data_25447 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25447 _Entry.Title ; solution Structure of KstB-PCP in kosinostatin biosynthesis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-01-20 _Entry.Accession_date 2015-01-20 _Entry.Last_release_date 2016-01-19 _Entry.Original_release_date 2016-01-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 Bin Zhao . . . 25447 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25447 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Ppant binnding domain' . 25447 apo . 25447 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25447 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 273 25447 '15N chemical shifts' 92 25447 '1H chemical shifts' 615 25447 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 . . 2016-01-19 . original BMRB . 25447 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MY6 'BMRB Entry Tracking System' 25447 PDB 2my0 'Entry containing the same protein in two state' 25447 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25447 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; 1H and 15N Assigned Chemical Shifts for KstB-PCP ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _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 . _Citation.Page_last . _Citation.Year . _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 Bin Zhao . . . 25447 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25447 _Assembly.ID 1 _Assembly.Name KstB-PCP(apo) _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 entity 1 $entity A . yes native no no . . . 25447 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25447 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; SEMQHASVIAQFVVEEFLPD VAPADVDVDLDLVDNGVIDA LGLLKVIAWLEDRFGIAADD VELSPEHFRSIRSIDAFVVG ATTPPVEAKLQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 91 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9865.176 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -1 SER . 25447 1 2 0 GLU . 25447 1 3 1 MET . 25447 1 4 2 GLN . 25447 1 5 3 HIS . 25447 1 6 4 ALA . 25447 1 7 5 SER . 25447 1 8 6 VAL . 25447 1 9 7 ILE . 25447 1 10 8 ALA . 25447 1 11 9 GLN . 25447 1 12 10 PHE . 25447 1 13 11 VAL . 25447 1 14 12 VAL . 25447 1 15 13 GLU . 25447 1 16 14 GLU . 25447 1 17 15 PHE . 25447 1 18 16 LEU . 25447 1 19 17 PRO . 25447 1 20 18 ASP . 25447 1 21 19 VAL . 25447 1 22 20 ALA . 25447 1 23 21 PRO . 25447 1 24 22 ALA . 25447 1 25 23 ASP . 25447 1 26 24 VAL . 25447 1 27 25 ASP . 25447 1 28 26 VAL . 25447 1 29 27 ASP . 25447 1 30 28 LEU . 25447 1 31 29 ASP . 25447 1 32 30 LEU . 25447 1 33 31 VAL . 25447 1 34 32 ASP . 25447 1 35 33 ASN . 25447 1 36 34 GLY . 25447 1 37 35 VAL . 25447 1 38 36 ILE . 25447 1 39 37 ASP . 25447 1 40 38 ALA . 25447 1 41 39 LEU . 25447 1 42 40 GLY . 25447 1 43 41 LEU . 25447 1 44 42 LEU . 25447 1 45 43 LYS . 25447 1 46 44 VAL . 25447 1 47 45 ILE . 25447 1 48 46 ALA . 25447 1 49 47 TRP . 25447 1 50 48 LEU . 25447 1 51 49 GLU . 25447 1 52 50 ASP . 25447 1 53 51 ARG . 25447 1 54 52 PHE . 25447 1 55 53 GLY . 25447 1 56 54 ILE . 25447 1 57 55 ALA . 25447 1 58 56 ALA . 25447 1 59 57 ASP . 25447 1 60 58 ASP . 25447 1 61 59 VAL . 25447 1 62 60 GLU . 25447 1 63 61 LEU . 25447 1 64 62 SER . 25447 1 65 63 PRO . 25447 1 66 64 GLU . 25447 1 67 65 HIS . 25447 1 68 66 PHE . 25447 1 69 67 ARG . 25447 1 70 68 SER . 25447 1 71 69 ILE . 25447 1 72 70 ARG . 25447 1 73 71 SER . 25447 1 74 72 ILE . 25447 1 75 73 ASP . 25447 1 76 74 ALA . 25447 1 77 75 PHE . 25447 1 78 76 VAL . 25447 1 79 77 VAL . 25447 1 80 78 GLY . 25447 1 81 79 ALA . 25447 1 82 80 THR . 25447 1 83 81 THR . 25447 1 84 82 PRO . 25447 1 85 83 PRO . 25447 1 86 84 VAL . 25447 1 87 85 GLU . 25447 1 88 86 ALA . 25447 1 89 87 LYS . 25447 1 90 88 LEU . 25447 1 91 89 GLN . 25447 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 25447 1 . GLU 2 2 25447 1 . MET 3 3 25447 1 . GLN 4 4 25447 1 . HIS 5 5 25447 1 . ALA 6 6 25447 1 . SER 7 7 25447 1 . VAL 8 8 25447 1 . ILE 9 9 25447 1 . ALA 10 10 25447 1 . GLN 11 11 25447 1 . PHE 12 12 25447 1 . VAL 13 13 25447 1 . VAL 14 14 25447 1 . GLU 15 15 25447 1 . GLU 16 16 25447 1 . PHE 17 17 25447 1 . LEU 18 18 25447 1 . PRO 19 19 25447 1 . ASP 20 20 25447 1 . VAL 21 21 25447 1 . ALA 22 22 25447 1 . PRO 23 23 25447 1 . ALA 24 24 25447 1 . ASP 25 25 25447 1 . VAL 26 26 25447 1 . ASP 27 27 25447 1 . VAL 28 28 25447 1 . ASP 29 29 25447 1 . LEU 30 30 25447 1 . ASP 31 31 25447 1 . LEU 32 32 25447 1 . VAL 33 33 25447 1 . ASP 34 34 25447 1 . ASN 35 35 25447 1 . GLY 36 36 25447 1 . VAL 37 37 25447 1 . ILE 38 38 25447 1 . ASP 39 39 25447 1 . ALA 40 40 25447 1 . LEU 41 41 25447 1 . GLY 42 42 25447 1 . LEU 43 43 25447 1 . LEU 44 44 25447 1 . LYS 45 45 25447 1 . VAL 46 46 25447 1 . ILE 47 47 25447 1 . ALA 48 48 25447 1 . TRP 49 49 25447 1 . LEU 50 50 25447 1 . GLU 51 51 25447 1 . ASP 52 52 25447 1 . ARG 53 53 25447 1 . PHE 54 54 25447 1 . GLY 55 55 25447 1 . ILE 56 56 25447 1 . ALA 57 57 25447 1 . ALA 58 58 25447 1 . ASP 59 59 25447 1 . ASP 60 60 25447 1 . VAL 61 61 25447 1 . GLU 62 62 25447 1 . LEU 63 63 25447 1 . SER 64 64 25447 1 . PRO 65 65 25447 1 . GLU 66 66 25447 1 . HIS 67 67 25447 1 . PHE 68 68 25447 1 . ARG 69 69 25447 1 . SER 70 70 25447 1 . ILE 71 71 25447 1 . ARG 72 72 25447 1 . SER 73 73 25447 1 . ILE 74 74 25447 1 . ASP 75 75 25447 1 . ALA 76 76 25447 1 . PHE 77 77 25447 1 . VAL 78 78 25447 1 . VAL 79 79 25447 1 . GLY 80 80 25447 1 . ALA 81 81 25447 1 . THR 82 82 25447 1 . THR 83 83 25447 1 . PRO 84 84 25447 1 . PRO 85 85 25447 1 . VAL 86 86 25447 1 . GLU 87 87 25447 1 . ALA 88 88 25447 1 . LYS 89 89 25447 1 . LEU 90 90 25447 1 . GLN 91 91 25447 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 25447 _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 . 1182970 organism . 'Micromonospora sp. TP-A0468' 'Micromonospora sp. TP-A0468' . . Bacteria . Micromonospora 'Micromonospora sp. TP-A0468' . . . . . . . . . . . KstB2 . 25447 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 25447 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28a . . . 25447 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25447 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '80mM phosphate, 50mM Sodium chloride' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 KstB-PCP(apo) '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 2 . . mM . . . . 25447 1 2 phosphate 'natural abundance' . . . . . . 80 . . mM . . . . 25447 1 3 'Sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25447 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 25447 _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 7.0 . pH 25447 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 25447 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 25447 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25447 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25447 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model INOVA _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 25447 _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 Agilent INOVA . 600 . . . 25447 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 25447 _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 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25447 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25447 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.76 na direct 1.0 . . . . . . . . . 25447 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25447 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCACB' . . . 25447 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 3 3 MET H H 1 8.313 . . . . . . A 1 MET H . 25447 1 2 . 1 1 3 3 MET HA H 1 4.484 . . . . . . A 1 MET HA . 25447 1 3 . 1 1 3 3 MET HB2 H 1 1.967 . . . . . . A 1 MET HB# . 25447 1 4 . 1 1 3 3 MET HB3 H 1 1.967 . . . . . . A 1 MET HB# . 25447 1 5 . 1 1 3 3 MET HG2 H 1 2.425 . . . . . . A 1 MET HG2 . 25447 1 6 . 1 1 3 3 MET HG3 H 1 2.257 . . . . . . A 1 MET HG3 . 25447 1 7 . 1 1 3 3 MET CA C 13 55.257 . . . . . . A 1 MET CA . 25447 1 8 . 1 1 3 3 MET CB C 13 34.517 . . . . . . A 1 MET CB . 25447 1 9 . 1 1 3 3 MET N N 15 120.668 . . . . . . A 1 MET N . 25447 1 10 . 1 1 4 4 GLN H H 1 9.455 . . . . . . A 2 GLN H . 25447 1 11 . 1 1 4 4 GLN HA H 1 4.030 . . . . . . A 2 GLN HA . 25447 1 12 . 1 1 4 4 GLN HB2 H 1 1.512 . . . . . . A 2 GLN HB2 . 25447 1 13 . 1 1 4 4 GLN HB3 H 1 1.489 . . . . . . A 2 GLN HB3 . 25447 1 14 . 1 1 4 4 GLN HG2 H 1 2.422 . . . . . . A 2 GLN HG2 . 25447 1 15 . 1 1 4 4 GLN HG3 H 1 1.908 . . . . . . A 2 GLN HG3 . 25447 1 16 . 1 1 4 4 GLN HE21 H 1 7.554 . . . . . . A 2 GLN HE21 . 25447 1 17 . 1 1 4 4 GLN CA C 13 57.874 . . . . . . A 2 GLN CA . 25447 1 18 . 1 1 4 4 GLN CB C 13 29.938 . . . . . . A 2 GLN CB . 25447 1 19 . 1 1 4 4 GLN CG C 13 33.748 . . . . . . A 2 GLN CG . 25447 1 20 . 1 1 4 4 GLN N N 15 123.739 . . . . . . A 2 GLN N . 25447 1 21 . 1 1 4 4 GLN NE2 N 15 113.035 . . . . . . A 2 GLN NE2 . 25447 1 22 . 1 1 5 5 HIS H H 1 9.783 . . . . . . A 3 HIS H . 25447 1 23 . 1 1 5 5 HIS HA H 1 5.116 . . . . . . A 3 HIS HA . 25447 1 24 . 1 1 5 5 HIS HB2 H 1 3.342 . . . . . . A 3 HIS HB2 . 25447 1 25 . 1 1 5 5 HIS HB3 H 1 3.089 . . . . . . A 3 HIS HB3 . 25447 1 26 . 1 1 5 5 HIS CA C 13 55.494 . . . . . . A 3 HIS CA . 25447 1 27 . 1 1 5 5 HIS CB C 13 31.015 . . . . . . A 3 HIS CB . 25447 1 28 . 1 1 5 5 HIS N N 15 119.115 . . . . . . A 3 HIS N . 25447 1 29 . 