data_34892 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34892 _Entry.Title ; Solution NMR structure of Integrin beta-1 TMD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-01-16 _Entry.Accession_date 2024-01-16 _Entry.Last_release_date 2024-06-20 _Entry.Original_release_date 2024-06-20 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 . _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 C. Muhle-Goll C. . . . 34892 2 C. Moser C. . . . 34892 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'MEMBRANE PROTEIN' . 34892 'Transmembrane helix' . 34892 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34892 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 133 34892 '15N chemical shifts' 34 34892 '1H chemical shifts' 275 34892 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 . . 2024-06-24 . original BMRB . 34892 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8RPQ 'BMRB Entry Tracking System' 34892 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34892 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38525994 _Citation.DOI 10.1021/acschemneuro.4c00068 _Citation.Full_citation . _Citation.Title ; Substrate Selection Criteria in Regulated Intramembrane Proteolysis. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Acs Chem. Neurosci.' _Citation.Journal_name_full . _Citation.Journal_volume 15 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1948-7193 _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 1321 _Citation.Page_last 1334 _Citation.Year 2024 _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 C. Moser C. . . . 34892 1 2 N. Guschtschin-Schmidt N. . . . 34892 1 3 M. Silber M. . . . 34892 1 4 J. Flum J. . . . 34892 1 5 C. Muhle-Goll C. . . . 34892 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34892 _Assembly.ID 1 _Assembly.Name 'Integrin beta-1' _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 unit_1 1 $entity_1 A A yes . . . . . . 34892 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34892 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPDIIPIVAGVVAGIVLIGL ALLLIWKLLMIIHDRR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 36 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3876.872 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Fibronectin receptor subunit beta' common 34892 1 GPIIA common 34892 1 'Glycoprotein IIa' common 34892 1 'VLA-4 subunit beta' common 34892 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 726 GLY . 34892 1 2 727 PRO . 34892 1 3 728 ASP . 34892 1 4 729 ILE . 34892 1 5 730 ILE . 34892 1 6 731 PRO . 34892 1 7 732 ILE . 34892 1 8 733 VAL . 34892 1 9 734 ALA . 34892 1 10 735 GLY . 34892 1 11 736 VAL . 34892 1 12 737 VAL . 34892 1 13 738 ALA . 34892 1 14 739 GLY . 34892 1 15 740 ILE . 34892 1 16 741 VAL . 34892 1 17 742 LEU . 34892 1 18 743 ILE . 34892 1 19 744 GLY . 34892 1 20 745 LEU . 34892 1 21 746 ALA . 34892 1 22 747 LEU . 34892 1 23 748 LEU . 34892 1 24 749 LEU . 34892 1 25 750 ILE . 34892 1 26 751 TRP . 34892 1 27 752 LYS . 34892 1 28 753 LEU . 34892 1 29 754 LEU . 34892 1 30 755 MET . 34892 1 31 756 ILE . 34892 1 32 757 ILE . 34892 1 33 758 HIS . 34892 1 34 759 ASP . 34892 1 35 760 ARG . 34892 1 36 761 ARG . 34892 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 34892 1 . PRO 2 2 34892 1 . ASP 3 3 34892 1 . ILE 4 4 34892 1 . ILE 5 5 34892 1 . PRO 6 6 34892 1 . ILE 7 7 34892 1 . VAL 8 8 34892 1 . ALA 9 9 34892 1 . GLY 10 10 34892 1 . VAL 11 11 34892 1 . VAL 12 12 34892 1 . ALA 13 13 34892 1 . GLY 14 14 34892 1 . ILE 15 15 34892 1 . VAL 16 16 34892 1 . LEU 17 17 34892 1 . ILE 18 18 34892 1 . GLY 19 19 34892 1 . LEU 20 20 34892 1 . ALA 21 21 34892 1 . LEU 22 22 34892 1 . LEU 23 23 34892 1 . LEU 24 24 34892 1 . ILE 25 25 34892 1 . TRP 26 26 34892 1 . LYS 27 27 34892 1 . LEU 28 28 34892 1 . LEU 29 29 34892 1 . MET 30 30 34892 1 . ILE 31 31 34892 1 . ILE 32 32 34892 1 . HIS 33 33 34892 1 . ASP 34 34 34892 1 . ARG 35 35 34892 1 . ARG 36 36 34892 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 34892 _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 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 34892 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 34892 _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 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . 34892 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34892 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 uM NA Itgb1, trifluoroethanol/water' _Sample.Aggregate_sample_number . _Sample.Solvent_system trifluoroethanol/water _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 Itgb1 'natural abundance' . . 1 $entity_1 . . 0.5 . . uM 0.2 . . . 34892 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 34892 _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 'ionic strength' 0 0.2 'Not defined' 34892 1 pH 6.5 0.2 pH 34892 1 pressure 1 . atm 34892 1 temperature 300 . K 34892 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34892 _Software.ID 1 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34892 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34892 1 'peak picking' . 