data_60 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 60 _Entry.Title ; Complete Sequence-specific 1H Nuclear Magnetic Resonance Assignments for the alpha-Amylase Polypeptide Inhibitor Tendamistat from Streptomyces tendae ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-03-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Allen Kline . D. . 60 2 Kurt Wuthrich . . . 60 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 60 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 477 60 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 4 . . 2010-06-10 . revision BMRB 'Complete natural source information' 60 3 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 60 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 60 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 60 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 60 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Kline, Allen D., Wuthrich, Kurt, "Complete Sequence-specific 1H Nuclear Magnetic Resonance Assignments for the alpha-Amylase Polypeptide Inhibitor Tendamistat from Streptomyces tendae," J. Mol. Biol. 192, 869-890 (1986). ; _Citation.Title ; Complete Sequence-specific 1H Nuclear Magnetic Resonance Assignments for the alpha-Amylase Polypeptide Inhibitor Tendamistat from Streptomyces tendae ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 192 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 869 _Citation.Page_last 890 _Citation.Year 1986 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Allen Kline . D. . 60 1 2 Kurt Wuthrich . . . 60 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_tendamistat _Assembly.Sf_category assembly _Assembly.Sf_framecode system_tendamistat _Assembly.Entry_ID 60 _Assembly.ID 1 _Assembly.Name tendamistat _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 . _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 tendamistat 1 $tendamistat . . . . . . . . . 60 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID tendamistat system 60 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_tendamistat _Entity.Sf_category entity _Entity.Sf_framecode tendamistat _Entity.Entry_ID 60 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name tendamistat _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 ; DTTVSEPAPSCVTLYQSWRY SQADNGCAETVTVKVVYEDD TEGLCYAVAPGQITTVGDGY IGSHGHARYLARCL ; _Entity.Polymer_seq_one_letter_code ; DTTVSEPAPSCVTLYQSWRY SQADNGCAETVTVKVVYEDD TEGLCYAVAPGQITTVGDGY IGSHGHARYLARCL ; _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 . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 74 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 1642 . tendamistat . . . . . 100.00 74 100.00 100.00 7.55e-46 . . . . 60 1 2 no PDB 1BVN . "Pig Pancreatic Alpha-Amylase In Complex With The Proteinaceous Inhibitor Tendamistat" . . . . . 100.00 74 100.00 100.00 7.55e-46 . . . . 60 1 3 no PDB 1HOE . "Crystal Structure Determination, Refinement And The Molecular Model Of The Alpha-Amylase Inhibitor Hoe-467a" . . . . . 100.00 74 100.00 100.00 7.55e-46 . . . . 60 1 4 no PDB 1OK0 . "Crystal Structure Of Tendamistat" . . . . . 100.00 74 100.00 100.00 7.55e-46 . . . . 60 1 5 no PDB 2AIT . "Determination Of The Complete Three-Dimensional Structure Of The Alpha-Amylase Inhibitor Tendamistat In Aqueous Solution By Nuc" . . . . . 100.00 74 100.00 100.00 7.55e-46 . . . . 60 1 6 no PDB 3AIT . "Restrained Energy Refinement With Two Different Algorithms And Force Fields Of The Structure Of The Alpha-Amylase Inhibitor Ten" . . . . . 100.00 74 100.00 100.00 7.55e-46 . . . . 60 1 7 no PDB 4AIT . "Restrained Energy Refinement With Two Different Algorithms And Force Fields Of The Structure Of The Alpha-Amylase Inhibitor Ten" . . . . . 100.00 74 100.00 100.00 7.55e-46 . . . . 60 1 8 no GB AAA26686 . "alpha-amylase inhibitor (tendamistat) [Streptomyces tendae]" . . . . . 100.00 104 98.65 100.00 3.39e-46 . . . . 60 1 9 no PRF 0706243A . "inhibitor Hoe476A,alpha amylase" . . . . . 100.00 74 100.00 100.00 7.55e-46 . . . . 60 1 10 no PRF 0706243A:PDB=1HOE,2AIT,3AIT,4AIT . "inhibitor Hoe476A,alpha amylase" . . . . . 100.00 74 100.00 100.00 7.55e-46 . . . . 60 1 11 no SP P01092 . "RecName: Full=Alpha-amylase inhibitor HOE-467A; AltName: Full=Tendamistat; Flags: Precursor [Streptomyces tendae]" . . . . . 100.00 104 98.65 100.00 3.39e-46 . . . . 60 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID tendamistat common 60 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 . ASP . 60 1 2 . THR . 60 1 3 . THR . 60 1 4 . VAL . 60 1 5 . SER . 60 1 6 . GLU . 60 1 7 . PRO . 60 1 8 . ALA . 60 1 9 . PRO . 60 1 10 . SER . 60 1 11 . CYS . 60 1 12 . VAL . 60 1 13 . THR . 60 1 14 . LEU . 60 1 15 . TYR . 60 1 16 . GLN . 60 1 17 . SER . 60 1 18 . TRP . 