1 1 6 6 ALA H H 1 7.551 . . . . . . A 4 ALA H . 25447 1 30 . 1 1 6 6 ALA HA H 1 3.903 . . . . . . A 4 ALA HA . 25447 1 31 . 1 1 6 6 ALA HB1 H 1 1.555 . . . . . . A 4 ALA HB# . 25447 1 32 . 1 1 6 6 ALA HB2 H 1 1.555 . . . . . . A 4 ALA HB# . 25447 1 33 . 1 1 6 6 ALA HB3 H 1 1.555 . . . . . . A 4 ALA HB# . 25447 1 34 . 1 1 6 6 ALA CA C 13 56.479 . . . . . . A 4 ALA CA . 25447 1 35 . 1 1 6 6 ALA CB C 13 19.194 . . . . . . A 4 ALA CB . 25447 1 36 . 1 1 6 6 ALA N N 15 122.648 . . . . . . A 4 ALA N . 25447 1 37 . 1 1 7 7 SER H H 1 8.736 . . . . . . A 5 SER H . 25447 1 38 . 1 1 7 7 SER HA H 1 4.298 . . . . . . A 5 SER HA . 25447 1 39 . 1 1 7 7 SER HB2 H 1 4.026 . . . . . . A 5 SER HB# . 25447 1 40 . 1 1 7 7 SER HB3 H 1 4.026 . . . . . . A 5 SER HB# . 25447 1 41 . 1 1 7 7 SER CA C 13 62.117 . . . . . . A 5 SER CA . 25447 1 42 . 1 1 7 7 SER CB C 13 62.334 . . . . . . A 5 SER CB . 25447 1 43 . 1 1 7 7 SER N N 15 112.599 . . . . . . A 5 SER N . 25447 1 44 . 1 1 8 8 VAL H H 1 7.660 . . . . . . A 6 VAL H . 25447 1 45 . 1 1 8 8 VAL HA H 1 4.105 . . . . . . A 6 VAL HA . 25447 1 46 . 1 1 8 8 VAL HB H 1 2.577 . . . . . . A 6 VAL HB . 25447 1 47 . 1 1 8 8 VAL HG11 H 1 1.385 . . . . . . A 6 VAL HG# . 25447 1 48 . 1 1 8 8 VAL HG12 H 1 1.385 . . . . . . A 6 VAL HG# . 25447 1 49 . 1 1 8 8 VAL HG13 H 1 1.385 . . . . . . A 6 VAL HG# . 25447 1 50 . 1 1 8 8 VAL HG21 H 1 1.385 . . . . . . A 6 VAL HG# . 25447 1 51 . 1 1 8 8 VAL HG22 H 1 1.385 . . . . . . A 6 VAL HG# . 25447 1 52 . 1 1 8 8 VAL HG23 H 1 1.385 . . . . . . A 6 VAL HG# . 25447 1 53 . 1 1 8 8 VAL CA C 13 65.732 . . . . . . A 6 VAL CA . 25447 1 54 . 1 1 8 8 VAL CB C 13 32.737 . . . . . . A 6 VAL CB . 25447 1 55 . 1 1 8 8 VAL CG1 C 13 22.360 . . . . . . A 6 VAL CG1 . 25447 1 56 . 1 1 8 8 VAL CG2 C 13 21.983 . . . . . . A 6 VAL CG2 . 25447 1 57 . 1 1 8 8 VAL N N 15 122.866 . . . . . . A 6 VAL N . 25447 1 58 . 1 1 9 9 ILE H H 1 8.519 . . . . . . A 7 ILE H . 25447 1 59 . 1 1 9 9 ILE HA H 1 4.224 . . . . . . A 7 ILE HA . 25447 1 60 . 1 1 9 9 ILE HB H 1 1.953 . . . . . . A 7 ILE HB . 25447 1 61 . 1 1 9 9 ILE HG12 H 1 2.367 . . . . . . A 7 ILE HG12 . 25447 1 62 . 1 1 9 9 ILE HG13 H 1 1.378 . . . . . . A 7 ILE HG13 . 25447 1 63 . 1 1 9 9 ILE HG21 H 1 1.161 . . . . . . A 7 ILE HG2# . 25447 1 64 . 1 1 9 9 ILE HG22 H 1 1.161 . . . . . . A 7 ILE HG2# . 25447 1 65 . 1 1 9 9 ILE HG23 H 1 1.161 . . . . . . A 7 ILE HG2# . 25447 1 66 . 1 1 9 9 ILE HD11 H 1 1.026 . . . . . . A 7 ILE HD1# . 25447 1 67 . 1 1 9 9 ILE HD12 H 1 1.026 . . . . . . A 7 ILE HD1# . 25447 1 68 . 1 1 9 9 ILE HD13 H 1 1.026 . . . . . . A 7 ILE HD1# . 25447 1 69 . 1 1 9 9 ILE CA C 13 65.329 . . . . . . A 7 ILE CA . 25447 1 70 . 1 1 9 9 ILE CB C 13 38.693 . . . . . . A 7 ILE CB . 25447 1 71 . 1 1 9 9 ILE CG1 C 13 29.307 . . . . . . A 7 ILE CG1 . 25447 1 72 . 1 1 9 9 ILE CG2 C 13 19.596 . . . . . . A 7 ILE CG2 . 25447 1 73 . 1 1 9 9 ILE CD1 C 13 15.066 . . . . . . A 7 ILE CD1 . 25447 1 74 . 1 1 9 9 ILE N N 15 121.715 . . . . . . A 7 ILE N . 25447 1 75 . 1 1 10 10 ALA H H 1 8.940 . . . . . . A 8 ALA H . 25447 1 76 . 1 1 10 10 ALA HA H 1 3.895 . . . . . . A 8 ALA HA . 25447 1 77 . 1 1 10 10 ALA HB1 H 1 1.575 . . . . . . A 8 ALA HB# . 25447 1 78 . 1 1 10 10 ALA HB2 H 1 1.575 . . . . . . A 8 ALA HB# . 25447 1 79 . 1 1 10 10 ALA HB3 H 1 1.575 . . . . . . A 8 ALA HB# . 25447 1 80 . 1 1 10 10 ALA CA C 13 56.257 . . . . . . A 8 ALA CA . 25447 1 81 . 1 1 10 10 ALA CB C 13 18.640 . . . . . . A 8 ALA CB . 25447 1 82 . 1 1 10 10 ALA N N 15 121.373 . . . . . . A 8 ALA N . 25447 1 83 . 1 1 11 11 GLN H H 1 7.729 . . . . . . A 9 GLN H . 25447 1 84 . 1 1 11 11 GLN HA H 1 3.870 . . . . . . A 9 GLN HA . 25447 1 85 . 1 1 11 11 GLN HB2 H 1 2.263 . . . . . . A 9 GLN HB# . 25447 1 86 . 1 1 11 11 GLN HB3 H 1 2.263 . . . . . . A 9 GLN HB# . 25447 1 87 . 1 1 11 11 GLN HG2 H 1 2.478 . . . . . . A 9 GLN HG2 . 25447 1 88 . 1 1 11 11 GLN HG3 H 1 2.419 . . . . . . A 9 GLN HG3 . 25447 1 89 . 1 1 11 11 GLN HE21 H 1 6.890 . . . . . . A 9 GLN HE21 . 25447 1 90 . 1 1 11 11 GLN CA C 13 59.192 . . . . . . A 9 GLN CA . 25447 1 91 . 1 1 11 11 GLN CB C 13 28.138 . . . . . . A 9 GLN CB . 25447 1 92 . 1 1 11 11 GLN CG C 13 33.708 . . . . . . A 9 GLN CG . 25447 1 93 . 1 1 11 11 GLN N N 15 115.076 . . . . . . A 9 GLN N . 25447 1 94 . 1 1 11 11 GLN NE2 N 15 113.000 . . . . . . A 9 GLN NE2 . 25447 1 95 . 1 1 12 12 PHE H H 1 7.301 . . . . . . A 10 PHE H . 25447 1 96 . 1 1 12 12 PHE HA H 1 4.085 . . . . . . A 10 PHE HA . 25447 1 97 . 1 1 12 12 PHE HB2 H 1 2.416 . . . . . . A 10 PHE HB# . 25447 1 98 . 1 1 12 12 PHE HB3 H 1 2.416 . . . . . . A 10 PHE HB# . 25447 1 99 . 1 1 12 12 PHE HD1 H 1 7.199 . . . . . . A 10 PHE HD# . 25447 1 100 . 1 1 12 12 PHE HD2 H 1 7.199 . . . . . . A 10 PHE HD# . 25447 1 101 . 1 1 12 12 PHE HE1 H 1 6.436 . . . . . . A 10 PHE HE1 . 25447 1 102 . 1 1 12 12 PHE HE2 H 1 6.836 . . . . . . A 10 PHE HE2 . 25447 1 103 . 1 1 12 12 PHE HZ H 1 6.759 . . . . . . A 10 PHE HZ . 25447 1 104 . 1 1 12 12 PHE CA C 13 60.893 . . . . . . A 10 PHE CA . 25447 1 105 . 1 1 12 12 PHE CB C 13 38.932 . . . . . . A 10 PHE CB . 25447 1 106 . 1 1 12 12 PHE N N 15 120.207 . . . . . . A 10 PHE N . 25447 1 107 . 1 1 13 13 VAL H H 1 8.370 . . . . . . A 11 VAL H . 25447 1 108 . 1 1 13 13 VAL HA H 1 3.307 . . . . . . A 11 VAL HA . 25447 1 109 . 1 1 13 13 VAL HB H 1 2.212 . . . . . . A 11 VAL HB . 25447 1 110 . 1 1 13 13 VAL HG11 H 1 1.017 . . . . . . A 11 VAL HG# . 25447 1 111 . 1 1 13 13 VAL HG12 H 1 1.017 . . . . . . A 11 VAL HG# . 25447 1 112 . 1 1 13 13 VAL HG13 H 1 1.017 . . . . . . A 11 VAL HG# . 25447 1 113 . 1 1 13 13 VAL HG21 H 1 1.017 . . . . . . A 11 VAL HG# . 25447 1 114 . 1 1 13 13 VAL HG22 H 1 1.017 . . . . . . A 11 VAL HG# . 25447 1 115 . 1 1 13 13 VAL HG23 H 1 1.017 . . . . . . A 11 VAL HG# . 25447 1 116 . 1 1 13 13 VAL CA C 13 66.508 . . . . . . A 11 VAL CA . 25447 1 117 . 1 1 13 13 VAL CB C 13 31.487 . . . . . . A 11 VAL CB . 25447 1 118 . 1 1 13 13 VAL CG1 C 13 22.830 . . . . . . A 11 VAL CG1 . 25447 1 119 . 1 1 13 13 VAL CG2 C 13 22.830 . . . . . . A 11 VAL CG2 . 25447 1 120 . 1 1 13 13 VAL N N 15 117.569 . . . . . . A 11 VAL N . 25447 1 121 . 1 1 14 14 VAL H H 1 8.294 . . . . . . A 12 VAL H . 25447 1 122 . 1 1 14 14 VAL HA H 1 3.741 . . . . . . A 12 VAL HA . 25447 1 123 . 1 1 14 14 VAL HB H 1 2.247 . . . . . . A 12 VAL HB . 25447 1 124 . 1 1 14 14 VAL HG11 H 1 0.955 . . . . . . A 12 VAL HG# . 25447 1 125 . 1 1 14 14 VAL HG12 H 1 0.955 . . . . . . A 12 VAL HG# . 25447 1 126 . 1 1 14 14 VAL HG13 H 1 0.955 . . . . . . A 12 VAL HG# . 25447 1 127 . 1 1 14 14 VAL HG21 H 1 0.955 . . . . . . A 12 VAL HG# . 25447 1 128 . 1 1 14 14 VAL HG22 H 1 0.955 . . . . . . A 12 VAL HG# . 25447 1 129 . 1 1 14 14 VAL HG23 H 1 0.955 . . . . . . A 12 VAL HG# . 25447 1 130 . 1 1 14 14 VAL CA C 13 65.876 . . . . . . A 12 VAL CA . 25447 1 131 . 1 1 14 14 VAL CB C 13 31.312 . . . . . . A 12 VAL CB . 25447 1 132 . 1 1 14 14 VAL CG1 C 13 21.849 . . . . . . A 12 VAL CG1 . 25447 1 133 . 1 1 14 14 VAL CG2 C 13 21.849 . . . . . . A 12 VAL CG2 . 25447 1 134 . 1 1 14 14 VAL N N 15 117.909 . . . . . . A 12 VAL N . 25447 1 135 . 1 1 15 15 GLU H H 1 7.750 . . . . . . A 13 GLU H . 25447 1 136 . 1 1 15 15 GLU HA H 1 3.742 . . . . . . A 13 GLU HA . 25447 1 137 . 1 1 15 15 GLU HB2 H 1 2.017 . . . . . . A 13 GLU HB2 . 25447 1 138 . 1 1 15 15 GLU HB3 H 1 1.786 . . . . . . A 13 GLU HB3 . 25447 1 139 . 1 1 15 15 GLU HG2 H 1 2.423 . . . . . . A 13 GLU HG2 . 25447 1 140 . 1 1 15 15 GLU HG3 H 1 2.202 . . . . . . A 13 GLU HG3 . 25447 1 141 . 1 1 15 15 GLU CA C 13 59.307 . . . . . . A 13 GLU CA . 25447 1 142 . 1 1 15 15 GLU CB C 13 29.489 . . . . . . A 13 GLU CB . 25447 1 143 . 1 1 15 15 GLU CG C 13 36.785 . . . . . . A 13 GLU CG . 25447 1 144 . 1 1 15 15 GLU N N 15 117.918 . . . . . . A 13 GLU N . 25447 1 145 . 1 1 16 16 GLU H H 1 7.603 . . . . . . A 14 GLU H . 25447 1 146 . 1 1 16 16 GLU HA H 1 3.778 . . . . . . A 14 GLU HA . 25447 1 147 . 1 1 16 16 GLU HB2 H 1 0.370 . . . . . . A 14 GLU HB# . 25447 1 148 . 1 1 16 16 GLU HB3 H 1 0.370 . . . . . . A 14 GLU HB# . 25447 1 149 . 1 1 16 16 GLU HG2 H 1 1.283 . . . . . . A 14 GLU HG2 . 25447 1 150 . 1 1 16 16 GLU HG3 H 1 0.937 . . . . . . A 14 GLU HG3 . 25447 1 151 . 1 1 16 16 GLU CA C 13 56.800 . . . . . . A 14 GLU CA . 25447 1 152 . 1 1 16 16 GLU CB C 13 29.643 . . . . . . A 14 GLU CB . 25447 1 153 . 1 1 16 16 GLU CG C 13 35.134 . . . . . . A 14 GLU CG . 25447 1 154 . 1 1 16 16 GLU N N 15 113.478 . . . . . . A 14 GLU N . 25447 1 155 . 1 1 17 17 PHE H H 1 7.908 . . . . . . A 15 PHE H . 25447 1 156 . 1 1 17 17 PHE HA H 1 4.939 . . . . . . A 15 PHE HA . 25447 1 157 . 1 1 17 17 PHE HB2 H 1 3.262 . . . . . . A 15 PHE HB2 . 25447 1 158 . 1 1 17 17 PHE HB3 H 1 2.765 . . . . . . A 15 PHE HB3 . 25447 1 159 . 1 1 17 17 PHE HD1 H 1 7.223 . . . . . . A 15 PHE HD# . 25447 1 160 . 1 1 17 17 PHE HD2 H 1 7.223 . . . . . . A 15 PHE HD# . 25447 1 161 . 1 1 17 17 PHE HE1 H 1 7.101 . . . . . . A 15 PHE HE# . 25447 1 162 . 1 1 17 17 PHE HE2 H 1 7.101 . . . . . . A 15 PHE HE# . 25447 1 163 . 1 1 17 17 PHE HZ H 1 7.285 . . . . . . A 15 PHE HZ . 25447 1 164 . 1 1 17 17 PHE CA C 13 58.095 . . . . . . A 15 PHE CA . 25447 1 165 . 1 1 17 17 PHE CB C 13 42.095 . . . . . . A 15 PHE CB . 25447 1 166 . 1 1 17 17 PHE N N 15 114.193 . . . . . . A 15 PHE N . 25447 1 167 . 1 1 18 18 LEU H H 1 8.015 . . . . . . A 16 LEU H . 25447 1 168 . 