data_15564 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15564 _Entry.Title ; GFT NMR based resonance assignment of membrane proteins: application to subunit c of E. coli F1F0 ATP synthase in LPPG micelles ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-11-26 _Entry.Accession_date 2007-11-26 _Entry.Last_release_date 2007-11-27 _Entry.Original_release_date 2007-11-27 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.0.8.109 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Qi Zhang . . . . 15564 2 Hanudatta Atreya . . . . 15564 3 Doug Kamen . . . . 15564 4 Mark Girvin . . . . 15564 5 Thomas Szypersk . . . . 15564 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 'PSI, Protein Structure Initiative' 'New York Consortium on Membrane Protein Structure' . 15564 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15564 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 261 15564 '15N chemical shifts' 80 15564 '1H chemical shifts' 575 15564 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 3 . . 2022-03-30 2007-11-26 update BMRB 'update Polymer_type' 15564 2 . . 2008-07-07 2007-11-26 update BMRB 'complete entry citation' 15564 1 . . 2007-12-27 2007-11-26 original author 'original release' 15564 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15564 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 18273680 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; GFT projection NMR based resonance assignment of membrane proteins: application to subunit C of E. coli F(1)F (0) ATP synthase in LPPG micelles ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 40 _Citation.Journal_issue 3 _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 157 _Citation.Page_last 163 _Citation.Year 2008 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Qi Zhang . . . . 15564 1 2 Hanudatta Atreya . S. . . 15564 1 3 Douglas Kamen . E. . . 15564 1 4 Mark Girvin . E. . . 15564 1 5 Thomas Szyperski . . . . 15564 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15564 _Assembly.ID 1 _Assembly.Name 'subunit c of E. coli F1F0 ATP synthas' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'subunit c' 1 $subunit_c_of_E._coli_F1F0_ATP_synthas A . yes native no no . . . 15564 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_subunit_c_of_E._coli_F1F0_ATP_synthas _Entity.Sf_category entity _Entity.Sf_framecode subunit_c_of_E._coli_F1F0_ATP_synthas _Entity.Entry_ID 15564 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name subunit_c_of_E._coli_F1F0_ATP_synthas _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MENLNMDLLYMAAAVMMGLA AIGAAIGIGILGGKFLEGAA RQPDLIPLLRTQFFIVMGLV NAIPMIAVGLGLYVMFAVA ; _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 79 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 15564 1 2 . GLU . 15564 1 3 . ASN . 15564 1 4 . LEU . 15564 1 5 . ASN . 15564 1 6 . MET . 15564 1 7 . ASP . 15564 1 8 . LEU . 15564 1 9 . LEU . 15564 1 10 . TYR . 15564 1 11 . MET . 15564 1 12 . ALA . 15564 1 13 . ALA . 15564 1 14 . ALA . 15564 1 15 . VAL . 15564 1 16 . MET . 15564 1 17 . MET . 15564 1 18 . GLY . 15564 1 19 . LEU . 15564 1 20 . ALA . 15564 1 21 . ALA . 15564 1 22 . ILE . 15564 1 23 . GLY . 15564 1 24 . ALA . 15564 1 25 . ALA . 15564 1 26 . ILE . 15564 1 27 . GLY . 15564 1 28 . ILE . 15564 1 29 . GLY . 15564 1 30 . ILE . 15564 1 31 . LEU . 15564 1 32 . GLY . 15564 1 33 . GLY . 15564 1 34 . LYS . 15564 1 35 . PHE . 15564 1 36 . LEU . 15564 1 37 . GLU . 15564 1 38 . GLY . 15564 1 39 . ALA . 15564 1 40 . ALA . 15564 1 41 . ARG . 15564 1 42 . GLN . 15564 1 43 . PRO . 15564 1 44 . ASP . 15564 1 45 . LEU . 15564 1 46 . ILE . 15564 1 47 . PRO . 15564 1 48 . LEU . 15564 1 49 . LEU . 15564 1 50 . ARG . 15564 1 51 . THR . 15564 1 52 . GLN . 15564 1 53 . PHE . 15564 1 54 . PHE . 15564 1 55 . ILE . 15564 1 56 . VAL . 15564 1 57 . MET . 15564 1 58 . GLY . 15564 1 59 . LEU . 15564 1 60 . VAL . 15564 1 61 . ASN . 15564 1 62 . ALA . 15564 1 63 . ILE . 15564 1 64 . PRO . 15564 1 65 . MET . 15564 1 66 . ILE . 15564 1 67 . ALA . 15564 1 68 . VAL . 15564 1 69 . GLY . 15564 1 70 . LEU . 15564 1 71 . GLY . 15564 1 72 . LEU . 15564 1 73 . TYR . 15564 1 74 . VAL . 15564 1 75 . MET . 15564 1 76 . PHE . 15564 1 77 . ALA . 15564 1 78 . VAL . 15564 1 79 . ALA . 15564 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 . MET 1 1 15564 1 . GLU 2 2 15564 1 . ASN 3 3 15564 1 . LEU 4 4 15564 1 . ASN 5 5 15564 1 . MET 6 6 15564 1 . ASP 7 7 15564 1 . LEU 8 8 15564 1 . LEU 9 9 15564 1 . TYR 10 10 15564 1 . MET 11 11 15564 1 . ALA 12 12 15564 1 . ALA 13 13 15564 1 . ALA 14 14 15564 1 . VAL 15 15 15564 1 . MET 16 16 15564 1 . MET 17 17 15564 1 . GLY 18 18 15564 1 . LEU 19 19 15564 1 . ALA 20 20 15564 1 . ALA 21 21 15564 1 . ILE 22 22 15564 1 . GLY 23 23 15564 1 . ALA 24 24 15564 1 . ALA 25 25 15564 1 . ILE 26 26 15564 1 . GLY 27 27 15564 1 . ILE 28 28 15564 1 . GLY 29 29 15564 1 . ILE 30 30 15564 1 . LEU 31 31 15564 1 . GLY 32 32 15564 1 . GLY 33 33 15564 1 . LYS 34 34 15564 1 . PHE 35 35 15564 1 . LEU 36 36 15564 1 . GLU 37 37 15564 1 . GLY 38 38 15564 1 . ALA 39 39 15564 1 . ALA 40 40 15564 1 . ARG 41 41 15564 1 . GLN 42 42 15564 1 . PRO 43 43 15564 1 . ASP 44 44 15564 1 . LEU 45 45 15564 1 . ILE 46 46 15564 1 . PRO 47 47 15564 1 . LEU 48 48 15564 1 . LEU 49 49 15564 1 . ARG 50 50 15564 1 . THR 51 51 15564 1 . GLN 52 52 15564 1 . PHE 53 53 15564 1 . PHE 54 54 15564 1 . ILE 55 55 15564 1 . VAL 56 56 15564 1 . MET 57 57 15564 1 . GLY 58 58 15564 1 . LEU 59 59 15564 1 . VAL 60 60 15564 1 . ASN 61 61 15564 1 . ALA 62 62 15564 1 . ILE 63 63 15564 1 . PRO 64 64 15564 1 . MET 65 65 15564 1 . ILE 66 66 15564 1 . ALA 67 67 15564 1 . VAL 68 68 15564 1 . GLY 69 69 15564 1 . LEU 70 70 15564 1 . GLY 71 71 15564 1 . LEU 72 72 15564 1 . TYR 73 73 15564 1 . VAL 74 74 15564 1 . MET 75 75 15564 1 . PHE 76 76 15564 1 . ALA 77 77 15564 1 . VAL 78 78 15564 1 . ALA 79 79 15564 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 15564 _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 $subunit_c_of_E._coli_F1F0_ATP_synthas . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . 15564 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 15564 _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 $subunit_c_of_E._coli_F1F0_ATP_synthas . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . 'pEt 17b' . . . 15564 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15564 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'subunit c of E. coli F1F0 ATP synthas' '[U-99% 13C; U-99% 15N]' . . 1 $subunit_c_of_E._coli_F1F0_ATP_synthas . . 0.9 . . mM . . . . 15564 1 2 K-PO_4 . . . . . . . 50 . . mM . . . . 15564 1 3 H2O . . . . . . . 90 . . % . . . . 15564 1 4 D2O . . . . . . . 10 . . % . . . . 15564 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 15564 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 15564 1 pH 7.0 . pH 15564 1 pressure 1 . atm 15564 1 temperature 320 . K 15564 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 15564 _Software.ID 1 _Software.Type . _Software.Name XEASY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 15564 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 15564 1 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 15564 _Software.ID 2 _Software.Type . _Software.Name VNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 15564 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 15564 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15564 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15564 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 15564 3 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 15564 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 15564 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 750 . . . 