8.049 . 40.52385395650 . . . . . . . . . . . 27926 1 57 2 8.045 . 52.62827172000 . . . . . . . . . . . 27926 1 58 1 8.326 . 16.35358614080 . . . . . . . . . . . 27926 1 58 2 8.294 . 84.91251398540 . . . . . . . . . . . 27926 1 59 1 8.268 . 56.46400591910 . . . . . . . . . . . 27926 1 59 2 8.266 . 58.13395860150 . . . . . . . . . . . 27926 1 60 1 8.218 . 42.98502908030 . . . . . . . . . . . 27926 1 60 2 8.214 . 66.00907620260 . . . . . . . . . . . 27926 1 61 1 8.124 . 36.96013899410 . . . . . . . . . . . 27926 1 61 2 8.124 . 46.99943112390 . . . . . . . . . . . 27926 1 62 1 7.758 . 15.83701255270 . . . . . . . . . . . 27926 1 62 2 7.753 . 42.36984486670 . . . . . . . . . . . 27926 1 63 1 6.884 . 13.00959026110 . . . . . . . . . . . 27926 1 63 2 7.187 . 39.97747804600 . . . . . . . . . . . 27926 1 64 1 7.194 . 13.27897988110 . . . . . . . . . . . 27926 1 64 2 6.879 . 40.24599112720 . . . . . . . . . . . 27926 1 65 1 7.830 . 11.36432675750 . . . . . . . . . . . 27926 1 65 2 6.998 . 42.39321923720 . . . . . . . . . . . 27926 1 66 1 7.004 . 11.70471602800 . . . . . . . . . . . 27926 1 66 2 7.826 . 44.86856507320 . . . . . . . . . . . 27926 1 67 1 6.849 . 14.33141091290 . . . . . . . . . . . 27926 1 67 2 7.565 . 41.87606128990 . . . . . . . . . . . 27926 1 68 1 6.846 . 13.96472547570 . . . . . . . . . . . 27926 1 68 2 7.458 . 53.42095505960 . . . . . . . . . . . 27926 1 70 1 7.463 . 14.82431795080 . . . . . . . . . . . 27926 1 70 2 6.841 . 45.61683710880 . . . . . . . . . . . 27926 1 71 1 7.568 . 15.17610222690 . . . . . . . . . . . 27926 1 71 2 6.844 . 45.07104555770 . . . . . . . . . . . 27926 1 72 1 7.005 . 11.31465622020 . . . . . . . . . . . 27926 1 72 2 3.123 . 73.97520775890 . . . . . . . . . . . 27926 1 73 1 8.268 . 31.01676702500 . . . . . . . . . . . 27926 1 73 2 2.179 . 99.61397040120 . . . . . . . . . . . 27926 1 74 1 8.267 . 26.23057248550 . . . . . . . . . . . 27926 1 74 2 2.504 . 87.61590602350 . . . . . . . . . . . 27926 1 75 1 2.475 . 21.27885818480 . . . . . . . . . . . 27926 1 75 2 4.261 . 39.83051169150 . . . . . . . . . . . 27926 1 76 1 2.210 . 24.83176250080 . . . . . . . . . . . 27926 1 76 2 4.261 . 42.94923707550 . . . . . . . . . . . 27926 1 77 1 2.160 . 26.69879034450 . . . . . . . . . . . 27926 1 77 2 4.259 . 45.11954737640 . . . . . . . . . . . 27926 1 78 1 3.112 . 16.82078137120 . . . . . . . . . . . 27926 1 78 2 4.472 . 146.37615166500 . . . . . . . . . . . 27926 1 80 1 4.316 . 42.19424490840 . . . . . . . . . . . 27926 1 80 2 1.637 . 57.92227445860 . . . . . . . . . . . 27926 1 81 1 4.319 . 55.49309300440 . . . . . . . . . . . 27926 1 81 2 1.770 . 59.15293506550 . . . . . . . . . . . 27926 1 82 1 8.046 . 44.39523407060 . . . . . . . . . . . 27926 1 82 2 1.768 . 46.30287488300 . . . . . . . . . . . 27926 1 83 1 1.904 . 24.13462190070 . . . . . . . . . . . 27926 1 83 2 4.368 . 42.12529051540 . . . . . . . . . . . 