1 1 18 18 LEU HA H 1 4.967 . . . . . . A 16 LEU HA . 25447 1 169 . 1 1 18 18 LEU HB2 H 1 1.651 . . . . . . A 16 LEU HB2 . 25447 1 170 . 1 1 18 18 LEU HB3 H 1 1.412 . . . . . . A 16 LEU HB3 . 25447 1 171 . 1 1 18 18 LEU HG H 1 0.905 . . . . . . A 16 LEU HG . 25447 1 172 . 1 1 18 18 LEU HD11 H 1 0.798 . . . . . . A 16 LEU HD# . 25447 1 173 . 1 1 18 18 LEU HD12 H 1 0.798 . . . . . . A 16 LEU HD# . 25447 1 174 . 1 1 18 18 LEU HD13 H 1 0.798 . . . . . . A 16 LEU HD# . 25447 1 175 . 1 1 18 18 LEU HD21 H 1 0.798 . . . . . . A 16 LEU HD# . 25447 1 176 . 1 1 18 18 LEU HD22 H 1 0.798 . . . . . . A 16 LEU HD# . 25447 1 177 . 1 1 18 18 LEU HD23 H 1 0.798 . . . . . . A 16 LEU HD# . 25447 1 178 . 1 1 18 18 LEU CA C 13 52.377 . . . . . . A 16 LEU CA . 25447 1 179 . 1 1 18 18 LEU CB C 13 44.733 . . . . . . A 16 LEU CB . 25447 1 180 . 1 1 18 18 LEU CG C 13 24.091 . . . . . . A 16 LEU CG . 25447 1 181 . 1 1 18 18 LEU CD1 C 13 25.452 . . . . . . A 16 LEU CD1 . 25447 1 182 . 1 1 18 18 LEU CD2 C 13 25.452 . . . . . . A 16 LEU CD2 . 25447 1 183 . 1 1 18 18 LEU N N 15 121.492 . . . . . . A 16 LEU N . 25447 1 184 . 1 1 19 19 PRO HA H 1 4.383 . . . . . . A 17 PRO HA . 25447 1 185 . 1 1 19 19 PRO HB2 H 1 2.182 . . . . . . A 17 PRO HB2 . 25447 1 186 . 1 1 19 19 PRO HB3 H 1 1.855 . . . . . . A 17 PRO HB3 . 25447 1 187 . 1 1 19 19 PRO HG2 H 1 1.836 . . . . . . A 17 PRO HG2 . 25447 1 188 . 1 1 19 19 PRO HG3 H 1 1.793 . . . . . . A 17 PRO HG3 . 25447 1 189 . 1 1 19 19 PRO HD2 H 1 3.546 . . . . . . A 17 PRO HD2 . 25447 1 190 . 1 1 19 19 PRO HD3 H 1 3.226 . . . . . . A 17 PRO HD3 . 25447 1 191 . 1 1 19 19 PRO CA C 13 64.858 . . . . . . A 17 PRO CA . 25447 1 192 . 1 1 19 19 PRO CB C 13 31.829 . . . . . . A 17 PRO CB . 25447 1 193 . 1 1 19 19 PRO CG C 13 27.512 . . . . . . A 17 PRO CG . 25447 1 194 . 1 1 19 19 PRO CD C 13 49.846 . . . . . . A 17 PRO CD . 25447 1 195 . 1 1 20 20 ASP H H 1 8.399 . . . . . . A 18 ASP H . 25447 1 196 . 1 1 20 20 ASP HA H 1 4.568 . . . . . . A 18 ASP HA . 25447 1 197 . 1 1 20 20 ASP HB2 H 1 2.760 . . . . . . A 18 ASP HB2 . 25447 1 198 . 1 1 20 20 ASP HB3 H 1 2.651 . . . . . . A 18 ASP HB3 . 25447 1 199 . 1 1 20 20 ASP CA C 13 54.688 . . . . . . A 18 ASP CA . 25447 1 200 . 1 1 20 20 ASP CB C 13 40.626 . . . . . . A 18 ASP CB . 25447 1 201 . 1 1 20 20 ASP N N 15 116.508 . . . . . . A 18 ASP N . 25447 1 202 . 1 1 21 21 VAL H H 1 7.760 . . . . . . A 19 VAL H . 25447 1 203 . 1 1 21 21 VAL HA H 1 4.118 . . . . . . A 19 VAL HA . 25447 1 204 . 1 1 21 21 VAL HB H 1 2.055 . . . . . . A 19 VAL HB . 25447 1 205 . 1 1 21 21 VAL HG11 H 1 0.847 . . . . . . A 19 VAL HG# . 25447 1 206 . 1 1 21 21 VAL HG12 H 1 0.847 . . . . . . A 19 VAL HG# . 25447 1 207 . 1 1 21 21 VAL HG13 H 1 0.847 . . . . . . A 19 VAL HG# . 25447 1 208 . 1 1 21 21 VAL HG21 H 1 0.847 . . . . . . A 19 VAL HG# . 25447 1 209 . 1 1 21 21 VAL HG22 H 1 0.847 . . . . . . A 19 VAL HG# . 25447 1 210 . 1 1 21 21 VAL HG23 H 1 0.847 . . . . . . A 19 VAL HG# . 25447 1 211 . 1 1 21 21 VAL CA C 13 61.293 . . . . . . A 19 VAL CA . 25447 1 212 . 1 1 21 21 VAL CB C 13 33.582 . . . . . . A 19 VAL CB . 25447 1 213 . 1 1 21 21 VAL CG1 C 13 21.876 . . . . . . A 19 VAL CG1 . 25447 1 214 . 1 1 21 21 VAL CG2 C 13 21.876 . . . . . . A 19 VAL CG2 . 25447 1 215 . 1 1 21 21 VAL N N 15 122.135 . . . . . . A 19 VAL N . 25447 1 216 . 1 1 22 22 ALA H H 1 8.761 . . . . . . A 20 ALA H . 25447 1 217 . 1 1 22 22 ALA HA H 1 4.599 . . . . . . A 20 ALA HA . 25447 1 218 . 1 1 22 22 ALA HB1 H 1 1.396 . . . . . . A 20 ALA HB# . 25447 1 219 . 1 1 22 22 ALA HB2 H 1 1.396 . . . . . . A 20 ALA HB# . 25447 1 220 . 1 1 22 22 ALA HB3 H 1 1.396 . . . . . . A 20 ALA HB# . 25447 1 221 . 1 1 22 22 ALA CA C 13 50.270 . . . . . . A 20 ALA CA . 25447 1 222 . 1 1 22 22 ALA CB C 13 17.428 . . . . . . A 20 ALA CB . 25447 1 223 . 1 1 22 22 ALA N N 15 129.301 . . . . . . A 20 ALA N . 25447 1 224 . 1 1 23 23 PRO HA H 1 4.077 . . . . . . A 21 PRO HA . 25447 1 225 . 1 1 23 23 PRO HB2 H 1 2.043 . . . . . . A 21 PRO HB# . 25447 1 226 . 1 1 23 23 PRO HB3 H 1 2.043 . . . . . . A 21 PRO HB# . 25447 1 227 . 1 1 23 23 PRO HG2 H 1 2.256 . . . . . . A 21 PRO HG2 . 25447 1 228 . 1 1 23 23 PRO HG3 H 1 1.734 . . . . . . A 21 PRO HG3 . 25447 1 229 . 1 1 23 23 PRO HD2 H 1 3.899 . . . . . . A 21 PRO HD# . 25447 1 230 . 1 1 23 23 PRO HD3 H 1 3.899 . . . . . . A 21 PRO HD# . 25447 1 231 . 1 1 23 23 PRO CA C 13 66.203 . . . . . . A 21 PRO CA . 25447 1 232 . 1 1 23 23 PRO CB C 13 31.408 . . . . . . A 21 PRO CB . 25447 1 233 . 1 1 23 23 PRO CG C 13 27.685 . . . . . . A 21 PRO CG . 25447 1 234 . 1 1 23 23 PRO CD C 13 50.125 . . . . . . A 21 PRO CD . 25447 1 235 . 1 1 24 24 ALA H H 1 8.064 . . . . . . A 22 ALA H . 25447 1 236 . 1 1 24 24 ALA HA H 1 4.117 . . . . . . A 22 ALA HA . 25447 1 237 . 1 1 24 24 ALA HB1 H 1 1.363 . . . . . . A 22 ALA HB# . 25447 1 238 . 1 1 24 24 ALA HB2 H 1 1.363 . . . . . . A 22 ALA HB# . 25447 1 239 . 1 1 24 24 ALA HB3 H 1 1.363 . . . . . . A 22 ALA HB# . 25447 1 240 . 1 1 24 24 ALA CA C 13 53.996 . . . . . . A 22 ALA CA . 25447 1 241 . 1 1 24 24 ALA CB C 13 18.844 . . . . . . A 22 ALA CB . 25447 1 242 . 1 1 24 24 ALA N N 15 116.106 . . . . . . A 22 ALA N . 25447 1 243 . 1 1 25 25 ASP H H 1 8.003 . . . . . . A 23 ASP H . 25447 1 244 . 1 1 25 25 ASP HA H 1 4.677 . . . . . . A 23 ASP HA . 25447 1 245 . 1 1 25 25 ASP HB2 H 1 2.848 . . . . . . A 23 ASP HB2 . 25447 1 246 . 1 1 25 25 ASP HB3 H 1 2.778 . . . . . . A 23 ASP HB3 . 25447 1 247 . 1 1 25 25 ASP CA C 13 54.336 . . . . . . A 23 ASP CA . 25447 1 248 . 1 1 25 25 ASP CB C 13 41.353 . . . . . . A 23 ASP CB . 25447 1 249 . 1 1 25 25 ASP N N 15 115.541 . . . . . . A 23 ASP N . 25447 1 250 . 1 1 26 26 VAL H H 1 7.069 . . . . . . A 24 VAL H . 25447 1 251 . 1 1 26 26 VAL HA H 1 3.821 . . . . . . A 24 VAL HA . 25447 1 252 . 1 1 26 26 VAL HB H 1 1.962 . . . . . . A 24 VAL HB . 25447 1 253 . 1 1 26 26 VAL HG11 H 1 0.834 . . . . . . A 24 VAL HG# . 25447 1 254 . 1 1 26 26 VAL HG12 H 1 0.834 . . . . . . A 24 VAL HG# . 25447 1 255 . 1 1 26 26 VAL HG13 H 1 0.834 . . . . . . A 24 VAL HG# . 25447 1 256 . 1 1 26 26 VAL HG21 H 1 0.834 . . . . . . A 24 VAL HG# . 25447 1 257 . 1 1 26 26 VAL HG22 H 1 0.834 . . . . . . A 24 VAL HG# . 25447 1 258 . 1 1 26 26 VAL HG23 H 1 0.834 . . . . . . A 24 VAL HG# . 25447 1 259 . 1 1 26 26 VAL CA C 13 62.345 . . . . . . A 24 VAL CA . 25447 1 260 . 1 1 26 26 VAL CB C 13 31.733 . . . . . . A 24 VAL CB . 25447 1 261 . 1 1 26 26 VAL CG1 C 13 21.769 . . . . . . A 24 VAL CG1 . 25447 1 262 . 1 1 26 26 VAL CG2 C 13 21.769 . . . . . . A 24 VAL CG2 . 25447 1 263 . 1 1 26 26 VAL N N 15 121.517 . . . . . . A 24 VAL N . 25447 1 264 . 1 1 27 27 ASP H H 1 8.474 . . . . . . A 25 ASP H . 25447 1 265 . 1 1 27 27 ASP HA H 1 4.574 . . . . . . A 25 ASP HA . 25447 1 266 . 1 1 27 27 ASP HB2 H 1 2.746 . . . . . . A 25 ASP HB# . 25447 1 267 . 1 1 27 27 ASP HB3 H 1 2.746 . . . . . . A 25 ASP HB# . 25447 1 268 . 1 1 27 27 ASP CA C 13 54.566 . . . . . . A 25 ASP CA . 25447 1 269 . 1 1 27 27 ASP CB C 13 42.333 . . . . . . A 25 ASP CB . 25447 1 270 . 1 1 27 27 ASP N N 15 129.329 . . . . . . A 25 ASP N . 25447 1 271 . 1 1 28 28 VAL H H 1 8.591 . . . . . . A 26 VAL H . 25447 1 272 . 1 1 28 28 VAL HA H 1 4.108 . . . . . . A 26 VAL HA . 25447 1 273 . 1 1 28 28 VAL HB H 1 2.199 . . . . . . A 26 VAL HB . 25447 1 274 . 1 1 28 28 VAL HG11 H 1 0.938 . . . . . . A 26 VAL HG1# . 25447 1 275 . 1 1 28 28 VAL HG12 H 1 0.938 . . . . . . A 26 VAL HG1# . 25447 1 276 . 1 1 28 28 VAL HG13 H 1 0.938 . . . . . . A 26 VAL HG1# . 25447 1 277 . 1 1 28 28 VAL HG21 H 1 1.072 . . . . . . A 26 VAL HG2# . 25447 1 278 . 1 1 28 28 VAL HG22 H 1 1.072 . . . . . . A 26 VAL HG2# . 25447 1 279 . 1 1 28 28 VAL HG23 H 1 1.072 . . . . . . A 26 VAL HG2# . 25447 1 280 . 1 1 28 28 VAL CA C 13 64.518 . . . . . . A 26 VAL CA . 25447 1 281 . 1 1 28 28 VAL CB C 13 31.198 . . . . . . A 26 VAL CB . 25447 1 282 . 1 1 28 28 VAL CG1 C 13 21.330 . . . . . . A 26 VAL CG1 . 25447 1 283 . 1 1 28 28 VAL CG2 C 13 21.330 . . . . . . A 26 VAL CG2 . 25447 1 284 . 1 1 28 28 VAL N N 15 121.920 . . . . . . A 26 VAL N . 25447 1 285 . 1 1 29 29 ASP H H 1 8.609 . . . . . . A 27 ASP H . 25447 1 286 . 1 1 29 29 ASP HA H 1 5.145 . . . . . . A 27 ASP HA . 25447 1 287 . 1 1 29 29 ASP HB2 H 1 2.909 . . . . . . A 27 ASP HB2 . 25447 1 288 . 1 1 29 29 ASP HB3 H 1 2.445 . . . . . . A 27 ASP HB3 . 25447 1 289 . 1 1 29 29 ASP CA C 13 54.181 . . . . . . A 27 ASP CA . 25447 1 290 . 1 1 29 29 ASP CB C 13 42.575 . . . . . . A 27 ASP CB . 25447 1 291 . 1 1 29 29 ASP N N 15 116.286 . . . . . . A 27 ASP N . 25447 1 292 . 1 1 30 30 LEU H H 1 7.374 . . . . . . A 28 LEU H . 25447 1 293 . 1 1 30 30 LEU HA H 1 4.011 . . . . . . A 28 LEU HA . 25447 1 294 . 1 1 30 30 LEU HB2 H 1 1.883 . . . . . . A 28 LEU HB2 . 25447 1 295 . 1 1 30 30 LEU HB3 H 1 1.565 . . . . . . A 28 LEU HB3 . 25447 1 296 . 1 1 30 30 LEU HG H 1 1.290 . . . . . . A 28 LEU HG . 25447 1 297 . 1 1 30 30 LEU HD11 H 1 0.859 . . . . . . A 28 LEU HD1# . 25447 1 298 . 1 1 30 30 LEU HD12 H 1 0.859 . . . . . . A 28 LEU HD1# . 25447 1 299 . 1 1 30 30 LEU HD13 H 1 0.859 . . . . . . A 28 LEU HD1# . 25447 1 300 . 1 1 30 30 LEU HD21 H 1 0.929 . . . . . . A 28 LEU HD2# . 25447 1 301 . 1 1 30 30 LEU HD22 H 1 0.929 . . . . . . A 28 LEU HD2# . 25447 1 302 . 1 1 30 30 LEU HD23 H 1 0.929 . . . . . . A 28 LEU HD2# . 25447 1 303 . 1 1 30 30 LEU CA C 13 56.087 . . . . . . A 28 LEU CA . 