15564 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 15564 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 15564 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 15564 1 3 '(3,2)D HNNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 15564 1 4 '(4,2)D HACA(CO)NHN' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 15564 1 5 'L-(4,3)D HNNCabCa' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 15564 1 6 'L-(4,3)D HNN(CO)CabCa' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 15564 1 7 '(4,3)D HCCH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 15564 1 8 '3D 15N,13Calip,13Caro-resolved [1H,1H]-NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 15564 1 9 '(5,3)D HN{N,CO}{CabCa}}' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 15564 1 10 '(5,3)D {CabCa}{CON}HN' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 15564 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 15564 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.66 internal indirect 0.251449530 . . . . . 15564 1 H 1 water protons . . . . ppm 4.66 internal direct 1.000000000 . . . . . 15564 1 N 15 water protons . . . . ppm 4.66 internal indirect 0.101329118 . . . . . 15564 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 15564 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15564 1 2 '2D 1H-13C HSQC' . . . 15564 1 3 '(3,2)D HNNCO' . . . 15564 1 4 '(4,2)D HACA(CO)NHN' . . . 15564 1 5 'L-(4,3)D HNNCabCa' . . . 15564 1 6 'L-(4,3)D HNN(CO)CabCa' . . . 15564 1 7 '(4,3)D HCCH' . . . 15564 1 8 '3D 15N,13Calip,13Caro-resolved [1H,1H]-NOESY' . . . 15564 1 9 '(5,3)D HN{N,CO}{CabCa}}' . . . 15564 1 10 '(5,3)D {CabCa}{CON}HN' . . . 15564 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XEASY . . 15564 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET H H 1 8.799 0.000 . 1 . . . . . 1 MET H . 15564 1 2 . 1 . 1 1 1 MET HA H 1 4.621 0.000 . 1 . . . . . 1 MET HA . 15564 1 3 . 1 . 1 1 1 MET HB2 H 1 2.264 0.000 . 2 . . . . . 1 MET HB2 . 15564 1 4 . 1 . 1 1 1 MET HB3 H 1 2.264 0.000 . 2 . . . . . 1 MET HB3 . 15564 1 5 . 1 . 1 1 1 MET HG2 H 1 2.350 0.000 . 2 . . . . . 1 MET HG2 . 15564 1 6 . 1 . 1 1 1 MET HG3 H 1 2.780 0.000 . 2 . . . . . 1 MET HG3 . 15564 1 7 . 1 . 1 1 1 MET CA C 13 55.479 0.000 . 1 . . . . . 1 MET CA . 15564 1 8 . 1 . 1 1 1 MET CB C 13 33.257 0.000 . 1 . . . . . 1 MET CB . 15564 1 9 . 1 . 1 1 1 MET CG C 13 32.073 0.000 . 1 . . . . . 1 MET CG . 15564 1 10 . 1 . 1 1 1 MET N N 15 129.736 0.000 . 1 . . . . . 1 MET N . 15564 1 11 . 1 . 1 2 2 GLU H H 1 9.049 0.000 . 1 . . . . . 2 GLU H . 15564 1 12 . 1 . 1 2 2 GLU HA H 1 4.423 0.000 . 1 . . . . . 2 GLU HA . 15564 1 13 . 1 . 1 2 2 GLU HB2 H 1 2.197 0.000 . 2 . . . . . 2 GLU HB2 . 15564 1 14 . 1 . 1 2 2 GLU HB3 H 1 2.262 0.000 . 2 . . . . . 2 GLU HB3 . 15564 1 15 . 1 . 1 2 2 GLU HG2 H 1 2.479 0.000 . 2 . . . . . 2 GLU HG2 . 15564 1 16 . 1 . 1 2 2 GLU HG3 H 1 2.479 0.000 . 2 . . . . . 2 GLU HG3 . 15564 1 17 . 1 . 1 2 2 GLU CA C 13 58.072 0.000 . 1 . . . . . 2 GLU CA . 15564 1 18 . 1 . 1 2 2 GLU CB C 13 29.613 0.000 . 1 . . . . . 2 GLU CB . 15564 1 19 . 1 . 1 2 2 GLU CG C 13 36.179 0.000 . 1 . . . . . 2 GLU CG . 15564 1 20 . 1 . 1 2 2 GLU N N 15 120.375 0.000 . 1 . . . . . 2 GLU N . 15564 1 21 . 1 . 1 3 3 ASN H H 1 8.265 0.000 . 1 . . . . . 3 ASN H . 15564 1 22 . 1 . 1 3 3 ASN HA H 1 4.942 0.000 . 1 . . . . . 3 ASN HA . 15564 1 23 . 1 . 1 3 3 ASN HB2 H 1 3.120 0.000 . 2 . . . . . 3 ASN HB2 . 15564 1 24 . 1 . 1 3 3 ASN HB3 H 1 2.923 0.000 . 2 . . . . . 3 ASN HB3 . 15564 1 25 . 1 . 1 3 3 ASN HD21 H 1 7.754 0.000 . 2 . . . . . 3 ASN HD21 . 15564 1 26 . 1 . 1 3 3 ASN HD22 H 1 7.112 0.000 . 2 . . . . . 3 ASN HD22 . 15564 1 27 . 1 . 1 3 3 ASN CA C 13 53.651 0.000 . 1 . . . . . 3 ASN CA . 15564 1 28 . 1 . 1 3 3 ASN CB C 13 39.374 0.000 . 1 . . . . . 3 ASN CB . 15564 1 29 . 1 . 1 3 3 ASN N N 15 115.827 0.000 . 1 . . . . . 3 ASN N . 15564 1 30 . 1 . 1 3 3 ASN ND2 N 15 113.075 0.000 . 1 . . . . . 3 ASN ND2 . 15564 1 31 . 1 . 1 4 4 LEU H H 1 7.846 0.000 . 1 . . . . . 4 LEU H . 15564 1 32 . 1 . 1 4 4 LEU HA H 1 4.512 0.000 . 1 . . . . . 4 LEU HA . 15564 1 33 . 1 . 1 4 4 LEU HB2 H 1 1.944 0.000 . 2 . . . . . 4 LEU HB2 . 15564 1 34 . 1 . 1 4 4 LEU HB3 H 1 1.758 0.000 . 2 . . . . . 4 LEU HB3 . 15564 1 35 . 1 . 1 4 4 LEU HD11 H 1 1.152 0.000 . 2 . . . . . 4 LEU QD1 . 15564 1 36 . 1 . 1 4 4 LEU HD12 H 1 1.152 0.000 . 2 . . . . . 4 LEU QD1 . 15564 1 37 . 1 . 1 4 4 LEU HD13 H 1 1.152 0.000 . 2 . . . . . 4 LEU QD1 . 15564 1 38 . 1 . 1 4 4 LEU HD21 H 1 1.078 0.000 . 2 . . . . . 4 LEU QD2 . 15564 1 39 . 1 . 1 4 4 LEU HD22 H 1 1.078 0.000 . 2 . . . . . 4 LEU QD2 . 15564 1 40 . 1 . 1 4 4 LEU HD23 H 1 1.078 0.000 . 2 . . . . . 4 LEU QD2 . 15564 1 41 . 1 . 1 4 4 LEU HG H 1 1.475 0.000 . 1 . . . . . 4 LEU HG . 15564 1 42 . 1 . 1 4 4 LEU CA C 13 55.275 0.000 . 1 . . . . . 4 LEU CA . 15564 1 43 . 1 . 1 4 4 LEU CB C 13 42.444 0.000 . 1 . . . . . 4 LEU CB . 15564 1 44 . 1 . 1 4 4 LEU CD1 C 13 24.733 0.000 . 1 . . . . . 4 LEU CD1 . 15564 1 45 . 1 . 1 4 4 LEU CD2 C 13 24.103 0.000 . 1 . . . . . 4 LEU CD2 . 15564 1 46 . 1 . 1 4 4 LEU CG C 13 26.773 0.000 . 1 . . . . . 4 LEU CG . 15564 1 47 . 1 . 1 4 4 LEU N N 15 121.207 0.000 . 1 . . . . . 4 LEU N . 15564 1 48 . 1 . 1 5 5 ASN H H 1 7.963 0.000 . 1 . . . . . 5 ASN H . 15564 1 49 . 1 . 1 5 5 ASN HA H 1 4.955 0.000 . 1 . . . . . 5 ASN HA . 15564 1 50 . 1 . 1 5 5 ASN HB2 H 1 3.163 0.000 . 2 . . . . . 5 ASN HB2 . 15564 1 51 . 1 . 1 5 5 ASN HB3 H 1 3.163 0.000 . 2 . . . . . 5 ASN HB3 . 15564 1 52 . 1 . 1 5 5 ASN HD21 H 1 7.761 0.000 . 2 . . . . . 5 ASN HD21 . 15564 1 53 . 1 . 1 5 5 ASN HD22 H 1 7.124 0.000 . 2 . . . . . 5 ASN HD22 . 15564 1 54 . 1 . 1 5 5 ASN CA C 13 52.737 0.000 . 1 . . . . . 5 ASN CA . 15564 1 55 . 1 . 1 5 5 ASN CB C 13 39.129 0.000 . 1 . . . . . 5 ASN CB . 15564 1 56 . 1 . 1 5 5 ASN N N 15 120.224 0.000 . 1 . . . . . 5 ASN N . 15564 1 57 . 1 . 1 5 5 ASN ND2 N 15 111.657 0.000 . 1 . . . . . 5 ASN ND2 . 15564 1 58 . 1 . 1 6 6 MET H H 1 8.713 0.000 . 1 . . . . . 6 MET H . 15564 1 59 . 1 . 1 6 6 MET HA H 1 4.521 0.000 . 1 . . . . . 6 MET HA . 15564 1 60 . 1 . 1 6 6 MET HB2 H 1 2.264 0.000 . 2 . . . . . 6 MET HB2 . 15564 1 61 . 1 . 1 6 6 MET HB3 H 1 2.264 0.000 . 2 . . . . . 6 MET HB3 . 15564 1 62 . 1 . 1 6 6 MET HG2 H 1 2.909 0.000 . 2 . . . . . 6 MET HG2 . 15564 1 63 . 1 . 1 6 6 MET HG3 H 1 2.792 0.000 . 2 . . . . . 6 MET HG3 . 15564 1 64 . 1 . 1 6 6 MET CA C 13 56.729 0.000 . 1 . . . . . 6 MET CA . 15564 1 65 . 1 . 1 6 6 MET CB C 13 32.107 0.000 . 1 . . . . . 6 MET CB . 15564 1 66 . 1 . 1 6 6 MET CG C 13 32.599 0.000 . 1 . . . . . 6 MET CG . 15564 1 67 . 1 . 1 6 6 MET N N 15 121.555 0.000 . 1 . . . . . 6 MET N . 15564 1 68 . 1 . 1 7 7 ASP H H 1 8.430 0.000 . 1 . . . . . 7 ASP H . 15564 1 69 . 1 . 1 7 7 ASP HA H 1 4.725 0.000 . 1 . . . . . 7 ASP HA . 15564 1 70 . 1 . 1 7 7 ASP HB2 H 1 3.005 0.000 . 2 . . . . . 7 ASP HB2 . 15564 1 71 . 1 . 1 7 7 ASP HB3 H 1 2.944 0.000 . 2 . . . . . 7 ASP HB3 . 15564 1 72 . 1 . 1 7 7 ASP CA C 13 57.363 0.000 . 1 . . . . . 7 ASP CA . 15564 1 73 . 1 . 1 7 7 ASP CB C 13 40.132 0.000 . 1 . . . . . 7 ASP CB . 15564 1 74 . 1 . 1 7 7 ASP N N 15 120.122 0.000 . 1 . . . . . 7 ASP N . 15564 1 75 . 1 . 1 8 8 LEU H H 1 8.103 0.000 . 1 . . . . . 8 LEU H . 15564 1 76 . 1 . 1 8 8 LEU HA H 1 4.399 0.000 . 1 . . . . . 8 LEU HA . 15564 1 77 . 1 . 1 8 8 LEU HB2 H 1 2.064 0.000 . 2 . . . . . 8 LEU HB2 . 15564 1 78 . 1 . 1 8 8 LEU HB3 H 1 1.889 0.000 . 2 . . . . . 8 LEU HB3 . 15564 1 79 . 1 . 1 8 8 LEU HD11 H 1 1.237 0.014 . 2 . . . . . 8 LEU QD1 . 15564 1 80 . 1 . 1 8 8 LEU HD12 H 1 1.237 0.014 . 2 . . . . . 8 LEU QD1 . 15564 1 81 . 1 . 1 8 8 LEU HD13 H 1 1.237 0.014 . 2 . . . . . 8 LEU QD1 . 15564 1 82 . 1 . 1 8 8 LEU HD21 H 1 1.172 0.014 . 2 . . . . . 8 LEU QD2 . 15564 1 83 . 1 . 1 8 8 LEU HD22 H 1 1.172 0.014 . 2 . . . . . 8 LEU QD2 . 15564 1 84 . 1 . 1 8 8 LEU HD23 H 1 1.172 0.014 . 2 . . . . . 8 LEU QD2 . 15564 1 85 . 1 . 1 8 8 LEU HG H 1 1.479 0.000 . 1 . . . . . 8 LEU HG . 15564 1 86 . 1 . 1 8 8 LEU CA C 13 57.898 0.000 . 1 . . . . . 8 LEU CA . 15564 1 87 . 1 . 1 8 8 LEU CB C 13 42.182 0.000 . 1 . . . . . 8 LEU CB . 15564 1 88 . 1 . 1 8 8 LEU CD1 C 13 25.384 0.000 . 1 . . . . . 8 LEU CD1 . 15564 1 89 . 1 . 1 8 8 LEU CD2 C 13 24.885 0.000 . 1 . . . . . 8 LEU CD2 . 15564 1 90 . 1 . 1 8 8 LEU CG C 13 26.773 0.000 . 1 . . . . . 8 LEU CG . 15564 1 91 . 1 . 1 8 8 LEU N N 15 120.728 0.000 . 1 . . . . . 8 LEU N . 15564 1 92 . 1 . 1 9 9 LEU H H 1 7.743 0.000 . 1 . . . . . 9 LEU H . 15564 1 93 . 1 . 1 9 9 LEU HA H 1 4.248 0.000 . 1 . . . . . 9 LEU HA . 15564 1 94 . 