34892 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34892 _Software.ID 2 _Software.Type . _Software.Name ARIA _Software.Version 2.3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34892 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34892 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34892 _Software.ID 3 _Software.Type . _Software.Name ARIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34892 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34892 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34892 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'TXI cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 34892 _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 NMR_spectrometer_1 Bruker 'AVANCE III' . 600 . . . 34892 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 34892 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34892 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34892 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34892 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34892 _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 C 13 TFE 'methylene carbons' . . . . ppm 61.5 internal direct 1 . . . . . 34892 1 H 1 TFE 'methylene protons' . . . . ppm 3.88 internal direct 1 . . . . . 34892 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34892 _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 $chem_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' . . . 34892 1 2 '2D 1H-13C HSQC' . . . 34892 1 3 '2D 1H-15N HSQC' . . . 34892 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 2 2 PRO HA H 1 4.399 . . . . . . . A 727 PRO HA . 34892 1 2 . 1 . 1 2 2 PRO HB2 H 1 2.296 . . . . . . . A 727 PRO HB2 . 34892 1 3 . 1 . 1 2 2 PRO HB3 H 1 2.040 . . . . . . . A 727 PRO HB3 . 34892 1 4 . 1 . 1 2 2 PRO HG2 H 1 2.045 . . . . . . . A 727 PRO HG2 . 34892 1 5 . 1 . 1 2 2 PRO HG3 H 1 2.043 . . . . . . . A 727 PRO HG3 . 34892 1 6 . 1 . 1 2 2 PRO HD2 H 1 3.683 . . . . . . . A 727 PRO HD2 . 34892 1 7 . 1 . 1 2 2 PRO HD3 H 1 3.503 . . . . . . . A 727 PRO HD3 . 34892 1 8 . 1 . 1 2 2 PRO CA C 13 63.488 . . . . . . . A 727 PRO CA . 34892 1 9 . 1 . 1 2 2 PRO CB C 13 30.788 . . . . . . . A 727 PRO CB . 34892 1 10 . 1 . 1 2 2 PRO CG C 13 25.959 . . . . . . . A 727 PRO CG . 34892 1 11 . 1 . 1 2 2 PRO CD C 13 48.372 . . . . . . . A 727 PRO CD . 34892 1 12 . 1 . 1 3 3 ASP H H 1 8.587 . . . . . . . A 728 ASP H . 34892 1 13 . 1 . 1 3 3 ASP HA H 1 4.448 . . . . . . . A 728 ASP HA . 34892 1 14 . 1 . 1 3 3 ASP HB2 H 1 2.690 . . 2 . . . . A 728 ASP HB2 . 34892 1 15 . 1 . 1 3 3 ASP HB3 H 1 2.690 . . 2 . . . . A 728 ASP HB3 . 34892 1 16 . 1 . 1 3 3 ASP CA C 13 54.245 . . . . . . . A 728 ASP CA . 34892 1 17 . 1 . 1 3 3 ASP CB C 13 38.836 . . . . . . . A 728 ASP CB . 34892 1 18 . 1 . 1 3 3 ASP N N 15 116.044 . . . . . . . A 728 ASP N . 34892 1 19 . 1 . 1 4 4 ILE H H 1 7.593 . . . . . . . A 729 ILE H . 34892 1 20 . 1 . 1 4 4 ILE HA H 1 4.425 . . . . . . . A 729 ILE HA . 34892 1 21 . 1 . 1 4 4 ILE HB H 1 2.077 . . . . . . . A 729 ILE HB . 34892 1 22 . 1 . 1 4 4 ILE HG12 H 1 1.404 . . . . . . . A 729 ILE HG12 . 34892 1 23 . 1 . 1 4 4 ILE HG13 H 1 1.497 . . . . . . . A 729 ILE HG13 . 34892 1 24 . 1 . 1 4 4 ILE HG21 H 1 0.988 . . . . . . . A 729 ILE HG21 . 34892 1 25 . 1 . 1 4 4 ILE HG22 H 1 0.988 . . . . . . . A 729 ILE HG22 . 34892 1 26 . 1 . 1 4 4 ILE HG23 H 1 0.988 . . . . . . . A 729 ILE HG23 . 34892 1 27 . 1 . 1 4 4 ILE HD11 H 1 0.907 . . . . . . . A 729 ILE HD11 . 34892 1 28 . 1 . 1 4 4 ILE HD12 H 1 0.907 . . . . . . . A 729 ILE HD12 . 34892 1 29 . 1 . 1 4 4 ILE HD13 H 1 0.907 . . . . . . . A 729 ILE HD13 . 34892 1 30 . 1 . 1 4 4 ILE CA C 13 60.721 . . . . . . . A 729 ILE CA . 34892 1 31 . 1 . 1 4 4 ILE CB C 13 38.646 . . . . . . . A 729 ILE CB . 34892 1 32 . 1 . 1 4 4 ILE CG1 C 13 26.830 . . . . . . . A 729 ILE CG1 . 34892 1 33 . 1 . 1 4 4 ILE CG2 C 13 16.579 . . . . . . . A 729 ILE CG2 . 34892 1 34 . 1 . 1 4 4 ILE CD1 C 13 11.986 . . . . . . . A 729 ILE CD1 . 34892 1 35 . 1 . 1 4 4 ILE N N 15 114.812 . . . . . . . A 729 ILE N . 34892 1 36 . 1 . 1 5 5 ILE H H 1 7.675 . . . . . . . A 730 ILE H . 34892 1 37 . 1 . 1 5 5 ILE HA H 1 3.970 . . . . . . . A 730 ILE HA . 34892 1 38 . 1 . 1 5 5 ILE HB H 1 2.133 . . . . . . . A 730 ILE HB . 34892 1 39 . 1 . 1 5 5 ILE HG12 H 1 1.286 . . . . . . . A 730 ILE HG12 . 34892 1 40 . 1 . 1 5 5 ILE HG13 H 1 1.726 . . . . . . . A 730 ILE HG13 . 34892 1 41 . 1 . 1 5 5 ILE HG21 H 1 0.946 . . . . . . . A 730 ILE HG21 . 34892 1 42 . 1 . 1 5 5 ILE HG22 H 1 0.946 . . . . . . . A 730 ILE HG22 . 34892 1 43 . 1 . 1 5 5 ILE HG23 H 1 0.946 . . . . . . . A 730 ILE HG23 . 34892 1 44 . 1 . 1 5 5 ILE HD11 H 1 0.852 . . . . . . . A 730 ILE HD11 . 