25447 1 304 . 1 1 30 30 LEU CB C 13 43.321 . . . . . . A 28 LEU CB . 25447 1 305 . 1 1 30 30 LEU CG C 13 26.902 . . . . . . A 28 LEU CG . 25447 1 306 . 1 1 30 30 LEU CD1 C 13 25.984 . . . . . . A 28 LEU CD1 . 25447 1 307 . 1 1 30 30 LEU CD2 C 13 25.984 . . . . . . A 28 LEU CD2 . 25447 1 308 . 1 1 30 30 LEU N N 15 125.116 . . . . . . A 28 LEU N . 25447 1 309 . 1 1 31 31 ASP H H 1 8.699 . . . . . . A 29 ASP H . 25447 1 310 . 1 1 31 31 ASP HA H 1 4.834 . . . . . . A 29 ASP HA . 25447 1 311 . 1 1 31 31 ASP HB2 H 1 2.949 . . . . . . A 29 ASP HB2 . 25447 1 312 . 1 1 31 31 ASP HB3 H 1 2.462 . . . . . . A 29 ASP HB3 . 25447 1 313 . 1 1 31 31 ASP CA C 13 53.920 . . . . . . A 29 ASP CA . 25447 1 314 . 1 1 31 31 ASP CB C 13 41.379 . . . . . . A 29 ASP CB . 25447 1 315 . 1 1 31 31 ASP N N 15 125.924 . . . . . . A 29 ASP N . 25447 1 316 . 1 1 32 32 LEU H H 1 9.718 . . . . . . A 30 LEU H . 25447 1 317 . 1 1 32 32 LEU HA H 1 3.917 . . . . . . A 30 LEU HA . 25447 1 318 . 1 1 32 32 LEU HB2 H 1 1.668 . . . . . . A 30 LEU HB2 . 25447 1 319 . 1 1 32 32 LEU HB3 H 1 1.237 . . . . . . A 30 LEU HB3 . 25447 1 320 . 1 1 32 32 LEU HG H 1 2.097 . . . . . . A 30 LEU HG . 25447 1 321 . 1 1 32 32 LEU HD11 H 1 0.724 . . . . . . A 30 LEU HD1# . 25447 1 322 . 1 1 32 32 LEU HD12 H 1 0.724 . . . . . . A 30 LEU HD1# . 25447 1 323 . 1 1 32 32 LEU HD13 H 1 0.724 . . . . . . A 30 LEU HD1# . 25447 1 324 . 1 1 32 32 LEU HD21 H 1 0.768 . . . . . . A 30 LEU HD2# . 25447 1 325 . 1 1 32 32 LEU HD22 H 1 0.768 . . . . . . A 30 LEU HD2# . 25447 1 326 . 1 1 32 32 LEU HD23 H 1 0.768 . . . . . . A 30 LEU HD2# . 25447 1 327 . 1 1 32 32 LEU CA C 13 56.388 . . . . . . A 30 LEU CA . 25447 1 328 . 1 1 32 32 LEU CB C 13 42.239 . . . . . . A 30 LEU CB . 25447 1 329 . 1 1 32 32 LEU CG C 13 26.701 . . . . . . A 30 LEU CG . 25447 1 330 . 1 1 32 32 LEU CD1 C 13 25.231 . . . . . . A 30 LEU CD1 . 25447 1 331 . 1 1 32 32 LEU CD2 C 13 25.231 . . . . . . A 30 LEU CD2 . 25447 1 332 . 1 1 32 32 LEU N N 15 129.975 . . . . . . A 30 LEU N . 25447 1 333 . 1 1 33 33 VAL H H 1 8.163 . . . . . . A 31 VAL H . 25447 1 334 . 1 1 33 33 VAL HA H 1 4.193 . . . . . . A 31 VAL HA . 25447 1 335 . 1 1 33 33 VAL HB H 1 2.192 . . . . . . A 31 VAL HB . 25447 1 336 . 1 1 33 33 VAL HG11 H 1 0.916 . . . . . . A 31 VAL HG# . 25447 1 337 . 1 1 33 33 VAL HG12 H 1 0.916 . . . . . . A 31 VAL HG# . 25447 1 338 . 1 1 33 33 VAL HG13 H 1 0.916 . . . . . . A 31 VAL HG# . 25447 1 339 . 1 1 33 33 VAL HG21 H 1 0.916 . . . . . . A 31 VAL HG# . 25447 1 340 . 1 1 33 33 VAL HG22 H 1 0.916 . . . . . . A 31 VAL HG# . 25447 1 341 . 1 1 33 33 VAL HG23 H 1 0.916 . . . . . . A 31 VAL HG# . 25447 1 342 . 1 1 33 33 VAL CA C 13 64.433 . . . . . . A 31 VAL CA . 25447 1 343 . 1 1 33 33 VAL CB C 13 32.175 . . . . . . A 31 VAL CB . 25447 1 344 . 1 1 33 33 VAL CG1 C 13 21.669 . . . . . . A 31 VAL CG1 . 25447 1 345 . 1 1 33 33 VAL CG2 C 13 21.669 . . . . . . A 31 VAL CG2 . 25447 1 346 . 1 1 33 33 VAL N N 15 121.212 . . . . . . A 31 VAL N . 25447 1 347 . 1 1 34 34 ASP H H 1 9.385 . . . . . . A 32 ASP H . 25447 1 348 . 1 1 34 34 ASP HA H 1 4.358 . . . . . . A 32 ASP HA . 25447 1 349 . 1 1 34 34 ASP HB2 H 1 2.533 . . . . . . A 32 ASP HB2 . 25447 1 350 . 1 1 34 34 ASP HB3 H 1 2.943 . . . . . . A 32 ASP HB3 . 25447 1 351 . 1 1 34 34 ASP CA C 13 57.225 . . . . . . A 32 ASP CA . 25447 1 352 . 1 1 34 34 ASP CB C 13 40.735 . . . . . . A 32 ASP CB . 25447 1 353 . 1 1 34 34 ASP N N 15 124.893 . . . . . . A 32 ASP N . 25447 1 354 . 1 1 35 35 ASN H H 1 7.396 . . . . . . A 33 ASN H . 25447 1 355 . 1 1 35 35 ASN HA H 1 4.720 . . . . . . A 33 ASN HA . 25447 1 356 . 1 1 35 35 ASN HB2 H 1 2.877 . . . . . . A 33 ASN HB2 . 25447 1 357 . 1 1 35 35 ASN HB3 H 1 2.750 . . . . . . A 33 ASN HB3 . 25447 1 358 . 1 1 35 35 ASN HD21 H 1 6.845 . . . . . . A 33 ASN HD21 . 25447 1 359 . 1 1 35 35 ASN HD22 H 1 8.169 . . . . . . A 33 ASN HD22 . 25447 1 360 . 1 1 35 35 ASN CA C 13 53.886 . . . . . . A 33 ASN CA . 25447 1 361 . 1 1 35 35 ASN CB C 13 39.006 . . . . . . A 33 ASN CB . 25447 1 362 . 1 1 35 35 ASN N N 15 111.484 . . . . . . A 33 ASN N . 25447 1 363 . 1 1 35 35 ASN ND2 N 15 113.931 . . . . . . A 33 ASN ND2 . 25447 1 364 . 1 1 36 36 GLY H H 1 7.618 . . . . . . A 34 GLY H . 25447 1 365 . 1 1 36 36 GLY HA2 H 1 3.980 . . . . . . A 34 GLY HA2 . 25447 1 366 . 1 1 36 36 GLY HA3 H 1 3.822 . . . . . . A 34 GLY HA3 . 25447 1 367 . 1 1 36 36 GLY CA C 13 46.607 . . . . . . A 34 GLY CA . 25447 1 368 . 1 1 36 36 GLY N N 15 106.957 . . . . . . A 34 GLY N . 25447 1 369 . 1 1 37 37 VAL H H 1 7.792 . . . . . . A 35 VAL H . 25447 1 370 . 1 1 37 37 VAL HA H 1 3.766 . . . . . . A 35 VAL HA . 25447 1 371 . 1 1 37 37 VAL HB H 1 2.185 . . . . . . A 35 VAL HB . 25447 1 372 . 1 1 37 37 VAL HG11 H 1 0.780 . . . . . . A 35 VAL HG1# . 25447 1 373 . 1 1 37 37 VAL HG12 H 1 0.780 . . . . . . A 35 VAL HG1# . 25447 1 374 . 1 1 37 37 VAL HG13 H 1 0.780 . . . . . . A 35 VAL HG1# . 25447 1 375 . 1 1 37 37 VAL HG21 H 1 0.912 . . . . . . A 35 VAL HG2# . 25447 1 376 . 1 1 37 37 VAL HG22 H 1 0.912 . . . . . . A 35 VAL HG2# . 25447 1 377 . 1 1 37 37 VAL HG23 H 1 0.912 . . . . . . A 35 VAL HG2# . 25447 1 378 . 1 1 37 37 VAL CA C 13 65.125 . . . . . . A 35 VAL CA . 25447 1 379 . 1 1 37 37 VAL CB C 13 31.879 . . . . . . A 35 VAL CB . 25447 1 380 . 1 1 37 37 VAL CG1 C 13 21.874 . . . . . . A 35 VAL CG1 . 25447 1 381 . 1 1 37 37 VAL CG2 C 13 21.874 . . . . . . A 35 VAL CG2 . 25447 1 382 . 1 1 37 37 VAL N N 15 120.424 . . . . . . A 35 VAL N . 25447 1 383 . 1 1 38 38 ILE H H 1 7.331 . . . . . . A 36 ILE H . 25447 1 384 . 1 1 38 38 ILE HA H 1 3.737 . . . . . . A 36 ILE HA . 25447 1 385 . 1 1 38 38 ILE HB H 1 1.209 . . . . . . A 36 ILE HB . 25447 1 386 . 1 1 38 38 ILE HG12 H 1 0.839 . . . . . . A 36 ILE HG12 . 25447 1 387 . 1 1 38 38 ILE HG13 H 1 -0.260 . . . . . . A 36 ILE HG13 . 25447 1 388 . 1 1 38 38 ILE HG21 H 1 0.435 . . . . . . A 36 ILE HG2# . 25447 1 389 . 1 1 38 38 ILE HG22 H 1 0.435 . . . . . . A 36 ILE HG2# . 25447 1 390 . 1 1 38 38 ILE HG23 H 1 0.435 . . . . . . A 36 ILE HG2# . 25447 1 391 . 1 1 38 38 ILE HD11 H 1 0.422 . . . . . . A 36 ILE HD1# . 25447 1 392 . 1 1 38 38 ILE HD12 H 1 0.422 . . . . . . A 36 ILE HD1# . 25447 1 393 . 1 1 38 38 ILE HD13 H 1 0.422 . . . . . . A 36 ILE HD1# . 25447 1 394 . 1 1 38 38 ILE CA C 13 60.685 . . . . . . A 36 ILE CA . 25447 1 395 . 1 1 38 38 ILE CB C 13 38.807 . . . . . . A 36 ILE CB . 25447 1 396 . 1 1 38 38 ILE CG1 C 13 26.280 . . . . . . A 36 ILE CG1 . 25447 1 397 . 1 1 38 38 ILE CG2 C 13 16.753 . . . . . . A 36 ILE CG2 . 25447 1 398 . 1 1 38 38 ILE CD1 C 13 12.898 . . . . . . A 36 ILE CD1 . 25447 1 399 . 1 1 38 38 ILE N N 15 116.364 . . . . . . A 36 ILE N . 25447 1 400 . 1 1 39 39 ASP H H 1 7.874 . . . . . . A 37 ASP H . 25447 1 401 . 1 1 39 39 ASP HA H 1 4.664 . . . . . . A 37 ASP HA . 25447 1 402 . 1 1 39 39 ASP HB2 H 1 3.218 . . . . . . A 37 ASP HB2 . 25447 1 403 . 1 1 39 39 ASP HB3 H 1 2.700 . . . . . . A 37 ASP HB3 . 25447 1 404 . 1 1 39 39 ASP CA C 13 51.616 . . . . . . A 37 ASP CA . 25447 1 405 . 1 1 39 39 ASP CB C 13 41.209 . . . . . . A 37 ASP CB . 25447 1 406 . 1 1 39 39 ASP N N 15 127.306 . . . . . . A 37 ASP N . 25447 1 407 . 1 1 40 40 ALA H H 1 8.244 . . . . . . A 38 ALA H . 25447 1 408 . 1 1 40 40 ALA HA H 1 3.995 . . . . . . A 38 ALA HA . 25447 1 409 . 1 1 40 40 ALA HB1 H 1 1.453 . . . . . . A 38 ALA HB# . 25447 1 410 . 1 1 40 40 ALA HB2 H 1 1.453 . . . . . . A 38 ALA HB# . 25447 1 411 . 1 1 40 40 ALA HB3 H 1 1.453 . . . . . . A 38 ALA HB# . 25447 1 412 . 1 1 40 40 ALA CA C 13 56.292 . . . . . . A 38 ALA CA . 25447 1 413 . 1 1 40 40 ALA CB C 13 18.312 . . . . . . A 38 ALA CB . 25447 1 414 . 1 1 40 40 ALA N N 15 120.352 . . . . . . A 38 ALA N . 25447 1 415 . 1 1 41 41 LEU H H 1 7.688 . . . . . . A 39 LEU H . 25447 1 416 . 1 1 41 41 LEU HA H 1 4.250 . . . . . . A 39 LEU HA . 25447 1 417 . 1 1 41 41 LEU HB2 H 1 1.899 . . . . . . A 39 LEU HB2 . 25447 1 418 . 1 1 41 41 LEU HB3 H 1 1.625 . . . . . . A 39 LEU HB3 . 25447 1 419 . 1 1 41 41 LEU HG H 1 1.624 . . . . . . A 39 LEU HG . 25447 1 420 . 1 1 41 41 LEU HD11 H 1 0.933 . . . . . . A 39 LEU HD1# . 25447 1 421 . 1 1 41 41 LEU HD12 H 1 0.933 . . . . . . A 39 LEU HD1# . 25447 1 422 . 1 1 41 41 LEU HD13 H 1 0.933 . . . . . . A 39 LEU HD1# . 25447 1 423 . 1 1 41 41 LEU HD21 H 1 0.993 . . . . . . A 39 LEU HD2# . 25447 1 424 . 1 1 41 41 LEU HD22 H 1 0.993 . . . . . . A 39 LEU HD2# . 25447 1 425 . 1 1 41 41 LEU HD23 H 1 0.993 . . . . . . A 39 LEU HD2# . 25447 1 426 . 1 1 41 41 LEU CA C 13 57.355 . . . . . . A 39 LEU CA . 25447 1 427 . 1 1 41 41 LEU CB C 13 41.236 . . . . . . A 39 LEU CB . 25447 1 428 . 1 1 41 41 LEU CG C 13 26.947 . . . . . . A 39 LEU CG . 25447 1 429 . 1 1 41 41 LEU CD1 C 13 24.358 . . . . . . A 39 LEU CD1 . 25447 1 430 . 1 1 41 41 LEU CD2 C 13 24.358 . . . . . . A 39 LEU CD2 . 25447 1 431 . 1 1 41 41 LEU N N 15 117.438 . . . . . . A 39 LEU N . 25447 1 432 . 1 1 42 42 GLY H H 1 8.732 . . . . . . A 40 GLY H . 25447 1 433 . 1 1 42 42 GLY HA2 H 1 4.104 . . . . . . A 40 GLY HA2 . 25447 1 434 . 1 1 42 42 GLY HA3 H 1 3.984 . . . . . . A 40 GLY HA3 . 25447 1 435 . 1 1 42 42 GLY CA C 13 48.099 . . . . . . A 40 GLY CA . 25447 1 436 . 1 1 42 42 GLY N N 15 112.015 . . . . . . A 40 GLY N . 25447 1 437 . 1 1 43 43 LEU H H 1 8.548 . . . . . . A 41 LEU H . 25447 1 438 . 1 1 43 43 LEU HA H 1 3.851 . . . . . . A 41 LEU HA . 