1 . 1 9 9 LEU HB2 H 1 2.007 0.000 . 2 . . . . . 9 LEU HB2 . 15564 1 95 . 1 . 1 9 9 LEU HB3 H 1 1.863 0.000 . 2 . . . . . 9 LEU HB3 . 15564 1 96 . 1 . 1 9 9 LEU HD11 H 1 1.172 0.014 . 2 . . . . . 9 LEU QD1 . 15564 1 97 . 1 . 1 9 9 LEU HD12 H 1 1.172 0.014 . 2 . . . . . 9 LEU QD1 . 15564 1 98 . 1 . 1 9 9 LEU HD13 H 1 1.172 0.014 . 2 . . . . . 9 LEU QD1 . 15564 1 99 . 1 . 1 9 9 LEU HD21 H 1 1.066 0.000 . 2 . . . . . 9 LEU QD2 . 15564 1 100 . 1 . 1 9 9 LEU HD22 H 1 1.066 0.000 . 2 . . . . . 9 LEU QD2 . 15564 1 101 . 1 . 1 9 9 LEU HD23 H 1 1.066 0.000 . 2 . . . . . 9 LEU QD2 . 15564 1 102 . 1 . 1 9 9 LEU HG H 1 1.493 0.000 . 1 . . . . . 9 LEU HG . 15564 1 103 . 1 . 1 9 9 LEU CA C 13 58.161 0.000 . 1 . . . . . 9 LEU CA . 15564 1 104 . 1 . 1 9 9 LEU CB C 13 41.227 0.000 . 1 . . . . . 9 LEU CB . 15564 1 105 . 1 . 1 9 9 LEU CD1 C 13 24.473 0.000 . 1 . . . . . 9 LEU CD1 . 15564 1 106 . 1 . 1 9 9 LEU CD2 C 13 24.103 0.000 . 1 . . . . . 9 LEU CD2 . 15564 1 107 . 1 . 1 9 9 LEU CG C 13 26.773 0.000 . 1 . . . . . 9 LEU CG . 15564 1 108 . 1 . 1 9 9 LEU N N 15 118.886 0.000 . 1 . . . . . 9 LEU N . 15564 1 109 . 1 . 1 10 10 TYR H H 1 8.240 0.000 . 1 . . . . . 10 TYR H . 15564 1 110 . 1 . 1 10 10 TYR HA H 1 4.527 0.000 . 1 . . . . . 10 TYR HA . 15564 1 111 . 1 . 1 10 10 TYR HB2 H 1 3.420 0.000 . 2 . . . . . 10 TYR HB2 . 15564 1 112 . 1 . 1 10 10 TYR HB3 H 1 3.359 0.000 . 2 . . . . . 10 TYR HB3 . 15564 1 113 . 1 . 1 10 10 TYR HD1 H 1 7.358 0.000 . 1 . . . . . 10 TYR HD1 . 15564 1 114 . 1 . 1 10 10 TYR HD2 H 1 7.358 0.000 . 1 . . . . . 10 TYR HD2 . 15564 1 115 . 1 . 1 10 10 TYR HE1 H 1 7.003 0.000 . 1 . . . . . 10 TYR HE1 . 15564 1 116 . 1 . 1 10 10 TYR HE2 H 1 7.003 0.000 . 1 . . . . . 10 TYR HE2 . 15564 1 117 . 1 . 1 10 10 TYR CA C 13 60.768 0.000 . 1 . . . . . 10 TYR CA . 15564 1 118 . 1 . 1 10 10 TYR CB C 13 37.524 0.000 . 1 . . . . . 10 TYR CB . 15564 1 119 . 1 . 1 10 10 TYR CD1 C 13 131.602 0.000 . 1 . . . . . 10 TYR CD1 . 15564 1 120 . 1 . 1 10 10 TYR CE1 C 13 117.642 0.000 . 1 . . . . . 10 TYR CE1 . 15564 1 121 . 1 . 1 10 10 TYR N N 15 118.467 0.000 . 1 . . . . . 10 TYR N . 15564 1 122 . 1 . 1 11 11 MET H H 1 8.236 0.000 . 1 . . . . . 11 MET H . 15564 1 123 . 1 . 1 11 11 MET HA H 1 4.434 0.000 . 1 . . . . . 11 MET HA . 15564 1 124 . 1 . 1 11 11 MET HB2 H 1 2.423 0.000 . 2 . . . . . 11 MET HB2 . 15564 1 125 . 1 . 1 11 11 MET HB3 H 1 2.558 0.000 . 2 . . . . . 11 MET HB3 . 15564 1 126 . 1 . 1 11 11 MET HG2 H 1 2.795 0.014 . 2 . . . . . 11 MET HG2 . 15564 1 127 . 1 . 1 11 11 MET HG3 H 1 3.013 0.000 . 2 . . . . . 11 MET HG3 . 15564 1 128 . 1 . 1 11 11 MET CA C 13 58.830 0.000 . 1 . . . . . 11 MET CA . 15564 1 129 . 1 . 1 11 11 MET CB C 13 32.638 0.000 . 1 . . . . . 11 MET CB . 15564 1 130 . 1 . 1 11 11 MET CG C 13 32.465 0.000 . 1 . . . . . 11 MET CG . 15564 1 131 . 1 . 1 11 11 MET N N 15 120.186 0.000 . 1 . . . . . 11 MET N . 15564 1 132 . 1 . 1 12 12 ALA H H 1 8.531 0.000 . 1 . . . . . 12 ALA H . 15564 1 133 . 1 . 1 12 12 ALA HA H 1 4.222 0.000 . 1 . . . . . 12 ALA HA . 15564 1 134 . 1 . 1 12 12 ALA HB1 H 1 1.737 0.000 . 1 . . . . . 12 ALA QB . 15564 1 135 . 1 . 1 12 12 ALA HB2 H 1 1.737 0.000 . 1 . . . . . 12 ALA QB . 15564 1 136 . 1 . 1 12 12 ALA HB3 H 1 1.737 0.000 . 1 . . . . . 12 ALA QB . 15564 1 137 . 1 . 1 12 12 ALA CA C 13 55.308 0.000 . 1 . . . . . 12 ALA CA . 15564 1 138 . 1 . 1 12 12 ALA CB C 13 18.620 0.000 . 1 . . . . . 12 ALA CB . 15564 1 139 . 1 . 1 12 12 ALA N N 15 122.005 0.000 . 1 . . . . . 12 ALA N . 15564 1 140 . 1 . 1 13 13 ALA H H 1 8.525 0.014 . 1 . . . . . 13 ALA H . 15564 1 141 . 1 . 1 13 13 ALA HA H 1 4.188 0.000 . 1 . . . . . 13 ALA HA . 15564 1 142 . 1 . 1 13 13 ALA HB1 H 1 1.745 0.000 . 1 . . . . . 13 ALA QB . 15564 1 143 . 1 . 1 13 13 ALA HB2 H 1 1.745 0.000 . 1 . . . . . 13 ALA QB . 15564 1 144 . 1 . 1 13 13 ALA HB3 H 1 1.745 0.000 . 1 . . . . . 13 ALA QB . 15564 1 145 . 1 . 1 13 13 ALA CA C 13 55.315 0.000 . 1 . . . . . 13 ALA CA . 15564 1 146 . 1 . 1 13 13 ALA CB C 13 18.262 0.000 . 1 . . . . . 13 ALA CB . 15564 1 147 . 1 . 1 13 13 ALA N N 15 119.967 0.000 . 1 . . . . . 13 ALA N . 15564 1 148 . 1 . 1 14 14 ALA H H 1 8.142 0.000 . 1 . . . . . 14 ALA H . 15564 1 149 . 1 . 1 14 14 ALA HA H 1 4.340 0.000 . 1 . . . . . 14 ALA HA . 15564 1 150 . 1 . 1 14 14 ALA HB1 H 1 1.767 0.000 . 1 . . . . . 14 ALA QB . 15564 1 151 . 1 . 1 14 14 ALA HB2 H 1 1.767 0.000 . 1 . . . . . 14 ALA QB . 15564 1 152 . 1 . 1 14 14 ALA HB3 H 1 1.767 0.000 . 1 . . . . . 14 ALA QB . 15564 1 153 . 1 . 1 14 14 ALA CA C 13 55.373 0.000 . 1 . . . . . 14 ALA CA . 15564 1 154 . 1 . 1 14 14 ALA CB C 13 18.165 0.000 . 1 . . . . . 14 ALA CB . 15564 1 155 . 1 . 1 14 14 ALA N N 15 120.535 0.000 . 1 . . . . . 14 ALA N . 15564 1 156 . 1 . 1 15 15 VAL H H 1 8.303 0.000 . 1 . . . . . 15 VAL H . 15564 1 157 . 1 . 1 15 15 VAL HA H 1 3.988 0.000 . 1 . . . . . 15 VAL HA . 15564 1 158 . 1 . 1 15 15 VAL HB H 1 2.478 0.000 . 1 . . . . . 15 VAL HB . 15564 1 159 . 1 . 1 15 15 VAL HG11 H 1 1.356 0.000 . 2 . . . . . 15 VAL QG1 . 15564 1 160 . 1 . 1 15 15 VAL HG12 H 1 1.356 0.000 . 2 . . . . . 15 VAL QG1 . 15564 1 161 . 1 . 1 15 15 VAL HG13 H 1 1.356 0.000 . 2 . . . . . 15 VAL QG1 . 15564 1 162 . 1 . 1 15 15 VAL HG21 H 1 1.178 0.014 . 2 . . . . . 15 VAL QG2 . 15564 1 163 . 1 . 1 15 15 VAL HG22 H 1 1.178 0.014 . 2 . . . . . 15 VAL QG2 . 15564 1 164 . 1 . 1 15 15 VAL HG23 H 1 1.178 0.014 . 2 . . . . . 15 VAL QG2 . 15564 1 165 . 1 . 1 15 15 VAL CA C 13 66.093 0.000 . 1 . . . . . 15 VAL CA . 15564 1 166 . 1 . 1 15 15 VAL CB C 13 31.759 0.000 . 1 . . . . . 15 VAL CB . 15564 1 167 . 1 . 1 15 15 VAL CG1 C 13 23.150 0.000 . 1 . . . . . 15 VAL CG1 . 15564 1 168 . 1 . 1 15 15 VAL CG2 C 13 21.612 0.000 . 1 . . . . . 15 VAL CG2 . 15564 1 169 . 1 . 1 15 15 VAL N N 15 119.583 0.000 . 1 . . . . . 15 VAL N . 15564 1 170 . 1 . 1 16 16 MET H H 1 8.487 0.000 . 1 . . . . . 16 MET H . 15564 1 171 . 1 . 1 16 16 MET HA H 1 4.415 0.000 . 1 . . . . . 16 MET HA . 15564 1 172 . 1 . 1 16 16 MET HB2 H 1 2.312 0.000 . 2 . . . . . 16 MET HB2 . 15564 1 173 . 1 . 1 16 16 MET HB3 H 1 2.452 0.000 . 2 . . . . . 16 MET HB3 . 15564 1 174 . 1 . 1 16 16 MET HG2 H 1 2.873 0.000 . 2 . . . . . 16 MET HG2 . 15564 1 175 . 1 . 1 16 16 MET HG3 H 1 2.798 0.000 . 2 . . . . . 16 MET HG3 . 15564 1 176 . 1 . 1 16 16 MET CA C 13 58.922 0.000 . 1 . . . . . 16 MET CA . 15564 1 177 . 1 . 1 16 16 MET CB C 13 32.520 0.000 . 1 . . . . . 16 MET CB . 15564 1 178 . 1 . 1 16 16 MET CG C 13 33.045 0.000 . 1 . . . . . 16 MET CG . 15564 1 179 . 1 . 1 16 16 MET N N 15 118.886 0.000 . 1 . . . . . 16 MET N . 15564 1 180 . 1 . 1 17 17 MET H H 1 8.698 0.000 . 1 . . . . . 17 MET H . 15564 1 181 . 1 . 1 17 17 MET HA H 1 4.441 0.000 . 1 . . . . . 17 MET HA . 15564 1 182 . 1 . 1 17 17 MET HB2 H 1 2.308 0.014 . 2 . . . . . 17 MET HB2 . 15564 1 183 . 1 . 1 17 17 MET HB3 H 1 2.308 0.014 . 2 . . . . . 17 MET HB3 . 15564 1 184 . 1 . 1 17 17 MET HG2 H 1 2.454 0.014 . 2 . . . . . 17 MET HG2 . 15564 1 185 . 1 . 1 17 17 MET HG3 H 1 2.335 0.014 . 2 . . . . . 17 MET HG3 . 15564 1 186 . 1 . 1 17 17 MET CA C 13 58.738 0.000 . 1 . . . . . 17 MET CA . 15564 1 187 . 1 . 1 17 17 MET CB C 13 32.568 0.000 . 1 . . . . . 17 MET CB . 15564 1 188 . 1 . 1 17 17 MET CG C 13 32.073 0.000 . 1 . . . . . 17 MET CG . 15564 1 189 . 1 . 1 17 17 MET N N 15 117.899 0.000 . 1 . . . . . 17 MET N . 15564 1 190 . 1 . 1 18 18 GLY H H 1 8.296 0.000 . 1 . . . . . 18 GLY H . 15564 1 191 . 1 . 1 18 18 GLY HA2 H 1 4.118 0.000 . 2 . . . . . 18 GLY HA2 . 15564 1 192 . 1 . 1 18 18 GLY HA3 H 1 4.218 0.000 . 2 . . . . . 18 GLY HA3 . 15564 1 193 . 1 . 1 18 18 GLY CA C 13 47.197 0.000 . 1 . . . . . 18 GLY CA . 15564 1 194 . 1 . 1 18 18 GLY N N 15 106.740 0.000 . 1 . . . . . 18 GLY N . 15564 1 195 . 1 . 1 19 19 LEU H H 1 8.433 0.000 . 1 . . . . . 19 LEU H . 15564 1 196 . 1 . 1 19 19 LEU HA H 1 4.432 0.000 . 1 . . . . . 19 LEU HA . 15564 1 197 . 1 . 1 19 19 LEU HB2 H 1 2.217 0.000 . 2 . . . . . 19 LEU HB2 . 15564 1 198 . 1 . 1 19 19 LEU HB3 H 1 1.747 0.000 . 2 . . . . . 19 LEU HB3 . 15564 1 199 . 1 . 1 19 19 LEU HD11 H 1 1.132 0.000 . 2 . . . . . 19 LEU QD1 . 15564 1 200 . 1 . 1 19 19 LEU HD12 H 1 1.132 0.000 . 2 . . . . . 19 LEU QD1 . 