34892 1 45 . 1 . 1 5 5 ILE HD12 H 1 0.852 . . . . . . . A 730 ILE HD12 . 34892 1 46 . 1 . 1 5 5 ILE HD13 H 1 0.852 . . . . . . . A 730 ILE HD13 . 34892 1 47 . 1 . 1 5 5 ILE CA C 13 64.875 . . . . . . . A 730 ILE CA . 34892 1 48 . 1 . 1 5 5 ILE CB C 13 35.039 . . . . . . . A 730 ILE CB . 34892 1 49 . 1 . 1 5 5 ILE CG1 C 13 28.479 . . . . . . . A 730 ILE CG1 . 34892 1 50 . 1 . 1 5 5 ILE CG2 C 13 15.694 . . . . . . . A 730 ILE CG2 . 34892 1 51 . 1 . 1 5 5 ILE CD1 C 13 14.539 . . . . . . . A 730 ILE CD1 . 34892 1 52 . 1 . 1 5 5 ILE N N 15 122.771 . . . . . . . A 730 ILE N . 34892 1 53 . 1 . 1 6 6 PRO HA H 1 4.290 . . . . . . . A 731 PRO HA . 34892 1 54 . 1 . 1 6 6 PRO HB2 H 1 1.809 . . . . . . . A 731 PRO HB2 . 34892 1 55 . 1 . 1 6 6 PRO HB3 H 1 2.334 . . . . . . . A 731 PRO HB3 . 34892 1 56 . 1 . 1 6 6 PRO HG2 H 1 1.932 . . . . . . . A 731 PRO HG2 . 34892 1 57 . 1 . 1 6 6 PRO HG3 H 1 2.131 . . . . . . . A 731 PRO HG3 . 34892 1 58 . 1 . 1 6 6 PRO HD2 H 1 3.723 . . . . . . . A 731 PRO HD2 . 34892 1 59 . 1 . 1 6 6 PRO HD3 H 1 3.665 . . . . . . . A 731 PRO HD3 . 34892 1 60 . 1 . 1 6 6 PRO CA C 13 65.057 . . . . . . . A 731 PRO CA . 34892 1 61 . 1 . 1 6 6 PRO CB C 13 30.417 . . . . . . . A 731 PRO CB . 34892 1 62 . 1 . 1 6 6 PRO CG C 13 27.407 . . . . . . . A 731 PRO CG . 34892 1 63 . 1 . 1 6 6 PRO CD C 13 49.237 . . . . . . . A 731 PRO CD . 34892 1 64 . 1 . 1 7 7 ILE H H 1 7.201 . . . . . . . A 732 ILE H . 34892 1 65 . 1 . 1 7 7 ILE HA H 1 3.904 . . . . . . . A 732 ILE HA . 34892 1 66 . 1 . 1 7 7 ILE HB H 1 2.161 . . . . . . . A 732 ILE HB . 34892 1 67 . 1 . 1 7 7 ILE HG12 H 1 1.231 . . . . . . . A 732 ILE HG12 . 34892 1 68 . 1 . 1 7 7 ILE HG13 H 1 1.665 . . . . . . . A 732 ILE HG13 . 34892 1 69 . 1 . 1 7 7 ILE HG21 H 1 0.946 . . . . . . . A 732 ILE HG21 . 34892 1 70 . 1 . 1 7 7 ILE HG22 H 1 0.946 . . . . . . . A 732 ILE HG22 . 34892 1 71 . 1 . 1 7 7 ILE HG23 H 1 0.946 . . . . . . . A 732 ILE HG23 . 34892 1 72 . 1 . 1 7 7 ILE HD11 H 1 0.937 . . . . . . . A 732 ILE HD11 . 34892 1 73 . 1 . 1 7 7 ILE HD12 H 1 0.937 . . . . . . . A 732 ILE HD12 . 34892 1 74 . 1 . 1 7 7 ILE HD13 H 1 0.937 . . . . . . . A 732 ILE HD13 . 34892 1 75 . 1 . 1 7 7 ILE CA C 13 63.343 . . . . . . . A 732 ILE CA . 34892 1 76 . 1 . 1 7 7 ILE CB C 13 37.340 . . . . . . . A 732 ILE CB . 34892 1 77 . 1 . 1 7 7 ILE CG1 C 13 27.527 . . . . . . . A 732 ILE CG1 . 34892 1 78 . 1 . 1 7 7 ILE CG2 C 13 15.694 . . . . . . . A 732 ILE CG2 . 34892 1 79 . 1 . 1 7 7 ILE CD1 C 13 10.569 . . . . . . . A 732 ILE CD1 . 34892 1 80 . 1 . 1 7 7 ILE N N 15 116.256 . . . . . . . A 732 ILE N . 34892 1 81 . 1 . 1 8 8 VAL H H 1 7.881 . . . . . . . A 733 VAL H . 34892 1 82 . 1 . 1 8 8 VAL HA H 1 3.661 . . . . . . . A 733 VAL HA . 34892 1 83 . 1 . 1 8 8 VAL HB H 1 2.171 . . . . . . . A 733 VAL HB . 34892 1 84 . 1 . 1 8 8 VAL HG11 H 1 1.056 . . . . . . . A 733 VAL HG11 . 34892 1 85 . 1 . 1 8 8 VAL HG12 H 1 1.056 . . . . . . . A 733 VAL HG12 . 34892 1 86 . 1 . 1 8 8 VAL HG13 H 1 1.056 . . . . . . . A 733 VAL HG13 . 34892 1 87 . 1 . 1 8 8 VAL HG21 H 1 0.983 . . . . . . . A 733 VAL HG21 . 34892 1 88 . 1 . 1 8 8 VAL HG22 H 1 0.983 . . . . . . . A 733 VAL HG22 . 34892 1 89 . 1 . 1 8 8 VAL HG23 H 1 0.983 . . . . . . . A 733 VAL HG23 . 34892 1 90 . 1 . 1 8 8 VAL CA C 13 66.130 . . . . . . . A 733 VAL CA . 34892 1 91 . 1 . 1 8 8 VAL CB C 13 31.329 . . . . . . . A 733 VAL CB . 34892 1 92 . 1 . 1 8 8 VAL CG1 C 13 21.003 . . . . . . . A 733 VAL CG1 . 34892 1 93 . 1 . 1 8 8 VAL CG2 C 13 19.774 . . . . . . . A 733 VAL CG2 . 34892 1 94 . 1 . 1 8 8 VAL N N 15 119.859 . . . . . . . A 733 VAL N . 34892 1 95 . 1 . 1 9 9 ALA H H 1 8.702 . . . . . . . A 734 ALA H . 34892 1 96 . 1 . 1 9 9 ALA HA H 1 4.059 . . . . . . . A 734 ALA HA . 34892 1 97 . 1 . 1 9 9 ALA HB1 H 1 1.448 . . . . . . . A 734 ALA HB1 . 34892 1 98 . 1 . 1 9 9 ALA HB2 H 1 1.448 . . . . . . . A 734 ALA HB2 . 34892 1 99 . 1 . 1 9 9 ALA HB3 H 1 1.448 . . . . . . . A 734 ALA HB3 . 34892 1 100 . 1 . 1 9 9 ALA CA C 13 54.620 . . . . . . . A 734 ALA CA . 34892 1 101 . 1 . 1 9 9 ALA CB C 13 16.980 . . . . . . . A 734 ALA CB . 34892 1 102 . 1 . 1 9 9 ALA N N 15 120.220 . . . . . . . A 734 ALA N . 34892 1 103 . 1 . 1 10 10 GLY H H 1 7.676 . . . . . . . A 735 GLY H . 34892 1 104 . 1 . 1 10 10 GLY HA2 H 1 3.937 . . 2 . . . . A 735 GLY HA2 . 34892 1 105 . 1 . 1 10 10 GLY HA3 H 1 3.937 . . 2 . . . . A 735 GLY HA3 . 34892 1 106 . 1 . 1 10 10 GLY CA C 13 45.926 . . . . . . . A 735 GLY CA . 34892 1 107 . 1 . 1 10 10 GLY N N 15 103.426 . . . . . . . A 735 GLY N . 34892 1 108 . 1 . 1 11 11 VAL H H 1 8.053 . . . . . . . A 736 VAL H . 34892 1 109 . 1 . 1 11 11 VAL HA H 1 3.822 . . . . . . . A 736 VAL HA . 34892 1 110 . 1 . 1 11 11 VAL HB H 1 2.378 . . . . . . . A 736 VAL HB . 34892 1 111 . 1 . 1 11 11 VAL HG11 H 1 1.104 . . . . . . . A 736 VAL HG11 . 34892 1 112 . 1 . 1 11 11 VAL HG12 H 1 1.104 . . . . . . . A 736 VAL HG12 . 34892 1 113 . 1 . 