27926 1 84 1 1.733 . 48.04894035940 . . . . . . . . . . . 27926 1 84 2 4.362 . 54.22795520110 . . . . . . . . . . . 27926 1 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 1 . . 8.214 . . 1 . 1 1 13 LEU H . . . . . . . . . . 6 . 27926 1 1 2 1 . . 4.319 . . 1 . 1 1 13 LEU HA . . . . . . . . . . 7 . 27926 1 2 1 1 . . 8.268 . . 1 . 1 1 5 GLN H . . . . . . . . . . 8 . 27926 1 2 2 1 . . 4.261 . . 1 . 1 1 5 GLN HA . . . . . . . . . . 9 . 27926 1 3 1 1 . . 8.287 . . 1 . 1 1 7 GLN H . . . . . . . . . . 1 . 27926 1 3 2 1 . . 4.141 . . 1 . 1 1 7 GLN HA . . . . . . . . . . 2 . 27926 1 4 1 1 . . 8.282 . . 1 . 1 1 7 GLN H . . . . . . . . . . 1 . 27926 1 4 2 1 . . 2.470 . . 1 . 1 1 7 GLN HG2 . . . . . . . . . . 3 . 27926 1 5 1 1 . . 8.287 . . 1 . 1 1 7 GLN H . . . . . . . . . . 1 . 27926 1 5 2 1 . . 2.373 . . 1 . 1 1 7 GLN HG3 . . . . . . . . . . 5 . 27926 1 6 1 1 . . 8.286 . . 1 . 1 1 7 GLN H . . . . . . . . . . 1 . 27926 1 6 2 1 . . 2.128 . . 1 . 1 1 7 GLN HB2 . . . . . . . . . . 4 . 27926 1 7 1 1 . . 8.214 . . 1 . 1 1 13 LEU H . . . . . . . . . . 6 . 27926 1 7 2 2 . . 0.918 . . 1 . 1 1 13 LEU MD1 . . . . . . . . . . 20 . 27926 1 8 1 1 . . 8.250 . . 1 . 1 1 15 ASP H . . . . . . . . . . 10 . 27926 1 8 2 1 . . 2.754 . . 1 . 1 1 15 ASP HB2 . . . . . . . . . . 12 . 27926 1 9 1 1 . . 8.251 . . 1 . 1 1 15 ASP H . . . . . . . . . . 10 . 27926 1 9 2 1 . . 2.662 . . 1 . 1 1 15 ASP HB3 . . . . . . . . . . 13 . 27926 1 10 1 1 . . 8.250 . . 1 . 1 1 15 ASP H . . . . . . . . . . 10 . 27926 1 10 2 1 . . 4.620 . . 1 . 1 1 15 ASP HA . . . . . . . . . . 11 . 27926 1 11 1 1 . . 8.146 . . 1 . 1 1 6 ILE H . . . . . . . . . . 14 . 27926 1 11 2 1 . . 3.983 . . 1 . 1 1 6 ILE HA . . . . . . . . . . 15 . 27926 1 12 1 1 . . 8.145 . . 1 . 1 1 6 ILE H . . . . . . . . . . 14 . 27926 1 12 2 1 . . 1.995 . . 1 . 1 1 6 ILE HB . . . . . . . . . . 16 . 27926 1 13 1 1 . . 8.146 . . 1 . 1 1 6 ILE H . . . . . . . . . . 14 . 27926 1 13 2 1 . . 1.679 . . 1 . 1 1 6 ILE HG12 . . . . . . . . . . 17 . 27926 1 14 1 1 . . 8.146 . . 1 . 1 1 6 ILE H . . . . . . . . . . 14 . 27926 1 14 2 1 . . 1.203 . . 1 . 1 1 6 ILE HG13 . . . . . . . . . . 18 . 27926 1 15 1 1 . . 8.145 . . 1 . 1 1 6 ILE H . . . . . . . . . . 14 . 27926 1 15 2 2 . . 0.949 . . 1 . 1 1 6 ILE MG . . . . . . . . . . 19 . 27926 1 16 1 1 . . 8.129 . . 1 . 1 1 4 ASP H . . . . . . . . . . 21 . 27926 1 16 2 2 . . 2.732 . . 1 . 1 1 4 ASP HB2 . . . . . . . . . . 23 . 27926 1 17 1 1 . . 8.129 . . 1 . 1 1 4 ASP H . . . . . . . . . . 21 . 27926 1 17 2 1 . . 4.537 . . 1 . 1 1 4 ASP HA . . . . . . . . . . 22 . 27926 1 18 1 1 . . 7.994 . . 1 . 1 1 14 LYS H . . . . . . . . . . 24 . 27926 1 18 2 1 . . 3.039 . . 1 . 1 1 14 LYS HE2 . . . . . . . . . . 26 . 27926 1 19 1 1 . . 7.993 . . 1 . 1 1 14 LYS H . . . . . . . . . . 24 . 27926 1 19 2 1 . . 4.369 . . 1 . 1 1 14 LYS HA . . . . . . . . . . 25 . 27926 1 20 1 1 . . 