60 1 19 . ARG . 60 1 20 . TYR . 60 1 21 . SER . 60 1 22 . GLN . 60 1 23 . ALA . 60 1 24 . ASP . 60 1 25 . ASN . 60 1 26 . GLY . 60 1 27 . CYS . 60 1 28 . ALA . 60 1 29 . GLU . 60 1 30 . THR . 60 1 31 . VAL . 60 1 32 . THR . 60 1 33 . VAL . 60 1 34 . LYS . 60 1 35 . VAL . 60 1 36 . VAL . 60 1 37 . TYR . 60 1 38 . GLU . 60 1 39 . ASP . 60 1 40 . ASP . 60 1 41 . THR . 60 1 42 . GLU . 60 1 43 . GLY . 60 1 44 . LEU . 60 1 45 . CYS . 60 1 46 . TYR . 60 1 47 . ALA . 60 1 48 . VAL . 60 1 49 . ALA . 60 1 50 . PRO . 60 1 51 . GLY . 60 1 52 . GLN . 60 1 53 . ILE . 60 1 54 . THR . 60 1 55 . THR . 60 1 56 . VAL . 60 1 57 . GLY . 60 1 58 . ASP . 60 1 59 . GLY . 60 1 60 . TYR . 60 1 61 . ILE . 60 1 62 . GLY . 60 1 63 . SER . 60 1 64 . HIS . 60 1 65 . GLY . 60 1 66 . HIS . 60 1 67 . ALA . 60 1 68 . ARG . 60 1 69 . TYR . 60 1 70 . LEU . 60 1 71 . ALA . 60 1 72 . ARG . 60 1 73 . CYS . 60 1 74 . LEU . 60 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 . ASP 1 1 60 1 . THR 2 2 60 1 . THR 3 3 60 1 . VAL 4 4 60 1 . SER 5 5 60 1 . GLU 6 6 60 1 . PRO 7 7 60 1 . ALA 8 8 60 1 . PRO 9 9 60 1 . SER 10 10 60 1 . CYS 11 11 60 1 . VAL 12 12 60 1 . THR 13 13 60 1 . LEU 14 14 60 1 . TYR 15 15 60 1 . GLN 16 16 60 1 . SER 17 17 60 1 . TRP 18 18 60 1 . ARG 19 19 60 1 . TYR 20 20 60 1 . SER 21 21 60 1 . GLN 22 22 60 1 . ALA 23 23 60 1 . ASP 24 24 60 1 . ASN 25 25 60 1 . GLY 26 26 60 1 . CYS 27 27 60 1 . ALA 28 28 60 1 . GLU 29 29 60 1 . THR 30 30 60 1 . VAL 31 31 60 1 . THR 32 32 60 1 . VAL 33 33 60 1 . LYS 34 34 60 1 . VAL 35 35 60 1 . VAL 36 36 60 1 . TYR 37 37 60 1 . GLU 38 38 60 1 . ASP 39 39 60 1 . ASP 40 40 60 1 . THR 41 41 60 1 . GLU 42 42 60 1 . GLY 43 43 60 1 . LEU 44 44 60 1 . CYS 45 45 60 1 . TYR 46 46 60 1 . ALA 47 47 60 1 . VAL 48 48 60 1 . ALA 49 49 60 1 . PRO 50 50 60 1 . GLY 51 51 60 1 . GLN 52 52 60 1 . ILE 53 53 60 1 . THR 54 54 60 1 . THR 55 55 60 1 . VAL 56 56 60 1 . GLY 57 57 60 1 . ASP 58 58 60 1 . GLY 59 59 60 1 . TYR 60 60 60 1 . ILE 61 61 60 1 . GLY 62 62 60 1 . SER 63 63 60 1 . HIS 64 64 60 1 . GLY 65 65 60 1 . HIS 66 66 60 1 . ALA 67 67 60 1 . ARG 68 68 60 1 . TYR 69 69 60 1 . LEU 70 70 60 1 . ALA 71 71 60 1 . ARG 72 72 60 1 . CYS 73 73 60 1 . LEU 74 74 60 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 60 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $tendamistat . 1932 organism . 'Streptomyces tendae' . . . Bacteria . Streptomyces tendae generic . . . . . . . . . . . . . . . . . . . . 60 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 60 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $tendamistat . 'not available' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 60 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 60 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 3.2 . pH 60 1 temperature 323 . K 60 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 60 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 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 60 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 60 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 60 _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 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_condition_set_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 60 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 60 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H . TSP . . . . . ppm 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 60 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_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 60 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 60 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ASP HA H 1 4.42 0.01 . 1 . . . . . . . . 60 1 2 . 1 1 1 1 ASP HB2 H 1 2.98 0.01 . 2 . . . . . . . . 60 1 3 . 1 1 1 1 ASP HB3 H 1 2.9 0.01 . 2 . . . . . . . . 60 1 4 . 1 1 2 2 THR H H 1 8.58 0.01 . 1 . . . . . . . . 60 1 5 . 1 1 2 2 THR HA H 1 4.48 0.01 . 1 . . . . . . . . 60 1 6 . 1 1 2 2 THR HB H 1 4.26 0.01 . 1 . . . . . . . . 60 1 7 . 1 1 2 2 THR HG21 H 1 1.23 0.01 . 1 . . . . . . . . 60 1 8 . 1 1 2 2 THR HG22 H 1 1.23 0.01 . 1 . . . . . . . . 60 1 9 . 1 1 2 2 THR HG23 H 1 1.23 0.01 . 1 . . . . . . . . 60 1 10 . 1 1 3 3 THR H H 1 8.17 0.01 . 1 . . . . . . . . 60 1 11 . 1 1 3 3 THR HA H 1 4.38 0.01 . 1 . . . . . . . . 60 1 12 . 1 1 3 3 THR HB H 1 4.2 0.01 . 1 . . . . . . . . 60 1 13 . 1 1 3 3 THR HG21 H 1 1.19 0.01 . 1 . . . . . . . . 60 1 14 . 1 1 3 3 THR HG22 H 1 1.19 0.01 . 1 . . . . . . . . 60 1 15 . 1 1 3 3 THR HG23 H 1 1.19 0.01 . 1 . . . . . . . . 60 1 16 . 1 1 4 4 VAL H H 1 8.03 0.01 . 1 . . . . . . . . 60 1 17 . 1 1 4 4 VAL HA H 1 4.17 0.01 . 1 . . . . . . . . 60 1 18 . 1 1 4 4 VAL HB H 1 2.06 0.01 . 1 . . . . . . . . 60 1 19 . 1 1 4 4 VAL HG11 H 1 .89 0.01 . 