1 11 11 VAL HG13 H 1 1.104 . . . . . . . A 736 VAL HG13 . 34892 1 114 . 1 . 1 11 11 VAL HG21 H 1 0.986 . . . . . . . A 736 VAL HG21 . 34892 1 115 . 1 . 1 11 11 VAL HG22 H 1 0.986 . . . . . . . A 736 VAL HG22 . 34892 1 116 . 1 . 1 11 11 VAL HG23 H 1 0.986 . . . . . . . A 736 VAL HG23 . 34892 1 117 . 1 . 1 11 11 VAL CA C 13 65.739 . . . . . . . A 736 VAL CA . 34892 1 118 . 1 . 1 11 11 VAL CB C 13 31.211 . . . . . . . A 736 VAL CB . 34892 1 119 . 1 . 1 11 11 VAL CG1 C 13 21.051 . . . . . . . A 736 VAL CG1 . 34892 1 120 . 1 . 1 11 11 VAL CG2 C 13 19.705 . . . . . . . A 736 VAL CG2 . 34892 1 121 . 1 . 1 11 11 VAL N N 15 124.017 . . . . . . . A 736 VAL N . 34892 1 122 . 1 . 1 12 12 VAL H H 1 8.336 . . . . . . . A 737 VAL H . 34892 1 123 . 1 . 1 12 12 VAL HA H 1 3.660 . . . . . . . A 737 VAL HA . 34892 1 124 . 1 . 1 12 12 VAL HB H 1 2.155 . . . . . . . A 737 VAL HB . 34892 1 125 . 1 . 1 12 12 VAL HG11 H 1 1.068 . . . . . . . A 737 VAL HG11 . 34892 1 126 . 1 . 1 12 12 VAL HG12 H 1 1.068 . . . . . . . A 737 VAL HG12 . 34892 1 127 . 1 . 1 12 12 VAL HG13 H 1 1.068 . . . . . . . A 737 VAL HG13 . 34892 1 128 . 1 . 1 12 12 VAL HG21 H 1 0.971 . . . . . . . A 737 VAL HG21 . 34892 1 129 . 1 . 1 12 12 VAL HG22 H 1 0.971 . . . . . . . A 737 VAL HG22 . 34892 1 130 . 1 . 1 12 12 VAL HG23 H 1 0.971 . . . . . . . A 737 VAL HG23 . 34892 1 131 . 1 . 1 12 12 VAL CA C 13 65.798 . . . . . . . A 737 VAL CA . 34892 1 132 . 1 . 1 12 12 VAL CB C 13 31.051 . . . . . . . A 737 VAL CB . 34892 1 133 . 1 . 1 12 12 VAL CG1 C 13 21.286 . . . . . . . A 737 VAL CG1 . 34892 1 134 . 1 . 1 12 12 VAL CG2 C 13 19.774 . . . . . . . A 737 VAL CG2 . 34892 1 135 . 1 . 1 12 12 VAL N N 15 119.601 . . . . . . . A 737 VAL N . 34892 1 136 . 1 . 1 13 13 ALA H H 1 8.151 . . . . . . . A 738 ALA H . 34892 1 137 . 1 . 1 13 13 ALA HA H 1 4.065 . . . . . . . A 738 ALA HA . 34892 1 138 . 1 . 1 13 13 ALA HB1 H 1 1.522 . . . . . . . A 738 ALA HB1 . 34892 1 139 . 1 . 1 13 13 ALA HB2 H 1 1.522 . . . . . . . A 738 ALA HB2 . 34892 1 140 . 1 . 1 13 13 ALA HB3 H 1 1.522 . . . . . . . A 738 ALA HB3 . 34892 1 141 . 1 . 1 13 13 ALA CA C 13 54.620 . . . . . . . A 738 ALA CA . 34892 1 142 . 1 . 1 13 13 ALA CB C 13 16.889 . . . . . . . A 738 ALA CB . 34892 1 143 . 1 . 1 13 13 ALA N N 15 119.639 . . . . . . . A 738 ALA N . 34892 1 144 . 1 . 1 14 14 GLY H H 1 7.719 . . . . . . . A 739 GLY H . 34892 1 145 . 1 . 1 14 14 GLY HA2 H 1 3.937 . . . . . . . A 739 GLY HA2 . 34892 1 146 . 1 . 1 14 14 GLY HA3 H 1 3.881 . . . . . . . A 739 GLY HA3 . 34892 1 147 . 1 . 1 14 14 GLY CA C 13 46.373 . . . . . . . A 739 GLY CA . 34892 1 148 . 1 . 1 14 14 GLY N N 15 103.034 . . . . . . . A 739 GLY N . 34892 1 149 . 1 . 1 15 15 ILE H H 1 7.905 . . . . . . . A 740 ILE H . 34892 1 150 . 1 . 1 15 15 ILE HA H 1 3.849 . . . . . . . A 740 ILE HA . 34892 1 151 . 1 . 1 15 15 ILE HB H 1 2.158 . . . . . . . A 740 ILE HB . 34892 1 152 . 1 . 1 15 15 ILE HG12 H 1 1.843 . . . . . . . A 740 ILE HG12 . 34892 1 153 . 1 . 1 15 15 ILE HG13 H 1 1.205 . . . . . . . A 740 ILE HG13 . 34892 1 154 . 1 . 1 15 15 ILE HG21 H 1 0.967 . . . . . . . A 740 ILE HG21 . 34892 1 155 . 1 . 1 15 15 ILE HG22 H 1 0.967 . . . . . . . A 740 ILE HG22 . 34892 1 156 . 1 . 1 15 15 ILE HG23 H 1 0.967 . . . . . . . A 740 ILE HG23 . 34892 1 157 . 1 . 1 15 15 ILE HD11 H 1 0.890 . . . . . . . A 740 ILE HD11 . 34892 1 158 . 1 . 1 15 15 ILE HD12 H 1 0.890 . . . . . . . A 740 ILE HD12 . 34892 1 159 . 1 . 1 15 15 ILE HD13 H 1 0.890 . . . . . . . A 740 ILE HD13 . 34892 1 160 . 1 . 1 15 15 ILE CA C 13 64.297 . . . . . . . A 740 ILE CA . 34892 1 161 . 1 . 1 15 15 ILE CB C 13 37.340 . . . . . . . A 740 ILE CB . 34892 1 162 . 1 . 1 15 15 ILE CG1 C 13 27.904 . . . . . . . A 740 ILE CG1 . 34892 1 163 . 1 . 1 15 15 ILE CG2 C 13 15.936 . . . . . . . A 740 ILE CG2 . 34892 1 164 . 1 . 1 15 15 ILE CD1 C 13 12.254 . . . . . . . A 740 ILE CD1 . 34892 1 165 . 1 . 1 15 15 ILE N N 15 121.248 . . . . . . . A 740 ILE N . 34892 1 166 . 1 . 1 16 16 VAL H H 1 8.217 . . . . . . . A 741 VAL H . 34892 1 167 . 1 . 1 16 16 VAL HA H 1 3.702 . . . . . . . A 741 VAL HA . 34892 1 168 . 1 . 1 16 16 VAL HB H 1 2.272 . . . . . . . A 741 VAL HB . 34892 1 169 . 1 . 1 16 16 VAL HG11 H 1 0.965 . . . . . . . A 741 VAL HG11 . 34892 1 170 . 1 . 1 16 16 VAL HG12 H 1 0.965 . . . . . . . A 741 VAL HG12 . 34892 1 171 . 1 . 1 16 16 VAL HG13 H 1 0.965 . . . . . . . A 741 VAL HG13 . 34892 1 172 . 1 . 1 16 16 VAL HG21 H 1 1.074 . . . . . . . A 741 VAL HG21 . 34892 1 173 . 1 . 1 16 16 VAL HG22 H 1 1.074 . . . . . . . A 741 VAL HG22 . 34892 1 174 . 1 . 1 16 16 VAL HG23 H 1 1.074 . . . . . . . A 741 VAL HG23 . 34892 1 175 . 1 . 1 16 16 VAL CA C 13 65.862 . . . . . . . A 741 VAL CA . 34892 1 176 . 1 . 1 16 16 VAL CB C 13 31.094 . . . . . . . A 741 VAL CB . 34892 1 177 . 1 . 1 16 16 VAL CG1 C 13 19.821 . . . . . . . A 741 VAL CG1 . 34892 1 178 . 1 . 1 16 16 VAL CG2 C 13 21.216 . . . . . . . A 741 VAL CG2 . 