7.993 . . 1 . 1 1 14 LYS H . . . . . . . . . . 24 . 27926 1 20 2 1 . . 1.901 . . 1 . 1 1 14 LYS HB2 . . . . . . . . . . 27 . 27926 1 21 1 1 . . 7.994 . . 1 . 1 1 14 LYS H . . . . . . . . . . 24 . 27926 1 21 2 1 . . 1.735 . . 1 . 1 1 14 LYS HB3 . . . . . . . . . . 28 . 27926 1 22 1 1 . . 7.994 . . 1 . 1 1 14 LYS H . . . . . . . . . . 24 . 27926 1 22 2 1 . . 1.485 . . 1 . 1 1 14 LYS HG2 . . . . . . . . . . 29 . 27926 1 23 1 1 . . 8.046 . . 1 . 1 1 10 LEU H . . . . . . . . . . 30 . 27926 1 23 2 1 . . 0.929 . . 1 . 1 1 10 LEU MD1 . . . . . . . . . . 32 . 27926 1 24 1 1 . . 8.052 . . 1 . 1 1 10 LEU H . . . . . . . . . . 30 . 27926 1 24 2 1 . . 4.355 . . 1 . 1 1 10 LEU HA . . . . . . . . . . 31 . 27926 1 25 1 1 . . 7.757 . . 1 . 1 1 8 LYS H . . . . . . . . . . 33 . 27926 1 25 2 1 . . 1.862 . . 1 . 1 1 8 LYS HB2 . . . . . . . . . . 36 . 27926 1 26 1 1 . . 7.758 . . 1 . 1 1 8 LYS H . . . . . . . . . . 33 . 27926 1 26 2 1 . . 1.730 . . 1 . 1 1 8 LYS HB3 . . . . . . . . . . 37 . 27926 1 27 1 1 . . 7.752 . . 1 . 1 1 16 LYS H . . . . . . . . . . 42 . 27926 1 27 2 1 . . 1.578 . . 1 . 1 1 16 LYS HB2 . . . . . . . . . . 45 . 27926 1 28 1 1 . . 7.758 . . 1 . 1 1 8 LYS H . . . . . . . . . . 33 . 27926 1 28 2 1 . . 1.424 . . 1 . 1 1 8 LYS HG2 . . . . . . . . . . 38 . 27926 1 29 1 1 . . 7.758 . . 1 . 1 1 16 LYS H . . . . . . . . . . 42 . 27926 1 29 2 1 . . 1.323 . . 1 . 1 1 16 LYS HG2 . . . . . . . . . . 46 . 27926 1 30 1 1 . . 7.757 . . 1 . 1 1 16 LYS H . . . . . . . . . . 42 . 27926 1 30 2 1 . . 3.137 . . 1 . 1 1 16 LYS HE2 . . . . . . . . . . 43 . 27926 1 31 1 1 . . 7.758 . . 1 . 1 1 8 LYS H . . . . . . . . . . 33 . 27926 1 31 2 1 . . 3.041 . . 1 . 1 1 8 LYS HE2 . . . . . . . . . . 35 . 27926 1 32 1 1 . . 7.755 . . 1 . 1 1 16 LYS H . . . . . . . . . . 42 . 27926 1 32 2 1 . . 4.283 . . 1 . 1 1 16 LYS HA . . . . . . . . . . 44 . 27926 1 33 1 1 . . 7.757 . . 1 . 1 1 8 LYS H . . . . . . . . . . 33 . 27926 1 33 2 1 . . 4.178 . . 1 . 1 1 8 LYS HA . . . . . . . . . . 34 . 27926 1 34 1 2 . . 7.758 . . 1 . 1 1 12 SER H . . . . . . . . . . 47 . 27926 1 34 2 2 . . 4.031 . . 1 . 1 1 12 SER HB2 . . . . . . . . . . 48 . 27926 1 35 1 1 . . 7.829 . . 1 . 1 1 2 TYR H . . . . . . . . . . 39 . 27926 1 35 2 1 . . 3.131 . . 1 . 1 1 2 TYR HB2 . . . . . . . . . . 40 . 27926 1 36 1 1 . . 8.200 . . 1 . 1 1 11 GLY H . . . . . . . . . . 50 . 27926 1 36 2 1 . . 4.008 . . 1 . 1 1 11 GLY HA2 . . . . . . . . . . 51 . 27926 1 37 1 1 . . 4.184 . . 1 . 1 1 8 LYS HA . . . . . . . . . . 34 . 27926 1 37 2 1 . . 7.754 . . 1 . 1 1 8 LYS H . . . . . . . . . . 33 . 27926 1 38 1 1 . . 4.372 . . 1 . 1 1 14 LYS HA . . . . . . . . . . 25 . 27926 1 38 2 1 . . 7.985 . . 1 . 1 1 14 LYS H . . . . . . . . . . 24 . 27926 1 39 1 1 . . 3.989 . . 1 . 1 1 6 ILE HA . . . . . . . . . . 15 . 27926 1 39 2 1 . . 8.144 . . 1 . 1 1 6 ILE H . . . . . . . . . . 14 . 27926 1 40 1 1 . . 8.093 . . 1 . 