2 . . . . . . . . 60 1 20 . 1 1 4 4 VAL HG12 H 1 .89 0.01 . 2 . . . . . . . . 60 1 21 . 1 1 4 4 VAL HG13 H 1 .89 0.01 . 2 . . . . . . . . 60 1 22 . 1 1 4 4 VAL HG21 H 1 .91 0.01 . 2 . . . . . . . . 60 1 23 . 1 1 4 4 VAL HG22 H 1 .91 0.01 . 2 . . . . . . . . 60 1 24 . 1 1 4 4 VAL HG23 H 1 .91 0.01 . 2 . . . . . . . . 60 1 25 . 1 1 5 5 SER H H 1 8.21 0.01 . 1 . . . . . . . . 60 1 26 . 1 1 5 5 SER HA H 1 4.59 0.01 . 1 . . . . . . . . 60 1 27 . 1 1 5 5 SER HB2 H 1 3.77 0.01 . 2 . . . . . . . . 60 1 28 . 1 1 5 5 SER HB3 H 1 3.84 0.01 . 2 . . . . . . . . 60 1 29 . 1 1 6 6 GLU H H 1 8.63 0.01 . 1 . . . . . . . . 60 1 30 . 1 1 6 6 GLU HA H 1 4.71 0.01 . 1 . . . . . . . . 60 1 31 . 1 1 6 6 GLU HB2 H 1 1.98 0.01 . 2 . . . . . . . . 60 1 32 . 1 1 6 6 GLU HB3 H 1 2.11 0.01 . 2 . . . . . . . . 60 1 33 . 1 1 6 6 GLU HG2 H 1 2.52 0.01 . 1 . . . . . . . . 60 1 34 . 1 1 6 6 GLU HG3 H 1 2.52 0.01 . 1 . . . . . . . . 60 1 35 . 1 1 7 7 PRO HA H 1 4.72 0.01 . 1 . . . . . . . . 60 1 36 . 1 1 7 7 PRO HB2 H 1 1.99 0.01 . 2 . . . . . . . . 60 1 37 . 1 1 7 7 PRO HB3 H 1 2.24 0.01 . 2 . . . . . . . . 60 1 38 . 1 1 7 7 PRO HG2 H 1 1.97 0.01 . 2 . . . . . . . . 60 1 39 . 1 1 7 7 PRO HG3 H 1 1.7 0.01 . 2 . . . . . . . . 60 1 40 . 1 1 7 7 PRO HD2 H 1 3.65 0.01 . 2 . . . . . . . . 60 1 41 . 1 1 7 7 PRO HD3 H 1 3.76 0.01 . 2 . . . . . . . . 60 1 42 . 1 1 8 8 ALA H H 1 8.74 0.01 . 1 . . . . . . . . 60 1 43 . 1 1 8 8 ALA HA H 1 4.26 0.01 . 1 . . . . . . . . 60 1 44 . 1 1 8 8 ALA HB1 H 1 1.18 0.01 . 1 . . . . . . . . 60 1 45 . 1 1 8 8 ALA HB2 H 1 1.18 0.01 . 1 . . . . . . . . 60 1 46 . 1 1 8 8 ALA HB3 H 1 1.18 0.01 . 1 . . . . . . . . 60 1 47 . 1 1 9 9 PRO HA H 1 4.59 0.01 . 1 . . . . . . . . 60 1 48 . 1 1 9 9 PRO HB2 H 1 2.25 0.01 . 2 . . . . . . . . 60 1 49 . 1 1 9 9 PRO HB3 H 1 2.57 0.01 . 2 . . . . . . . . 60 1 50 . 1 1 9 9 PRO HG2 H 1 2.14 0.01 . 1 . . . . . . . . 60 1 51 . 1 1 9 9 PRO HG3 H 1 2.14 0.01 . 1 . . . . . . . . 60 1 52 . 1 1 9 9 PRO HD2 H 1 3.41 0.01 . 2 . . . . . . . . 60 1 53 . 1 1 9 9 PRO HD3 H 1 3.68 0.01 . 2 . . . . . . . . 60 1 54 . 1 1 10 10 SER H H 1 8.68 0.01 . 1 . . . . . . . . 60 1 55 . 1 1 10 10 SER HA H 1 4.26 0.01 . 1 . . . . . . . . 60 1 56 . 1 1 10 10 SER HB2 H 1 3.99 0.01 . 2 . . . . . . . . 60 1 57 . 1 1 10 10 SER HB3 H 1 4.03 0.01 . 2 . . . . . . . . 60 1 58 . 1 1 11 11 CYS H H 1 7.45 0.01 . 1 . . . . . . . . 60 1 59 . 1 1 11 11 CYS HA H 1 4.58 0.01 . 1 . . . . . . . . 60 1 60 . 1 1 11 11 CYS HB2 H 1 3.09 0.01 . 2 . . . . . . . . 60 1 61 . 1 1 11 11 CYS HB3 H 1 3.25 0.01 . 2 . . . . . . . . 60 1 62 . 1 1 12 12 VAL H H 1 8.14 0.01 . 1 . . . . . . . . 60 1 63 . 1 1 12 12 VAL HA H 1 5.15 0.01 . 1 . . . . . . . . 60 1 64 . 1 1 12 12 VAL HB H 1 2.18 0.01 . 1 . . . . . . . . 60 1 65 . 1 1 12 12 VAL HG11 H 1 .87 0.01 . 2 . . . . . . . . 60 1 66 . 1 1 12 12 VAL HG12 H 1 .87 0.01 . 2 . . . . . . . . 60 1 67 . 1 1 12 12 VAL HG13 H 1 .87 0.01 . 2 . . . . . . . . 60 1 68 . 1 1 12 12 VAL HG21 H 1 .88 0.01 . 2 . . . . . . . . 60 1 69 . 1 1 12 12 VAL HG22 H 1 .88 0.01 . 2 . . . . . . . . 60 1 70 . 1 1 12 12 VAL HG23 H 1 .88 0.01 . 2 . . . . . . . . 60 1 71 . 1 1 13 13 THR H H 1 8.57 0.01 . 1 . . . . . . . . 60 1 72 . 1 1 13 13 THR HA H 1 4.55 0.01 . 1 . . . . . . . . 60 1 73 . 1 1 13 13 THR HB H 1 4.05 0.01 . 1 . . . . . . . . 60 1 74 . 1 1 13 13 THR HG21 H 1 1.1 0.01 . 1 . . . . . . . . 60 1 75 . 1 1 13 13 THR HG22 H 1 1.1 0.01 . 1 . . . . . . . . 60 1 76 . 1 1 13 13 THR HG23 H 1 1.1 0.01 . 1 . . . . . . . . 60 1 77 . 1 1 14 14 LEU H H 1 8.35 0.01 . 1 . . . . . . . . 60 1 78 . 1 1 14 14 LEU HA H 1 4.96 0.01 . 1 . . . . . . . . 60 1 79 . 1 1 14 14 LEU HB2 H 1 1.23 0.01 . 2 . . . . . . . . 60 1 80 . 1 1 14 14 LEU HB3 H 1 1.82 0.01 . 2 . . . . . . . . 60 1 81 . 1 1 14 14 LEU HG H 1 1.32 0.01 . 1 . . . . . . . . 60 1 82 . 1 1 14 14 LEU HD11 H 1 .61 0.01 . 2 . . . . . . . . 60 1 83 . 1 1 14 14 LEU HD12 H 1 .61 0.01 . 2 . . . . . . . . 60 1 84 . 1 1 14 14 LEU HD13 H 1 .61 0.01 . 2 . . . . . . . . 60 1 85 . 1 1 14 14 LEU HD21 H 1 .65 0.01 . 2 . . . . . . . . 60 1 86 . 1 1 14 14 LEU HD22 H 1 .65 0.01 . 2 . . . . . . . . 60 1 87 . 1 1 14 14 LEU HD23 H 1 .65 0.01 . 2 . . . . . . . . 60 1 88 . 1 1 15 15 TYR H H 1 8.92 0.01 . 1 . . . . . . . . 60 1 89 . 1 1 15 15 TYR HA H 1 4.91 0.01 . 1 . . . . . . . . 60 1 90 . 1 1 15 15 TYR HB2 H 1 2.91 0.01 . 1 . . . . . . . . 60 1 91 . 1 1 15 15 TYR HB3 H 1 2.91 0.01 . 1 . . . . . . . . 60 1 92 . 1 1 15 15 TYR HD1 H 1 7.08 0.01 . 1 . . . . . . . . 60 1 93 . 1 1 15 15 TYR HD2 H 1 7.08 0.01 . 1 . . . . . . . . 60 1 94 . 1 1 15 15 TYR HE1 H 1 6.82 0.01 . 1 . . . . . . . . 60 1 95 . 1 1 15 15 TYR HE2 H 1 6.82 0.01 . 1 . . . . . . . . 60 1 96 . 1 1 16 16 GLN H H 1 8.77 0.01 . 1 . . . . . . . . 60 1 97 . 1 1 16 16 GLN HA H 1 5.24 0.01 . 1 . . . . . . . . 