34892 1 179 . 1 . 1 16 16 VAL N N 15 121.165 . . . . . . . A 741 VAL N . 34892 1 180 . 1 . 1 17 17 LEU H H 1 8.266 . . . . . . . A 742 LEU H . 34892 1 181 . 1 . 1 17 17 LEU HA H 1 4.170 . . . . . . . A 742 LEU HA . 34892 1 182 . 1 . 1 17 17 LEU HB2 H 1 1.654 . . . . . . . A 742 LEU HB2 . 34892 1 183 . 1 . 1 17 17 LEU HB3 H 1 1.975 . . . . . . . A 742 LEU HB3 . 34892 1 184 . 1 . 1 17 17 LEU HG H 1 1.923 . . . . . . . A 742 LEU HG . 34892 1 185 . 1 . 1 17 17 LEU HD11 H 1 0.928 . . . . . . . A 742 LEU HD11 . 34892 1 186 . 1 . 1 17 17 LEU HD12 H 1 0.928 . . . . . . . A 742 LEU HD12 . 34892 1 187 . 1 . 1 17 17 LEU HD13 H 1 0.928 . . . . . . . A 742 LEU HD13 . 34892 1 188 . 1 . 1 17 17 LEU CA C 13 57.708 . . . . . . . A 742 LEU CA . 34892 1 189 . 1 . 1 17 17 LEU CB C 13 41.141 . . . . . . . A 742 LEU CB . 34892 1 190 . 1 . 1 17 17 LEU CG C 13 26.030 . . . . . . . A 742 LEU CG . 34892 1 191 . 1 . 1 17 17 LEU CD1 C 13 22.855 . . . . . . . A 742 LEU CD1 . 34892 1 192 . 1 . 1 17 17 LEU N N 15 119.472 . . . . . . . A 742 LEU N . 34892 1 193 . 1 . 1 18 18 ILE H H 1 8.177 . . . . . . . A 743 ILE H . 34892 1 194 . 1 . 1 18 18 ILE HA H 1 3.890 . . . . . . . A 743 ILE HA . 34892 1 195 . 1 . 1 18 18 ILE HB H 1 2.023 . . . . . . . A 743 ILE HB . 34892 1 196 . 1 . 1 18 18 ILE HG12 H 1 1.806 . . . . . . . A 743 ILE HG12 . 34892 1 197 . 1 . 1 18 18 ILE HG13 H 1 1.219 . . . . . . . A 743 ILE HG13 . 34892 1 198 . 1 . 1 18 18 ILE HG21 H 1 0.962 . . . . . . . A 743 ILE HG21 . 34892 1 199 . 1 . 1 18 18 ILE HG22 H 1 0.962 . . . . . . . A 743 ILE HG22 . 34892 1 200 . 1 . 1 18 18 ILE HG23 H 1 0.962 . . . . . . . A 743 ILE HG23 . 34892 1 201 . 1 . 1 18 18 ILE HD11 H 1 0.881 . . . . . . . A 743 ILE HD11 . 34892 1 202 . 1 . 1 18 18 ILE HD12 H 1 0.881 . . . . . . . A 743 ILE HD12 . 34892 1 203 . 1 . 1 18 18 ILE HD13 H 1 0.881 . . . . . . . A 743 ILE HD13 . 34892 1 204 . 1 . 1 18 18 ILE CA C 13 64.060 . . . . . . . A 743 ILE CA . 34892 1 205 . 1 . 1 18 18 ILE CB C 13 37.109 . . . . . . . A 743 ILE CB . 34892 1 206 . 1 . 1 18 18 ILE CG1 C 13 28.349 . . . . . . . A 743 ILE CG1 . 34892 1 207 . 1 . 1 18 18 ILE CG2 C 13 15.931 . . . . . . . A 743 ILE CG2 . 34892 1 208 . 1 . 1 18 18 ILE CD1 C 13 12.008 . . . . . . . A 743 ILE CD1 . 34892 1 209 . 1 . 1 18 18 ILE N N 15 118.564 . . . . . . . A 743 ILE N . 34892 1 210 . 1 . 1 19 19 GLY H H 1 8.000 . . . . . . . A 744 GLY H . 34892 1 211 . 1 . 1 19 19 GLY HA2 H 1 3.935 . . . . . . . A 744 GLY HA2 . 34892 1 212 . 1 . 1 19 19 GLY HA3 H 1 3.824 . . . . . . . A 744 GLY HA3 . 34892 1 213 . 1 . 1 19 19 GLY CA C 13 46.656 . . . . . . . A 744 GLY CA . 34892 1 214 . 1 . 1 19 19 GLY N N 15 106.422 . . . . . . . A 744 GLY N . 34892 1 215 . 1 . 1 20 20 LEU H H 1 8.180 . . . . . . . A 745 LEU H . 34892 1 216 . 1 . 1 20 20 LEU HA H 1 4.259 . . . . . . . A 745 LEU HA . 34892 1 217 . 1 . 1 20 20 LEU HB2 H 1 1.890 . . . . . . . A 745 LEU HB2 . 34892 1 218 . 1 . 1 20 20 LEU HB3 H 1 1.732 . . . . . . . A 745 LEU HB3 . 34892 1 219 . 1 . 1 20 20 LEU HG H 1 1.877 . . . . . . . A 745 LEU HG . 34892 1 220 . 1 . 1 20 20 LEU HD11 H 1 0.935 . . . . . . . A 745 LEU HD11 . 34892 1 221 . 1 . 1 20 20 LEU HD12 H 1 0.935 . . . . . . . A 745 LEU HD12 . 34892 1 222 . 1 . 1 20 20 LEU HD13 H 1 0.935 . . . . . . . A 745 LEU HD13 . 34892 1 223 . 1 . 1 20 20 LEU CA C 13 57.159 . . . . . . . A 745 LEU CA . 34892 1 224 . 1 . 1 20 20 LEU CB C 13 41.326 . . . . . . . A 745 LEU CB . 34892 1 225 . 1 . 1 20 20 LEU CG C 13 26.329 . . . . . . . A 745 LEU CG . 34892 1 226 . 1 . 1 20 20 LEU CD1 C 13 23.413 . . . . . . . A 745 LEU CD1 . 34892 1 227 . 1 . 1 20 20 LEU N N 15 121.426 . . . . . . . A 745 LEU N . 34892 1 228 . 1 . 1 21 21 ALA H H 1 8.095 . . . . . . . A 746 ALA H . 34892 1 229 . 1 . 1 21 21 ALA HA H 1 4.112 . . . . . . . A 746 ALA HA . 34892 1 230 . 1 . 1 21 21 ALA HB1 H 1 1.592 . . . . . . . A 746 ALA HB1 . 34892 1 231 . 1 . 1 21 21 ALA HB2 H 1 1.592 . . . . . . . A 746 ALA HB2 . 34892 1 232 . 1 . 1 21 21 ALA HB3 H 1 1.592 . . . . . . . A 746 ALA HB3 . 34892 1 233 . 1 . 1 21 21 ALA CA C 13 54.978 . . . . . . . A 746 ALA CA . 34892 1 234 . 1 . 1 21 21 ALA CB C 13 16.637 . . . . . . . A 746 ALA CB . 34892 1 235 . 1 . 1 21 21 ALA N N 15 120.536 . . . . . . . A 746 ALA N . 34892 1 236 . 1 . 1 22 22 LEU H H 1 8.262 . . . . . . . A 747 LEU H . 34892 1 237 . 1 . 1 22 22 LEU HA H 1 4.116 . . . . . . . A 747 LEU HA . 34892 1 238 . 1 . 1 22 22 LEU HB2 H 1 1.421 . . . . . . . A 747 LEU HB2 . 34892 1 239 . 1 . 1 22 22 LEU HG H 1 1.899 . . . . . . . A 747 LEU HG . 34892 1 240 . 1 . 1 22 22 LEU HD11 H 1 0.903 . . . . . . . A 747 LEU HD11 . 34892 1 241 . 1 . 1 22 22 LEU HD12 H 1 0.903 . . . . . . . A 747 LEU HD12 . 34892 1 242 . 1 . 1 22 22 LEU HD13 H 1 0.903 . . . . . . . A 747 LEU HD13 . 34892 1 243 . 1 . 1 22 22 LEU HD21 H 1 0.874 . . . . . . . A 747 LEU HD21 . 34892 1 244 . 1 . 1 22 22 LEU HD22 H 1 0.874 . . . . . . . A 747 LEU HD22 . 34892 1 245 . 