1 1 1 GLU H3 . . . . . . . . . . 52 . 27926 1 40 2 1 . . 4.157 . . 1 . 1 1 1 GLU HA . . . . . . . . . . 53 . 27926 1 41 1 1 . . 8.096 . . 1 . 1 1 1 GLU H3 . . . . . . . . . . 52 . 27926 1 41 2 1 . . 2.952 . . 1 . 1 1 1 GLU HG2 . . . . . . . . . . 54 . 27926 1 42 1 1 . . 8.096 . . 1 . 1 1 1 GLU H3 . . . . . . . . . . 52 . 27926 1 42 2 1 . . 2.604 . . 1 . 1 1 1 GLU HG3 . . . . . . . . . . 55 . 27926 1 43 1 1 . . 8.090 . . 1 . 1 1 1 GLU H3 . . . . . . . . . . 52 . 27926 1 43 2 1 . . 1.641 . . 1 . 1 1 1 GLU HB2 . . . . . . . . . . 56 . 27926 1 44 1 1 . . 7.989 . . 1 . 1 1 9 HIS H . . . . . . . . . . 57 . 27926 1 44 2 1 . . 4.474 . . 1 . 1 1 9 HIS HA . . . . . . . . . . 58 . 27926 1 45 1 1 . . 4.263 . . 1 . 1 1 5 GLN HA . . . . . . . . . . 9 . 27926 1 45 2 1 . . 8.260 . . 1 . 1 1 5 GLN H . . . . . . . . . . 8 . 27926 1 46 1 1 . . 8.314 . . 1 . 1 1 3 GLY H . . . . . . . . . . 59 . 27926 1 46 2 1 . . 3.827 . . 1 . 1 1 3 GLY HA2 . . . . . . . . . . 60 . 27926 1 47 1 1 . . 7.757 . . 1 . 1 1 12 SER H . . . . . . . . . . 47 . 27926 1 47 2 1 . . 4.369 . . 1 . 1 1 12 SER HA . . . . . . . . . . 61 . 27926 1 48 1 1 . . 7.822 . . 1 . 1 1 2 TYR H . . . . . . . . . . 39 . 27926 1 48 2 1 . . 4.634 . . 1 . 1 1 2 TYR HA . . . . . . . . . . 41 . 27926 1 49 1 1 . . 8.020 . . 1 . 1 1 14 LYS H . . . . . . . . . . 24 . 27926 1 49 2 1 . . 8.009 . . 1 . 1 1 14 LYS H . . . . . . . . . . 24 . 27926 1 50 1 1 . . 7.979 . . 1 . 1 1 9 HIS H . . . . . . . . . . 57 . 27926 1 50 2 1 . . 7.974 . . 1 . 1 1 9 HIS H . . . . . . . . . . 57 . 27926 1 51 1 1 . . 8.147 . . 1 . 1 1 6 ILE H . . . . . . . . . . 14 . 27926 1 51 2 1 . . 8.138 . . 1 . 1 1 6 ILE H . . . . . . . . . . 14 . 27926 1 52 1 1 . . 8.174 . . 1 . 1 1 11 GLY H . . . . . . . . . . 50 . 27926 1 52 2 1 . . 8.170 . . 1 . 1 1 11 GLY H . . . . . . . . . . 50 . 27926 1 53 1 1 . . 8.244 . . 1 . 1 1 15 ASP H . . . . . . . . . . 10 . 27926 1 53 2 1 . . 8.243 . . 1 . 1 1 15 ASP H . . . . . . . . . . 10 . 27926 1 54 1 1 . . 8.284 . . 1 . 1 1 7 GLN H . . . . . . . . . . 1 . 27926 1 54 2 1 . . 8.275 . . 1 . 1 1 7 GLN H . . . . . . . . . . 1 . 27926 1 55 1 1 . . 7.830 . . 1 . 1 1 2 TYR H . . . . . . . . . . 39 . 27926 1 55 2 1 . . 7.824 . . 1 . 1 1 2 TYR H . . . . . . . . . . 39 . 27926 1 56 1 1 . . 8.102 . . 1 . 1 1 1 GLU H3 . . . . . . . . . . 52 . 27926 1 56 2 1 . . 8.091 . . 1 . 1 1 1 GLU H3 . . . . . . . . . . 52 . 27926 1 57 1 1 . . 8.049 . . 1 . 1 1 10 LEU H . . . . . . . . . . 30 . 27926 1 57 2 1 . . 8.045 . . 1 . 1 1 10 LEU H . . . . . . . . . . 30 . 27926 1 58 1 1 . . 8.326 . . 1 . 1 1 3 GLY H . . . . . . . . . . 59 . 27926 1 58 2 1 . . 8.294 . . 1 . 1 1 3 GLY H . . . . . . . . . . 59 . 27926 1 59 1 1 . . 8.268 . . 1 . 1 1 5 GLN H . . . . . . . . . . 8 . 27926 1 59 2 1 . . 8.266 . . 1 . 1 1 5 GLN H . . . . . . . . . . 8 . 27926 1 60 1 1 . . 8.218 . . 1 . 1 1 13 LEU H . . . . . . . . . . 6 . 27926 1 60 2 1 . . 