60 1 98 . 1 1 16 16 GLN HB2 H 1 1.61 0.01 . 2 . . . . . . . . 60 1 99 . 1 1 16 16 GLN HB3 H 1 2.35 0.01 . 2 . . . . . . . . 60 1 100 . 1 1 16 16 GLN HG2 H 1 2.63 0.01 . 2 . . . . . . . . 60 1 101 . 1 1 16 16 GLN HG3 H 1 2.76 0.01 . 2 . . . . . . . . 60 1 102 . 1 1 16 16 GLN HE21 H 1 6.66 0.01 . 2 . . . . . . . . 60 1 103 . 1 1 16 16 GLN HE22 H 1 7.83 0.01 . 2 . . . . . . . . 60 1 104 . 1 1 17 17 SER H H 1 8.7 0.01 . 1 . . . . . . . . 60 1 105 . 1 1 17 17 SER HA H 1 4.93 0.01 . 1 . . . . . . . . 60 1 106 . 1 1 17 17 SER HB2 H 1 3.86 0.01 . 2 . . . . . . . . 60 1 107 . 1 1 17 17 SER HB3 H 1 4.27 0.01 . 2 . . . . . . . . 60 1 108 . 1 1 18 18 TRP H H 1 8.27 0.01 . 1 . . . . . . . . 60 1 109 . 1 1 18 18 TRP HA H 1 2.87 0.01 . 1 . . . . . . . . 60 1 110 . 1 1 18 18 TRP HB2 H 1 2.93 0.01 . 2 . . . . . . . . 60 1 111 . 1 1 18 18 TRP HB3 H 1 3.16 0.01 . 2 . . . . . . . . 60 1 112 . 1 1 18 18 TRP HD1 H 1 7.42 0.01 . 1 . . . . . . . . 60 1 113 . 1 1 18 18 TRP HE1 H 1 10.18 0.01 . 1 . . . . . . . . 60 1 114 . 1 1 18 18 TRP HE3 H 1 7.31 0.01 . 1 . . . . . . . . 60 1 115 . 1 1 18 18 TRP HZ2 H 1 7.46 0.01 . 1 . . . . . . . . 60 1 116 . 1 1 18 18 TRP HZ3 H 1 7.07 0.01 . 1 . . . . . . . . 60 1 117 . 1 1 18 18 TRP HH2 H 1 7.19 0.01 . 1 . . . . . . . . 60 1 118 . 1 1 19 19 ARG H H 1 6.73 0.01 . 1 . . . . . . . . 60 1 119 . 1 1 19 19 ARG HA H 1 3.74 0.01 . 1 . . . . . . . . 60 1 120 . 1 1 19 19 ARG HB2 H 1 .17 0.01 . 2 . . . . . . . . 60 1 121 . 1 1 19 19 ARG HB3 H 1 .41 0.01 . 2 . . . . . . . . 60 1 122 . 1 1 19 19 ARG HG2 H 1 .37 0.01 . 1 . . . . . . . . 60 1 123 . 1 1 19 19 ARG HG3 H 1 .37 0.01 . 1 . . . . . . . . 60 1 124 . 1 1 19 19 ARG HD2 H 1 2.54 0.01 . 1 . . . . . . . . 60 1 125 . 1 1 19 19 ARG HD3 H 1 2.54 0.01 . 1 . . . . . . . . 60 1 126 . 1 1 19 19 ARG HE H 1 6.78 0.01 . 1 . . . . . . . . 60 1 127 . 1 1 20 20 TYR H H 1 6.96 0.01 . 1 . . . . . . . . 60 1 128 . 1 1 20 20 TYR HA H 1 5.06 0.01 . 1 . . . . . . . . 60 1 129 . 1 1 20 20 TYR HB2 H 1 2.7 0.01 . 2 . . . . . . . . 60 1 130 . 1 1 20 20 TYR HB3 H 1 3.22 0.01 . 2 . . . . . . . . 60 1 131 . 1 1 20 20 TYR HD1 H 1 6.9 0.01 . 1 . . . . . . . . 60 1 132 . 1 1 20 20 TYR HD2 H 1 6.9 0.01 . 1 . . . . . . . . 60 1 133 . 1 1 20 20 TYR HE1 H 1 6.67 0.01 . 1 . . . . . . . . 60 1 134 . 1 1 20 20 TYR HE2 H 1 6.67 0.01 . 1 . . . . . . . . 60 1 135 . 1 1 21 21 SER H H 1 7.55 0.01 . 1 . . . . . . . . 60 1 136 . 1 1 21 21 SER HA H 1 5.21 0.01 . 1 . . . . . . . . 60 1 137 . 1 1 21 21 SER HB2 H 1 3.24 0.01 . 2 . . . . . . . . 60 1 138 . 1 1 21 21 SER HB3 H 1 3.34 0.01 . 2 . . . . . . . . 60 1 139 . 1 1 22 22 GLN H H 1 9.59 0.01 . 1 . . . . . . . . 60 1 140 . 1 1 22 22 GLN HA H 1 5.16 0.01 . 1 . . . . . . . . 60 1 141 . 1 1 22 22 GLN HB2 H 1 1.71 0.01 . 2 . . . . . . . . 60 1 142 . 1 1 22 22 GLN HB3 H 1 1.97 0.01 . 2 . . . . . . . . 60 1 143 . 1 1 22 22 GLN HE21 H 1 6.44 0.01 . 2 . . . . . . . . 60 1 144 . 1 1 22 22 GLN HE22 H 1 6.91 0.01 . 2 . . . . . . . . 60 1 145 . 1 1 23 23 ALA H H 1 8.72 0.01 . 1 . . . . . . . . 60 1 146 . 1 1 23 23 ALA HA H 1 5.33 0.01 . 1 . . . . . . . . 60 1 147 . 1 1 23 23 ALA HB1 H 1 1.05 0.01 . 1 . . . . . . . . 60 1 148 . 1 1 23 23 ALA HB2 H 1 1.05 0.01 . 1 . . . . . . . . 60 1 149 . 1 1 23 23 ALA HB3 H 1 1.05 0.01 . 1 . . . . . . . . 60 1 150 . 1 1 24 24 ASP H H 1 8.75 0.01 . 1 . . . . . . . . 60 1 151 . 1 1 24 24 ASP HA H 1 5.29 0.01 . 1 . . . . . . . . 60 1 152 . 1 1 24 24 ASP HB2 H 1 2.49 0.01 . 2 . . . . . . . . 60 1 153 . 1 1 24 24 ASP HB3 H 1 3.21 0.01 . 2 . . . . . . . . 60 1 154 . 1 1 25 25 ASN H H 1 8.55 0.01 . 1 . . . . . . . . 60 1 155 . 1 1 25 25 ASN HA H 1 4.83 0.01 . 1 . . . . . . . . 60 1 156 . 1 1 25 25 ASN HB2 H 1 2.15 0.01 . 2 . . . . . . . . 60 1 157 . 1 1 25 25 ASN HB3 H 1 3.65 0.01 . 2 . . . . . . . . 60 1 158 . 1 1 25 25 ASN HD21 H 1 6.94 0.01 . 2 . . . . . . . . 60 1 159 . 1 1 25 25 ASN HD22 H 1 7.25 0.01 . 2 . . . . . . . . 60 1 160 . 1 1 26 26 GLY H H 1 8.6 0.01 . 1 . . . . . . . . 60 1 161 . 1 1 26 26 GLY HA2 H 1 3.71 0.01 . 2 . . . . . . . . 60 1 162 . 1 1 26 26 GLY HA3 H 1 4.63 0.01 . 2 . . . . . . . . 60 1 163 . 1 1 27 27 CYS H H 1 8.81 0.01 . 1 . . . . . . . . 60 1 164 . 1 1 27 27 CYS HA H 1 4.75 0.01 . 1 . . . . . . . . 60 1 165 . 1 1 27 27 CYS HB2 H 1 3.51 0.01 . 2 . . . . . . . . 60 1 166 . 1 1 27 27 CYS HB3 H 1 3.59 0.01 . 2 . . . . . . . . 60 1 167 . 1 1 28 28 ALA H H 1 8.22 0.01 . 1 . . . . . . . . 60 1 168 . 1 1 28 28 ALA HA H 1 4.32 0.01 . 1 . . . . . . . . 60 1 169 . 1 1 28 28 ALA HB1 H 1 1.43 0.01 . 1 . . . . . . . . 60 1 170 . 1 1 28 28 ALA HB2 H 1 1.43 0.01 . 1 . . . . . . . . 60 1 171 . 1 1 28 28 ALA HB3 H 1 1.43 0.01 . 1 . . . . . . . . 60 1 172 . 1 1 29 29 GLU H H 1 7.05 0.01 . 1 . . . . . . . . 60 1 173 . 1 1 29 29 GLU HA H 1 4.74 0.01 . 1 . . . . . . . . 