1 . 1 22 22 LEU HD23 H 1 0.874 . . . . . . . A 747 LEU HD23 . 34892 1 246 . 1 . 1 22 22 LEU CA C 13 57.328 . . . . . . . A 747 LEU CA . 34892 1 247 . 1 . 1 22 22 LEU CB C 13 40.912 . . . . . . . A 747 LEU CB . 34892 1 248 . 1 . 1 22 22 LEU CG C 13 26.336 . . . . . . . A 747 LEU CG . 34892 1 249 . 1 . 1 22 22 LEU CD1 C 13 23.974 . . . . . . . A 747 LEU CD1 . 34892 1 250 . 1 . 1 22 22 LEU CD2 C 13 21.414 . . . . . . . A 747 LEU CD2 . 34892 1 251 . 1 . 1 22 22 LEU N N 15 116.108 . . . . . . . A 747 LEU N . 34892 1 252 . 1 . 1 23 23 LEU H H 1 7.837 . . . . . . . A 748 LEU H . 34892 1 253 . 1 . 1 23 23 LEU HA H 1 4.293 . . . . . . . A 748 LEU HA . 34892 1 254 . 1 . 1 23 23 LEU HB2 H 1 1.868 . . . . . . . A 748 LEU HB2 . 34892 1 255 . 1 . 1 23 23 LEU HB3 H 1 1.947 . . . . . . . A 748 LEU HB3 . 34892 1 256 . 1 . 1 23 23 LEU HG H 1 1.866 . . . . . . . A 748 LEU HG . 34892 1 257 . 1 . 1 23 23 LEU HD11 H 1 1.009 . . . . . . . A 748 LEU HD11 . 34892 1 258 . 1 . 1 23 23 LEU HD12 H 1 1.009 . . . . . . . A 748 LEU HD12 . 34892 1 259 . 1 . 1 23 23 LEU HD13 H 1 1.009 . . . . . . . A 748 LEU HD13 . 34892 1 260 . 1 . 1 23 23 LEU HD21 H 1 0.945 . . . . . . . A 748 LEU HD21 . 34892 1 261 . 1 . 1 23 23 LEU HD22 H 1 0.945 . . . . . . . A 748 LEU HD22 . 34892 1 262 . 1 . 1 23 23 LEU HD23 H 1 0.945 . . . . . . . A 748 LEU HD23 . 34892 1 263 . 1 . 1 23 23 LEU CA C 13 57.514 . . . . . . . A 748 LEU CA . 34892 1 264 . 1 . 1 23 23 LEU CB C 13 41.435 . . . . . . . A 748 LEU CB . 34892 1 265 . 1 . 1 23 23 LEU CG C 13 26.326 . . . . . . . A 748 LEU CG . 34892 1 266 . 1 . 1 23 23 LEU CD1 C 13 23.268 . . . . . . . A 748 LEU CD1 . 34892 1 267 . 1 . 1 23 23 LEU CD2 C 13 23.379 . . . . . . . A 748 LEU CD2 . 34892 1 268 . 1 . 1 23 23 LEU N N 15 119.601 . . . . . . . A 748 LEU N . 34892 1 269 . 1 . 1 24 24 LEU H H 1 8.159 . . . . . . . A 749 LEU H . 34892 1 270 . 1 . 1 24 24 LEU HA H 1 4.179 . . . . . . . A 749 LEU HA . 34892 1 271 . 1 . 1 24 24 LEU HB2 H 1 1.780 . . . . . . . A 749 LEU HB2 . 34892 1 272 . 1 . 1 24 24 LEU HB3 H 1 1.955 . . . . . . . A 749 LEU HB3 . 34892 1 273 . 1 . 1 24 24 LEU HG H 1 1.874 . . . . . . . A 749 LEU HG . 34892 1 274 . 1 . 1 24 24 LEU HD11 H 1 0.960 . . . . . . . A 749 LEU HD11 . 34892 1 275 . 1 . 1 24 24 LEU HD12 H 1 0.960 . . . . . . . A 749 LEU HD12 . 34892 1 276 . 1 . 1 24 24 LEU HD13 H 1 0.960 . . . . . . . A 749 LEU HD13 . 34892 1 277 . 1 . 1 24 24 LEU HD21 H 1 0.928 . . . . . . . A 749 LEU HD21 . 34892 1 278 . 1 . 1 24 24 LEU HD22 H 1 0.928 . . . . . . . A 749 LEU HD22 . 34892 1 279 . 1 . 1 24 24 LEU HD23 H 1 0.928 . . . . . . . A 749 LEU HD23 . 34892 1 280 . 1 . 1 24 24 LEU CA C 13 57.688 . . . . . . . A 749 LEU CA . 34892 1 281 . 1 . 1 24 24 LEU CB C 13 40.964 . . . . . . . A 749 LEU CB . 34892 1 282 . 1 . 1 24 24 LEU CG C 13 26.329 . . . . . . . A 749 LEU CG . 34892 1 283 . 1 . 1 24 24 LEU CD1 C 13 23.279 . . . . . . . A 749 LEU CD1 . 34892 1 284 . 1 . 1 24 24 LEU CD2 C 13 22.334 . . . . . . . A 749 LEU CD2 . 34892 1 285 . 1 . 1 24 24 LEU N N 15 119.639 . . . . . . . A 749 LEU N . 34892 1 286 . 1 . 1 25 25 ILE H H 1 8.336 . . . . . . . A 750 ILE H . 34892 1 287 . 1 . 1 25 25 ILE HA H 1 3.814 . . . . . . . A 750 ILE HA . 34892 1 288 . 1 . 1 25 25 ILE HB H 1 2.043 . . . . . . . A 750 ILE HB . 34892 1 289 . 1 . 1 25 25 ILE HG12 H 1 1.206 . . . . . . . A 750 ILE HG12 . 34892 1 290 . 1 . 1 25 25 ILE HG21 H 1 0.975 . . . . . . . A 750 ILE HG21 . 34892 1 291 . 1 . 1 25 25 ILE HG22 H 1 0.975 . . . . . . . A 750 ILE HG22 . 34892 1 292 . 1 . 1 25 25 ILE HG23 H 1 0.975 . . . . . . . A 750 ILE HG23 . 34892 1 293 . 1 . 1 25 25 ILE HD11 H 1 0.934 . . . . . . . A 750 ILE HD11 . 34892 1 294 . 1 . 1 25 25 ILE HD12 H 1 0.934 . . . . . . . A 750 ILE HD12 . 34892 1 295 . 1 . 1 25 25 ILE HD13 H 1 0.934 . . . . . . . A 750 ILE HD13 . 34892 1 296 . 1 . 1 25 25 ILE CA C 13 64.531 . . . . . . . A 750 ILE CA . 34892 1 297 . 1 . 1 25 25 ILE CB C 13 37.321 . . . . . . . A 750 ILE CB . 34892 1 298 . 1 . 1 25 25 ILE CG1 C 13 27.891 . . . . . . . A 750 ILE CG1 . 34892 1 299 . 1 . 1 25 25 ILE CG2 C 13 16.008 . . . . . . . A 750 ILE CG2 . 34892 1 300 . 1 . 1 25 25 ILE CD1 C 13 11.193 . . . . . . . A 750 ILE CD1 . 34892 1 301 . 1 . 1 25 25 ILE N N 15 119.601 . . . . . . . A 750 ILE N . 34892 1 302 . 1 . 1 26 26 TRP H H 1 8.337 . . . . . . . A 751 TRP H . 34892 1 303 . 1 . 1 26 26 TRP HA H 1 4.374 . . . . . . . A 751 TRP HA . 34892 1 304 . 1 . 1 26 26 TRP HB2 H 1 3.470 . . . . . . . A 751 TRP HB2 . 34892 1 305 . 1 . 1 26 26 TRP HB3 H 1 3.561 . . . . . . . A 751 TRP HB3 . 34892 1 306 . 1 . 1 26 26 TRP HD1 H 1 7.139 . . . . . . . A 751 TRP HD1 . 34892 1 307 . 1 . 1 26 26 TRP HE1 H 1 9.187 . . . . . . . A 751 TRP HE1 . 34892 1 308 . 1 . 1 26 26 TRP HE3 H 1 7.640 . . . . . . . A 751 TRP HE3 . 34892 1 309 . 1 . 1 26 26 TRP HZ2 H 1 7.386 . . . . . . . A 751 TRP HZ2 . 34892 1 310 . 1 . 1 26 26 TRP HZ3 H 1 7.038 . . . . . . . A 751 TRP HZ3 . 