15564 1 201 . 1 . 1 19 19 LEU HD13 H 1 1.132 0.000 . 2 . . . . . 19 LEU QD1 . 15564 1 202 . 1 . 1 19 19 LEU HD21 H 1 1.128 0.000 . 2 . . . . . 19 LEU QD2 . 15564 1 203 . 1 . 1 19 19 LEU HD22 H 1 1.128 0.000 . 2 . . . . . 19 LEU QD2 . 15564 1 204 . 1 . 1 19 19 LEU HD23 H 1 1.128 0.000 . 2 . . . . . 19 LEU QD2 . 15564 1 205 . 1 . 1 19 19 LEU HG H 1 2.156 0.000 . 1 . . . . . 19 LEU HG . 15564 1 206 . 1 . 1 19 19 LEU CA C 13 57.615 0.000 . 1 . . . . . 19 LEU CA . 15564 1 207 . 1 . 1 19 19 LEU CB C 13 42.093 0.000 . 1 . . . . . 19 LEU CB . 15564 1 208 . 1 . 1 19 19 LEU CD1 C 13 23.737 0.000 . 1 . . . . . 19 LEU CD1 . 15564 1 209 . 1 . 1 19 19 LEU CD2 C 13 23.732 0.000 . 1 . . . . . 19 LEU CD2 . 15564 1 210 . 1 . 1 19 19 LEU CG C 13 26.653 0.000 . 1 . . . . . 19 LEU CG . 15564 1 211 . 1 . 1 19 19 LEU N N 15 122.524 0.000 . 1 . . . . . 19 LEU N . 15564 1 212 . 1 . 1 20 20 ALA H H 1 8.576 0.000 . 1 . . . . . 20 ALA H . 15564 1 213 . 1 . 1 20 20 ALA HA H 1 4.222 0.000 . 1 . . . . . 20 ALA HA . 15564 1 214 . 1 . 1 20 20 ALA HB1 H 1 1.750 0.000 . 1 . . . . . 20 ALA QB . 15564 1 215 . 1 . 1 20 20 ALA HB2 H 1 1.750 0.000 . 1 . . . . . 20 ALA QB . 15564 1 216 . 1 . 1 20 20 ALA HB3 H 1 1.750 0.000 . 1 . . . . . 20 ALA QB . 15564 1 217 . 1 . 1 20 20 ALA CA C 13 55.466 0.000 . 1 . . . . . 20 ALA CA . 15564 1 218 . 1 . 1 20 20 ALA CB C 13 18.336 0.000 . 1 . . . . . 20 ALA CB . 15564 1 219 . 1 . 1 20 20 ALA N N 15 122.246 0.000 . 1 . . . . . 20 ALA N . 15564 1 220 . 1 . 1 21 21 ALA H H 1 8.109 0.000 . 1 . . . . . 21 ALA H . 15564 1 221 . 1 . 1 21 21 ALA HA H 1 4.377 0.000 . 1 . . . . . 21 ALA HA . 15564 1 222 . 1 . 1 21 21 ALA HB1 H 1 1.814 0.000 . 1 . . . . . 21 ALA QB . 15564 1 223 . 1 . 1 21 21 ALA HB2 H 1 1.814 0.000 . 1 . . . . . 21 ALA QB . 15564 1 224 . 1 . 1 21 21 ALA HB3 H 1 1.814 0.000 . 1 . . . . . 21 ALA QB . 15564 1 225 . 1 . 1 21 21 ALA CA C 13 55.160 0.000 . 1 . . . . . 21 ALA CA . 15564 1 226 . 1 . 1 21 21 ALA CB C 13 18.495 0.000 . 1 . . . . . 21 ALA CB . 15564 1 227 . 1 . 1 21 21 ALA N N 15 119.863 0.000 . 1 . . . . . 21 ALA N . 15564 1 228 . 1 . 1 22 22 ILE H H 1 7.962 0.000 . 1 . . . . . 22 ILE H . 15564 1 229 . 1 . 1 22 22 ILE HA H 1 4.141 0.000 . 1 . . . . . 22 ILE HA . 15564 1 230 . 1 . 1 22 22 ILE HB H 1 2.278 0.000 . 1 . . . . . 22 ILE HB . 15564 1 231 . 1 . 1 22 22 ILE HD11 H 1 1.122 0.000 . 1 . . . . . 22 ILE QD1 . 15564 1 232 . 1 . 1 22 22 ILE HD12 H 1 1.122 0.000 . 1 . . . . . 22 ILE QD1 . 15564 1 233 . 1 . 1 22 22 ILE HD13 H 1 1.122 0.000 . 1 . . . . . 22 ILE QD1 . 15564 1 234 . 1 . 1 22 22 ILE HG12 H 1 2.031 0.014 . 2 . . . . . 22 ILE HG12 . 15564 1 235 . 1 . 1 22 22 ILE HG13 H 1 1.479 0.000 . 2 . . . . . 22 ILE HG13 . 15564 1 236 . 1 . 1 22 22 ILE HG21 H 1 1.187 0.000 . 1 . . . . . 22 ILE QG2 . 15564 1 237 . 1 . 1 22 22 ILE HG22 H 1 1.187 0.000 . 1 . . . . . 22 ILE QG2 . 15564 1 238 . 1 . 1 22 22 ILE HG23 H 1 1.187 0.000 . 1 . . . . . 22 ILE QG2 . 15564 1 239 . 1 . 1 22 22 ILE CA C 13 64.229 0.000 . 1 . . . . . 22 ILE CA . 15564 1 240 . 1 . 1 22 22 ILE CB C 13 38.267 0.000 . 1 . . . . . 22 ILE CB . 15564 1 241 . 1 . 1 22 22 ILE CD1 C 13 13.533 0.000 . 1 . . . . . 22 ILE CD1 . 15564 1 242 . 1 . 1 22 22 ILE CG1 C 13 28.815 0.000 . 1 . . . . . 22 ILE CG1 . 15564 1 243 . 1 . 1 22 22 ILE CG2 C 13 17.686 0.000 . 1 . . . . . 22 ILE CG2 . 15564 1 244 . 1 . 1 22 22 ILE N N 15 119.522 0.000 . 1 . . . . . 22 ILE N . 15564 1 245 . 1 . 1 23 23 GLY H H 1 8.790 0.000 . 1 . . . . . 23 GLY H . 15564 1 246 . 1 . 1 23 23 GLY HA2 H 1 3.949 0.000 . 2 . . . . . 23 GLY HA2 . 15564 1 247 . 1 . 1 23 23 GLY HA3 H 1 3.861 0.000 . 2 . . . . . 23 GLY HA3 . 15564 1 248 . 1 . 1 23 23 GLY CA C 13 47.563 0.000 . 1 . . . . . 23 GLY CA . 15564 1 249 . 1 . 1 23 23 GLY N N 15 105.777 0.000 . 1 . . . . . 23 GLY N . 15564 1 250 . 1 . 1 24 24 ALA H H 1 8.693 0.000 . 1 . . . . . 24 ALA H . 15564 1 251 . 1 . 1 24 24 ALA HA H 1 4.340 0.000 . 1 . . . . . 24 ALA HA . 15564 1 252 . 1 . 1 24 24 ALA HB1 H 1 1.731 0.000 . 1 . . . . . 24 ALA QB . 15564 1 253 . 1 . 1 24 24 ALA HB2 H 1 1.731 0.000 . 1 . . . . . 24 ALA QB . 15564 1 254 . 1 . 1 24 24 ALA HB3 H 1 1.731 0.000 . 1 . . . . . 24 ALA QB . 15564 1 255 . 1 . 1 24 24 ALA CA C 13 55.142 0.000 . 1 . . . . . 24 ALA CA . 15564 1 256 . 1 . 1 24 24 ALA CB C 13 18.784 0.000 . 1 . . . . . 24 ALA CB . 15564 1 257 . 1 . 1 24 24 ALA N N 15 123.654 0.000 . 1 . . . . . 24 ALA N . 15564 1 258 . 1 . 1 25 25 ALA H H 1 7.954 0.000 . 1 . . . . . 25 ALA H . 15564 1 259 . 1 . 1 25 25 ALA HA H 1 4.360 0.014 . 1 . . . . . 25 ALA HA . 15564 1 260 . 1 . 1 25 25 ALA HB1 H 1 1.803 0.000 . 1 . . . . . 25 ALA QB . 15564 1 261 . 1 . 1 25 25 ALA HB2 H 1 1.803 0.000 . 1 . . . . . 25 ALA QB . 15564 1 262 . 1 . 1 25 25 ALA HB3 H 1 1.803 0.000 . 1 . . . . . 25 ALA QB . 15564 1 263 . 1 . 1 25 25 ALA CA C 13 54.869 0.000 . 1 . . . . . 25 ALA CA . 15564 1 264 . 1 . 1 25 25 ALA CB C 13 18.525 0.000 . 1 . . . . . 25 ALA CB . 15564 1 265 . 1 . 1 25 25 ALA N N 15 120.222 0.000 . 1 . . . . . 25 ALA N . 15564 1 266 . 1 . 1 26 26 ILE H H 1 8.228 0.000 . 1 . . . . . 26 ILE H . 15564 1 267 . 1 . 1 26 26 ILE HA H 1 4.233 0.000 . 1 . . . . . 26 ILE HA . 15564 1 268 . 1 . 1 26 26 ILE HB H 1 2.241 0.000 . 1 . . . . . 26 ILE HB . 15564 1 269 . 1 . 1 26 26 ILE HD11 H 1 1.086 0.000 . 1 . . . . . 26 ILE QD1 . 15564 1 270 . 1 . 1 26 26 ILE HD12 H 1 1.086 0.000 . 1 . . . . . 26 ILE QD1 . 15564 1 271 . 1 . 1 26 26 ILE HD13 H 1 1.086 0.000 . 1 . . . . . 26 ILE QD1 . 15564 1 272 . 1 . 1 26 26 ILE HG12 H 1 1.988 0.000 . 2 . . . . . 26 ILE HG12 . 15564 1 273 . 1 . 1 26 26 ILE HG13 H 1 1.504 0.000 . 2 . . . . . 26 ILE HG13 . 15564 1 274 . 1 . 1 26 26 ILE HG21 H 1 1.165 0.000 . 1 . . . . . 26 ILE QG2 . 15564 1 275 . 1 . 1 26 26 ILE HG22 H 1 1.165 0.000 . 1 . . . . . 26 ILE QG2 . 15564 1 276 . 1 . 1 26 26 ILE HG23 H 1 1.165 0.000 . 1 . . . . . 26 ILE QG2 . 15564 1 277 . 1 . 1 26 26 ILE CA C 13 63.416 0.000 . 1 . . . . . 26 ILE CA . 15564 1 278 . 1 . 1 26 26 ILE CB C 13 38.215 0.000 . 1 . . . . . 26 ILE CB . 15564 1 279 . 1 . 1 26 26 ILE CD1 C 13 13.413 0.000 . 1 . . . . . 26 ILE CD1 . 15564 1 280 . 1 . 1 26 26 ILE CG1 C 13 28.572 0.000 . 1 . . . . . 26 ILE CG1 . 15564 1 281 . 1 . 1 26 26 ILE CG2 C 13 17.573 0.000 . 1 . . . . . 26 ILE CG2 . 15564 1 282 . 1 . 1 26 26 ILE N N 15 116.735 0.000 . 1 . . . . . 26 ILE N . 15564 1 283 . 1 . 1 27 27 GLY H H 1 8.484 0.014 . 1 . . . . . 27 GLY H . 15564 1 284 . 1 . 1 27 27 GLY HA2 H 1 4.028 0.000 . 2 . . . . . 27 GLY HA2 . 15564 1 285 . 1 . 1 27 27 GLY HA3 H 1 4.137 0.014 . 2 . . . . . 27 GLY HA3 . 15564 1 286 . 1 . 1 27 27 GLY CA C 13 47.196 0.000 . 1 . . . . . 27 GLY CA . 15564 1 287 . 1 . 1 27 27 GLY N N 15 106.353 0.000 . 1 . . . . . 27 GLY N . 15564 1 288 . 1 . 1 28 28 ILE H H 1 8.611 0.000 . 1 . . . . . 28 ILE H . 15564 1 289 . 1 . 1 28 28 ILE HA H 1 4.098 0.000 . 1 . . . . . 28 ILE HA . 15564 1 290 . 1 . 1 28 28 ILE HB H 1 2.159 0.000 . 1 . . . . . 28 ILE HB . 15564 1 291 . 1 . 1 28 28 ILE HD11 H 1 1.095 0.000 . 1 . . . . . 28 ILE QD1 . 15564 1 292 . 1 . 1 28 28 ILE HD12 H 1 1.095 0.000 . 1 . . . . . 28 ILE QD1 . 15564 1 293 . 1 . 1 28 28 ILE HD13 H 1 1.095 0.000 . 1 . . . . . 28 ILE QD1 . 15564 1 294 . 1 . 1 28 28 ILE HG12 H 1 1.478 0.000 . 2 . . . . . 28 ILE HG12 . 15564 1 295 . 1 . 1 28 28 ILE HG13 H 1 1.905 0.000 . 2 . . . . . 28 ILE HG13 . 15564 1 296 . 1 . 1 28 28 ILE HG21 H 1 1.176 0.000 . 1 . . . . . 28 ILE QG2 . 15564 1 297 . 1 . 1 28 28 ILE HG22 H 1 1.176 0.000 . 1 . . . . . 28 ILE QG2 . 15564 1 298 . 1 . 1 28 28 ILE HG23 H 1 1.176 0.000 . 1 . . . . . 28 ILE QG2 . 15564 1 299 . 1 . 1 28 28 ILE CA C 13 64.202 0.000 . 1 . . . . . 28 ILE CA . 15564 1 300 . 1 . 1 28 28 ILE CB C 13 38.027 0.000 . 1 . . . . . 28 ILE CB . 15564 1 301 . 1 . 1 28 28 ILE CD1 C 13 13.413 0.000 . 1 . . . . . 28 ILE CD1 . 15564 1 302 . 1 . 1 28 28 ILE CG1 C 13 29.095 0.000 . 1 . . . . . 28 ILE CG1 . 15564 1 303 . 1 . 1 28 28 ILE CG2 C 13 17.886 0.000 . 1 . . . . . 28 ILE CG2 . 15564 1 304 . 1 . 1 28 28 ILE N N 15 120.694 0.000 . 1 . . . . . 28 ILE N . 15564 1 305 . 1 . 1 29 29 GLY H H 1 8.428 0.000 . 1 . . . . . 29 GLY H . 15564 1 306 . 1 . 1 29 29 GLY HA2 H 1 4.117 0.000 . 2 . . . . . 