8.214 . . 1 . 1 1 13 LEU H . . . . . . . . . . 6 . 27926 1 61 1 1 . . 8.124 . . 1 . 1 1 4 ASP H . . . . . . . . . . 21 . 27926 1 61 2 1 . . 8.124 . . 1 . 1 1 4 ASP H . . . . . . . . . . 21 . 27926 1 62 1 1 . . 7.758 . . 1 . 1 1 12 SER H . . . . . . . . . . 47 . 27926 1 62 2 1 . . 7.753 . . 1 . 1 1 12 SER H . . . . . . . . . . 47 . 27926 1 63 1 1 . . 6.884 . . 1 . 1 1 2 TYR QE . . . . . . . . . . 62 . 27926 1 63 2 1 . . 7.187 . . 1 . 1 1 2 TYR QD . . . . . . . . . . 63 . 27926 1 64 1 1 . . 7.194 . . 1 . 1 1 2 TYR QD . . . . . . . . . . 63 . 27926 1 64 2 1 . . 6.879 . . 1 . 1 1 2 TYR QE . . . . . . . . . . 62 . 27926 1 65 1 1 . . 7.830 . . 1 . 1 1 9 HIS HE1 . . . . . . . . . . 64 . 27926 1 65 2 1 . . 6.998 . . 1 . 1 1 9 HIS HD1 . . . . . . . . . . 65 . 27926 1 66 1 1 . . 7.004 . . 1 . 1 1 9 HIS HD1 . . . . . . . . . . 65 . 27926 1 66 2 1 . . 7.826 . . 1 . 1 1 9 HIS HE1 . . . . . . . . . . 64 . 27926 1 67 1 1 . . 6.849 . . 1 . 1 1 5 GLN HE21 . . . . . . . . . . 66 . 27926 1 67 2 1 . . 7.565 . . 1 . 1 1 5 GLN HE22 . . . . . . . . . . 67 . 27926 1 68 1 1 . . 6.846 . . 1 . 1 1 7 GLN HE21 . . . . . . . . . . 68 . 27926 1 68 2 1 . . 7.458 . . 1 . 1 1 7 GLN HE22 . . . . . . . . . . 69 . 27926 1 70 1 1 . . 7.463 . . 1 . 1 1 7 GLN HE22 . . . . . . . . . . 69 . 27926 1 70 2 1 . . 6.841 . . 1 . 1 1 7 GLN HE21 . . . . . . . . . . 68 . 27926 1 71 1 1 . . 7.568 . . 1 . 1 1 5 GLN HE22 . . . . . . . . . . 67 . 27926 1 71 2 1 . . 6.844 . . 1 . 1 1 5 GLN HE21 . . . . . . . . . . 66 . 27926 1 72 1 1 . . 7.005 . . 1 . 1 1 16 LYS QZ . . . . . . . . . . 70 . 27926 1 72 2 1 . . 3.123 . . 1 . 1 1 16 LYS HE2 . . . . . . . . . . 43 . 27926 1 73 1 1 . . 8.268 . . 1 . 1 1 5 GLN H . . . . . . . . . . 8 . 27926 1 73 2 1 . . 2.179 . . 1 . 1 1 5 GLN HB2 . . . . . . . . . . 71 . 27926 1 74 1 1 . . 8.267 . . 1 . 1 1 5 GLN H . . . . . . . . . . 8 . 27926 1 74 2 1 . . 2.504 . . 1 . 1 1 5 GLN HG2 . . . . . . . . . . 72 . 27926 1 75 1 1 . . 2.475 . . 1 . 1 1 7 GLN HG2 . . . . . . . . . . 3 . 27926 1 75 2 1 . . 4.261 . . 1 . 1 1 5 GLN HA . . . . . . . . . . 9 . 27926 1 76 1 1 . . 2.210 . . 1 . 1 1 5 GLN HB2 . . . . . . . . . . 71 . 27926 1 76 2 1 . . 4.261 . . 1 . 1 1 5 GLN HA . . . . . . . . . . 9 . 27926 1 77 1 2 . . 2.160 . . 1 . 1 1 5 GLN HB3 . . . . . . . . . . 74 . 27926 1 77 2 2 . . 4.259 . . 1 . 1 1 5 GLN HA . . . . . . . . . . 9 . 27926 1 78 1 1 . . 3.112 . . 1 . 1 1 9 HIS HB2 . . . . . . . . . . 75 . 27926 1 78 2 1 . . 4.472 . . 1 . 1 1 9 HIS HA . . . . . . . . . . 58 . 27926 1 80 1 1 . . 4.316 . . 1 . 1 1 13 LEU HA . . . . . . . . . . 7 . 27926 1 80 2 1 . . 1.637 . . 1 . 1 1 13 LEU HG . . . . . . . . . . 77 . 27926 1 81 1 1 . . 4.319 . . 1 . 1 1 13 LEU HA . . . . . . . . . . 7 . 27926 1 81 2 1 . . 1.770 . . 1 . 1 1 13 LEU HB2 . . . . . . . . . . 76 . 27926 1 82 1 1 . . 8.046 . . 1 . 1 1 10 LEU H . . . . . . . . . . 30 . 27926 1 82 2 1 . . 1.768 . . 1 . 