25447 1 439 . 1 1 43 43 LEU HB2 H 1 1.601 . . . . . . A 41 LEU HB2 . 25447 1 440 . 1 1 43 43 LEU HB3 H 1 1.628 . . . . . . A 41 LEU HB3 . 25447 1 441 . 1 1 43 43 LEU HD21 H 1 0.749 . . . . . . A 41 LEU HD2 . 25447 1 442 . 1 1 43 43 LEU HD22 H 1 0.749 . . . . . . A 41 LEU HD2 . 25447 1 443 . 1 1 43 43 LEU HD23 H 1 0.749 . . . . . . A 41 LEU HD2 . 25447 1 444 . 1 1 43 43 LEU CA C 13 58.332 . . . . . . A 41 LEU CA . 25447 1 445 . 1 1 43 43 LEU CB C 13 41.639 . . . . . . A 41 LEU CB . 25447 1 446 . 1 1 43 43 LEU CG C 13 26.820 . . . . . . A 41 LEU CG . 25447 1 447 . 1 1 43 43 LEU CD1 C 13 24.358 . . . . . . A 41 LEU CD1 . 25447 1 448 . 1 1 43 43 LEU CD2 C 13 24.358 . . . . . . A 41 LEU CD2 . 25447 1 449 . 1 1 43 43 LEU N N 15 122.983 . . . . . . A 41 LEU N . 25447 1 450 . 1 1 44 44 LEU H H 1 7.168 . . . . . . A 42 LEU H . 25447 1 451 . 1 1 44 44 LEU HA H 1 4.028 . . . . . . A 42 LEU HA . 25447 1 452 . 1 1 44 44 LEU HB2 H 1 2.078 . . . . . . A 42 LEU HB2 . 25447 1 453 . 1 1 44 44 LEU HB3 H 1 1.568 . . . . . . A 42 LEU HB3 . 25447 1 454 . 1 1 44 44 LEU HG H 1 1.953 . . . . . . A 42 LEU HG . 25447 1 455 . 1 1 44 44 LEU HD11 H 1 0.878 . . . . . . A 42 LEU HD1# . 25447 1 456 . 1 1 44 44 LEU HD12 H 1 0.878 . . . . . . A 42 LEU HD1# . 25447 1 457 . 1 1 44 44 LEU HD13 H 1 0.878 . . . . . . A 42 LEU HD1# . 25447 1 458 . 1 1 44 44 LEU HD21 H 1 0.981 . . . . . . A 42 LEU HD2# . 25447 1 459 . 1 1 44 44 LEU HD22 H 1 0.981 . . . . . . A 42 LEU HD2# . 25447 1 460 . 1 1 44 44 LEU HD23 H 1 0.981 . . . . . . A 42 LEU HD2# . 25447 1 461 . 1 1 44 44 LEU CA C 13 58.064 . . . . . . A 42 LEU CA . 25447 1 462 . 1 1 44 44 LEU CB C 13 40.940 . . . . . . A 42 LEU CB . 25447 1 463 . 1 1 44 44 LEU CG C 13 26.878 . . . . . . A 42 LEU CG . 25447 1 464 . 1 1 44 44 LEU CD1 C 13 25.586 . . . . . . A 42 LEU CD1 . 25447 1 465 . 1 1 44 44 LEU CD2 C 13 25.586 . . . . . . A 42 LEU CD2 . 25447 1 466 . 1 1 44 44 LEU N N 15 116.076 . . . . . . A 42 LEU N . 25447 1 467 . 1 1 45 45 LYS H H 1 7.640 . . . . . . A 43 LYS H . 25447 1 468 . 1 1 45 45 LYS HA H 1 4.284 . . . . . . A 43 LYS HA . 25447 1 469 . 1 1 45 45 LYS HB2 H 1 2.420 . . . . . . A 43 LYS HB2 . 25447 1 470 . 1 1 45 45 LYS HG2 H 1 1.804 . . . . . . A 43 LYS HG2 . 25447 1 471 . 1 1 45 45 LYS HG3 H 1 1.570 . . . . . . A 43 LYS HG3 . 25447 1 472 . 1 1 45 45 LYS HD2 H 1 1.691 . . . . . . A 43 LYS HD# . 25447 1 473 . 1 1 45 45 LYS HD3 H 1 1.691 . . . . . . A 43 LYS HD# . 25447 1 474 . 1 1 45 45 LYS HE2 H 1 2.911 . . . . . . A 43 LYS HE# . 25447 1 475 . 1 1 45 45 LYS HE3 H 1 2.911 . . . . . . A 43 LYS HE# . 25447 1 476 . 1 1 45 45 LYS HZ1 H 1 7.228 . . . . . . A 43 LYS HZ . 25447 1 477 . 1 1 45 45 LYS HZ2 H 1 7.228 . . . . . . A 43 LYS HZ . 25447 1 478 . 1 1 45 45 LYS HZ3 H 1 7.228 . . . . . . A 43 LYS HZ . 25447 1 479 . 1 1 45 45 LYS CA C 13 59.644 . . . . . . A 43 LYS CA . 25447 1 480 . 1 1 45 45 LYS CB C 13 32.527 . . . . . . A 43 LYS CB . 25447 1 481 . 1 1 45 45 LYS CG C 13 25.477 . . . . . . A 43 LYS CG . 25447 1 482 . 1 1 45 45 LYS CD C 13 29.531 . . . . . . A 43 LYS CD . 25447 1 483 . 1 1 45 45 LYS CE C 13 41.899 . . . . . . A 43 LYS CE . 25447 1 484 . 1 1 45 45 LYS N N 15 119.831 . . . . . . A 43 LYS N . 25447 1 485 . 1 1 46 46 VAL H H 1 8.269 . . . . . . A 44 VAL H . 25447 1 486 . 1 1 46 46 VAL HA H 1 3.949 . . . . . . A 44 VAL HA . 25447 1 487 . 1 1 46 46 VAL HB H 1 2.375 . . . . . . A 44 VAL HB . 25447 1 488 . 1 1 46 46 VAL HG11 H 1 0.915 . . . . . . A 44 VAL HG1# . 25447 1 489 . 1 1 46 46 VAL HG12 H 1 0.915 . . . . . . A 44 VAL HG1# . 25447 1 490 . 1 1 46 46 VAL HG13 H 1 0.915 . . . . . . A 44 VAL HG1# . 25447 1 491 . 1 1 46 46 VAL HG21 H 1 1.311 . . . . . . A 44 VAL HG2# . 25447 1 492 . 1 1 46 46 VAL HG22 H 1 1.311 . . . . . . A 44 VAL HG2# . 25447 1 493 . 1 1 46 46 VAL HG23 H 1 1.311 . . . . . . A 44 VAL HG2# . 25447 1 494 . 1 1 46 46 VAL CB C 13 31.643 . . . . . . A 44 VAL CB . 25447 1 495 . 1 1 46 46 VAL CG1 C 13 20.920 . . . . . . A 44 VAL CG1 . 25447 1 496 . 1 1 46 46 VAL CG2 C 13 22.747 . . . . . . A 44 VAL CG2 . 25447 1 497 . 1 1 46 46 VAL N N 15 121.046 . . . . . . A 44 VAL N . 25447 1 498 . 1 1 47 47 ILE H H 1 8.145 . . . . . . A 45 ILE H . 25447 1 499 . 1 1 47 47 ILE HA H 1 3.404 . . . . . . A 45 ILE HA . 25447 1 500 . 1 1 47 47 ILE HB H 1 1.736 . . . . . . A 45 ILE HB . 25447 1 501 . 1 1 47 47 ILE HG12 H 1 1.361 . . . . . . A 45 ILE HG12 . 25447 1 502 . 1 1 47 47 ILE HG13 H 1 0.642 . . . . . . A 45 ILE HG13 . 25447 1 503 . 1 1 47 47 ILE HG21 H 1 0.853 . . . . . . A 45 ILE HG2# . 25447 1 504 . 1 1 47 47 ILE HG22 H 1 0.853 . . . . . . A 45 ILE HG2# . 25447 1 505 . 1 1 47 47 ILE HG23 H 1 0.853 . . . . . . A 45 ILE HG2# . 25447 1 506 . 1 1 47 47 ILE HD11 H 1 0.599 . . . . . . A 45 ILE HD1# . 25447 1 507 . 1 1 47 47 ILE HD12 H 1 0.599 . . . . . . A 45 ILE HD1# . 25447 1 508 . 1 1 47 47 ILE HD13 H 1 0.599 . . . . . . A 45 ILE HD1# . 25447 1 509 . 1 1 47 47 ILE CA C 13 66.148 . . . . . . A 45 ILE CA . 25447 1 510 . 1 1 47 47 ILE CB C 13 38.277 . . . . . . A 45 ILE CB . 25447 1 511 . 1 1 47 47 ILE CG1 C 13 29.626 . . . . . . A 45 ILE CG1 . 25447 1 512 . 1 1 47 47 ILE CG2 C 13 17.385 . . . . . . A 45 ILE CG2 . 25447 1 513 . 1 1 47 47 ILE CD1 C 13 13.416 . . . . . . A 45 ILE CD1 . 25447 1 514 . 1 1 47 47 ILE N N 15 119.333 . . . . . . A 45 ILE N . 25447 1 515 . 1 1 48 48 ALA H H 1 7.792 . . . . . . A 46 ALA H . 25447 1 516 . 1 1 48 48 ALA HA H 1 4.257 . . . . . . A 46 ALA HA . 25447 1 517 . 1 1 48 48 ALA HB1 H 1 1.563 . . . . . . A 46 ALA HB# . 25447 1 518 . 1 1 48 48 ALA HB2 H 1 1.563 . . . . . . A 46 ALA HB# . 25447 1 519 . 1 1 48 48 ALA HB3 H 1 1.563 . . . . . . A 46 ALA HB# . 25447 1 520 . 1 1 48 48 ALA CA C 13 55.164 . . . . . . A 46 ALA CA . 25447 1 521 . 1 1 48 48 ALA CB C 13 18.368 . . . . . . A 46 ALA CB . 25447 1 522 . 1 1 48 48 ALA N N 15 121.213 . . . . . . A 46 ALA N . 25447 1 523 . 1 1 49 49 TRP H H 1 8.093 . . . . . . A 47 TRP H . 25447 1 524 . 1 1 49 49 TRP HA H 1 4.234 . . . . . . A 47 TRP HA . 25447 1 525 . 1 1 49 49 TRP HB2 H 1 3.045 . . . . . . A 47 TRP HB2 . 25447 1 526 . 1 1 49 49 TRP HB3 H 1 2.970 . . . . . . A 47 TRP HB3 . 25447 1 527 . 1 1 49 49 TRP HD1 H 1 7.314 . . . . . . A 47 TRP HD1 . 25447 1 528 . 1 1 49 49 TRP HE1 H 1 9.933 . . . . . . A 47 TRP HE1 . 25447 1 529 . 1 1 49 49 TRP HE3 H 1 7.105 . . . . . . A 47 TRP HE3 . 25447 1 530 . 1 1 49 49 TRP HZ2 H 1 7.231 . . . . . . A 47 TRP HZ2 . 25447 1 531 . 1 1 49 49 TRP HZ3 H 1 6.479 . . . . . . A 47 TRP HZ3 . 25447 1 532 . 1 1 49 49 TRP HH2 H 1 6.714 . . . . . . A 47 TRP HH2 . 25447 1 533 . 1 1 49 49 TRP CA C 13 61.670 . . . . . . A 47 TRP CA . 25447 1 534 . 1 1 49 49 TRP CB C 13 28.239 . . . . . . A 47 TRP CB . 25447 1 535 . 1 1 49 49 TRP N N 15 121.416 . . . . . . A 47 TRP N . 25447 1 536 . 1 1 49 49 TRP NE1 N 15 128.571 . . . . . . A 47 TRP NE1 . 25447 1 537 . 1 1 50 50 LEU H H 1 8.693 . . . . . . A 48 LEU H . 25447 1 538 . 1 1 50 50 LEU HA H 1 3.586 . . . . . . A 48 LEU HA . 25447 1 539 . 1 1 50 50 LEU HB2 H 1 2.187 . . . . . . A 48 LEU HB2 . 25447 1 540 . 1 1 50 50 LEU HB3 H 1 1.298 . . . . . . A 48 LEU HB3 . 25447 1 541 . 1 1 50 50 LEU HG H 1 2.254 . . . . . . A 48 LEU HG . 25447 1 542 . 1 1 50 50 LEU HD11 H 1 0.858 . . . . . . A 48 LEU HD1# . 25447 1 543 . 1 1 50 50 LEU HD12 H 1 0.858 . . . . . . A 48 LEU HD1# . 25447 1 544 . 1 1 50 50 LEU HD13 H 1 0.858 . . . . . . A 48 LEU HD1# . 25447 1 545 . 1 1 50 50 LEU HD21 H 1 0.883 . . . . . . A 48 LEU HD2# . 25447 1 546 . 1 1 50 50 LEU HD22 H 1 0.883 . . . . . . A 48 LEU HD2# . 25447 1 547 . 1 1 50 50 LEU HD23 H 1 0.883 . . . . . . A 48 LEU HD2# . 25447 1 548 . 1 1 50 50 LEU CA C 13 58.195 . . . . . . A 48 LEU CA . 25447 1 549 . 1 1 50 50 LEU CB C 13 42.251 . . . . . . A 48 LEU CB . 25447 1 550 . 1 1 50 50 LEU CG C 13 26.391 . . . . . . A 48 LEU CG . 25447 1 551 . 1 1 50 50 LEU CD1 C 13 24.423 . . . . . . A 48 LEU CD1 . 25447 1 552 . 1 1 50 50 LEU CD2 C 13 27.552 . . . . . . A 48 LEU CD2 . 25447 1 553 . 1 1 50 50 LEU N N 15 118.963 . . . . . . A 48 LEU N . 25447 1 554 . 1 1 51 51 GLU H H 1 7.771 . . . . . . A 49 GLU H . 25447 1 555 . 1 1 51 51 GLU HA H 1 4.050 . . . . . . A 49 GLU HA . 25447 1 556 . 1 1 51 51 GLU HB2 H 1 2.214 . . . . . . A 49 GLU HB2 . 25447 1 557 . 1 1 51 51 GLU HB3 H 1 2.083 . . . . . . A 49 GLU HB3 . 25447 1 558 . 1 1 51 51 GLU HG2 H 1 2.293 . . . . . . A 49 GLU HG2 . 25447 1 559 . 1 1 51 51 GLU HG3 H 1 2.204 . . . . . . A 49 GLU HG3 . 25447 1 560 . 1 1 51 51 GLU CA C 13 59.862 . . . . . . A 49 GLU CA . 25447 1 561 . 1 1 51 51 GLU CB C 13 29.586 . . . . . . A 49 GLU CB . 25447 1 562 . 1 1 51 51 GLU CG C 13 36.103 . . . . . . A 49 GLU CG . 25447 1 563 . 1 1 51 51 GLU N N 15 119.131 . . . . . . A 49 GLU N . 25447 1 564 . 1 1 52 52 ASP H H 1 7.697 . . . . . . A 50 ASP H . 25447 1 565 . 1 1 52 52 ASP HA H 1 4.237 . . . . . . A 50 ASP HA . 25447 1 566 . 1 1 52 52 ASP HB2 H 1 2.676 . . . . . . A 50 ASP HB2 . 25447 1 567 . 1 1 52 52 ASP HB3 H 1 2.562 . . . . . . A 50 ASP HB3 . 25447 1 568 . 1 1 52 52 ASP CA C 13 57.355 . . . . . . A 50 ASP CA . 25447 1 569 . 1 1 52 52 ASP CB C 13 42.383 . . . . . . A 50 ASP CB . 25447 1 570 . 1 1 52 52 ASP N N 15 119.941 . . . . . . A 50 ASP N . 25447 1 571 . 1 1 53 53 ARG H H 1 8.881 . . . . . . A 51 ARG H . 25447 1 572 . 1 1 53 53 ARG HA H 1 3.736 . . . . . . A 51 ARG HA . 25447 1 573 . 1 1 53 53 ARG HB2 H 1 0.612 . . . . . . A 51 ARG HB2 . 25447 1 574 . 