29 GLY HA2 . 15564 1 307 . 1 . 1 29 29 GLY HA3 H 1 4.117 0.000 . 2 . . . . . 29 GLY HA3 . 15564 1 308 . 1 . 1 29 29 GLY CA C 13 47.191 0.000 . 1 . . . . . 29 GLY CA . 15564 1 309 . 1 . 1 29 29 GLY N N 15 107.924 0.000 . 1 . . . . . 29 GLY N . 15564 1 310 . 1 . 1 30 30 ILE H H 1 8.056 0.000 . 1 . . . . . 30 ILE H . 15564 1 311 . 1 . 1 30 30 ILE HA H 1 4.252 0.000 . 1 . . . . . 30 ILE HA . 15564 1 312 . 1 . 1 30 30 ILE HB H 1 2.217 0.000 . 1 . . . . . 30 ILE HB . 15564 1 313 . 1 . 1 30 30 ILE HD11 H 1 1.116 0.000 . 1 . . . . . 30 ILE QD1 . 15564 1 314 . 1 . 1 30 30 ILE HD12 H 1 1.116 0.000 . 1 . . . . . 30 ILE QD1 . 15564 1 315 . 1 . 1 30 30 ILE HD13 H 1 1.116 0.000 . 1 . . . . . 30 ILE QD1 . 15564 1 316 . 1 . 1 30 30 ILE HG12 H 1 1.474 0.014 . 2 . . . . . 30 ILE HG12 . 15564 1 317 . 1 . 1 30 30 ILE HG13 H 1 1.940 0.000 . 2 . . . . . 30 ILE HG13 . 15564 1 318 . 1 . 1 30 30 ILE HG21 H 1 1.168 0.000 . 1 . . . . . 30 ILE QG2 . 15564 1 319 . 1 . 1 30 30 ILE HG22 H 1 1.168 0.000 . 1 . . . . . 30 ILE QG2 . 15564 1 320 . 1 . 1 30 30 ILE HG23 H 1 1.168 0.000 . 1 . . . . . 30 ILE QG2 . 15564 1 321 . 1 . 1 30 30 ILE CA C 13 63.571 0.000 . 1 . . . . . 30 ILE CA . 15564 1 322 . 1 . 1 30 30 ILE CB C 13 38.320 0.000 . 1 . . . . . 30 ILE CB . 15564 1 323 . 1 . 1 30 30 ILE CD1 C 13 13.413 0.000 . 1 . . . . . 30 ILE CD1 . 15564 1 324 . 1 . 1 30 30 ILE CG1 C 13 27.653 0.000 . 1 . . . . . 30 ILE CG1 . 15564 1 325 . 1 . 1 30 30 ILE CG2 C 13 17.722 0.000 . 1 . . . . . 30 ILE CG2 . 15564 1 326 . 1 . 1 30 30 ILE N N 15 121.222 0.000 . 1 . . . . . 30 ILE N . 15564 1 327 . 1 . 1 31 31 LEU H H 1 8.188 0.014 . 1 . . . . . 31 LEU H . 15564 1 328 . 1 . 1 31 31 LEU HA H 1 4.395 0.000 . 1 . . . . . 31 LEU HA . 15564 1 329 . 1 . 1 31 31 LEU HB2 H 1 2.071 0.000 . 2 . . . . . 31 LEU HB2 . 15564 1 330 . 1 . 1 31 31 LEU HB3 H 1 1.823 0.000 . 2 . . . . . 31 LEU HB3 . 15564 1 331 . 1 . 1 31 31 LEU HD11 H 1 1.189 0.000 . 2 . . . . . 31 LEU QD1 . 15564 1 332 . 1 . 1 31 31 LEU HD12 H 1 1.189 0.000 . 2 . . . . . 31 LEU QD1 . 15564 1 333 . 1 . 1 31 31 LEU HD13 H 1 1.189 0.000 . 2 . . . . . 31 LEU QD1 . 15564 1 334 . 1 . 1 31 31 LEU HD21 H 1 1.116 0.000 . 2 . . . . . 31 LEU QD2 . 15564 1 335 . 1 . 1 31 31 LEU HD22 H 1 1.116 0.000 . 2 . . . . . 31 LEU QD2 . 15564 1 336 . 1 . 1 31 31 LEU HD23 H 1 1.116 0.000 . 2 . . . . . 31 LEU QD2 . 15564 1 337 . 1 . 1 31 31 LEU HG H 1 1.489 0.000 . 1 . . . . . 31 LEU HG . 15564 1 338 . 1 . 1 31 31 LEU CA C 13 57.297 0.000 . 1 . . . . . 31 LEU CA . 15564 1 339 . 1 . 1 31 31 LEU CB C 13 42.182 0.000 . 1 . . . . . 31 LEU CB . 15564 1 340 . 1 . 1 31 31 LEU CD1 C 13 25.716 0.000 . 1 . . . . . 31 LEU CD1 . 15564 1 341 . 1 . 1 31 31 LEU CD2 C 13 23.675 0.000 . 1 . . . . . 31 LEU CD2 . 15564 1 342 . 1 . 1 31 31 LEU CG C 13 27.235 0.000 . 1 . . . . . 31 LEU CG . 15564 1 343 . 1 . 1 31 31 LEU N N 15 119.892 0.000 . 1 . . . . . 31 LEU N . 15564 1 344 . 1 . 1 32 32 GLY H H 1 8.527 0.000 . 1 . . . . . 32 GLY H . 15564 1 345 . 1 . 1 32 32 GLY HA2 H 1 4.161 0.000 . 2 . . . . . 32 GLY HA2 . 15564 1 346 . 1 . 1 32 32 GLY HA3 H 1 4.161 0.000 . 2 . . . . . 32 GLY HA3 . 15564 1 347 . 1 . 1 32 32 GLY CA C 13 47.022 0.000 . 1 . . . . . 32 GLY CA . 15564 1 348 . 1 . 1 32 32 GLY N N 15 104.255 0.000 . 1 . . . . . 32 GLY N . 15564 1 349 . 1 . 1 33 33 GLY H H 1 8.311 0.000 . 1 . . . . . 33 GLY H . 15564 1 350 . 1 . 1 33 33 GLY HA2 H 1 4.161 0.000 . 2 . . . . . 33 GLY HA2 . 15564 1 351 . 1 . 1 33 33 GLY HA3 H 1 4.243 0.000 . 2 . . . . . 33 GLY HA3 . 15564 1 352 . 1 . 1 33 33 GLY CA C 13 47.054 0.000 . 1 . . . . . 33 GLY CA . 15564 1 353 . 1 . 1 33 33 GLY N N 15 106.788 0.000 . 1 . . . . . 33 GLY N . 15564 1 354 . 1 . 1 34 34 LYS H H 1 8.258 0.000 . 1 . . . . . 34 LYS H . 15564 1 355 . 1 . 1 34 34 LYS HA H 1 4.434 0.000 . 1 . . . . . 34 LYS HA . 15564 1 356 . 1 . 1 34 34 LYS HB2 H 1 1.991 0.000 . 2 . . . . . 34 LYS HB2 . 15564 1 357 . 1 . 1 34 34 LYS HB3 H 1 2.108 0.000 . 2 . . . . . 34 LYS HB3 . 15564 1 358 . 1 . 1 34 34 LYS HD2 H 1 1.866 0.014 . 2 . . . . . 34 LYS HD2 . 15564 1 359 . 1 . 1 34 34 LYS HD3 H 1 1.866 0.014 . 2 . . . . . 34 LYS HD3 . 15564 1 360 . 1 . 1 34 34 LYS HE2 H 1 3.176 0.000 . 2 . . . . . 34 LYS HE2 . 15564 1 361 . 1 . 1 34 34 LYS HE3 H 1 3.176 0.000 . 2 . . . . . 34 LYS HE3 . 15564 1 362 . 1 . 1 34 34 LYS HG2 H 1 1.676 0.000 . 2 . . . . . 34 LYS HG2 . 15564 1 363 . 1 . 1 34 34 LYS HG3 H 1 1.676 0.000 . 2 . . . . . 34 LYS HG3 . 15564 1 364 . 1 . 1 34 34 LYS CA C 13 58.233 0.000 . 1 . . . . . 34 LYS CA . 15564 1 365 . 1 . 1 34 34 LYS CB C 13 32.242 0.000 . 1 . . . . . 34 LYS CB . 15564 1 366 . 1 . 1 34 34 LYS CD C 13 28.783 0.000 . 1 . . . . . 34 LYS CD . 15564 1 367 . 1 . 1 34 34 LYS CE C 13 42.110 0.000 . 1 . . . . . 34 LYS CE . 15564 1 368 . 1 . 1 34 34 LYS CG C 13 24.913 0.000 . 1 . . . . . 34 LYS CG . 15564 1 369 . 1 . 1 34 34 LYS N N 15 120.914 0.000 . 1 . . . . . 34 LYS N . 15564 1 370 . 1 . 1 35 35 PHE H H 1 8.315 0.000 . 1 . . . . . 35 PHE H . 15564 1 371 . 1 . 1 35 35 PHE HA H 1 4.634 0.000 . 1 . . . . . 35 PHE HA . 15564 1 372 . 1 . 1 35 35 PHE HB2 H 1 3.417 0.014 . 2 . . . . . 35 PHE HB2 . 15564 1 373 . 1 . 1 35 35 PHE HB3 H 1 3.417 0.014 . 2 . . . . . 35 PHE HB3 . 15564 1 374 . 1 . 1 35 35 PHE HD1 H 1 7.442 0.000 . 1 . . . . . 35 PHE HD1 . 15564 1 375 . 1 . 1 35 35 PHE HD2 H 1 7.442 0.000 . 1 . . . . . 35 PHE HD2 . 15564 1 376 . 1 . 1 35 35 PHE HE1 H 1 7.442 0.000 . 1 . . . . . 35 PHE HE1 . 15564 1 377 . 1 . 1 35 35 PHE HE2 H 1 7.442 0.000 . 1 . . . . . 35 PHE HE2 . 15564 1 378 . 1 . 1 35 35 PHE HZ H 1 6.934 0.014 . 1 . . . . . 35 PHE HZ . 15564 1 379 . 1 . 1 35 35 PHE CA C 13 60.551 0.000 . 1 . . . . . 35 PHE CA . 15564 1 380 . 1 . 1 35 35 PHE CB C 13 39.240 0.000 . 1 . . . . . 35 PHE CB . 15564 1 381 . 1 . 1 35 35 PHE CD1 C 13 131.125 0.000 . 1 . . . . . 35 PHE CD1 . 15564 1 382 . 1 . 1 35 35 PHE CE1 C 13 131.125 0.000 . 1 . . . . . 35 PHE CE1 . 15564 1 383 . 1 . 1 35 35 PHE CZ C 13 129.113 0.000 . 1 . . . . . 35 PHE CZ . 15564 1 384 . 1 . 1 35 35 PHE N N 15 119.398 0.000 . 1 . . . . . 35 PHE N . 15564 1 385 . 1 . 1 36 36 LEU H H 1 8.233 0.000 . 1 . . . . . 36 LEU H . 15564 1 386 . 1 . 1 36 36 LEU HA H 1 4.284 0.000 . 1 . . . . . 36 LEU HA . 15564 1 387 . 1 . 1 36 36 LEU HB2 H 1 2.073 0.000 . 2 . . . . . 36 LEU HB2 . 15564 1 388 . 1 . 1 36 36 LEU HB3 H 1 1.875 0.000 . 2 . . . . . 36 LEU HB3 . 15564 1 389 . 1 . 1 36 36 LEU HD11 H 1 1.126 0.000 . 2 . . . . . 36 LEU QD1 . 15564 1 390 . 1 . 1 36 36 LEU HD12 H 1 1.126 0.000 . 2 . . . . . 36 LEU QD1 . 15564 1 391 . 1 . 1 36 36 LEU HD13 H 1 1.126 0.000 . 2 . . . . . 36 LEU QD1 . 15564 1 392 . 1 . 1 36 36 LEU HD21 H 1 1.160 0.000 . 2 . . . . . 36 LEU QD2 . 15564 1 393 . 1 . 1 36 36 LEU HD22 H 1 1.160 0.000 . 2 . . . . . 36 LEU QD2 . 15564 1 394 . 1 . 1 36 36 LEU HD23 H 1 1.160 0.000 . 2 . . . . . 36 LEU QD2 . 15564 1 395 . 1 . 1 36 36 LEU HG H 1 1.943 0.000 . 1 . . . . . 36 LEU HG . 15564 1 396 . 1 . 1 36 36 LEU CA C 13 57.242 0.000 . 1 . . . . . 36 LEU CA . 15564 1 397 . 1 . 1 36 36 LEU CB C 13 41.976 0.000 . 1 . . . . . 36 LEU CB . 15564 1 398 . 1 . 1 36 36 LEU CD1 C 13 23.732 0.000 . 1 . . . . . 36 LEU CD1 . 15564 1 399 . 1 . 1 36 36 LEU CD2 C 13 24.831 0.000 . 1 . . . . . 36 LEU CD2 . 15564 1 400 . 1 . 1 36 36 LEU CG C 13 28.023 0.000 . 1 . . . . . 36 LEU CG . 15564 1 401 . 1 . 1 36 36 LEU N N 15 119.434 0.000 . 1 . . . . . 36 LEU N . 15564 1 402 . 1 . 1 37 37 GLU H H 1 8.186 0.000 . 1 . . . . . 37 GLU H . 15564 1 403 . 1 . 1 37 37 GLU HA H 1 4.284 0.000 . 1 . . . . . 37 GLU HA . 15564 1 404 . 1 . 1 37 37 GLU HB2 H 1 2.309 0.000 . 2 . . . . . 37 GLU HB2 . 15564 1 405 . 1 . 1 37 37 GLU HB3 H 1 2.280 0.000 . 2 . . . . . 37 GLU HB3 . 15564 1 406 . 1 . 1 37 37 GLU HG2 H 1 2.582 0.000 . 2 . . . . . 37 GLU HG2 . 15564 1 407 . 1 . 1 37 37 GLU HG3 H 1 2.461 0.000 . 2 . . . . . 37 GLU HG3 . 15564 1 408 . 1 . 1 37 37 GLU CA C 13 58.896 0.000 . 1 . . . . . 37 GLU CA . 15564 1 409 . 1 . 1 37 37 GLU CB C 13 29.839 0.000 . 1 . . . . . 37 GLU CB . 15564 1 410 . 1 . 1 37 37 GLU CG C 13 36.343 0.000 . 1 . . . . . 37 GLU CG . 15564 1 411 . 1 . 1 37 37 GLU N N 15 119.295 0.000 . 1 . . . . . 37 GLU N . 15564 1 412 . 1 . 1 38 38 GLY H H 1 8.246 0.000 . 