60 1 174 . 1 1 29 29 GLU HB2 H 1 1.99 0.01 . 2 . . . . . . . . 60 1 175 . 1 1 29 29 GLU HB3 H 1 2.17 0.01 . 2 . . . . . . . . 60 1 176 . 1 1 29 29 GLU HG2 H 1 2.36 0.01 . 1 . . . . . . . . 60 1 177 . 1 1 29 29 GLU HG3 H 1 2.36 0.01 . 1 . . . . . . . . 60 1 178 . 1 1 30 30 THR H H 1 8.47 0.01 . 1 . . . . . . . . 60 1 179 . 1 1 30 30 THR HA H 1 4.11 0.01 . 1 . . . . . . . . 60 1 180 . 1 1 30 30 THR HB H 1 3.95 0.01 . 1 . . . . . . . . 60 1 181 . 1 1 30 30 THR HG21 H 1 1.03 0.01 . 1 . . . . . . . . 60 1 182 . 1 1 30 30 THR HG22 H 1 1.03 0.01 . 1 . . . . . . . . 60 1 183 . 1 1 30 30 THR HG23 H 1 1.03 0.01 . 1 . . . . . . . . 60 1 184 . 1 1 31 31 VAL H H 1 7.8 0.01 . 1 . . . . . . . . 60 1 185 . 1 1 31 31 VAL HA H 1 4.59 0.01 . 1 . . . . . . . . 60 1 186 . 1 1 31 31 VAL HB H 1 1.91 0.01 . 1 . . . . . . . . 60 1 187 . 1 1 31 31 VAL HG11 H 1 .86 0.01 . 2 . . . . . . . . 60 1 188 . 1 1 31 31 VAL HG12 H 1 .86 0.01 . 2 . . . . . . . . 60 1 189 . 1 1 31 31 VAL HG13 H 1 .86 0.01 . 2 . . . . . . . . 60 1 190 . 1 1 31 31 VAL HG21 H 1 .9 0.01 . 2 . . . . . . . . 60 1 191 . 1 1 31 31 VAL HG22 H 1 .9 0.01 . 2 . . . . . . . . 60 1 192 . 1 1 31 31 VAL HG23 H 1 .9 0.01 . 2 . . . . . . . . 60 1 193 . 1 1 32 32 THR H H 1 8.24 0.01 . 1 . . . . . . . . 60 1 194 . 1 1 32 32 THR HA H 1 5.47 0.01 . 1 . . . . . . . . 60 1 195 . 1 1 32 32 THR HB H 1 4.04 0.01 . 1 . . . . . . . . 60 1 196 . 1 1 32 32 THR HG21 H 1 1.1 0.01 . 1 . . . . . . . . 60 1 197 . 1 1 32 32 THR HG22 H 1 1.1 0.01 . 1 . . . . . . . . 60 1 198 . 1 1 32 32 THR HG23 H 1 1.1 0.01 . 1 . . . . . . . . 60 1 199 . 1 1 33 33 VAL H H 1 8.93 0.01 . 1 . . . . . . . . 60 1 200 . 1 1 33 33 VAL HA H 1 5.57 0.01 . 1 . . . . . . . . 60 1 201 . 1 1 33 33 VAL HB H 1 2.1 0.01 . 1 . . . . . . . . 60 1 202 . 1 1 33 33 VAL HG11 H 1 .75 0.01 . 2 . . . . . . . . 60 1 203 . 1 1 33 33 VAL HG12 H 1 .75 0.01 . 2 . . . . . . . . 60 1 204 . 1 1 33 33 VAL HG13 H 1 .75 0.01 . 2 . . . . . . . . 60 1 205 . 1 1 33 33 VAL HG21 H 1 .79 0.01 . 2 . . . . . . . . 60 1 206 . 1 1 33 33 VAL HG22 H 1 .79 0.01 . 2 . . . . . . . . 60 1 207 . 1 1 33 33 VAL HG23 H 1 .79 0.01 . 2 . . . . . . . . 60 1 208 . 1 1 34 34 LYS H H 1 8.7 0.01 . 1 . . . . . . . . 60 1 209 . 1 1 34 34 LYS HA H 1 5.17 0.01 . 1 . . . . . . . . 60 1 210 . 1 1 34 34 LYS HB2 H 1 1.4 0.01 . 2 . . . . . . . . 60 1 211 . 1 1 34 34 LYS HB3 H 1 1.44 0.01 . 2 . . . . . . . . 60 1 212 . 1 1 34 34 LYS HG2 H 1 .96 0.01 . 2 . . . . . . . . 60 1 213 . 1 1 34 34 LYS HG3 H 1 1.1 0.01 . 2 . . . . . . . . 60 1 214 . 1 1 34 34 LYS HD2 H 1 1.52 0.01 . 2 . . . . . . . . 60 1 215 . 1 1 34 34 LYS HD3 H 1 1.6 0.01 . 2 . . . . . . . . 60 1 216 . 1 1 34 34 LYS HE2 H 1 2.64 0.01 . 2 . . . . . . . . 60 1 217 . 1 1 34 34 LYS HE3 H 1 2.82 0.01 . 2 . . . . . . . . 60 1 218 . 1 1 35 35 VAL H H 1 9.53 0.01 . 1 . . . . . . . . 60 1 219 . 1 1 35 35 VAL HA H 1 3.85 0.01 . 1 . . . . . . . . 60 1 220 . 1 1 35 35 VAL HB H 1 1.44 0.01 . 1 . . . . . . . . 60 1 221 . 1 1 35 35 VAL HG11 H 1 .12 0.01 . 2 . . . . . . . . 60 1 222 . 1 1 35 35 VAL HG12 H 1 .12 0.01 . 2 . . . . . . . . 60 1 223 . 1 1 35 35 VAL HG13 H 1 .12 0.01 . 2 . . . . . . . . 60 1 224 . 1 1 35 35 VAL HG21 H 1 .56 0.01 . 2 . . . . . . . . 60 1 225 . 1 1 35 35 VAL HG22 H 1 .56 0.01 . 2 . . . . . . . . 60 1 226 . 1 1 35 35 VAL HG23 H 1 .56 0.01 . 2 . . . . . . . . 60 1 227 . 1 1 36 36 VAL H H 1 7.83 0.01 . 1 . . . . . . . . 60 1 228 . 1 1 36 36 VAL HA H 1 4.25 0.01 . 1 . . . . . . . . 60 1 229 . 1 1 36 36 VAL HB H 1 1.08 0.01 . 1 . . . . . . . . 60 1 230 . 1 1 36 36 VAL HG11 H 1 .48 0.01 . 2 . . . . . . . . 60 1 231 . 1 1 36 36 VAL HG12 H 1 .48 0.01 . 2 . . . . . . . . 60 1 232 . 1 1 36 36 VAL HG13 H 1 .48 0.01 . 2 . . . . . . . . 60 1 233 . 1 1 36 36 VAL HG21 H 1 .86 0.01 . 2 . . . . . . . . 60 1 234 . 1 1 36 36 VAL HG22 H 1 .86 0.01 . 2 . . . . . . . . 60 1 235 . 1 1 36 36 VAL HG23 H 1 .86 0.01 . 2 . . . . . . . . 60 1 236 . 1 1 37 37 TYR H H 1 8.73 0.01 . 1 . . . . . . . . 60 1 237 . 1 1 37 37 TYR HA H 1 4.83 0.01 . 1 . . . . . . . . 60 1 238 . 1 1 37 37 TYR HB2 H 1 2.95 0.01 . 2 . . . . . . . . 60 1 239 . 1 1 37 37 TYR HB3 H 1 3.38 0.01 . 2 . . . . . . . . 60 1 240 . 1 1 37 37 TYR HD1 H 1 6.67 0.01 . 1 . . . . . . . . 60 1 241 . 1 1 37 37 TYR HD2 H 1 6.67 0.01 . 1 . . . . . . . . 60 1 242 . 1 1 37 37 TYR HE1 H 1 6.5 0.01 . 1 . . . . . . . . 60 1 243 . 1 1 37 37 TYR HE2 H 1 6.5 0.01 . 1 . . . . . . . . 60 1 244 . 1 1 38 38 GLU H H 1 8.8 0.01 . 1 . . . . . . . . 60 1 245 . 1 1 38 38 GLU HA H 1 4.14 0.01 . 1 . . . . . . . . 60 1 246 . 1 1 38 38 GLU HB2 H 1 2.36 0.01 . 2 . . . . . . . . 60 1 247 . 1 1 38 38 GLU HB3 H 1 2.53 0.01 . 2 . . . . . . . . 60 1 248 . 1 1 38 38 GLU HG2 H 1 2.79 0.01 . 1 . . . . . . . . 60 1 249 . 1 1 38 38 GLU HG3 H 1 2.79 0.01 . 1 . . . . . . . . 60 1 250 . 