1 1 53 53 ARG HB3 H 1 0.221 . . . . . . A 51 ARG HB3 . 25447 1 575 . 1 1 53 53 ARG HG2 H 1 0.424 . . . . . . A 51 ARG HG2 . 25447 1 576 . 1 1 53 53 ARG HG3 H 1 -0.258 . . . . . . A 51 ARG HG3 . 25447 1 577 . 1 1 53 53 ARG HD2 H 1 2.846 . . . . . . A 51 ARG HD2 . 25447 1 578 . 1 1 53 53 ARG HD3 H 1 2.688 . . . . . . A 51 ARG HD3 . 25447 1 579 . 1 1 53 53 ARG CA C 13 56.364 . . . . . . A 51 ARG CA . 25447 1 580 . 1 1 53 53 ARG CB C 13 29.315 . . . . . . A 51 ARG CB . 25447 1 581 . 1 1 53 53 ARG CG C 13 25.612 . . . . . . A 51 ARG CG . 25447 1 582 . 1 1 53 53 ARG CD C 13 41.726 . . . . . . A 51 ARG CD . 25447 1 583 . 1 1 53 53 ARG N N 15 116.911 . . . . . . A 51 ARG N . 25447 1 584 . 1 1 53 53 ARG NE N 15 117.535 . . . . . . A 51 ARG NE . 25447 1 585 . 1 1 54 54 PHE H H 1 7.284 . . . . . . A 52 PHE H . 25447 1 586 . 1 1 54 54 PHE HA H 1 4.675 . . . . . . A 52 PHE HA . 25447 1 587 . 1 1 54 54 PHE HB2 H 1 3.095 . . . . . . A 52 PHE HB2 . 25447 1 588 . 1 1 54 54 PHE HB3 H 1 2.630 . . . . . . A 52 PHE HB3 . 25447 1 589 . 1 1 54 54 PHE CA C 13 57.413 . . . . . . A 52 PHE CA . 25447 1 590 . 1 1 54 54 PHE CB C 13 40.892 . . . . . . A 52 PHE CB . 25447 1 591 . 1 1 54 54 PHE N N 15 112.328 . . . . . . A 52 PHE N . 25447 1 592 . 1 1 55 55 GLY H H 1 7.427 . . . . . . A 53 GLY H . 25447 1 593 . 1 1 55 55 GLY HA2 H 1 3.974 . . . . . . A 53 GLY HA2 . 25447 1 594 . 1 1 55 55 GLY HA3 H 1 3.933 . . . . . . A 53 GLY HA3 . 25447 1 595 . 1 1 55 55 GLY CA C 13 46.801 . . . . . . A 53 GLY CA . 25447 1 596 . 1 1 55 55 GLY N N 15 109.826 . . . . . . A 53 GLY N . 25447 1 597 . 1 1 56 56 ILE H H 1 6.876 . . . . . . A 54 ILE H . 25447 1 598 . 1 1 56 56 ILE HA H 1 3.951 . . . . . . A 54 ILE HA . 25447 1 599 . 1 1 56 56 ILE HB H 1 1.452 . . . . . . A 54 ILE HB . 25447 1 600 . 1 1 56 56 ILE HG12 H 1 1.324 . . . . . . A 54 ILE HG1# . 25447 1 601 . 1 1 56 56 ILE HG13 H 1 1.324 . . . . . . A 54 ILE HG1# . 25447 1 602 . 1 1 56 56 ILE HG21 H 1 0.810 . . . . . . A 54 ILE HG2# . 25447 1 603 . 1 1 56 56 ILE HG22 H 1 0.810 . . . . . . A 54 ILE HG2# . 25447 1 604 . 1 1 56 56 ILE HG23 H 1 0.810 . . . . . . A 54 ILE HG2# . 25447 1 605 . 1 1 56 56 ILE HD11 H 1 0.697 . . . . . . A 54 ILE HD1# . 25447 1 606 . 1 1 56 56 ILE HD12 H 1 0.697 . . . . . . A 54 ILE HD1# . 25447 1 607 . 1 1 56 56 ILE HD13 H 1 0.697 . . . . . . A 54 ILE HD1# . 25447 1 608 . 1 1 56 56 ILE CA C 13 60.685 . . . . . . A 54 ILE CA . 25447 1 609 . 1 1 56 56 ILE CB C 13 39.490 . . . . . . A 54 ILE CB . 25447 1 610 . 1 1 56 56 ILE CG1 C 13 27.050 . . . . . . A 54 ILE CG1 . 25447 1 611 . 1 1 56 56 ILE CG2 C 13 17.513 . . . . . . A 54 ILE CG2 . 25447 1 612 . 1 1 56 56 ILE CD1 C 13 15.232 . . . . . . A 54 ILE CD1 . 25447 1 613 . 1 1 56 56 ILE N N 15 119.127 . . . . . . A 54 ILE N . 25447 1 614 . 1 1 57 57 ALA H H 1 8.499 . . . . . . A 55 ALA H . 25447 1 615 . 1 1 57 57 ALA HA H 1 4.414 . . . . . . A 55 ALA HA . 25447 1 616 . 1 1 57 57 ALA HB1 H 1 1.381 . . . . . . A 55 ALA HB# . 25447 1 617 . 1 1 57 57 ALA HB2 H 1 1.381 . . . . . . A 55 ALA HB# . 25447 1 618 . 1 1 57 57 ALA HB3 H 1 1.381 . . . . . . A 55 ALA HB# . 25447 1 619 . 1 1 57 57 ALA CA C 13 51.610 . . . . . . A 55 ALA CA . 25447 1 620 . 1 1 57 57 ALA CB C 13 19.262 . . . . . . A 55 ALA CB . 25447 1 621 . 1 1 57 57 ALA N N 15 129.823 . . . . . . A 55 ALA N . 25447 1 622 . 1 1 58 58 ALA H H 1 8.641 . . . . . . A 56 ALA H . 25447 1 623 . 1 1 58 58 ALA HA H 1 4.269 . . . . . . A 56 ALA HA . 25447 1 624 . 1 1 58 58 ALA HB1 H 1 1.374 . . . . . . A 56 ALA HB# . 25447 1 625 . 1 1 58 58 ALA HB2 H 1 1.374 . . . . . . A 56 ALA HB# . 25447 1 626 . 1 1 58 58 ALA HB3 H 1 1.374 . . . . . . A 56 ALA HB# . 25447 1 627 . 1 1 58 58 ALA CA C 13 53.474 . . . . . . A 56 ALA CA . 25447 1 628 . 1 1 58 58 ALA CB C 13 19.244 . . . . . . A 56 ALA CB . 25447 1 629 . 1 1 58 58 ALA N N 15 126.300 . . . . . . A 56 ALA N . 25447 1 630 . 1 1 59 59 ASP H H 1 8.337 . . . . . . A 57 ASP H . 25447 1 631 . 1 1 59 59 ASP HA H 1 4.479 . . . . . . A 57 ASP HA . 25447 1 632 . 1 1 59 59 ASP HB2 H 1 2.669 . . . . . . A 57 ASP HB2 . 25447 1 633 . 1 1 59 59 ASP HB3 H 1 2.581 . . . . . . A 57 ASP HB3 . 25447 1 634 . 1 1 59 59 ASP CA C 13 55.226 . . . . . . A 57 ASP CA . 25447 1 635 . 1 1 59 59 ASP CB C 13 40.922 . . . . . . A 57 ASP CB . 25447 1 636 . 1 1 59 59 ASP N N 15 116.395 . . . . . . A 57 ASP N . 25447 1 637 . 1 1 60 60 ASP H H 1 8.027 . . . . . . A 58 ASP H . 25447 1 638 . 1 1 60 60 ASP HA H 1 4.636 . . . . . . A 58 ASP HA . 25447 1 639 . 1 1 60 60 ASP HB2 H 1 2.771 . . . . . . A 58 ASP HB2 . 25447 1 640 . 1 1 60 60 ASP HB3 H 1 2.730 . . . . . . A 58 ASP HB3 . 25447 1 641 . 1 1 60 60 ASP CA C 13 55.144 . . . . . . A 58 ASP CA . 25447 1 642 . 1 1 60 60 ASP CB C 13 41.504 . . . . . . A 58 ASP CB . 25447 1 643 . 1 1 60 60 ASP N N 15 118.557 . . . . . . A 58 ASP N . 25447 1 644 . 1 1 61 61 VAL H H 1 7.716 . . . . . . A 59 VAL H . 25447 1 645 . 1 1 61 61 VAL HA H 1 4.176 . . . . . . A 59 VAL HA . 25447 1 646 . 1 1 61 61 VAL HB H 1 2.167 . . . . . . A 59 VAL HB . 25447 1 647 . 1 1 61 61 VAL HG11 H 1 0.948 . . . . . . A 59 VAL HG# . 25447 1 648 . 1 1 61 61 VAL HG12 H 1 0.948 . . . . . . A 59 VAL HG# . 25447 1 649 . 1 1 61 61 VAL HG13 H 1 0.948 . . . . . . A 59 VAL HG# . 25447 1 650 . 1 1 61 61 VAL HG21 H 1 0.948 . . . . . . A 59 VAL HG# . 25447 1 651 . 1 1 61 61 VAL HG22 H 1 0.948 . . . . . . A 59 VAL HG# . 25447 1 652 . 1 1 61 61 VAL HG23 H 1 0.948 . . . . . . A 59 VAL HG# . 25447 1 653 . 1 1 61 61 VAL CA C 13 62.300 . . . . . . A 59 VAL CA . 25447 1 654 . 1 1 61 61 VAL CB C 13 33.078 . . . . . . A 59 VAL CB . 25447 1 655 . 1 1 61 61 VAL N N 15 118.898 . . . . . . A 59 VAL N . 25447 1 656 . 1 1 62 62 GLU H H 1 8.367 . . . . . . A 60 GLU H . 25447 1 657 . 1 1 62 62 GLU HA H 1 4.284 . . . . . . A 60 GLU HA . 25447 1 658 . 1 1 62 62 GLU HB2 H 1 2.110 . . . . . . A 60 GLU HB2 . 25447 1 659 . 1 1 62 62 GLU HB3 H 1 1.993 . . . . . . A 60 GLU HB3 . 25447 1 660 . 1 1 62 62 GLU HG2 H 1 2.300 . . . . . . A 60 GLU HG2 . 25447 1 661 . 1 1 62 62 GLU HG3 H 1 2.196 . . . . . . A 60 GLU HG3 . 25447 1 662 . 1 1 62 62 GLU CA C 13 56.546 . . . . . . A 60 GLU CA . 25447 1 663 . 1 1 62 62 GLU CB C 13 29.782 . . . . . . A 60 GLU CB . 25447 1 664 . 1 1 62 62 GLU CG C 13 36.296 . . . . . . A 60 GLU CG . 25447 1 665 . 1 1 62 62 GLU CD C 13 36.431 . . . . . . A 60 GLU CD . 25447 1 666 . 1 1 62 62 GLU N N 15 122.888 . . . . . . A 60 GLU N . 25447 1 667 . 1 1 63 63 LEU H H 1 8.198 . . . . . . A 61 LEU H . 25447 1 668 . 1 1 63 63 LEU HA H 1 4.358 . . . . . . A 61 LEU HA . 25447 1 669 . 1 1 63 63 LEU HB2 H 1 1.713 . . . . . . A 61 LEU HB2 . 25447 1 670 . 1 1 63 63 LEU HB3 H 1 1.525 . . . . . . A 61 LEU HB3 . 25447 1 671 . 1 1 63 63 LEU HG H 1 1.654 . . . . . . A 61 LEU HG . 25447 1 672 . 1 1 63 63 LEU HD11 H 1 0.821 . . . . . . A 61 LEU HD1# . 25447 1 673 . 1 1 63 63 LEU HD12 H 1 0.821 . . . . . . A 61 LEU HD1# . 25447 1 674 . 1 1 63 63 LEU HD13 H 1 0.821 . . . . . . A 61 LEU HD1# . 25447 1 675 . 1 1 63 63 LEU HD21 H 1 0.901 . . . . . . A 61 LEU HD2# . 25447 1 676 . 1 1 63 63 LEU HD22 H 1 0.901 . . . . . . A 61 LEU HD2# . 25447 1 677 . 1 1 63 63 LEU HD23 H 1 0.901 . . . . . . A 61 LEU HD2# . 25447 1 678 . 1 1 63 63 LEU CA C 13 54.816 . . . . . . A 61 LEU CA . 25447 1 679 . 1 1 63 63 LEU CB C 13 41.937 . . . . . . A 61 LEU CB . 25447 1 680 . 1 1 63 63 LEU CG C 13 26.750 . . . . . . A 61 LEU CG . 25447 1 681 . 1 1 63 63 LEU CD1 C 13 24.657 . . . . . . A 61 LEU CD1 . 25447 1 682 . 1 1 63 63 LEU CD2 C 13 24.657 . . . . . . A 61 LEU CD2 . 25447 1 683 . 1 1 63 63 LEU N N 15 124.827 . . . . . . A 61 LEU N . 25447 1 684 . 1 1 64 64 SER H H 1 8.137 . . . . . . A 62 SER H . 25447 1 685 . 1 1 64 64 SER HA H 1 4.809 . . . . . . A 62 SER HA . 25447 1 686 . 1 1 64 64 SER HB2 H 1 3.839 . . . . . . A 62 SER HB2 . 25447 1 687 . 1 1 64 64 SER HB3 H 1 3.608 . . . . . . A 62 SER HB3 . 25447 1 688 . 1 1 64 64 SER CA C 13 55.732 . . . . . . A 62 SER CA . 25447 1 689 . 1 1 64 64 SER CB C 13 64.017 . . . . . . A 62 SER CB . 25447 1 690 . 1 1 64 64 SER N N 15 118.715 . . . . . . A 62 SER N . 25447 1 691 . 1 1 65 65 PRO HA H 1 4.253 . . . . . . A 63 PRO HA . 25447 1 692 . 1 1 65 65 PRO HB2 H 1 2.283 . . . . . . A 63 PRO HB2 . 25447 1 693 . 1 1 65 65 PRO HB3 H 1 1.962 . . . . . . A 63 PRO HB3 . 25447 1 694 . 1 1 65 65 PRO HG2 H 1 1.994 . . . . . . A 63 PRO HG2 . 25447 1 695 . 1 1 65 65 PRO HG3 H 1 1.742 . . . . . . A 63 PRO HG3 . 25447 1 696 . 1 1 65 65 PRO HD2 H 1 3.847 . . . . . . A 63 PRO HD2 . 25447 1 697 . 1 1 65 65 PRO HD3 H 1 3.839 . . . . . . A 63 PRO HD3 . 25447 1 698 . 1 1 65 65 PRO CA C 13 64.896 . . . . . . A 63 PRO CA . 25447 1 699 . 1 1 65 65 PRO CB C 13 32.052 . . . . . . A 63 PRO CB . 25447 1 700 . 1 1 65 65 PRO CG C 13 27.457 . . . . . . A 63 PRO CG . 25447 1 701 . 1 1 65 65 PRO CD C 13 51.093 . . . . . . A 63 PRO CD . 25447 1 702 . 1 1 66 66 GLU H H 1 8.316 . . . . . . A 64 GLU H . 25447 1 703 . 1 1 66 66 GLU HA H 1 3.873 . . . . . . A 64 GLU HA . 25447 1 704 . 1 1 66 66 GLU HB2 H 1 1.849 . . . . . . A 64 GLU HB2 . 25447 1 705 . 1 1 66 66 GLU HB3 H 1 1.717 . . . . . . A 64 GLU HB3 . 25447 1 706 . 1 1 66 66 GLU HG2 H 1 2.071 . . . . . . A 64 GLU HG2 . 25447 1 707 . 1 1 66 66 GLU HG3 H 1 1.936 . . . . . . A 64 GLU HG3 . 25447 1 708 . 1 1 66 66 GLU CA C 13 58.719 . . . . . . A 64 GLU CA . 25447 1 709 . 1 1 66 66 GLU CB C 13 28.681 . . . . . . A 64 GLU CB . 