1 . . . . . 38 GLY H . 15564 1 413 . 1 . 1 38 38 GLY HA3 H 1 4.107 0.000 . 2 . . . . . 38 GLY HA3 . 15564 1 414 . 1 . 1 38 38 GLY CA C 13 46.639 0.000 . 1 . . . . . 38 GLY CA . 15564 1 415 . 1 . 1 38 38 GLY N N 15 105.392 0.000 . 1 . . . . . 38 GLY N . 15564 1 416 . 1 . 1 39 39 ALA H H 1 8.293 0.000 . 1 . . . . . 39 ALA H . 15564 1 417 . 1 . 1 39 39 ALA HA H 1 4.301 0.000 . 1 . . . . . 39 ALA HA . 15564 1 418 . 1 . 1 39 39 ALA HB1 H 1 1.535 0.000 . 1 . . . . . 39 ALA QB . 15564 1 419 . 1 . 1 39 39 ALA HB2 H 1 1.535 0.000 . 1 . . . . . 39 ALA QB . 15564 1 420 . 1 . 1 39 39 ALA HB3 H 1 1.535 0.000 . 1 . . . . . 39 ALA QB . 15564 1 421 . 1 . 1 39 39 ALA CA C 13 54.118 0.000 . 1 . . . . . 39 ALA CA . 15564 1 422 . 1 . 1 39 39 ALA CB C 13 18.829 0.000 . 1 . . . . . 39 ALA CB . 15564 1 423 . 1 . 1 39 39 ALA N N 15 124.928 0.000 . 1 . . . . . 39 ALA N . 15564 1 424 . 1 . 1 40 40 ALA H H 1 8.032 0.000 . 1 . . . . . 40 ALA H . 15564 1 425 . 1 . 1 40 40 ALA HA H 1 4.396 0.000 . 1 . . . . . 40 ALA HA . 15564 1 426 . 1 . 1 40 40 ALA HB1 H 1 1.660 0.000 . 1 . . . . . 40 ALA QB . 15564 1 427 . 1 . 1 40 40 ALA HB2 H 1 1.660 0.000 . 1 . . . . . 40 ALA QB . 15564 1 428 . 1 . 1 40 40 ALA HB3 H 1 1.660 0.000 . 1 . . . . . 40 ALA QB . 15564 1 429 . 1 . 1 40 40 ALA CA C 13 53.530 0.000 . 1 . . . . . 40 ALA CA . 15564 1 430 . 1 . 1 40 40 ALA CB C 13 19.238 0.000 . 1 . . . . . 40 ALA CB . 15564 1 431 . 1 . 1 40 40 ALA N N 15 118.432 0.000 . 1 . . . . . 40 ALA N . 15564 1 432 . 1 . 1 41 41 ARG H H 1 7.731 0.000 . 1 . . . . . 41 ARG H . 15564 1 433 . 1 . 1 41 41 ARG HA H 1 4.570 0.000 . 1 . . . . . 41 ARG HA . 15564 1 434 . 1 . 1 41 41 ARG HB2 H 1 2.219 0.000 . 2 . . . . . 41 ARG HB2 . 15564 1 435 . 1 . 1 41 41 ARG HB3 H 1 2.080 0.000 . 2 . . . . . 41 ARG HB3 . 15564 1 436 . 1 . 1 41 41 ARG HD2 H 1 3.448 0.000 . 2 . . . . . 41 ARG HD2 . 15564 1 437 . 1 . 1 41 41 ARG HD3 H 1 3.448 0.000 . 2 . . . . . 41 ARG HD3 . 15564 1 438 . 1 . 1 41 41 ARG HG2 H 1 1.985 0.000 . 2 . . . . . 41 ARG HG2 . 15564 1 439 . 1 . 1 41 41 ARG HG3 H 1 1.907 0.000 . 2 . . . . . 41 ARG HG3 . 15564 1 440 . 1 . 1 41 41 ARG CA C 13 55.890 0.000 . 1 . . . . . 41 ARG CA . 15564 1 441 . 1 . 1 41 41 ARG CB C 13 30.909 0.000 . 1 . . . . . 41 ARG CB . 15564 1 442 . 1 . 1 41 41 ARG CD C 13 43.608 0.000 . 1 . . . . . 41 ARG CD . 15564 1 443 . 1 . 1 41 41 ARG CG C 13 27.718 0.000 . 1 . . . . . 41 ARG CG . 15564 1 444 . 1 . 1 41 41 ARG N N 15 115.470 0.000 . 1 . . . . . 41 ARG N . 15564 1 445 . 1 . 1 42 42 GLN H H 1 7.930 0.000 . 1 . . . . . 42 GLN H . 15564 1 446 . 1 . 1 42 42 GLN HA H 1 4.872 0.000 . 1 . . . . . 42 GLN HA . 15564 1 447 . 1 . 1 42 42 GLN HB2 H 1 2.431 0.000 . 2 . . . . . 42 GLN HB2 . 15564 1 448 . 1 . 1 42 42 GLN HB3 H 1 2.245 0.000 . 2 . . . . . 42 GLN HB3 . 15564 1 449 . 1 . 1 42 42 GLN HE21 H 1 7.661 0.000 . 2 . . . . . 42 GLN HE21 . 15564 1 450 . 1 . 1 42 42 GLN HE22 H 1 6.895 0.000 . 2 . . . . . 42 GLN HE22 . 15564 1 451 . 1 . 1 42 42 GLN HG2 H 1 2.540 0.000 . 2 . . . . . 42 GLN HG2 . 15564 1 452 . 1 . 1 42 42 GLN HG3 H 1 2.657 0.000 . 2 . . . . . 42 GLN HG3 . 15564 1 453 . 1 . 1 42 42 GLN CA C 13 54.111 0.000 . 1 . . . . . 42 GLN CA . 15564 1 454 . 1 . 1 42 42 GLN CB C 13 28.543 0.000 . 1 . . . . . 42 GLN CB . 15564 1 455 . 1 . 1 42 42 GLN CG C 13 33.513 0.000 . 1 . . . . . 42 GLN CG . 15564 1 456 . 1 . 1 42 42 GLN N N 15 121.052 0.000 . 1 . . . . . 42 GLN N . 15564 1 457 . 1 . 1 42 42 GLN NE2 N 15 109.826 0.000 . 1 . . . . . 42 GLN NE2 . 15564 1 458 . 1 . 1 43 43 PRO HA H 1 4.641 0.000 . 1 . . . . . 43 PRO HA . 15564 1 459 . 1 . 1 43 43 PRO HB2 H 1 2.161 0.014 . 2 . . . . . 43 PRO HB2 . 15564 1 460 . 1 . 1 43 43 PRO HB3 H 1 2.542 0.000 . 2 . . . . . 43 PRO HB3 . 15564 1 461 . 1 . 1 43 43 PRO HD2 H 1 3.961 0.000 . 2 . . . . . 43 PRO HD2 . 15564 1 462 . 1 . 1 43 43 PRO HD3 H 1 3.961 0.000 . 2 . . . . . 43 PRO HD3 . 15564 1 463 . 1 . 1 43 43 PRO HG2 H 1 2.241 0.000 . 2 . . . . . 43 PRO HG2 . 15564 1 464 . 1 . 1 43 43 PRO HG3 H 1 2.241 0.000 . 2 . . . . . 43 PRO HG3 . 15564 1 465 . 1 . 1 43 43 PRO CA C 13 64.560 0.000 . 1 . . . . . 43 PRO CA . 15564 1 466 . 1 . 1 43 43 PRO CB C 13 31.866 0.000 . 1 . . . . . 43 PRO CB . 15564 1 467 . 1 . 1 43 43 PRO CD C 13 50.674 0.000 . 1 . . . . . 43 PRO CD . 15564 1 468 . 1 . 1 43 43 PRO CG C 13 27.545 0.000 . 1 . . . . . 43 PRO CG . 15564 1 469 . 1 . 1 44 44 ASP H H 1 8.587 0.000 . 1 . . . . . 44 ASP H . 15564 1 470 . 1 . 1 44 44 ASP HA H 1 4.855 0.000 . 1 . . . . . 44 ASP HA . 15564 1 471 . 1 . 1 44 44 ASP HB2 H 1 3.022 0.000 . 2 . . . . . 44 ASP HB2 . 15564 1 472 . 1 . 1 44 44 ASP HB3 H 1 2.879 0.000 . 2 . . . . . 44 ASP HB3 . 15564 1 473 . 1 . 1 44 44 ASP CA C 13 55.006 0.000 . 1 . . . . . 44 ASP CA . 15564 1 474 . 1 . 1 44 44 ASP CB C 13 40.411 0.000 . 1 . . . . . 44 ASP CB . 15564 1 475 . 1 . 1 44 44 ASP N N 15 117.765 0.000 . 1 . . . . . 44 ASP N . 15564 1 476 . 1 . 1 45 45 LEU H H 1 8.031 0.000 . 1 . . . . . 45 LEU H . 15564 1 477 . 1 . 1 45 45 LEU HA H 1 4.379 0.000 . 1 . . . . . 45 LEU HA . 15564 1 478 . 1 . 1 45 45 LEU HB2 H 1 1.990 0.000 . 2 . . . . . 45 LEU HB2 . 15564 1 479 . 1 . 1 45 45 LEU HB3 H 1 1.937 0.000 . 2 . . . . . 45 LEU HB3 . 15564 1 480 . 1 . 1 45 45 LEU HD11 H 1 1.144 0.000 . 2 . . . . . 45 LEU QD1 . 15564 1 481 . 1 . 1 45 45 LEU HD12 H 1 1.144 0.000 . 2 . . . . . 45 LEU QD1 . 15564 1 482 . 1 . 1 45 45 LEU HD13 H 1 1.144 0.000 . 2 . . . . . 45 LEU QD1 . 15564 1 483 . 1 . 1 45 45 LEU HD21 H 1 1.171 0.000 . 2 . . . . . 45 LEU QD2 . 15564 1 484 . 1 . 1 45 45 LEU HD22 H 1 1.171 0.000 . 2 . . . . . 45 LEU QD2 . 15564 1 485 . 1 . 1 45 45 LEU HD23 H 1 1.171 0.000 . 2 . . . . . 45 LEU QD2 . 15564 1 486 . 1 . 1 45 45 LEU HG H 1 1.487 0.014 . 1 . . . . . 45 LEU HG . 15564 1 487 . 1 . 1 45 45 LEU CB C 13 42.873 0.000 . 1 . . . . . 45 LEU CB . 15564 1 488 . 1 . 1 45 45 LEU CD1 C 13 25.856 0.000 . 1 . . . . . 45 LEU CD1 . 15564 1 489 . 1 . 1 45 45 LEU CD2 C 13 24.833 0.000 . 1 . . . . . 45 LEU CD2 . 15564 1 490 . 1 . 1 45 45 LEU CG C 13 26.371 0.000 . 1 . . . . . 45 LEU CG . 15564 1 491 . 1 . 1 45 45 LEU N N 15 121.604 0.000 . 1 . . . . . 45 LEU N . 15564 1 492 . 1 . 1 46 46 ILE H H 1 8.597 0.000 . 1 . . . . . 46 ILE H . 15564 1 493 . 1 . 1 46 46 ILE HA H 1 4.121 0.000 . 1 . . . . . 46 ILE HA . 15564 1 494 . 1 . 1 46 46 ILE HB H 1 2.202 0.014 . 1 . . . . . 46 ILE HB . 15564 1 495 . 1 . 1 46 46 ILE HD11 H 1 1.116 0.014 . 1 . . . . . 46 ILE QD1 . 15564 1 496 . 1 . 1 46 46 ILE HD12 H 1 1.116 0.014 . 1 . . . . . 46 ILE QD1 . 15564 1 497 . 1 . 1 46 46 ILE HD13 H 1 1.116 0.014 . 1 . . . . . 46 ILE QD1 . 15564 1 498 . 1 . 1 46 46 ILE HG12 H 1 1.505 0.000 . 2 . . . . . 46 ILE HG12 . 15564 1 499 . 1 . 1 46 46 ILE HG13 H 1 1.505 0.000 . 2 . . . . . 46 ILE HG13 . 15564 1 500 . 1 . 1 46 46 ILE HG21 H 1 1.121 0.014 . 1 . . . . . 46 ILE QG2 . 15564 1 501 . 1 . 1 46 46 ILE HG22 H 1 1.121 0.014 . 1 . . . . . 46 ILE QG2 . 15564 1 502 . 1 . 1 46 46 ILE HG23 H 1 1.121 0.014 . 1 . . . . . 46 ILE QG2 . 15564 1 503 . 1 . 1 46 46 ILE CA C 13 62.037 0.000 . 1 . . . . . 46 ILE CA . 15564 1 504 . 1 . 1 46 46 ILE CB C 13 34.304 0.000 . 1 . . . . . 46 ILE CB . 15564 1 505 . 1 . 1 46 46 ILE CD1 C 13 12.051 0.000 . 1 . . . . . 46 ILE CD1 . 15564 1 506 . 1 . 1 46 46 ILE CG1 C 13 27.653 0.000 . 1 . . . . . 46 ILE CG1 . 15564 1 507 . 1 . 1 46 46 ILE CG2 C 13 17.736 0.000 . 1 . . . . . 46 ILE CG2 . 15564 1 508 . 1 . 1 46 46 ILE N N 15 117.823 0.000 . 1 . . . . . 46 ILE N . 15564 1 509 . 1 . 1 47 47 PRO HA H 1 4.460 0.001 . 1 . . . . . 47 PRO HA . 15564 1 510 . 1 . 1 47 47 PRO HB2 H 1 2.112 0.014 . 2 . . . . . 47 PRO HB2 . 15564 1 511 . 1 . 1 47 47 PRO HB3 H 1 2.588 0.014 . 2 . . . . . 47 PRO HB3 . 15564 1 512 . 1 . 1 47 47 PRO HD2 H 1 3.908 0.014 . 2 . . . . . 47 PRO HD2 . 15564 1 513 . 1 . 1 47 47 PRO HD3 H 1 3.824 0.014 . 2 . . . . . 47 PRO HD3 . 15564 1 514 . 1 . 1 47 47 PRO HG2 H 1 2.196 0.000 . 2 . . . . . 47 PRO HG2 . 15564 1 515 . 1 . 1 47 47 PRO HG3 H 1 2.419 0.000 . 2 . . . . . 47 PRO HG3 . 15564 1 516 . 1 . 1 47 47 PRO CA C 13 66.117 0.000 . 1 . . . . . 47 PRO CA . 15564 1 517 . 1 . 1 47 47 PRO CB C 13 31.091 0.000 . 1 . . . . . 47 PRO CB . 15564 1 518 . 1 . 1 47 47 PRO CD C 13 50.272 0.000 . 