1 1 39 39 ASP H H 1 7.62 0.01 . 1 . . . . . . . . 60 1 251 . 1 1 39 39 ASP HA H 1 4.63 0.01 . 1 . . . . . . . . 60 1 252 . 1 1 39 39 ASP HB2 H 1 2.68 0.01 . 2 . . . . . . . . 60 1 253 . 1 1 39 39 ASP HB3 H 1 3.22 0.01 . 2 . . . . . . . . 60 1 254 . 1 1 40 40 ASP H H 1 8.34 0.01 . 1 . . . . . . . . 60 1 255 . 1 1 40 40 ASP HA H 1 4.35 0.01 . 1 . . . . . . . . 60 1 256 . 1 1 40 40 ASP HB2 H 1 3.24 0.01 . 1 . . . . . . . . 60 1 257 . 1 1 40 40 ASP HB3 H 1 3.24 0.01 . 1 . . . . . . . . 60 1 258 . 1 1 41 41 THR H H 1 7.8 0.01 . 1 . . . . . . . . 60 1 259 . 1 1 41 41 THR HA H 1 4.48 0.01 . 1 . . . . . . . . 60 1 260 . 1 1 41 41 THR HB H 1 4.07 0.01 . 1 . . . . . . . . 60 1 261 . 1 1 41 41 THR HG21 H 1 1.07 0.01 . 1 . . . . . . . . 60 1 262 . 1 1 41 41 THR HG22 H 1 1.07 0.01 . 1 . . . . . . . . 60 1 263 . 1 1 41 41 THR HG23 H 1 1.07 0.01 . 1 . . . . . . . . 60 1 264 . 1 1 42 42 GLU H H 1 8.29 0.01 . 1 . . . . . . . . 60 1 265 . 1 1 42 42 GLU HA H 1 5.55 0.01 . 1 . . . . . . . . 60 1 266 . 1 1 42 42 GLU HB2 H 1 2.01 0.01 . 1 . . . . . . . . 60 1 267 . 1 1 42 42 GLU HB3 H 1 2.01 0.01 . 1 . . . . . . . . 60 1 268 . 1 1 42 42 GLU HG2 H 1 2.3 0.01 . 2 . . . . . . . . 60 1 269 . 1 1 42 42 GLU HG3 H 1 2.48 0.01 . 2 . . . . . . . . 60 1 270 . 1 1 43 43 GLY H H 1 9.02 0.01 . 1 . . . . . . . . 60 1 271 . 1 1 43 43 GLY HA2 H 1 4.35 0.01 . 2 . . . . . . . . 60 1 272 . 1 1 43 43 GLY HA3 H 1 4.53 0.01 . 2 . . . . . . . . 60 1 273 . 1 1 44 44 LEU H H 1 7.88 0.01 . 1 . . . . . . . . 60 1 274 . 1 1 44 44 LEU HA H 1 4.27 0.01 . 1 . . . . . . . . 60 1 275 . 1 1 44 44 LEU HB2 H 1 1.26 0.01 . 2 . . . . . . . . 60 1 276 . 1 1 44 44 LEU HB3 H 1 1.56 0.01 . 2 . . . . . . . . 60 1 277 . 1 1 44 44 LEU HG H 1 1.75 0.01 . 1 . . . . . . . . 60 1 278 . 1 1 44 44 LEU HD11 H 1 .91 0.01 . 2 . . . . . . . . 60 1 279 . 1 1 44 44 LEU HD12 H 1 .91 0.01 . 2 . . . . . . . . 60 1 280 . 1 1 44 44 LEU HD13 H 1 .91 0.01 . 2 . . . . . . . . 60 1 281 . 1 1 44 44 LEU HD21 H 1 .85 0.01 . 2 . . . . . . . . 60 1 282 . 1 1 44 44 LEU HD22 H 1 .85 0.01 . 2 . . . . . . . . 60 1 283 . 1 1 44 44 LEU HD23 H 1 .85 0.01 . 2 . . . . . . . . 60 1 284 . 1 1 45 45 CYS H H 1 7.83 0.01 . 1 . . . . . . . . 60 1 285 . 1 1 45 45 CYS HA H 1 4.82 0.01 . 1 . . . . . . . . 60 1 286 . 1 1 45 45 CYS HB2 H 1 2.58 0.01 . 2 . . . . . . . . 60 1 287 . 1 1 45 45 CYS HB3 H 1 2.96 0.01 . 2 . . . . . . . . 60 1 288 . 1 1 46 46 TYR H H 1 9.5 0.01 . 1 . . . . . . . . 60 1 289 . 1 1 46 46 TYR HA H 1 4.56 0.01 . 1 . . . . . . . . 60 1 290 . 1 1 46 46 TYR HB2 H 1 2.52 0.01 . 2 . . . . . . . . 60 1 291 . 1 1 46 46 TYR HB3 H 1 2.75 0.01 . 2 . . . . . . . . 60 1 292 . 1 1 46 46 TYR HD1 H 1 7.2 0.01 . 1 . . . . . . . . 60 1 293 . 1 1 46 46 TYR HD2 H 1 7.2 0.01 . 1 . . . . . . . . 60 1 294 . 1 1 46 46 TYR HE1 H 1 6.76 0.01 . 1 . . . . . . . . 60 1 295 . 1 1 46 46 TYR HE2 H 1 6.76 0.01 . 1 . . . . . . . . 60 1 296 . 1 1 47 47 ALA H H 1 8.55 0.01 . 1 . . . . . . . . 60 1 297 . 1 1 47 47 ALA HA H 1 4.93 0.01 . 1 . . . . . . . . 60 1 298 . 1 1 47 47 ALA HB1 H 1 1.25 0.01 . 1 . . . . . . . . 60 1 299 . 1 1 47 47 ALA HB2 H 1 1.25 0.01 . 1 . . . . . . . . 60 1 300 . 1 1 47 47 ALA HB3 H 1 1.25 0.01 . 1 . . . . . . . . 60 1 301 . 1 1 48 48 VAL H H 1 8.96 0.01 . 1 . . . . . . . . 60 1 302 . 1 1 48 48 VAL HA H 1 4.28 0.01 . 1 . . . . . . . . 60 1 303 . 1 1 48 48 VAL HB H 1 1.97 0.01 . 1 . . . . . . . . 60 1 304 . 1 1 48 48 VAL HG11 H 1 .77 0.01 . 2 . . . . . . . . 60 1 305 . 1 1 48 48 VAL HG12 H 1 .77 0.01 . 2 . . . . . . . . 60 1 306 . 1 1 48 48 VAL HG13 H 1 .77 0.01 . 2 . . . . . . . . 60 1 307 . 1 1 48 48 VAL HG21 H 1 1.04 0.01 . 2 . . . . . . . . 60 1 308 . 1 1 48 48 VAL HG22 H 1 1.04 0.01 . 2 . . . . . . . . 60 1 309 . 1 1 48 48 VAL HG23 H 1 1.04 0.01 . 2 . . . . . . . . 60 1 310 . 1 1 49 49 ALA H H 1 8.81 0.01 . 1 . . . . . . . . 60 1 311 . 1 1 49 49 ALA HA H 1 4.72 0.01 . 1 . . . . . . . . 60 1 312 . 1 1 49 49 ALA HB1 H 1 1.34 0.01 . 1 . . . . . . . . 60 1 313 . 1 1 49 49 ALA HB2 H 1 1.34 0.01 . 1 . . . . . . . . 60 1 314 . 1 1 49 49 ALA HB3 H 1 1.34 0.01 . 1 . . . . . . . . 60 1 315 . 1 1 50 50 PRO HA H 1 4.08 0.01 . 1 . . . . . . . . 60 1 316 . 1 1 50 50 PRO HB2 H 1 1.78 0.01 . 2 . . . . . . . . 60 1 317 . 1 1 50 50 PRO HB3 H 1 2.26 0.01 . 2 . . . . . . . . 60 1 318 . 1 1 50 50 PRO HG2 H 1 1.35 0.01 . 2 . . . . . . . . 60 1 319 . 1 1 50 50 PRO HG3 H 1 1.97 0.01 . 2 . . . . . . . . 60 1 320 . 1 1 50 50 PRO HD2 H 1 3.48 0.01 . 2 . . . . . . . . 60 1 321 . 1 1 50 50 PRO HD3 H 1 3.73 0.01 . 2 . . . . . . . . 60 1 322 . 1 1 51 51 GLY H H 1 9.13 0.01 . 1 . . . . . . . . 60 1 323 . 1 1 51 51 GLY HA2 H 1 3.75 0.01 . 2 . . . . . . . . 60 1 324 . 1 1 51 51 GLY HA3 H 1 4.14 0.01 . 2 . . . . . . . . 60 1 325 . 1 1 52 52 GLN H H 1 8.03 0.01 . 1 . . . . . . . . 60 1 326 . 