25447 1 710 . 1 1 66 66 GLU CG C 13 35.644 . . . . . . A 64 GLU CG . 25447 1 711 . 1 1 66 66 GLU N N 15 116.554 . . . . . . A 64 GLU N . 25447 1 712 . 1 1 67 67 HIS H H 1 7.274 . . . . . . A 65 HIS H . 25447 1 713 . 1 1 67 67 HIS HA H 1 4.280 . . . . . . A 65 HIS HA . 25447 1 714 . 1 1 67 67 HIS HB2 H 1 2.147 . . . . . . A 65 HIS HB2 . 25447 1 715 . 1 1 67 67 HIS HB3 H 1 1.727 . . . . . . A 65 HIS HB3 . 25447 1 716 . 1 1 67 67 HIS HD2 H 1 7.006 . . . . . . A 65 HIS HD2 . 25447 1 717 . 1 1 67 67 HIS HE1 H 1 6.785 . . . . . . A 65 HIS HE1 . 25447 1 718 . 1 1 67 67 HIS HE2 H 1 6.780 . . . . . . A 65 HIS HE2 . 25447 1 719 . 1 1 67 67 HIS CA C 13 57.652 . . . . . . A 65 HIS CA . 25447 1 720 . 1 1 67 67 HIS CB C 13 29.882 . . . . . . A 65 HIS CB . 25447 1 721 . 1 1 67 67 HIS N N 15 115.487 . . . . . . A 65 HIS N . 25447 1 722 . 1 1 68 68 PHE H H 1 7.239 . . . . . . A 66 PHE H . 25447 1 723 . 1 1 68 68 PHE HA H 1 4.766 . . . . . . A 66 PHE HA . 25447 1 724 . 1 1 68 68 PHE HB2 H 1 3.269 . . . . . . A 66 PHE HB2 . 25447 1 725 . 1 1 68 68 PHE HB3 H 1 2.587 . . . . . . A 66 PHE HB3 . 25447 1 726 . 1 1 68 68 PHE HZ H 1 6.814 . . . . . . A 66 PHE HZ . 25447 1 727 . 1 1 68 68 PHE CA C 13 55.782 . . . . . . A 66 PHE CA . 25447 1 728 . 1 1 68 68 PHE CB C 13 38.908 . . . . . . A 66 PHE CB . 25447 1 729 . 1 1 68 68 PHE N N 15 116.127 . . . . . . A 66 PHE N . 25447 1 730 . 1 1 69 69 ARG H H 1 6.628 . . . . . . A 67 ARG H . 25447 1 731 . 1 1 69 69 ARG HA H 1 4.085 . . . . . . A 67 ARG HA . 25447 1 732 . 1 1 69 69 ARG HB2 H 1 1.977 . . . . . . A 67 ARG HB2 . 25447 1 733 . 1 1 69 69 ARG HB3 H 1 1.806 . . . . . . A 67 ARG HB3 . 25447 1 734 . 1 1 69 69 ARG HG2 H 1 1.744 . . . . . . A 67 ARG HG2 . 25447 1 735 . 1 1 69 69 ARG HG3 H 1 1.545 . . . . . . A 67 ARG HG3 . 25447 1 736 . 1 1 69 69 ARG HD2 H 1 3.375 . . . . . . A 67 ARG HD2 . 25447 1 737 . 1 1 69 69 ARG HD3 H 1 3.093 . . . . . . A 67 ARG HD3 . 25447 1 738 . 1 1 69 69 ARG HE H 1 8.444 . . . . . . A 67 ARG HE . 25447 1 739 . 1 1 69 69 ARG CA C 13 58.287 . . . . . . A 67 ARG CA . 25447 1 740 . 1 1 69 69 ARG CB C 13 31.760 . . . . . . A 67 ARG CB . 25447 1 741 . 1 1 69 69 ARG CG C 13 28.144 . . . . . . A 67 ARG CG . 25447 1 742 . 1 1 69 69 ARG CD C 13 43.176 . . . . . . A 67 ARG CD . 25447 1 743 . 1 1 69 69 ARG N N 15 112.468 . . . . . . A 67 ARG N . 25447 1 744 . 1 1 69 69 ARG NE N 15 118.042 . . . . . . A 67 ARG NE . 25447 1 745 . 1 1 69 69 ARG NH2 N 15 118.258 . . . . . . A 67 ARG NH2 . 25447 1 746 . 1 1 70 70 SER H H 1 8.145 . . . . . . A 68 SER H . 25447 1 747 . 1 1 70 70 SER HA H 1 4.980 . . . . . . A 68 SER HA . 25447 1 748 . 1 1 70 70 SER HB2 H 1 4.409 . . . . . . A 68 SER HB2 . 25447 1 749 . 1 1 70 70 SER HB3 H 1 3.743 . . . . . . A 68 SER HB3 . 25447 1 750 . 1 1 70 70 SER CA C 13 55.785 . . . . . . A 68 SER CA . 25447 1 751 . 1 1 70 70 SER CB C 13 67.691 . . . . . . A 68 SER CB . 25447 1 752 . 1 1 70 70 SER N N 15 109.305 . . . . . . A 68 SER N . 25447 1 753 . 1 1 71 71 ILE H H 1 9.775 . . . . . . A 69 ILE H . 25447 1 754 . 1 1 71 71 ILE HA H 1 3.676 . . . . . . A 69 ILE HA . 25447 1 755 . 1 1 71 71 ILE HB H 1 2.002 . . . . . . A 69 ILE HB . 25447 1 756 . 1 1 71 71 ILE HG12 H 1 2.025 . . . . . . A 69 ILE HG12 . 25447 1 757 . 1 1 71 71 ILE HG13 H 1 1.086 . . . . . . A 69 ILE HG13 . 25447 1 758 . 1 1 71 71 ILE HG21 H 1 1.045 . . . . . . A 69 ILE HG2# . 25447 1 759 . 1 1 71 71 ILE HG22 H 1 1.045 . . . . . . A 69 ILE HG2# . 25447 1 760 . 1 1 71 71 ILE HG23 H 1 1.045 . . . . . . A 69 ILE HG2# . 25447 1 761 . 1 1 71 71 ILE HD11 H 1 0.918 . . . . . . A 69 ILE HD1# . 25447 1 762 . 1 1 71 71 ILE HD12 H 1 0.918 . . . . . . A 69 ILE HD1# . 25447 1 763 . 1 1 71 71 ILE HD13 H 1 0.918 . . . . . . A 69 ILE HD1# . 25447 1 764 . 1 1 71 71 ILE CA C 13 66.754 . . . . . . A 69 ILE CA . 25447 1 765 . 1 1 71 71 ILE CB C 13 37.296 . . . . . . A 69 ILE CB . 25447 1 766 . 1 1 71 71 ILE CG1 C 13 29.685 . . . . . . A 69 ILE CG1 . 25447 1 767 . 1 1 71 71 ILE CG2 C 13 17.203 . . . . . . A 69 ILE CG2 . 25447 1 768 . 1 1 71 71 ILE CD1 C 13 13.637 . . . . . . A 69 ILE CD1 . 25447 1 769 . 1 1 71 71 ILE N N 15 122.602 . . . . . . A 69 ILE N . 25447 1 770 . 1 1 72 72 ARG H H 1 8.910 . . . . . . A 70 ARG H . 25447 1 771 . 1 1 72 72 ARG HA H 1 3.955 . . . . . . A 70 ARG HA . 25447 1 772 . 1 1 72 72 ARG HB2 H 1 1.785 . . . . . . A 70 ARG HB2 . 25447 1 773 . 1 1 72 72 ARG HG2 H 1 1.469 . . . . . . A 70 ARG HG2 . 25447 1 774 . 1 1 72 72 ARG HG3 H 1 1.189 . . . . . . A 70 ARG HG3 . 25447 1 775 . 1 1 72 72 ARG HD2 H 1 3.407 . . . . . . A 70 ARG HD2 . 25447 1 776 . 1 1 72 72 ARG HD3 H 1 3.018 . . . . . . A 70 ARG HD3 . 25447 1 777 . 1 1 72 72 ARG HE H 1 9.356 . . . . . . A 70 ARG HE . 25447 1 778 . 1 1 72 72 ARG CA C 13 60.533 . . . . . . A 70 ARG CA . 25447 1 779 . 1 1 72 72 ARG CB C 13 30.418 . . . . . . A 70 ARG CB . 25447 1 780 . 1 1 72 72 ARG CG C 13 27.391 . . . . . . A 70 ARG CG . 25447 1 781 . 1 1 72 72 ARG CD C 13 42.660 . . . . . . A 70 ARG CD . 25447 1 782 . 1 1 72 72 ARG N N 15 118.764 . . . . . . A 70 ARG N . 25447 1 783 . 1 1 72 72 ARG NE N 15 116.937 . . . . . . A 70 ARG NE . 25447 1 784 . 1 1 73 73 SER H H 1 8.518 . . . . . . A 71 SER H . 25447 1 785 . 1 1 73 73 SER HA H 1 4.330 . . . . . . A 71 SER HA . 25447 1 786 . 1 1 73 73 SER HB2 H 1 4.136 . . . . . . A 71 SER HB2 . 25447 1 787 . 1 1 73 73 SER HB3 H 1 3.923 . . . . . . A 71 SER HB3 . 25447 1 788 . 1 1 73 73 SER CA C 13 62.287 . . . . . . A 71 SER CA . 25447 1 789 . 1 1 73 73 SER CB C 13 63.278 . . . . . . A 71 SER CB . 25447 1 790 . 1 1 73 73 SER N N 15 117.670 . . . . . . A 71 SER N . 25447 1 791 . 1 1 74 74 ILE H H 1 8.762 . . . . . . A 72 ILE H . 25447 1 792 . 1 1 74 74 ILE HA H 1 3.910 . . . . . . A 72 ILE HA . 25447 1 793 . 1 1 74 74 ILE HB H 1 2.073 . . . . . . A 72 ILE HB . 25447 1 794 . 1 1 74 74 ILE HG12 H 1 2.380 . . . . . . A 72 ILE HG12 . 25447 1 795 . 1 1 74 74 ILE HG13 H 1 1.052 . . . . . . A 72 ILE HG13 . 25447 1 796 . 1 1 74 74 ILE HG21 H 1 1.097 . . . . . . A 72 ILE HG21 . 25447 1 797 . 1 1 74 74 ILE HG22 H 1 1.126 . . . . . . A 72 ILE HG22 . 25447 1 798 . 1 1 74 74 ILE HG23 H 1 1.115 . . . . . . A 72 ILE HG23 . 25447 1 799 . 1 1 74 74 ILE HD11 H 1 0.780 . . . . . . A 72 ILE HD1# . 25447 1 800 . 1 1 74 74 ILE HD12 H 1 0.780 . . . . . . A 72 ILE HD1# . 25447 1 801 . 1 1 74 74 ILE HD13 H 1 0.780 . . . . . . A 72 ILE HD1# . 25447 1 802 . 1 1 74 74 ILE CA C 13 66.811 . . . . . . A 72 ILE CA . 25447 1 803 . 1 1 74 74 ILE CB C 13 38.398 . . . . . . A 72 ILE CB . 25447 1 804 . 1 1 74 74 ILE CG1 C 13 31.307 . . . . . . A 72 ILE CG1 . 25447 1 805 . 1 1 74 74 ILE CG2 C 13 18.665 . . . . . . A 72 ILE CG2 . 25447 1 806 . 1 1 74 74 ILE CD1 C 13 12.176 . . . . . . A 72 ILE CD1 . 25447 1 807 . 1 1 74 74 ILE N N 15 127.447 . . . . . . A 72 ILE N . 25447 1 808 . 1 1 75 75 ASP H H 1 8.677 . . . . . . A 73 ASP H . 25447 1 809 . 1 1 75 75 ASP HA H 1 4.013 . . . . . . A 73 ASP HA . 25447 1 810 . 1 1 75 75 ASP HB2 H 1 2.832 . . . . . . A 73 ASP HB2 . 25447 1 811 . 1 1 75 75 ASP HB3 H 1 2.457 . . . . . . A 73 ASP HB3 . 25447 1 812 . 1 1 75 75 ASP CA C 13 59.148 . . . . . . A 73 ASP CA . 25447 1 813 . 1 1 75 75 ASP CB C 13 43.540 . . . . . . A 73 ASP CB . 25447 1 814 . 1 1 75 75 ASP N N 15 121.636 . . . . . . A 73 ASP N . 25447 1 815 . 1 1 76 76 ALA H H 1 8.005 . . . . . . A 74 ALA H . 25447 1 816 . 1 1 76 76 ALA HA H 1 4.044 . . . . . . A 74 ALA HA . 25447 1 817 . 1 1 76 76 ALA HB1 H 1 1.592 . . . . . . A 74 ALA HB# . 25447 1 818 . 1 1 76 76 ALA HB2 H 1 1.592 . . . . . . A 74 ALA HB# . 25447 1 819 . 1 1 76 76 ALA HB3 H 1 1.592 . . . . . . A 74 ALA HB# . 25447 1 820 . 1 1 76 76 ALA CA C 13 55.321 . . . . . . A 74 ALA CA . 25447 1 821 . 1 1 76 76 ALA CB C 13 17.945 . . . . . . A 74 ALA CB . 25447 1 822 . 1 1 76 76 ALA N N 15 118.793 . . . . . . A 74 ALA N . 25447 1 823 . 1 1 77 77 PHE H H 1 8.353 . . . . . . A 75 PHE H . 25447 1 824 . 1 1 77 77 PHE HA H 1 4.038 . . . . . . A 75 PHE HA . 25447 1 825 . 1 1 77 77 PHE HB2 H 1 3.367 . . . . . . A 75 PHE HB2 . 25447 1 826 . 1 1 77 77 PHE HB3 H 1 3.087 . . . . . . A 75 PHE HB3 . 25447 1 827 . 1 1 77 77 PHE HD1 H 1 6.659 . . . . . . A 75 PHE HD# . 25447 1 828 . 1 1 77 77 PHE HD2 H 1 6.659 . . . . . . A 75 PHE HD# . 25447 1 829 . 1 1 77 77 PHE HE1 H 1 6.825 . . . . . . A 75 PHE HE# . 25447 1 830 . 1 1 77 77 PHE HE2 H 1 6.825 . . . . . . A 75 PHE HE# . 25447 1 831 . 1 1 77 77 PHE CA C 13 61.015 . . . . . . A 75 PHE CA . 25447 1 832 . 1 1 77 77 PHE CB C 13 38.837 . . . . . . A 75 PHE CB . 25447 1 833 . 1 1 77 77 PHE N N 15 121.235 . . . . . . A 75 PHE N . 25447 1 834 . 1 1 78 78 VAL H H 1 8.544 . . . . . . A 76 VAL H . 25447 1 835 . 1 1 78 78 VAL HA H 1 2.943 . . . . . . A 76 VAL HA . 25447 1 836 . 1 1 78 78 VAL HB H 1 1.821 . . . . . . A 76 VAL HB . 25447 1 837 . 1 1 78 78 VAL HG11 H 1 -0.417 . . . . . . A 76 VAL HG1# . 25447 1 838 . 1 1 78 78 VAL HG12 H 1 -0.417 . . . . . . A 76 VAL HG1# . 25447 1 839 . 1 1 78 78 VAL HG13 H 1 -0.417 . . . . . . A 76 VAL HG1# . 25447 1 840 . 1 1 78 78 VAL HG21 H 1 0.574 . . . . . . A 76 VAL HG2# . 25447 1 841 . 1 1 78 78 VAL HG22 H 1 0.574 . . . . . . A 76 VAL HG2# . 25447 1 842 . 1 1 78 78 VAL HG23 H 1 0.574 . . . . . . A 76 VAL HG2# . 25447 1 843 . 1 1 78 78 VAL CA C 13 66.901 . . . . . . A 76 VAL CA . 25447 1 844 . 1 1 78 78 VAL CB C 13 31.247 . . . . . . A 76 VAL CB . 25447 1 845 . 1 1 78 78 VAL CG1 C 13 20.633 . . . . . . A 76 VAL CG1 . 