1 . . . . . 47 PRO CD . 15564 1 519 . 1 . 1 47 47 PRO CG C 13 28.498 0.000 . 1 . . . . . 47 PRO CG . 15564 1 520 . 1 . 1 48 48 LEU H H 1 7.607 0.000 . 1 . . . . . 48 LEU H . 15564 1 521 . 1 . 1 48 48 LEU HA H 1 4.463 0.000 . 1 . . . . . 48 LEU HA . 15564 1 522 . 1 . 1 48 48 LEU HB2 H 1 2.108 0.000 . 2 . . . . . 48 LEU HB2 . 15564 1 523 . 1 . 1 48 48 LEU HB3 H 1 2.073 0.000 . 2 . . . . . 48 LEU HB3 . 15564 1 524 . 1 . 1 48 48 LEU HD11 H 1 1.181 0.000 . 2 . . . . . 48 LEU QD1 . 15564 1 525 . 1 . 1 48 48 LEU HD12 H 1 1.181 0.000 . 2 . . . . . 48 LEU QD1 . 15564 1 526 . 1 . 1 48 48 LEU HD13 H 1 1.181 0.000 . 2 . . . . . 48 LEU QD1 . 15564 1 527 . 1 . 1 48 48 LEU HD21 H 1 1.133 0.000 . 2 . . . . . 48 LEU QD2 . 15564 1 528 . 1 . 1 48 48 LEU HD22 H 1 1.133 0.000 . 2 . . . . . 48 LEU QD2 . 15564 1 529 . 1 . 1 48 48 LEU HD23 H 1 1.133 0.000 . 2 . . . . . 48 LEU QD2 . 15564 1 530 . 1 . 1 48 48 LEU HG H 1 1.934 0.000 . 1 . . . . . 48 LEU HG . 15564 1 531 . 1 . 1 48 48 LEU CA C 13 58.416 0.000 . 1 . . . . . 48 LEU CA . 15564 1 532 . 1 . 1 48 48 LEU CB C 13 42.048 0.000 . 1 . . . . . 48 LEU CB . 15564 1 533 . 1 . 1 48 48 LEU CD1 C 13 24.903 0.000 . 1 . . . . . 48 LEU CD1 . 15564 1 534 . 1 . 1 48 48 LEU CD2 C 13 24.903 0.000 . 1 . . . . . 48 LEU CD2 . 15564 1 535 . 1 . 1 48 48 LEU CG C 13 27.548 0.000 . 1 . . . . . 48 LEU CG . 15564 1 536 . 1 . 1 48 48 LEU N N 15 118.745 0.000 . 1 . . . . . 48 LEU N . 15564 1 537 . 1 . 1 49 49 LEU H H 1 8.531 0.000 . 1 . . . . . 49 LEU H . 15564 1 538 . 1 . 1 49 49 LEU HA H 1 4.255 0.000 . 1 . . . . . 49 LEU HA . 15564 1 539 . 1 . 1 49 49 LEU HB2 H 1 2.198 0.014 . 2 . . . . . 49 LEU HB2 . 15564 1 540 . 1 . 1 49 49 LEU HB3 H 1 1.736 0.000 . 2 . . . . . 49 LEU HB3 . 15564 1 541 . 1 . 1 49 49 LEU HD11 H 1 1.169 0.000 . 2 . . . . . 49 LEU QD1 . 15564 1 542 . 1 . 1 49 49 LEU HD12 H 1 1.169 0.000 . 2 . . . . . 49 LEU QD1 . 15564 1 543 . 1 . 1 49 49 LEU HD13 H 1 1.169 0.000 . 2 . . . . . 49 LEU QD1 . 15564 1 544 . 1 . 1 49 49 LEU HD21 H 1 1.088 0.014 . 2 . . . . . 49 LEU QD2 . 15564 1 545 . 1 . 1 49 49 LEU HD22 H 1 1.088 0.014 . 2 . . . . . 49 LEU QD2 . 15564 1 546 . 1 . 1 49 49 LEU HD23 H 1 1.088 0.014 . 2 . . . . . 49 LEU QD2 . 15564 1 547 . 1 . 1 49 49 LEU HG H 1 2.077 0.014 . 1 . . . . . 49 LEU HG . 15564 1 548 . 1 . 1 49 49 LEU CA C 13 58.256 0.000 . 1 . . . . . 49 LEU CA . 15564 1 549 . 1 . 1 49 49 LEU CB C 13 42.124 0.000 . 1 . . . . . 49 LEU CB . 15564 1 550 . 1 . 1 49 49 LEU CD1 C 13 23.665 0.000 . 1 . . . . . 49 LEU CD1 . 15564 1 551 . 1 . 1 49 49 LEU CD2 C 13 23.774 0.000 . 1 . . . . . 49 LEU CD2 . 15564 1 552 . 1 . 1 49 49 LEU CG C 13 26.773 0.000 . 1 . . . . . 49 LEU CG . 15564 1 553 . 1 . 1 49 49 LEU N N 15 120.586 0.000 . 1 . . . . . 49 LEU N . 15564 1 554 . 1 . 1 50 50 ARG H H 1 8.706 0.000 . 1 . . . . . 50 ARG H . 15564 1 555 . 1 . 1 50 50 ARG HA H 1 4.090 0.000 . 1 . . . . . 50 ARG HA . 15564 1 556 . 1 . 1 50 50 ARG HB2 H 1 2.263 0.000 . 2 . . . . . 50 ARG HB2 . 15564 1 557 . 1 . 1 50 50 ARG HB3 H 1 2.089 0.000 . 2 . . . . . 50 ARG HB3 . 15564 1 558 . 1 . 1 50 50 ARG HD2 H 1 3.440 0.014 . 2 . . . . . 50 ARG HD2 . 15564 1 559 . 1 . 1 50 50 ARG HD3 H 1 3.440 0.014 . 2 . . . . . 50 ARG HD3 . 15564 1 560 . 1 . 1 50 50 ARG HG2 H 1 1.867 0.000 . 2 . . . . . 50 ARG HG2 . 15564 1 561 . 1 . 1 50 50 ARG HG3 H 1 1.962 0.000 . 2 . . . . . 50 ARG HG3 . 15564 1 562 . 1 . 1 50 50 ARG CA C 13 60.244 0.000 . 1 . . . . . 50 ARG CA . 15564 1 563 . 1 . 1 50 50 ARG CB C 13 30.711 0.000 . 1 . . . . . 50 ARG CB . 15564 1 564 . 1 . 1 50 50 ARG CD C 13 43.608 0.000 . 1 . . . . . 50 ARG CD . 15564 1 565 . 1 . 1 50 50 ARG CG C 13 28.164 0.000 . 1 . . . . . 50 ARG CG . 15564 1 566 . 1 . 1 50 50 ARG N N 15 118.267 0.000 . 1 . . . . . 50 ARG N . 15564 1 567 . 1 . 1 51 51 THR H H 1 8.220 0.000 . 1 . . . . . 51 THR H . 15564 1 568 . 1 . 1 51 51 THR HA H 1 4.367 0.000 . 1 . . . . . 51 THR HA . 15564 1 569 . 1 . 1 51 51 THR HB H 1 4.668 0.000 . 1 . . . . . 51 THR HB . 15564 1 570 . 1 . 1 51 51 THR HG21 H 1 1.585 0.000 . 1 . . . . . 51 THR QG2 . 15564 1 571 . 1 . 1 51 51 THR HG22 H 1 1.585 0.000 . 1 . . . . . 51 THR QG2 . 15564 1 572 . 1 . 1 51 51 THR HG23 H 1 1.585 0.000 . 1 . . . . . 51 THR QG2 . 15564 1 573 . 1 . 1 51 51 THR CA C 13 66.584 0.000 . 1 . . . . . 51 THR CA . 15564 1 574 . 1 . 1 51 51 THR CB C 13 69.418 0.000 . 1 . . . . . 51 THR CB . 15564 1 575 . 1 . 1 51 51 THR CG2 C 13 21.768 0.000 . 1 . . . . . 51 THR CG2 . 15564 1 576 . 1 . 1 51 51 THR N N 15 113.041 0.000 . 1 . . . . . 51 THR N . 15564 1 577 . 1 . 1 52 52 GLN H H 1 8.311 0.000 . 1 . . . . . 52 GLN H . 15564 1 578 . 1 . 1 52 52 GLN HA H 1 4.501 0.014 . 1 . . . . . 52 GLN HA . 15564 1 579 . 1 . 1 52 52 GLN HB2 H 1 2.459 0.014 . 2 . . . . . 52 GLN HB2 . 15564 1 580 . 1 . 1 52 52 GLN HB3 H 1 2.314 0.000 . 2 . . . . . 52 GLN HB3 . 15564 1 581 . 1 . 1 52 52 GLN HE21 H 1 6.692 0.000 . 2 . . . . . 52 GLN HE21 . 15564 1 582 . 1 . 1 52 52 GLN HE22 H 1 6.901 0.000 . 2 . . . . . 52 GLN HE22 . 15564 1 583 . 1 . 1 52 52 GLN HG2 H 1 2.847 0.000 . 2 . . . . . 52 GLN HG2 . 15564 1 584 . 1 . 1 52 52 GLN HG3 H 1 2.485 0.000 . 2 . . . . . 52 GLN HG3 . 15564 1 585 . 1 . 1 52 52 GLN CA C 13 57.703 0.000 . 1 . . . . . 52 GLN CA . 15564 1 586 . 1 . 1 52 52 GLN CB C 13 28.097 0.000 . 1 . . . . . 52 GLN CB . 15564 1 587 . 1 . 1 52 52 GLN CG C 13 33.513 0.000 . 1 . . . . . 52 GLN CG . 15564 1 588 . 1 . 1 52 52 GLN N N 15 119.238 0.000 . 1 . . . . . 52 GLN N . 15564 1 589 . 1 . 1 52 52 GLN NE2 N 15 106.334 0.000 . 1 . . . . . 52 GLN NE2 . 15564 1 590 . 1 . 1 53 53 PHE H H 1 8.626 0.000 . 1 . . . . . 53 PHE H . 15564 1 591 . 1 . 1 53 53 PHE HA H 1 4.322 0.000 . 1 . . . . . 53 PHE HA . 15564 1 592 . 1 . 1 53 53 PHE HB2 H 1 3.385 0.000 . 2 . . . . . 53 PHE HB2 . 15564 1 593 . 1 . 1 53 53 PHE HB3 H 1 3.385 0.000 . 2 . . . . . 53 PHE HB3 . 15564 1 594 . 1 . 1 53 53 PHE HD1 H 1 7.005 0.000 . 1 . . . . . 53 PHE HD1 . 15564 1 595 . 1 . 1 53 53 PHE HD2 H 1 7.005 0.000 . 1 . . . . . 53 PHE HD2 . 15564 1 596 . 1 . 1 53 53 PHE HE1 H 1 7.275 0.014 . 1 . . . . . 53 PHE HE1 . 15564 1 597 . 1 . 1 53 53 PHE HE2 H 1 7.275 0.014 . 1 . . . . . 53 PHE HE2 . 15564 1 598 . 1 . 1 53 53 PHE HZ H 1 6.934 0.014 . 1 . . . . . 53 PHE HZ . 15564 1 599 . 1 . 1 53 53 PHE CA C 13 61.488 0.000 . 1 . . . . . 53 PHE CA . 15564 1 600 . 1 . 1 53 53 PHE CB C 13 39.182 0.000 . 1 . . . . . 53 PHE CB . 15564 1 601 . 1 . 1 53 53 PHE CD1 C 13 130.724 0.000 . 1 . . . . . 53 PHE CD1 . 15564 1 602 . 1 . 1 53 53 PHE CE1 C 13 130.483 0.000 . 1 . . . . . 53 PHE CE1 . 15564 1 603 . 1 . 1 53 53 PHE CZ C 13 129.113 0.000 . 1 . . . . . 53 PHE CZ . 15564 1 604 . 1 . 1 53 53 PHE N N 15 120.500 0.000 . 1 . . . . . 53 PHE N . 15564 1 605 . 1 . 1 54 54 PHE H H 1 8.150 0.014 . 1 . . . . . 54 PHE H . 15564 1 606 . 1 . 1 54 54 PHE HA H 1 4.384 0.000 . 1 . . . . . 54 PHE HA . 15564 1 607 . 1 . 1 54 54 PHE HB2 H 1 3.437 0.000 . 2 . . . . . 54 PHE HB2 . 15564 1 608 . 1 . 1 54 54 PHE HB3 H 1 3.494 0.000 . 2 . . . . . 54 PHE HB3 . 15564 1 609 . 1 . 1 54 54 PHE HD1 H 1 7.659 0.000 . 1 . . . . . 54 PHE HD1 . 15564 1 610 . 1 . 1 54 54 PHE HD2 H 1 7.659 0.000 . 1 . . . . . 54 PHE HD2 . 15564 1 611 . 1 . 1 54 54 PHE HE1 H 1 7.644 0.014 . 1 . . . . . 54 PHE HE1 . 15564 1 612 . 1 . 1 54 54 PHE HE2 H 1 7.644 0.014 . 1 . . . . . 54 PHE HE2 . 15564 1 613 . 1 . 1 54 54 PHE HZ H 1 6.934 0.014 . 1 . . . . . 54 PHE HZ . 15564 1 614 . 1 . 1 54 54 PHE CA C 13 61.526 0.000 . 1 . . . . . 54 PHE CA . 15564 1 615 . 1 . 1 54 54 PHE CB C 13 38.265 0.000 . 1 . . . . . 54 PHE CB . 15564 1 616 . 1 . 1 54 54 PHE CD1 C 13 131.114 0.000 . 1 . . . . . 54 PHE CD1 . 15564 1 617 . 1 . 1 54 54 PHE CE1 C 13 130.483 0.000 . 1 . . . . . 54 PHE CE1 . 15564 1 618 . 1 . 1 54 54 PHE CZ C 13 129.113 0.000 . 1 . . . . . 54 PHE CZ . 15564 1 619 . 1 . 1 54 54 PHE N N 15 116.452 0.000 . 1 . . . . . 54 PHE N . 15564 1 620 . 1 . 1 55 55 ILE H H 1 7.956 0.000 . 1 . . . . . 55 ILE H . 15564 1 621 . 1 . 1 55 55 ILE HA H 1 4.031 0.000 . 1 . . . . . 55 ILE HA . 15564 1 622 . 1 . 1 55 55 ILE HB H 1 2.297 0.000 . 1 . . . . . 55 ILE HB . 15564 1 623 . 1 . 1 55 55 ILE HD11 H 1 1.104 0.000 . 1 . . . . . 55 ILE QD1 . 15564 1 624 . 1 . 