34892 1 311 . 1 . 1 26 26 TRP HH2 H 1 7.139 . . . . . . . A 751 TRP HH2 . 34892 1 312 . 1 . 1 26 26 TRP CA C 13 60.292 . . . . . . . A 751 TRP CA . 34892 1 313 . 1 . 1 26 26 TRP CB C 13 28.005 . . . . . . . A 751 TRP CB . 34892 1 314 . 1 . 1 26 26 TRP CD1 C 13 124.904 . . . . . . . A 751 TRP CD1 . 34892 1 315 . 1 . 1 26 26 TRP CE3 C 13 120.043 . . . . . . . A 751 TRP CE3 . 34892 1 316 . 1 . 1 26 26 TRP CZ2 C 13 113.424 . . . . . . . A 751 TRP CZ2 . 34892 1 317 . 1 . 1 26 26 TRP CZ3 C 13 120.681 . . . . . . . A 751 TRP CZ3 . 34892 1 318 . 1 . 1 26 26 TRP CH2 C 13 123.394 . . . . . . . A 751 TRP CH2 . 34892 1 319 . 1 . 1 26 26 TRP N N 15 120.256 . . . . . . . A 751 TRP N . 34892 1 320 . 1 . 1 26 26 TRP NE1 N 15 125.002 . . . . . . . A 751 TRP NE1 . 34892 1 321 . 1 . 1 27 27 LYS H H 1 8.270 . . . . . . . A 752 LYS H . 34892 1 322 . 1 . 1 27 27 LYS HA H 1 3.820 . . . . . . . A 752 LYS HA . 34892 1 323 . 1 . 1 27 27 LYS HB2 H 1 2.100 . . . . . . . A 752 LYS HB2 . 34892 1 324 . 1 . 1 27 27 LYS HB3 H 1 2.006 . . . . . . . A 752 LYS HB3 . 34892 1 325 . 1 . 1 27 27 LYS HG2 H 1 1.498 . . . . . . . A 752 LYS HG2 . 34892 1 326 . 1 . 1 27 27 LYS HG3 H 1 1.711 . . . . . . . A 752 LYS HG3 . 34892 1 327 . 1 . 1 27 27 LYS HD2 H 1 1.764 . . . . . . . A 752 LYS HD2 . 34892 1 328 . 1 . 1 27 27 LYS HD3 H 1 1.713 . . . . . . . A 752 LYS HD3 . 34892 1 329 . 1 . 1 27 27 LYS HE2 H 1 2.960 . . . . . . . A 752 LYS HE2 . 34892 1 330 . 1 . 1 27 27 LYS CA C 13 59.246 . . . . . . . A 752 LYS CA . 34892 1 331 . 1 . 1 27 27 LYS CB C 13 31.469 . . . . . . . A 752 LYS CB . 34892 1 332 . 1 . 1 27 27 LYS CG C 13 24.522 . . . . . . . A 752 LYS CG . 34892 1 333 . 1 . 1 27 27 LYS CD C 13 29.113 . . . . . . . A 752 LYS CD . 34892 1 334 . 1 . 1 27 27 LYS CE C 13 41.762 . . . . . . . A 752 LYS CE . 34892 1 335 . 1 . 1 27 27 LYS N N 15 117.389 . . . . . . . A 752 LYS N . 34892 1 336 . 1 . 1 28 28 LEU H H 1 8.152 . . . . . . . A 753 LEU H . 34892 1 337 . 1 . 1 28 28 LEU HA H 1 4.139 . . . . . . . A 753 LEU HA . 34892 1 338 . 1 . 1 28 28 LEU HB2 H 1 1.421 . . . . . . . A 753 LEU HB2 . 34892 1 339 . 1 . 1 28 28 LEU HB3 H 1 1.875 . . . . . . . A 753 LEU HB3 . 34892 1 340 . 1 . 1 28 28 LEU HG H 1 1.809 . . . . . . . A 753 LEU HG . 34892 1 341 . 1 . 1 28 28 LEU CA C 13 57.668 . . . . . . . A 753 LEU CA . 34892 1 342 . 1 . 1 28 28 LEU CB C 13 40.932 . . . . . . . A 753 LEU CB . 34892 1 343 . 1 . 1 28 28 LEU CG C 13 26.165 . . . . . . . A 753 LEU CG . 34892 1 344 . 1 . 1 28 28 LEU N N 15 119.639 . . . . . . . A 753 LEU N . 34892 1 345 . 1 . 1 29 29 LEU H H 1 8.624 . . . . . . . A 754 LEU H . 34892 1 346 . 1 . 1 29 29 LEU HA H 1 4.082 . . . . . . . A 754 LEU HA . 34892 1 347 . 1 . 1 29 29 LEU HB2 H 1 2.032 . . . . . . . A 754 LEU HB2 . 34892 1 348 . 1 . 1 29 29 LEU HB3 H 1 1.368 . . . . . . . A 754 LEU HB3 . 34892 1 349 . 1 . 1 29 29 LEU HD11 H 1 0.883 . . . . . . . A 754 LEU HD11 . 34892 1 350 . 1 . 1 29 29 LEU HD12 H 1 0.883 . . . . . . . A 754 LEU HD12 . 34892 1 351 . 1 . 1 29 29 LEU HD13 H 1 0.883 . . . . . . . A 754 LEU HD13 . 34892 1 352 . 1 . 1 29 29 LEU CA C 13 57.642 . . . . . . . A 754 LEU CA . 34892 1 353 . 1 . 1 29 29 LEU CB C 13 40.869 . . . . . . . A 754 LEU CB . 34892 1 354 . 1 . 1 29 29 LEU CD1 C 13 24.171 . . . . . . . A 754 LEU CD1 . 34892 1 355 . 1 . 1 29 29 LEU N N 15 118.272 . . . . . . . A 754 LEU N . 34892 1 356 . 1 . 1 30 30 MET H H 1 8.173 . . . . . . . A 755 MET H . 34892 1 357 . 1 . 1 30 30 MET HA H 1 4.168 . . . . . . . A 755 MET HA . 34892 1 358 . 1 . 1 30 30 MET HB2 H 1 2.158 . . . . . . . A 755 MET HB2 . 34892 1 359 . 1 . 1 30 30 MET HB3 H 1 1.933 . . . . . . . A 755 MET HB3 . 34892 1 360 . 1 . 1 30 30 MET HG2 H 1 2.151 . . . . . . . A 755 MET HG2 . 34892 1 361 . 1 . 1 30 30 MET HG3 H 1 2.243 . . . . . . . A 755 MET HG3 . 34892 1 362 . 1 . 1 30 30 MET CA C 13 57.708 . . . . . . . A 755 MET CA . 34892 1 363 . 1 . 1 30 30 MET CB C 13 31.573 . . . . . . . A 755 MET CB . 34892 1 364 . 1 . 1 30 30 MET CG C 13 31.404 . . . . . . . A 755 MET CG . 34892 1 365 . 1 . 1 30 30 MET N N 15 118.564 . . . . . . . A 755 MET N . 34892 1 366 . 1 . 1 31 31 ILE H H 1 8.095 . . . . . . . A 756 ILE H . 34892 1 367 . 1 . 1 31 31 ILE HA H 1 3.816 . . . . . . . A 756 ILE HA . 34892 1 368 . 1 . 1 31 31 ILE HB H 1 2.146 . . . . . . . A 756 ILE HB . 34892 1 369 . 1 . 1 31 31 ILE HG12 H 1 1.146 . . . . . . . A 756 ILE HG12 . 34892 1 370 . 1 . 1 31 31 ILE HG13 H 1 1.864 . . . . . . . A 756 ILE HG13 . 34892 1 371 . 1 . 1 31 31 ILE HG21 H 1 0.930 . . . . . . . A 756 ILE HG21 . 34892 1 372 . 1 . 1 31 31 ILE HG22 H 1 0.930 . . . . . . . A 756 ILE HG22 . 34892 1 373 . 1 . 1 31 31 ILE HG23 H 1 0.930 . . . . . . . A 756 ILE HG23 . 34892 1 374 . 1 . 1 31 31 ILE HD11 H 1 0.887 . . . . . . . A 756 ILE HD11 . 34892 1 375 . 1 . 1 31 31 ILE HD12 H 1 0.887 . . . . . . . A 756 ILE HD12 . 34892 1 376 . 1 . 1 31 31 ILE HD13 H 1 0.887 . . . . . . . A 756 ILE HD13 . 