25447 1 846 . 1 1 78 78 VAL CG2 C 13 23.818 . . . . . . A 76 VAL CG2 . 25447 1 847 . 1 1 78 78 VAL N N 15 120.866 . . . . . . A 76 VAL N . 25447 1 848 . 1 1 79 79 VAL H H 1 8.708 . . . . . . A 77 VAL H . 25447 1 849 . 1 1 79 79 VAL HA H 1 3.495 . . . . . . A 77 VAL HA . 25447 1 850 . 1 1 79 79 VAL HB H 1 2.054 . . . . . . A 77 VAL HB . 25447 1 851 . 1 1 79 79 VAL HG11 H 1 0.916 . . . . . . A 77 VAL HG1# . 25447 1 852 . 1 1 79 79 VAL HG12 H 1 0.916 . . . . . . A 77 VAL HG1# . 25447 1 853 . 1 1 79 79 VAL HG13 H 1 0.916 . . . . . . A 77 VAL HG1# . 25447 1 854 . 1 1 79 79 VAL HG21 H 1 1.104 . . . . . . A 77 VAL HG2# . 25447 1 855 . 1 1 79 79 VAL HG22 H 1 1.104 . . . . . . A 77 VAL HG2# . 25447 1 856 . 1 1 79 79 VAL HG23 H 1 1.104 . . . . . . A 77 VAL HG2# . 25447 1 857 . 1 1 79 79 VAL CA C 13 66.833 . . . . . . A 77 VAL CA . 25447 1 858 . 1 1 79 79 VAL CB C 13 31.930 . . . . . . A 77 VAL CB . 25447 1 859 . 1 1 79 79 VAL CG1 C 13 21.244 . . . . . . A 77 VAL CG1 . 25447 1 860 . 1 1 79 79 VAL CG2 C 13 23.439 . . . . . . A 77 VAL CG2 . 25447 1 861 . 1 1 79 79 VAL N N 15 121.408 . . . . . . A 77 VAL N . 25447 1 862 . 1 1 80 80 GLY H H 1 7.945 . . . . . . A 78 GLY H . 25447 1 863 . 1 1 80 80 GLY HA2 H 1 3.818 . . . . . . A 78 GLY HA# . 25447 1 864 . 1 1 80 80 GLY HA3 H 1 3.818 . . . . . . A 78 GLY HA# . 25447 1 865 . 1 1 80 80 GLY CA C 13 46.840 . . . . . . A 78 GLY CA . 25447 1 866 . 1 1 80 80 GLY N N 15 106.402 . . . . . . A 78 GLY N . 25447 1 867 . 1 1 81 81 ALA H H 1 7.639 . . . . . . A 79 ALA H . 25447 1 868 . 1 1 81 81 ALA HA H 1 4.207 . . . . . . A 79 ALA HA . 25447 1 869 . 1 1 81 81 ALA HB1 H 1 0.965 . . . . . . A 79 ALA HB# . 25447 1 870 . 1 1 81 81 ALA HB2 H 1 0.965 . . . . . . A 79 ALA HB# . 25447 1 871 . 1 1 81 81 ALA HB3 H 1 0.965 . . . . . . A 79 ALA HB# . 25447 1 872 . 1 1 81 81 ALA CA C 13 52.929 . . . . . . A 79 ALA CA . 25447 1 873 . 1 1 81 81 ALA CB C 13 19.261 . . . . . . A 79 ALA CB . 25447 1 874 . 1 1 81 81 ALA N N 15 121.146 . . . . . . A 79 ALA N . 25447 1 875 . 1 1 82 82 THR H H 1 7.449 . . . . . . A 80 THR H . 25447 1 876 . 1 1 82 82 THR HA H 1 4.443 . . . . . . A 80 THR HA . 25447 1 877 . 1 1 82 82 THR HB H 1 4.410 . . . . . . A 80 THR HB . 25447 1 878 . 1 1 82 82 THR HG21 H 1 1.138 . . . . . . A 80 THR HG# . 25447 1 879 . 1 1 82 82 THR HG22 H 1 1.138 . . . . . . A 80 THR HG# . 25447 1 880 . 1 1 82 82 THR HG23 H 1 1.138 . . . . . . A 80 THR HG# . 25447 1 881 . 1 1 82 82 THR CA C 13 61.406 . . . . . . A 80 THR CA . 25447 1 882 . 1 1 82 82 THR CB C 13 70.767 . . . . . . A 80 THR CB . 25447 1 883 . 1 1 82 82 THR CG2 C 13 21.498 . . . . . . A 80 THR CG2 . 25447 1 884 . 1 1 82 82 THR N N 15 107.668 . . . . . . A 80 THR N . 25447 1 885 . 1 1 83 83 THR H H 1 7.685 . . . . . . A 81 THR H . 25447 1 886 . 1 1 83 83 THR HA H 1 4.665 . . . . . . A 81 THR HA . 25447 1 887 . 1 1 83 83 THR HB H 1 4.148 . . . . . . A 81 THR HB . 25447 1 888 . 1 1 83 83 THR HG21 H 1 1.269 . . . . . . A 81 THR HG# . 25447 1 889 . 1 1 83 83 THR HG22 H 1 1.269 . . . . . . A 81 THR HG# . 25447 1 890 . 1 1 83 83 THR HG23 H 1 1.269 . . . . . . A 81 THR HG# . 25447 1 891 . 1 1 83 83 THR CA C 13 60.412 . . . . . . A 81 THR CA . 25447 1 892 . 1 1 83 83 THR CB C 13 70.113 . . . . . . A 81 THR CB . 25447 1 893 . 1 1 83 83 THR CG2 C 13 21.007 . . . . . . A 81 THR CG2 . 25447 1 894 . 1 1 83 83 THR N N 15 119.953 . . . . . . A 81 THR N . 25447 1 895 . 1 1 84 84 PRO HA H 1 4.689 . . . . . . A 82 PRO HA . 25447 1 896 . 1 1 84 84 PRO HB2 H 1 2.379 . . . . . . A 82 PRO HB2 . 25447 1 897 . 1 1 84 84 PRO HB3 H 1 1.898 . . . . . . A 82 PRO HB3 . 25447 1 898 . 1 1 84 84 PRO HG2 H 1 2.065 . . . . . . A 82 PRO HG2 . 25447 1 899 . 1 1 84 84 PRO HG3 H 1 2.015 . . . . . . A 82 PRO HG3 . 25447 1 900 . 1 1 84 84 PRO HD2 H 1 3.933 . . . . . . A 82 PRO HD2 . 25447 1 901 . 1 1 84 84 PRO HD3 H 1 3.718 . . . . . . A 82 PRO HD3 . 25447 1 902 . 1 1 84 84 PRO CA C 13 61.688 . . . . . . A 82 PRO CA . 25447 1 903 . 1 1 84 84 PRO CB C 13 30.969 . . . . . . A 82 PRO CB . 25447 1 904 . 1 1 84 84 PRO CG C 13 27.503 . . . . . . A 82 PRO CG . 25447 1 905 . 1 1 84 84 PRO CD C 13 51.287 . . . . . . A 82 PRO CD . 25447 1 906 . 1 1 85 85 PRO HA H 1 4.481 . . . . . . A 83 PRO HA . 25447 1 907 . 1 1 85 85 PRO HB2 H 1 2.291 . . . . . . A 83 PRO HB2 . 25447 1 908 . 1 1 85 85 PRO HB3 H 1 1.925 . . . . . . A 83 PRO HB3 . 25447 1 909 . 1 1 85 85 PRO HG2 H 1 2.031 . . . . . . A 83 PRO HG# . 25447 1 910 . 1 1 85 85 PRO HG3 H 1 2.031 . . . . . . A 83 PRO HG# . 25447 1 911 . 1 1 85 85 PRO HD2 H 1 3.829 . . . . . . A 83 PRO HD2 . 25447 1 912 . 1 1 85 85 PRO HD3 H 1 3.651 . . . . . . A 83 PRO HD3 . 25447 1 913 . 1 1 85 85 PRO CA C 13 62.931 . . . . . . A 83 PRO CA . 25447 1 914 . 1 1 85 85 PRO CB C 13 32.193 . . . . . . A 83 PRO CB . 25447 1 915 . 1 1 85 85 PRO CG C 13 27.423 . . . . . . A 83 PRO CG . 25447 1 916 . 1 1 85 85 PRO CD C 13 50.710 . . . . . . A 83 PRO CD . 25447 1 917 . 1 1 86 86 VAL H H 1 8.257 . . . . . . A 84 VAL H . 25447 1 918 . 1 1 86 86 VAL HA H 1 4.093 . . . . . . A 84 VAL HA . 25447 1 919 . 1 1 86 86 VAL HB H 1 2.076 . . . . . . A 84 VAL HB . 25447 1 920 . 1 1 86 86 VAL HG11 H 1 0.962 . . . . . . A 84 VAL HG1# . 25447 1 921 . 1 1 86 86 VAL HG12 H 1 0.962 . . . . . . A 84 VAL HG1# . 25447 1 922 . 1 1 86 86 VAL HG13 H 1 0.962 . . . . . . A 84 VAL HG1# . 25447 1 923 . 1 1 86 86 VAL HG21 H 1 0.950 . . . . . . A 84 VAL HG2# . 25447 1 924 . 1 1 86 86 VAL HG22 H 1 0.950 . . . . . . A 84 VAL HG2# . 25447 1 925 . 1 1 86 86 VAL HG23 H 1 0.950 . . . . . . A 84 VAL HG2# . 25447 1 926 . 1 1 86 86 VAL CA C 13 62.339 . . . . . . A 84 VAL CA . 25447 1 927 . 1 1 86 86 VAL CB C 13 32.851 . . . . . . A 84 VAL CB . 25447 1 928 . 1 1 86 86 VAL CG1 C 13 20.955 . . . . . . A 84 VAL CG1 . 25447 1 929 . 1 1 86 86 VAL CG2 C 13 20.955 . . . . . . A 84 VAL CG2 . 25447 1 930 . 1 1 86 86 VAL N N 15 120.691 . . . . . . A 84 VAL N . 25447 1 931 . 1 1 87 87 GLU H H 1 8.202 . . . . . . A 85 GLU H . 25447 1 932 . 1 1 87 87 GLU HA H 1 4.284 . . . . . . A 85 GLU HA . 25447 1 933 . 1 1 87 87 GLU HB2 H 1 2.075 . . . . . . A 85 GLU HB2 . 25447 1 934 . 1 1 87 87 GLU HB3 H 1 1.896 . . . . . . A 85 GLU HB3 . 25447 1 935 . 1 1 87 87 GLU CA C 13 56.754 . . . . . . A 85 GLU CA . 25447 1 936 . 1 1 87 87 GLU CB C 13 30.559 . . . . . . A 85 GLU CB . 25447 1 937 . 1 1 87 87 GLU N N 15 127.655 . . . . . . A 85 GLU N . 25447 1 938 . 1 1 88 88 ALA H H 1 8.323 . . . . . . A 86 ALA H . 25447 1 939 . 1 1 88 88 ALA HA H 1 4.051 . . . . . . A 86 ALA HA . 25447 1 940 . 1 1 88 88 ALA HB1 H 1 1.493 . . . . . . A 86 ALA HB# . 25447 1 941 . 1 1 88 88 ALA HB2 H 1 1.493 . . . . . . A 86 ALA HB# . 25447 1 942 . 1 1 88 88 ALA HB3 H 1 1.493 . . . . . . A 86 ALA HB# . 25447 1 943 . 1 1 88 88 ALA CA C 13 52.148 . . . . . . A 86 ALA CA . 25447 1 944 . 1 1 88 88 ALA CB C 13 19.460 . . . . . . A 86 ALA CB . 25447 1 945 . 1 1 88 88 ALA N N 15 126.437 . . . . . . A 86 ALA N . 25447 1 946 . 1 1 89 89 LYS H H 1 8.333 . . . . . . A 87 LYS H . 25447 1 947 . 1 1 89 89 LYS HA H 1 4.347 . . . . . . A 87 LYS HA . 25447 1 948 . 1 1 89 89 LYS HB2 H 1 1.814 . . . . . . A 87 LYS HB2 . 25447 1 949 . 1 1 89 89 LYS HB3 H 1 1.774 . . . . . . A 87 LYS HB3 . 25447 1 950 . 1 1 89 89 LYS HG2 H 1 1.407 . . . . . . A 87 LYS HG# . 25447 1 951 . 1 1 89 89 LYS HG3 H 1 1.407 . . . . . . A 87 LYS HG# . 25447 1 952 . 1 1 89 89 LYS HD2 H 1 1.680 . . . . . . A 87 LYS HD# . 25447 1 953 . 1 1 89 89 LYS HD3 H 1 1.680 . . . . . . A 87 LYS HD# . 25447 1 954 . 1 1 89 89 LYS HE2 H 1 2.991 . . . . . . A 87 LYS HE# . 25447 1 955 . 1 1 89 89 LYS HE3 H 1 2.991 . . . . . . A 87 LYS HE# . 25447 1 956 . 1 1 89 89 LYS CA C 13 56.297 . . . . . . A 87 LYS CA . 25447 1 957 . 1 1 89 89 LYS CB C 13 33.276 . . . . . . A 87 LYS CB . 25447 1 958 . 1 1 89 89 LYS CG C 13 24.719 . . . . . . A 87 LYS CG . 25447 1 959 . 1 1 89 89 LYS CD C 13 29.341 . . . . . . A 87 LYS CD . 25447 1 960 . 1 1 89 89 LYS CE C 13 42.116 . . . . . . A 87 LYS CE . 25447 1 961 . 1 1 89 89 LYS N N 15 121.796 . . . . . . A 87 LYS N . 25447 1 962 . 1 1 90 90 LEU H H 1 8.444 . . . . . . A 88 LEU H . 25447 1 963 . 1 1 90 90 LEU HA H 1 3.907 . . . . . . A 88 LEU HA . 25447 1 964 . 1 1 90 90 LEU HB2 H 1 2.191 . . . . . . A 88 LEU HB# . 25447 1 965 . 1 1 90 90 LEU HB3 H 1 2.191 . . . . . . A 88 LEU HB# . 25447 1 966 . 1 1 90 90 LEU HD11 H 1 0.720 . . . . . . A 88 LEU HD# . 25447 1 967 . 1 1 90 90 LEU HD12 H 1 0.720 . . . . . . A 88 LEU HD# . 25447 1 968 . 1 1 90 90 LEU HD13 H 1 0.720 . . . . . . A 88 LEU HD# . 25447 1 969 . 1 1 90 90 LEU HD21 H 1 0.720 . . . . . . A 88 LEU HD# . 25447 1 970 . 1 1 90 90 LEU HD22 H 1 0.720 . . . . . . A 88 LEU HD# . 25447 1 971 . 1 1 90 90 LEU HD23 H 1 0.720 . . . . . . A 88 LEU HD# . 25447 1 972 . 1 1 90 90 LEU CA C 13 55.772 . . . . . . A 88 LEU CA . 25447 1 973 . 1 1 90 90 LEU CB C 13 42.472 . . . . . . A 88 LEU CB . 25447 1 974 . 1 1 90 90 LEU CD1 C 13 21.961 . . . . . . A 88 LEU CD1 . 25447 1 975 . 1 1 90 90 LEU CD2 C 13 21.961 . . . . . . A 88 LEU CD2 . 25447 1 976 . 1 1 90 90 LEU N N 15 125.576 . . . . . . A 88 LEU N . 25447 1 977 . 1 1 91 91 GLN H H 1 7.892 . . . . . . A 89 GLN H . 25447 1 978 . 1 1 91 91 GLN CA C 13 57.898 . . . . . . A 89 GLN CA . 25447 1 979 . 1 1 91 91 GLN CB C 13 31.489 . . . . . . A 89 GLN CB . 25447 1 980 . 1 1 91 91 GLN N N 15 126.869 . . . . . . A 89 GLN N . 25447 1 stop_ save_