1 1 52 52 GLN HA H 1 4.41 0.01 . 1 . . . . . . . . 60 1 327 . 1 1 52 52 GLN HB2 H 1 1.93 0.01 . 2 . . . . . . . . 60 1 328 . 1 1 52 52 GLN HB3 H 1 2.29 0.01 . 2 . . . . . . . . 60 1 329 . 1 1 52 52 GLN HG2 H 1 2.18 0.01 . 2 . . . . . . . . 60 1 330 . 1 1 52 52 GLN HG3 H 1 2.38 0.01 . 2 . . . . . . . . 60 1 331 . 1 1 52 52 GLN HE21 H 1 6.77 0.01 . 2 . . . . . . . . 60 1 332 . 1 1 52 52 GLN HE22 H 1 7.42 0.01 . 2 . . . . . . . . 60 1 333 . 1 1 53 53 ILE H H 1 7.78 0.01 . 1 . . . . . . . . 60 1 334 . 1 1 53 53 ILE HA H 1 5.15 0.01 . 1 . . . . . . . . 60 1 335 . 1 1 53 53 ILE HB H 1 1.52 0.01 . 1 . . . . . . . . 60 1 336 . 1 1 53 53 ILE HG12 H 1 .69 0.01 . 2 . . . . . . . . 60 1 337 . 1 1 53 53 ILE HG13 H 1 1.44 0.01 . 2 . . . . . . . . 60 1 338 . 1 1 53 53 ILE HG21 H 1 .64 0.01 . 1 . . . . . . . . 60 1 339 . 1 1 53 53 ILE HG22 H 1 .64 0.01 . 1 . . . . . . . . 60 1 340 . 1 1 53 53 ILE HG23 H 1 .64 0.01 . 1 . . . . . . . . 60 1 341 . 1 1 53 53 ILE HD11 H 1 .73 0.01 . 1 . . . . . . . . 60 1 342 . 1 1 53 53 ILE HD12 H 1 .73 0.01 . 1 . . . . . . . . 60 1 343 . 1 1 53 53 ILE HD13 H 1 .73 0.01 . 1 . . . . . . . . 60 1 344 . 1 1 54 54 THR H H 1 8.46 0.01 . 1 . . . . . . . . 60 1 345 . 1 1 54 54 THR HA H 1 4.66 0.01 . 1 . . . . . . . . 60 1 346 . 1 1 54 54 THR HB H 1 3.64 0.01 . 1 . . . . . . . . 60 1 347 . 1 1 54 54 THR HG21 H 1 .97 0.01 . 1 . . . . . . . . 60 1 348 . 1 1 54 54 THR HG22 H 1 .97 0.01 . 1 . . . . . . . . 60 1 349 . 1 1 54 54 THR HG23 H 1 .97 0.01 . 1 . . . . . . . . 60 1 350 . 1 1 55 55 THR H H 1 8.49 0.01 . 1 . . . . . . . . 60 1 351 . 1 1 55 55 THR HA H 1 4.34 0.01 . 1 . . . . . . . . 60 1 352 . 1 1 55 55 THR HB H 1 3.94 0.01 . 1 . . . . . . . . 60 1 353 . 1 1 55 55 THR HG21 H 1 1.2 0.01 . 1 . . . . . . . . 60 1 354 . 1 1 55 55 THR HG22 H 1 1.2 0.01 . 1 . . . . . . . . 60 1 355 . 1 1 55 55 THR HG23 H 1 1.2 0.01 . 1 . . . . . . . . 60 1 356 . 1 1 56 56 VAL H H 1 8.17 0.01 . 1 . . . . . . . . 60 1 357 . 1 1 56 56 VAL HA H 1 3.86 0.01 . 1 . . . . . . . . 60 1 358 . 1 1 56 56 VAL HB H 1 2.32 0.01 . 1 . . . . . . . . 60 1 359 . 1 1 56 56 VAL HG11 H 1 .28 0.01 . 2 . . . . . . . . 60 1 360 . 1 1 56 56 VAL HG12 H 1 .28 0.01 . 2 . . . . . . . . 60 1 361 . 1 1 56 56 VAL HG13 H 1 .28 0.01 . 2 . . . . . . . . 60 1 362 . 1 1 56 56 VAL HG21 H 1 .42 0.01 . 2 . . . . . . . . 60 1 363 . 1 1 56 56 VAL HG22 H 1 .42 0.01 . 2 . . . . . . . . 60 1 364 . 1 1 56 56 VAL HG23 H 1 .42 0.01 . 2 . . . . . . . . 60 1 365 . 1 1 57 57 GLY H H 1 7.42 0.01 . 1 . . . . . . . . 60 1 366 . 1 1 57 57 GLY HA2 H 1 4.2 0.01 . 2 . . . . . . . . 60 1 367 . 1 1 57 57 GLY HA3 H 1 4.29 0.01 . 2 . . . . . . . . 60 1 368 . 1 1 58 58 ASP H H 1 8.71 0.01 . 1 . . . . . . . . 60 1 369 . 1 1 58 58 ASP HA H 1 4.99 0.01 . 1 . . . . . . . . 60 1 370 . 1 1 58 58 ASP HB2 H 1 2.83 0.01 . 2 . . . . . . . . 60 1 371 . 1 1 58 58 ASP HB3 H 1 2.97 0.01 . 2 . . . . . . . . 60 1 372 . 1 1 59 59 GLY H H 1 8.25 0.01 . 1 . . . . . . . . 60 1 373 . 1 1 59 59 GLY HA2 H 1 3.37 0.01 . 2 . . . . . . . . 60 1 374 . 1 1 59 59 GLY HA3 H 1 4.04 0.01 . 2 . . . . . . . . 60 1 375 . 1 1 60 60 TYR H H 1 7.54 0.01 . 1 . . . . . . . . 60 1 376 . 1 1 60 60 TYR HA H 1 4.08 0.01 . 1 . . . . . . . . 60 1 377 . 1 1 60 60 TYR HB2 H 1 2.32 0.01 . 2 . . . . . . . . 60 1 378 . 1 1 60 60 TYR HB3 H 1 2.55 0.01 . 2 . . . . . . . . 60 1 379 . 1 1 60 60 TYR HD1 H 1 6.67 0.01 . 1 . . . . . . . . 60 1 380 . 1 1 60 60 TYR HD2 H 1 6.67 0.01 . 1 . . . . . . . . 60 1 381 . 1 1 60 60 TYR HE1 H 1 6.85 0.01 . 1 . . . . . . . . 60 1 382 . 1 1 60 60 TYR HE2 H 1 6.85 0.01 . 1 . . . . . . . . 60 1 383 . 1 1 61 61 ILE H H 1 7.02 0.01 . 1 . . . . . . . . 60 1 384 . 1 1 61 61 ILE HA H 1 4.46 0.01 . 1 . . . . . . . . 60 1 385 . 1 1 61 61 ILE HB H 1 2.07 0.01 . 1 . . . . . . . . 60 1 386 . 1 1 61 61 ILE HG12 H 1 1.34 0.01 . 2 . . . . . . . . 60 1 387 . 1 1 61 61 ILE HG13 H 1 1.37 0.01 . 2 . . . . . . . . 60 1 388 . 1 1 61 61 ILE HG21 H 1 .94 0.01 . 1 . . . . . . . . 60 1 389 . 1 1 61 61 ILE HG22 H 1 .94 0.01 . 1 . . . . . . . . 60 1 390 . 1 1 61 61 ILE HG23 H 1 .94 0.01 . 1 . . . . . . . . 60 1 391 . 1 1 61 61 ILE HD11 H 1 .9 0.01 . 1 . . . . . . . . 60 1 392 . 1 1 61 61 ILE HD12 H 1 .9 0.01 . 1 . . . . . . . . 60 1 393 . 1 1 61 61 ILE HD13 H 1 .9 0.01 . 1 . . . . . . . . 60 1 394 . 1 1 62 62 GLY H H 1 7.53 0.01 . 1 . . . . . . . . 60 1 395 . 1 1 62 62 GLY HA2 H 1 3.9 0.01 . 2 . . . . . . . . 60 1 396 . 1 1 62 62 GLY HA3 H 1 4.09 0.01 . 2 . . . . . . . . 60 1 397 . 1 1 63 63 SER H H 1 8.25 0.01 . 1 . . . . . . . . 60 1 398 . 1 1 63 63 SER HA H 1 3.95 0.01 . 1 . . . . . . . . 60 1 399 . 1 1 63 63 SER HB2 H 1 3.47 0.01 . 2 . . . . . . . . 60 1 400 . 1 1 63 63 SER HB3 H 1 3.57 0.01 . 2 . . . . . . . . 60 1 401 . 1 1 64 64 HIS H H 1 8.22 0.01 . 1 . . . . . . . . 60 1 402 . 