34892 1 377 . 1 . 1 31 31 ILE CA C 13 64.531 . . . . . . . A 756 ILE CA . 34892 1 378 . 1 . 1 31 31 ILE CB C 13 37.597 . . . . . . . A 756 ILE CB . 34892 1 379 . 1 . 1 31 31 ILE CG1 C 13 28.211 . . . . . . . A 756 ILE CG1 . 34892 1 380 . 1 . 1 31 31 ILE CG2 C 13 15.800 . . . . . . . A 756 ILE CG2 . 34892 1 381 . 1 . 1 31 31 ILE CD1 C 13 11.413 . . . . . . . A 756 ILE CD1 . 34892 1 382 . 1 . 1 31 31 ILE N N 15 121.942 . . . . . . . A 756 ILE N . 34892 1 383 . 1 . 1 32 32 ILE H H 1 8.387 . . . . . . . A 757 ILE H . 34892 1 384 . 1 . 1 32 32 ILE HA H 1 3.766 . . . . . . . A 757 ILE HA . 34892 1 385 . 1 . 1 32 32 ILE HB H 1 1.872 . . . . . . . A 757 ILE HB . 34892 1 386 . 1 . 1 32 32 ILE HG12 H 1 1.210 . . . . . . . A 757 ILE HG12 . 34892 1 387 . 1 . 1 32 32 ILE HG13 H 1 1.874 . . . . . . . A 757 ILE HG13 . 34892 1 388 . 1 . 1 32 32 ILE HG21 H 1 0.693 . . . . . . . A 757 ILE HG21 . 34892 1 389 . 1 . 1 32 32 ILE HG22 H 1 0.693 . . . . . . . A 757 ILE HG22 . 34892 1 390 . 1 . 1 32 32 ILE HG23 H 1 0.693 . . . . . . . A 757 ILE HG23 . 34892 1 391 . 1 . 1 32 32 ILE HD11 H 1 0.820 . . . . . . . A 757 ILE HD11 . 34892 1 392 . 1 . 1 32 32 ILE HD12 H 1 0.820 . . . . . . . A 757 ILE HD12 . 34892 1 393 . 1 . 1 32 32 ILE HD13 H 1 0.820 . . . . . . . A 757 ILE HD13 . 34892 1 394 . 1 . 1 32 32 ILE CA C 13 63.999 . . . . . . . A 757 ILE CA . 34892 1 395 . 1 . 1 32 32 ILE CB C 13 37.731 . . . . . . . A 757 ILE CB . 34892 1 396 . 1 . 1 32 32 ILE CG1 C 13 28.397 . . . . . . . A 757 ILE CG1 . 34892 1 397 . 1 . 1 32 32 ILE CG2 C 13 15.586 . . . . . . . A 757 ILE CG2 . 34892 1 398 . 1 . 1 32 32 ILE CD1 C 13 11.890 . . . . . . . A 757 ILE CD1 . 34892 1 399 . 1 . 1 32 32 ILE N N 15 118.566 . . . . . . . A 757 ILE N . 34892 1 400 . 1 . 1 33 33 HIS H H 1 7.943 . . . . . . . A 758 HIS H . 34892 1 401 . 1 . 1 33 33 HIS HA H 1 4.418 . . . . . . . A 758 HIS HA . 34892 1 402 . 1 . 1 33 33 HIS HB2 H 1 3.366 . . . . . . . A 758 HIS HB2 . 34892 1 403 . 1 . 1 33 33 HIS HB3 H 1 3.089 . . . . . . . A 758 HIS HB3 . 34892 1 404 . 1 . 1 33 33 HIS HD2 H 1 7.000 . . . . . . . A 758 HIS HD2 . 34892 1 405 . 1 . 1 33 33 HIS HE1 H 1 7.626 . . . . . . . A 758 HIS HE1 . 34892 1 406 . 1 . 1 33 33 HIS CA C 13 58.089 . . . . . . . A 758 HIS CA . 34892 1 407 . 1 . 1 33 33 HIS CB C 13 28.569 . . . . . . . A 758 HIS CB . 34892 1 408 . 1 . 1 33 33 HIS CD2 C 13 122.838 . . . . . . . A 758 HIS CD2 . 34892 1 409 . 1 . 1 33 33 HIS CE1 C 13 136.145 . . . . . . . A 758 HIS CE1 . 34892 1 410 . 1 . 1 33 33 HIS N N 15 116.287 . . . . . . . A 758 HIS N . 34892 1 411 . 1 . 1 34 34 ASP H H 1 7.946 . . . . . . . A 759 ASP H . 34892 1 412 . 1 . 1 34 34 ASP HA H 1 4.674 . . . . . . . A 759 ASP HA . 34892 1 413 . 1 . 1 34 34 ASP HB2 H 1 2.880 . . . . . . . A 759 ASP HB2 . 34892 1 414 . 1 . 1 34 34 ASP HB3 H 1 2.805 . . . . . . . A 759 ASP HB3 . 34892 1 415 . 1 . 1 34 34 ASP CA C 13 54.287 . . . . . . . A 759 ASP CA . 34892 1 416 . 1 . 1 34 34 ASP CB C 13 40.341 . . . . . . . A 759 ASP CB . 34892 1 417 . 1 . 1 34 34 ASP N N 15 120.056 . . . . . . . A 759 ASP N . 34892 1 418 . 1 . 1 35 35 ARG H H 1 7.870 . . . . . . . A 760 ARG H . 34892 1 419 . 1 . 1 35 35 ARG HA H 1 4.386 . . . . . . . A 760 ARG HA . 34892 1 420 . 1 . 1 35 35 ARG HB2 H 1 1.842 . . . . . . . A 760 ARG HB2 . 34892 1 421 . 1 . 1 35 35 ARG HB3 H 1 1.964 . . . . . . . A 760 ARG HB3 . 34892 1 422 . 1 . 1 35 35 ARG HG2 H 1 1.705 . . . . . . . A 760 ARG HG2 . 34892 1 423 . 1 . 1 35 35 ARG HD2 H 1 3.206 . . 2 . . . . A 760 ARG HD2 . 34892 1 424 . 1 . 1 35 35 ARG HD3 H 1 3.206 . . 2 . . . . A 760 ARG HD3 . 34892 1 425 . 1 . 1 35 35 ARG CA C 13 55.215 . . . . . . . A 760 ARG CA . 34892 1 426 . 1 . 1 35 35 ARG CB C 13 29.632 . . . . . . . A 760 ARG CB . 34892 1 427 . 1 . 1 35 35 ARG CG C 13 26.017 . . . . . . . A 760 ARG CG . 34892 1 428 . 1 . 1 35 35 ARG CD C 13 42.584 . . . . . . . A 760 ARG CD . 34892 1 429 . 1 . 1 35 35 ARG N N 15 120.729 . . . . . . . A 760 ARG N . 34892 1 430 . 1 . 1 36 36 ARG H H 1 7.586 . . . . . . . A 761 ARG H . 34892 1 431 . 1 . 1 36 36 ARG HA H 1 4.220 . . . . . . . A 761 ARG HA . 34892 1 432 . 1 . 1 36 36 ARG HB2 H 1 1.758 . . . . . . . A 761 ARG HB2 . 34892 1 433 . 1 . 1 36 36 ARG HB3 H 1 1.913 . . . . . . . A 761 ARG HB3 . 34892 1 434 . 1 . 1 36 36 ARG HG2 H 1 1.637 . . 2 . . . . A 761 ARG HG2 . 34892 1 435 . 1 . 1 36 36 ARG HG3 H 1 1.637 . . 2 . . . . A 761 ARG HG3 . 34892 1 436 . 1 . 1 36 36 ARG HD2 H 1 3.149 . . . . . . . A 761 ARG HD2 . 34892 1 437 . 1 . 1 36 36 ARG HD3 H 1 3.227 . . . . . . . A 761 ARG HD3 . 34892 1 438 . 1 . 1 36 36 ARG CA C 13 56.559 . . . . . . . A 761 ARG CA . 34892 1 439 . 1 . 1 36 36 ARG CB C 13 30.952 . . . . . . . A 761 ARG CB . 34892 1 440 . 1 . 1 36 36 ARG CG C 13 26.252 . . . . . . . A 761 ARG CG . 34892 1 441 . 1 . 1 36 36 ARG CD C 13 42.609 . . . . . . . A 761 ARG CD . 34892 1 442 . 1 . 1 36 36 ARG N N 15 125.746 . . . . . . . A 761 ARG N . 34892 1 stop_ save_