1 1 10 LEU HG . . . . . . . . . . 78 . 27926 1 83 1 1 . . 1.904 . . 1 . 1 1 10 LEU HB2 . . . . . . . . . . 79 . 27926 1 83 2 1 . . 4.368 . . 1 . 1 1 10 LEU HA . . . . . . . . . . 31 . 27926 1 84 1 1 . . 1.733 . . 1 . 1 1 10 LEU HG . . . . . . . . . . 78 . 27926 1 84 2 1 . . 4.362 . . 1 . 1 1 10 LEU HA . . . . . . . . . . 31 . 27926 1 stop_ save_ save_peak_list_1_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_1_2 _Spectral_peak_list.Entry_ID 27926 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID . _Spectral_peak_list.Chem_shift_reference_label . _Spectral_peak_list.Experiment_ID 2 _Spectral_peak_list.Experiment_name '2D 1H-1H NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details 'Default list' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 1H . . 9803.92156863 . . . . . . . 27926 2 2 . . H 1 1H . . 9803.92156863 . . . . . . . 27926 2 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 27926 2 2 1.0 . . 27926 2 3 1.0 . . 27926 2 4 1.0 . . 27926 2 5 1.0 . . 27926 2 6 1.0 . . 27926 2 7 1.0 . . 27926 2 8 1.0 . . 27926 2 9 1.0 . . 27926 2 10 1.0 . . 27926 2 11 1.0 . . 27926 2 12 1.0 . . 27926 2 13 1.0 . . 27926 2 14 1.0 . . 27926 2 15 1.0 . . 27926 2 16 1.0 . . 27926 2 17 1.0 . . 27926 2 18 1.0 . . 27926 2 19 1.0 . . 27926 2 20 1.0 . . 27926 2 21 1.0 . . 27926 2 22 1.0 . . 27926 2 23 1.0 . . 27926 2 24 1.0 . . 27926 2 25 1.0 . . 27926 2 26 1.0 . . 27926 2 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 96303.0 . height 27926 2 1 797277.0 . volume 27926 2 2 190213.0 . height 27926 2 2 1581765.0 . volume 27926 2 3 201413.0 . height 27926 2 3 1650832.0 . volume 27926 2 4 126339.0 . height 27926 2 4 1035480.0 . volume 27926 2 5 36783.0 . height 27926 2 5 299483.0 . volume 27926 2 6 482128.0 . height 27926 2 6 4090752.0 . volume 27926 2 7 149903.0 . height 27926 2 7 1202257.0 . volume 27926 2 8 42165.0 . height 27926 2 8 358158.0 . volume 27926 2 9 32393.0 . height 27926 2 9 264902.0 . volume 27926 2 10 77392.0 . height 27926 2 10 546468.0 . volume 27926 2 11 69359.0 . height 27926 2 11 574680.0 . volume 27926 2 12 27185.0 . height 27926 2 12 235875.0 . volume 27926 2 13 36489.0 . height 27926 2 13 169921.0 . volume 27926 2 14 113975.0 . height 27926 2 14 588552.0 . volume 27926 2 15 401130.0 . height 27926 2 15 1875239.0 . volume 27926 2 16 22277.0 . height 27926 2 16 175345.0 . volume 27926 2 17 44290.0 . height 27926 2 17 382263.0 . volume 27926 2 18 34027.0 . height 27926 2 18 297426.0 . volume 27926 2 19 34147.0 . height 27926 2 19 286501.0 . volume 27926 2 20 25051.0 . height 27926 2 20 206686.0 . volume 27926 2 21 24070.0 . height 27926 2 21 192604.0 . volume 27926 2 22 45913.0 . height 27926 2 22 388122.0 . volume 27926 2 23 164226.0 . height 27926 2 23 845927.0 . volume 27926 2 24 213445.0 . height 27926 2 24 2185619.0 . volume 27926 2 25 74843.0 . height 27926 2 25 658662.0 . volume 27926 2 26 60159.0 . height 27926 2 26 380460.0 . volume 27926 2 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 8.288 . 