1 1 64 64 HIS HA H 1 4.49 0.01 . 1 . . . . . . . . 60 1 403 . 1 1 64 64 HIS HB2 H 1 1.78 0.01 . 2 . . . . . . . . 60 1 404 . 1 1 64 64 HIS HB3 H 1 2.77 0.01 . 2 . . . . . . . . 60 1 405 . 1 1 64 64 HIS HD2 H 1 6.82 0.01 . 1 . . . . . . . . 60 1 406 . 1 1 64 64 HIS HE1 H 1 8.47 0.01 . 1 . . . . . . . . 60 1 407 . 1 1 65 65 GLY H H 1 7.28 0.01 . 1 . . . . . . . . 60 1 408 . 1 1 65 65 GLY HA2 H 1 3.81 0.01 . 2 . . . . . . . . 60 1 409 . 1 1 65 65 GLY HA3 H 1 4.11 0.01 . 2 . . . . . . . . 60 1 410 . 1 1 66 66 HIS H H 1 8.91 0.01 . 1 . . . . . . . . 60 1 411 . 1 1 66 66 HIS HA H 1 4.7 0.01 . 1 . . . . . . . . 60 1 412 . 1 1 66 66 HIS HB2 H 1 3.14 0.01 . 2 . . . . . . . . 60 1 413 . 1 1 66 66 HIS HB3 H 1 3.26 0.01 . 2 . . . . . . . . 60 1 414 . 1 1 66 66 HIS HD2 H 1 7.46 0.01 . 1 . . . . . . . . 60 1 415 . 1 1 66 66 HIS HE1 H 1 8.24 0.01 . 1 . . . . . . . . 60 1 416 . 1 1 67 67 ALA H H 1 9.12 0.01 . 1 . . . . . . . . 60 1 417 . 1 1 67 67 ALA HA H 1 4.2 0.01 . 1 . . . . . . . . 60 1 418 . 1 1 67 67 ALA HB1 H 1 1.08 0.01 . 1 . . . . . . . . 60 1 419 . 1 1 67 67 ALA HB2 H 1 1.08 0.01 . 1 . . . . . . . . 60 1 420 . 1 1 67 67 ALA HB3 H 1 1.08 0.01 . 1 . . . . . . . . 60 1 421 . 1 1 68 68 ARG H H 1 9.44 0.01 . 1 . . . . . . . . 60 1 422 . 1 1 68 68 ARG HA H 1 4.4 0.01 . 1 . . . . . . . . 60 1 423 . 1 1 68 68 ARG HB2 H 1 1.44 0.01 . 2 . . . . . . . . 60 1 424 . 1 1 68 68 ARG HB3 H 1 1.91 0.01 . 2 . . . . . . . . 60 1 425 . 1 1 68 68 ARG HG2 H 1 1.62 0.01 . 1 . . . . . . . . 60 1 426 . 1 1 68 68 ARG HG3 H 1 1.62 0.01 . 1 . . . . . . . . 60 1 427 . 1 1 68 68 ARG HD2 H 1 3.23 0.01 . 2 . . . . . . . . 60 1 428 . 1 1 68 68 ARG HD3 H 1 3.25 0.01 . 2 . . . . . . . . 60 1 429 . 1 1 68 68 ARG HE H 1 7.16 0.01 . 1 . . . . . . . . 60 1 430 . 1 1 69 69 TYR H H 1 7.35 0.01 . 1 . . . . . . . . 60 1 431 . 1 1 69 69 TYR HA H 1 4.6 0.01 . 1 . . . . . . . . 60 1 432 . 1 1 69 69 TYR HB2 H 1 3.08 0.01 . 2 . . . . . . . . 60 1 433 . 1 1 69 69 TYR HB3 H 1 3.43 0.01 . 2 . . . . . . . . 60 1 434 . 1 1 69 69 TYR HD1 H 1 6.88 0.01 . 1 . . . . . . . . 60 1 435 . 1 1 69 69 TYR HD2 H 1 6.88 0.01 . 1 . . . . . . . . 60 1 436 . 1 1 69 69 TYR HE1 H 1 6.61 0.01 . 1 . . . . . . . . 60 1 437 . 1 1 69 69 TYR HE2 H 1 6.61 0.01 . 1 . . . . . . . . 60 1 438 . 1 1 70 70 LEU H H 1 8.67 0.01 . 1 . . . . . . . . 60 1 439 . 1 1 70 70 LEU HA H 1 4.87 0.01 . 1 . . . . . . . . 60 1 440 . 1 1 70 70 LEU HB2 H 1 1.11 0.01 . 2 . . . . . . . . 60 1 441 . 1 1 70 70 LEU HB3 H 1 1.79 0.01 . 2 . . . . . . . . 60 1 442 . 1 1 70 70 LEU HG H 1 1.6 0.01 . 1 . . . . . . . . 60 1 443 . 1 1 70 70 LEU HD11 H 1 .61 0.01 . 2 . . . . . . . . 60 1 444 . 1 1 70 70 LEU HD12 H 1 .61 0.01 . 2 . . . . . . . . 60 1 445 . 1 1 70 70 LEU HD13 H 1 .61 0.01 . 2 . . . . . . . . 60 1 446 . 1 1 70 70 LEU HD21 H 1 .7 0.01 . 2 . . . . . . . . 60 1 447 . 1 1 70 70 LEU HD22 H 1 .7 0.01 . 2 . . . . . . . . 60 1 448 . 1 1 70 70 LEU HD23 H 1 .7 0.01 . 2 . . . . . . . . 60 1 449 . 1 1 71 71 ALA H H 1 9.53 0.01 . 1 . . . . . . . . 60 1 450 . 1 1 71 71 ALA HA H 1 5.09 0.01 . 1 . . . . . . . . 60 1 451 . 1 1 71 71 ALA HB1 H 1 1.23 0.01 . 1 . . . . . . . . 60 1 452 . 1 1 71 71 ALA HB2 H 1 1.23 0.01 . 1 . . . . . . . . 60 1 453 . 1 1 71 71 ALA HB3 H 1 1.23 0.01 . 1 . . . . . . . . 60 1 454 . 1 1 72 72 ARG H H 1 8.56 0.01 . 1 . . . . . . . . 60 1 455 . 1 1 72 72 ARG HA H 1 4.64 0.01 . 1 . . . . . . . . 60 1 456 . 1 1 72 72 ARG HB2 H 1 1.68 0.01 . 2 . . . . . . . . 60 1 457 . 1 1 72 72 ARG HB3 H 1 1.79 0.01 . 2 . . . . . . . . 60 1 458 . 1 1 72 72 ARG HG2 H 1 1.6 0.01 . 2 . . . . . . . . 60 1 459 . 1 1 72 72 ARG HG3 H 1 1.66 0.01 . 2 . . . . . . . . 60 1 460 . 1 1 72 72 ARG HD2 H 1 3.19 0.01 . 1 . . . . . . . . 60 1 461 . 1 1 72 72 ARG HD3 H 1 3.19 0.01 . 1 . . . . . . . . 60 1 462 . 1 1 72 72 ARG HE H 1 7.25 0.01 . 1 . . . . . . . . 60 1 463 . 1 1 73 73 CYS H H 1 8.04 0.01 . 1 . . . . . . . . 60 1 464 . 1 1 73 73 CYS HA H 1 4.77 0.01 . 1 . . . . . . . . 60 1 465 . 1 1 73 73 CYS HB2 H 1 3.08 0.01 . 2 . . . . . . . . 60 1 466 . 1 1 73 73 CYS HB3 H 1 3.28 0.01 . 2 . . . . . . . . 60 1 467 . 1 1 74 74 LEU H H 1 8.08 0.01 . 1 . . . . . . . . 60 1 468 . 1 1 74 74 LEU HA H 1 4.29 0.01 . 1 . . . . . . . . 60 1 469 . 1 1 74 74 LEU HB2 H 1 1.63 0.01 . 2 . . . . . . . . 60 1 470 . 1 1 74 74 LEU HB3 H 1 1.67 0.01 . 2 . . . . . . . . 60 1 471 . 1 1 74 74 LEU HG H 1 1.55 0.01 . 1 . . . . . . . . 60 1 472 . 1 1 74 74 LEU HD11 H 1 .86 0.01 . 2 . . . . . . . . 60 1 473 . 1 1 74 74 LEU HD12 H 1 .86 0.01 . 2 . . . . . . . . 60 1 474 . 1 1 74 74 LEU HD13 H 1 .86 0.01 . 2 . . . . . . . . 60 1 475 . 1 1 74 74 LEU HD21 H 1 .9 0.01 . 2 . . . . . . . . 60 1 476 . 1 1 74 74 LEU HD22 H 1 .9 0.01 . 2 . . . . . . . . 60 1 477 . 1 1 74 74 LEU HD23 H 1 .9 0.01 . 2 . . . . . . . . 60 1 stop_ save_