21.4934641240 . . . . . . . . . . . 27926 2 1 2 3.987 . 748.8771396520 . . . . . . . . . . . 27926 2 2 1 8.254 . 27.9444982024 . . . . . . . . . . . 27926 2 2 2 4.376 . 105.5440481970 . . . . . . . . . . . 27926 2 3 1 8.148 . 20.6798899407 . . . . . . . . . . . 27926 2 3 2 4.270 . 88.6934645036 . . . . . . . . . . . 27926 2 4 1 8.144 . 23.1175446043 . . . . . . . . . . . 27926 2 4 2 3.815 . 90.3647319943 . . . . . . . . . . . 27926 2 5 1 8.052 . 41.2548873939 . . . . . . . . . . . 27926 2 5 2 3.976 . 105.4867809890 . . . . . . . . . . . 27926 2 6 1 7.760 . 17.5719752031 . . . . . . . . . . . 27926 2 6 2 4.650 . 143.1154269800 . . . . . . . . . . . 27926 2 7 1 8.147 . 21.3066152498 . . . . . . . . . . . 27926 2 7 2 8.318 . 240.7149649130 . . . . . . . . . . . 27926 2 8 1 7.992 . 18.1987005122 . . . . . . . . . . . 27926 2 8 2 8.174 . 285.8738104500 . . . . . . . . . . . 27926 2 9 1 8.300 . 32.4982638453 . . . . . . . . . . . 27926 2 9 2 7.966 . 91.4516402226 . . . . . . . . . . . 27926 2 10 1 8.151 . 19.3767687854 . . . . . . . . . . . 27926 2 10 2 7.971 . 54.7442366095 . . . . . . . . . . . 27926 2 12 1 8.000 . 19.6896931704 . . . . . . . . . . . 27926 2 12 2 3.997 . 152.4587472280 . . . . . . . . . . . 27926 2 13 1 7.832 . 12.1543804804 . . . . . . . . . . . 27926 2 13 2 8.348 . 31.4183679282 . . . . . . . . . . . 27926 2 14 1 7.763 . 16.4871122323 . . . . . . . . . . . 27926 2 14 2 8.061 . 32.1225208395 . . . . . . . . . . . 27926 2 15 1 7.761 . 16.9212911643 . . . . . . . . . . . 27926 2 15 2 7.955 . 29.1332310321 . . . . . . . . . . . 27926 2 16 1 8.245 . 12.0290354186 . . . . . . . . . . . 27926 2 16 2 8.030 . 110.4512051040 . . . . . . . . . . . 27926 2 17 1 8.046 . 13.9095035254 . . . . . . . . . . . 27926 2 17 2 8.235 . 239.3295951920 . . . . . . . . . . . 27926 2 18 1 8.275 . 14.7467442587 . . . . . . . . . . . 27926 2 18 2 7.997 . 362.6884198660 . . . . . . . . . . . 27926 2 19 1 7.991 . 16.5405811048 . . . . . . . . . . . 27926 2 19 2 8.264 . 292.6918221450 . . . . . . . . . . . 27926 2 20 1 8.292 . 12.2039049279 . . . . . . . . . . . 27926 2 20 2 3.806 . 986.7700875970 . . . . . . . . . . . 27926 2 21 1 8.246 . 12.8363277398 . . . . . . . . . . . 27926 2 21 2 3.856 . 231.6429334530 . . . . . . . . . . . 27926 2 22 1 8.223 . 23.6469740961 . . . . . . . . . . . 27926 2 22 2 4.160 . 346.8820861740 . . . . . . . . . . . 27926 2 26 1 7.766 . 14.7343266244 . . . . . . . . . . . 27926 2 26 2 8.178 . 43.4699011784 . . . . . . . . . . . 27926 2 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 1 . . 8.288 . . 1 . 1 1 7 GLN H . . . . . . . . . . 1 . 27926 2 1 2 1 . . 3.987 . . 1 . 1 1 6 ILE HA . . . . . . . . . . 15 . 27926 2 2 1 1 . . 8.254 . . 1 . 1 1 15 ASP H . . . . . . . . . . 10 . 27926 2 2 2 1 . . 4.376 . . 1 . 1 1 14 LYS HA . . . . . . . . . . 25 . 27926 2 3 1 1 . . 8.148 . . 1 . 1 1 6 ILE H . . . . . . . . . . 14 . 27926 2 3 2 1 . . 4.270 . . 1 . 1 1 5 GLN HA . . . . . . . . . . 9 . 27926 2 4 1 1 . . 8.144 . . 1 . 1 1 6 ILE H . . . . . . . . . . 14 . 27926 2 4 2 1 . . 3.815 . . 1 . 1 1 3 GLY HA2 . . . . . . . . . . 60 . 27926 2 5 1 1 . . 8.052 . . 1 . 1 1 10 LEU H . . . . . . . . . . 30 . 27926 2 5 2 1 . . 3.976 . . 1 . 1 1 6 ILE HA . . . . . . . . . . 15 . 27926 2 6 1 1 . . 7.760 . . 1 . 1 1 16 LYS H . . . . . . . . . . 42 . 27926 2 6 2 1 . . 4.650 . . 1 . 1 1 15 ASP HA . . . . . . . . . . 11 . 27926 2 7 1 1 . . 8.147 . . 1 . 1 1 6 ILE H . . . . . . . . . . 14 . 27926 2 7 2 1 . . 8.318 . . 1 . 1 1 7 GLN H . . . . . . . . . . 1 . 27926 2 8 1 1 . . 7.992 . . 1 . 1 1 9 HIS H . . . . . . . . . . 57 . 27926 2 8 2 2 . . 8.174 . . 1 . 1 1 11 GLY H . . . . . . . . . . 50 . 27926 2 9 1 1 . . 8.300 . . 1 . 1 1 7 GLN H . . . . . . . . . . 1 . 27926 2 9 2 1 . . 7.966 . . 1 . 1 1 9 HIS H . . . . . . . . . . 57 . 27926 2 10 1 2 . . 8.151 . . 1 . 1 1 11 GLY H . . . . . . . . . . 50 . 27926 2 10 2 1 . . 7.971 . . 1 . 1 1 9 HIS H . . . . . . . . . . 57 . 27926 2 12 1 2 . . 8.000 . . 1 . 1 1 9 HIS H . . . . . . . . . . 57 . 27926 2 12 2 2 . . 3.997 . . 1 . 1 1 6 ILE HA . . . . . . . . . . 15 . 27926 2 13 1 1 . . 7.832 . . 1 . 1 1 2 TYR H . . . . . . . . . . 39 . 27926 2 13 2 1 . . 8.348 . . 1 . 1 1 3 GLY H . . . . . . . . . . 59 . 27926 2 14 1 1 . . 7.763 . . 1 . 1 1 12 SER H . . . . . . . . . . 47 . 27926 2 14 2 1 . . 8.061 . . 1 . 1 1 10 LEU H . . . . . . . . . . 30 . 27926 2 15 1 1 . . 7.761 . . 1 . 1 1 8 LYS H . . . . . . . . . . 33 . 27926 2 15 2 1 . . 7.955 . . 1 . 1 1 9 HIS H . . . . . . . . . . 57 . 27926 2 16 1 1 . . 8.245 . . 1 . 1 1 15 ASP H . . . . . . . . . . 10 . 27926 2 16 2 1 . . 8.030 . . 1 . 1 1 14 LYS H . . . . . . . . . . 24 . 27926 2 17 1 1 . . 8.046 . . 1 . 1 1 14 LYS H . . . . . . . . . . 24 . 27926 2 17 2 1 . . 8.235 . . 1 . 1 1 15 ASP H . . . . . . . . . . 10 . 27926 2 18 1 1 . . 8.275 . . 1 . 1 1 7 GLN H . . . . . . . . . . 1 . 27926 2 18 2 1 . . 7.997 . . 1 . 1 1 9 HIS H . . . . . . . . . . 57 . 27926 2 19 1 1 . . 7.991 . . 1 . 1 1 9 HIS H . . . . . . . . . . 57 . 27926 2 19 2 1 . . 8.264 . . 1 . 1 1 7 GLN H . . . . . . . . . . 1 . 27926 2 20 1 1 . . 8.292 . . 1 . 1 1 7 GLN H . . . . . . . . . . 1 . 27926 2 20 2 1 . . 3.806 . . 1 . 1 1 3 GLY HA2 . . . . . . . . . . 60 . 27926 2 21 1 1 . . 8.246 . . 1 . 1 1 5 GLN H . . . . . . . . . . 8 . 27926 2 21 2 1 . . 3.856 . . 1 . 1 1 3 GLY HA2 . . . . . . . . . . 60 . 27926 2 22 1 1 . . 8.223 . . 1 . 1 1 5 GLN H . . . . . . . . . . 8 . 27926 2 22 2 1 . . 4.160 . . 1 . 1 1 1 GLU HA . . . . . . . . . . 53 . 27926 2 26 1 1 . . 7.766 . . 1 . 1 1 8 LYS H . . . . . . . . . . 33 . 27926 2 26 2 1 . . 8.178 . . 1 . 1 1 6 ILE H . . . . . . . . . . 14 . 27926 2 stop_ save_