1 55 55 ILE HD12 H 1 1.104 0.000 . 1 . . . . . 55 ILE QD1 . 15564 1 625 . 1 . 1 55 55 ILE HD13 H 1 1.104 0.000 . 1 . . . . . 55 ILE QD1 . 15564 1 626 . 1 . 1 55 55 ILE HG12 H 1 1.389 0.014 . 2 . . . . . 55 ILE HG12 . 15564 1 627 . 1 . 1 55 55 ILE HG13 H 1 1.949 0.000 . 2 . . . . . 55 ILE HG13 . 15564 1 628 . 1 . 1 55 55 ILE HG21 H 1 1.125 0.000 . 1 . . . . . 55 ILE QG2 . 15564 1 629 . 1 . 1 55 55 ILE HG22 H 1 1.125 0.000 . 1 . . . . . 55 ILE QG2 . 15564 1 630 . 1 . 1 55 55 ILE HG23 H 1 1.125 0.000 . 1 . . . . . 55 ILE QG2 . 15564 1 631 . 1 . 1 55 55 ILE CA C 13 64.810 0.000 . 1 . . . . . 55 ILE CA . 15564 1 632 . 1 . 1 55 55 ILE CB C 13 38.037 0.000 . 1 . . . . . 55 ILE CB . 15564 1 633 . 1 . 1 55 55 ILE CD1 C 13 13.413 0.000 . 1 . . . . . 55 ILE CD1 . 15564 1 634 . 1 . 1 55 55 ILE CG1 C 13 28.980 0.000 . 1 . . . . . 55 ILE CG1 . 15564 1 635 . 1 . 1 55 55 ILE CG2 C 13 17.125 0.000 . 1 . . . . . 55 ILE CG2 . 15564 1 636 . 1 . 1 55 55 ILE N N 15 122.654 0.000 . 1 . . . . . 55 ILE N . 15564 1 637 . 1 . 1 56 56 VAL H H 1 8.168 0.000 . 1 . . . . . 56 VAL H . 15564 1 638 . 1 . 1 56 56 VAL HA H 1 3.844 0.000 . 1 . . . . . 56 VAL HA . 15564 1 639 . 1 . 1 56 56 VAL HB H 1 2.336 0.000 . 1 . . . . . 56 VAL HB . 15564 1 640 . 1 . 1 56 56 VAL HG11 H 1 1.246 0.000 . 2 . . . . . 56 VAL QG1 . 15564 1 641 . 1 . 1 56 56 VAL HG12 H 1 1.246 0.000 . 2 . . . . . 56 VAL QG1 . 15564 1 642 . 1 . 1 56 56 VAL HG13 H 1 1.246 0.000 . 2 . . . . . 56 VAL QG1 . 15564 1 643 . 1 . 1 56 56 VAL HG21 H 1 1.112 0.000 . 2 . . . . . 56 VAL QG2 . 15564 1 644 . 1 . 1 56 56 VAL HG22 H 1 1.112 0.000 . 2 . . . . . 56 VAL QG2 . 15564 1 645 . 1 . 1 56 56 VAL HG23 H 1 1.112 0.000 . 2 . . . . . 56 VAL QG2 . 15564 1 646 . 1 . 1 56 56 VAL CA C 13 66.422 0.000 . 1 . . . . . 56 VAL CA . 15564 1 647 . 1 . 1 56 56 VAL CB C 13 31.269 0.000 . 1 . . . . . 56 VAL CB . 15564 1 648 . 1 . 1 56 56 VAL CG1 C 13 23.118 0.000 . 1 . . . . . 56 VAL CG1 . 15564 1 649 . 1 . 1 56 56 VAL CG2 C 13 21.701 0.000 . 1 . . . . . 56 VAL CG2 . 15564 1 650 . 1 . 1 56 56 VAL N N 15 119.993 0.000 . 1 . . . . . 56 VAL N . 15564 1 651 . 1 . 1 57 57 MET H H 1 8.285 0.000 . 1 . . . . . 57 MET H . 15564 1 652 . 1 . 1 57 57 MET HA H 1 4.381 0.014 . 1 . . . . . 57 MET HA . 15564 1 653 . 1 . 1 57 57 MET HB2 H 1 2.278 0.000 . 2 . . . . . 57 MET HB2 . 15564 1 654 . 1 . 1 57 57 MET HB3 H 1 2.109 0.000 . 2 . . . . . 57 MET HB3 . 15564 1 655 . 1 . 1 57 57 MET HG2 H 1 2.463 0.014 . 2 . . . . . 57 MET HG2 . 15564 1 656 . 1 . 1 57 57 MET HG3 H 1 2.463 0.014 . 2 . . . . . 57 MET HG3 . 15564 1 657 . 1 . 1 57 57 MET CA C 13 57.666 0.000 . 1 . . . . . 57 MET CA . 15564 1 658 . 1 . 1 57 57 MET CB C 13 31.730 0.000 . 1 . . . . . 57 MET CB . 15564 1 659 . 1 . 1 57 57 MET CG C 13 32.073 0.000 . 1 . . . . . 57 MET CG . 15564 1 660 . 1 . 1 57 57 MET N N 15 117.899 0.000 . 1 . . . . . 57 MET N . 15564 1 661 . 1 . 1 58 58 GLY H H 1 7.972 0.000 . 1 . . . . . 58 GLY H . 15564 1 662 . 1 . 1 58 58 GLY HA2 H 1 4.214 0.000 . 2 . . . . . 58 GLY HA2 . 15564 1 663 . 1 . 1 58 58 GLY HA3 H 1 4.118 0.000 . 2 . . . . . 58 GLY HA3 . 15564 1 664 . 1 . 1 58 58 GLY CA C 13 46.833 0.000 . 1 . . . . . 58 GLY CA . 15564 1 665 . 1 . 1 58 58 GLY N N 15 104.203 0.000 . 1 . . . . . 58 GLY N . 15564 1 666 . 1 . 1 59 59 LEU H H 1 7.943 0.000 . 1 . . . . . 59 LEU H . 15564 1 667 . 1 . 1 59 59 LEU HA H 1 4.513 0.000 . 1 . . . . . 59 LEU HA . 15564 1 668 . 1 . 1 59 59 LEU HB2 H 1 2.192 0.000 . 2 . . . . . 59 LEU HB2 . 15564 1 669 . 1 . 1 59 59 LEU HB3 H 1 1.832 0.000 . 2 . . . . . 59 LEU HB3 . 15564 1 670 . 1 . 1 59 59 LEU HD11 H 1 1.113 0.000 . 2 . . . . . 59 LEU QD1 . 15564 1 671 . 1 . 1 59 59 LEU HD12 H 1 1.113 0.000 . 2 . . . . . 59 LEU QD1 . 15564 1 672 . 1 . 1 59 59 LEU HD13 H 1 1.113 0.000 . 2 . . . . . 59 LEU QD1 . 15564 1 673 . 1 . 1 59 59 LEU HD21 H 1 1.130 0.000 . 2 . . . . . 59 LEU QD2 . 15564 1 674 . 1 . 1 59 59 LEU HD22 H 1 1.130 0.000 . 2 . . . . . 59 LEU QD2 . 15564 1 675 . 1 . 1 59 59 LEU HD23 H 1 1.130 0.000 . 2 . . . . . 59 LEU QD2 . 15564 1 676 . 1 . 1 59 59 LEU HG H 1 2.109 0.000 . 1 . . . . . 59 LEU HG . 15564 1 677 . 1 . 1 59 59 LEU CA C 13 57.113 0.000 . 1 . . . . . 59 LEU CA . 15564 1 678 . 1 . 1 59 59 LEU CB C 13 42.385 0.000 . 1 . . . . . 59 LEU CB . 15564 1 679 . 1 . 1 59 59 LEU CD1 C 13 23.813 0.000 . 1 . . . . . 59 LEU CD1 . 15564 1 680 . 1 . 1 59 59 LEU CD2 C 13 23.744 0.000 . 1 . . . . . 59 LEU CD2 . 15564 1 681 . 1 . 1 59 59 LEU CG C 13 26.773 0.000 . 1 . . . . . 59 LEU CG . 15564 1 682 . 1 . 1 59 59 LEU N N 15 122.085 0.000 . 1 . . . . . 59 LEU N . 15564 1 683 . 1 . 1 60 60 VAL H H 1 7.987 0.000 . 1 . . . . . 60 VAL H . 15564 1 684 . 1 . 1 60 60 VAL HA H 1 4.003 0.000 . 1 . . . . . 60 VAL HA . 15564 1 685 . 1 . 1 60 60 VAL HB H 1 2.469 0.000 . 1 . . . . . 60 VAL HB . 15564 1 686 . 1 . 1 60 60 VAL HG11 H 1 1.282 0.000 . 2 . . . . . 60 VAL QG1 . 15564 1 687 . 1 . 1 60 60 VAL HG12 H 1 1.282 0.000 . 2 . . . . . 60 VAL QG1 . 15564 1 688 . 1 . 1 60 60 VAL HG13 H 1 1.282 0.000 . 2 . . . . . 60 VAL QG1 . 15564 1 689 . 1 . 1 60 60 VAL HG21 H 1 1.203 0.000 . 2 . . . . . 60 VAL QG2 . 15564 1 690 . 1 . 1 60 60 VAL HG22 H 1 1.203 0.000 . 2 . . . . . 60 VAL QG2 . 15564 1 691 . 1 . 1 60 60 VAL HG23 H 1 1.203 0.000 . 2 . . . . . 60 VAL QG2 . 15564 1 692 . 1 . 1 60 60 VAL CA C 13 65.114 0.000 . 1 . . . . . 60 VAL CA . 15564 1 693 . 1 . 1 60 60 VAL CB C 13 31.836 0.000 . 1 . . . . . 60 VAL CB . 15564 1 694 . 1 . 1 60 60 VAL CG1 C 13 21.701 0.000 . 1 . . . . . 60 VAL CG1 . 15564 1 695 . 1 . 1 60 60 VAL CG2 C 13 21.368 0.000 . 1 . . . . . 60 VAL CG2 . 15564 1 696 . 1 . 1 60 60 VAL N N 15 115.792 0.000 . 1 . . . . . 60 VAL N . 15564 1 697 . 1 . 1 61 61 ASN H H 1 8.060 0.000 . 1 . . . . . 61 ASN H . 15564 1 698 . 1 . 1 61 61 ASN HA H 1 4.788 0.000 . 1 . . . . . 61 ASN HA . 15564 1 699 . 1 . 1 61 61 ASN HB2 H 1 3.072 0.000 . 2 . . . . . 61 ASN HB2 . 15564 1 700 . 1 . 1 61 61 ASN HB3 H 1 3.072 0.000 . 2 . . . . . 61 ASN HB3 . 15564 1 701 . 1 . 1 61 61 ASN HD21 H 1 7.692 0.000 . 2 . . . . . 61 ASN HD21 . 15564 1 702 . 1 . 1 61 61 ASN HD22 H 1 6.951 0.000 . 2 . . . . . 61 ASN HD22 . 15564 1 703 . 1 . 1 61 61 ASN CA C 13 54.922 0.000 . 1 . . . . . 61 ASN CA . 15564 1 704 . 1 . 1 61 61 ASN CB C 13 38.995 0.000 . 1 . . . . . 61 ASN CB . 15564 1 705 . 1 . 1 61 61 ASN N N 15 115.983 0.000 . 1 . . . . . 61 ASN N . 15564 1 706 . 1 . 1 61 61 ASN ND2 N 15 110.713 0.000 . 1 . . . . . 61 ASN ND2 . 15564 1 707 . 1 . 1 62 62 ALA H H 1 7.982 0.000 . 1 . . . . . 62 ALA H . 15564 1 708 . 1 . 1 62 62 ALA HA H 1 4.650 0.000 . 1 . . . . . 62 ALA HA . 15564 1 709 . 1 . 1 62 62 ALA HB1 H 1 1.747 0.000 . 1 . . . . . 62 ALA QB . 15564 1 710 . 1 . 1 62 62 ALA HB2 H 1 1.747 0.000 . 1 . . . . . 62 ALA QB . 15564 1 711 . 1 . 1 62 62 ALA HB3 H 1 1.747 0.000 . 1 . . . . . 62 ALA QB . 15564 1 712 . 1 . 1 62 62 ALA CA C 13 52.812 0.000 . 1 . . . . . 62 ALA CA . 15564 1 713 . 1 . 1 62 62 ALA CB C 13 19.968 0.000 . 1 . . . . . 62 ALA CB . 15564 1 714 . 1 . 1 63 63 ILE H H 1 7.943 0.000 . 1 . . . . . 63 ILE H . 15564 1 715 . 1 . 1 63 63 ILE HA H 1 4.301 0.000 . 1 . . . . . 63 ILE HA . 15564 1 716 . 1 . 1 63 63 ILE HB H 1 2.396 0.000 . 1 . . . . . 63 ILE HB . 15564 1 717 . 1 . 1 63 63 ILE HD11 H 1 1.132 0.000 . 1 . . . . . 63 ILE QD1 . 15564 1 718 . 1 . 1 63 63 ILE HD12 H 1 1.132 0.000 . 1 . . . . . 63 ILE QD1 . 15564 1 719 . 1 . 1 63 63 ILE HD13 H 1 1.132 0.000 . 1 . . . . . 63 ILE QD1 . 15564 1 720 . 1 . 1 63 63 ILE HG12 H 1 2.078 0.000 . 2 . . . . . 63 ILE HG12 . 15564 1 721 . 1 . 1 63 63 ILE HG13 H 1 1.477 0.000 . 2 . . . . . 63 ILE HG13 . 15564 1 722 . 1 . 1 63 63 ILE HG21 H 1 1.167 0.000 . 1 . . . . . 63 ILE QG2 . 15564 1 723 . 1 . 1 63 63 ILE HG22 H 1 1.167 0.000 . 1 . . . . . 63 ILE QG2 . 15564 1 724 . 1 . 1 63 63 ILE HG23 H 1 1.167 0.000 . 1 . . . . . 63 ILE QG2 . 15564 1 725 . 1 . 1 63 63 ILE CA C 13 63.750 0.000 . 1 . . . . . 63 ILE CA . 15564 1 726 . 1 . 1 63 63 ILE CB C 13 37.012 0.000 . 1 . . . . . 63 ILE CB . 15564 1 727 . 1 . 1 63 63 ILE CD1 C 13 13.413 0.000 . 1 . . . . . 63 ILE CD1 . 15564 1 728 . 1 . 1 63 63 ILE CG1 C 13 28.944 0.000 . 1 . . . . . 63 ILE CG1 . 15564 1 729 . 1 . 1 63 63 ILE CG2 C 13 17.811 0.000 . 1 . . . . . 63 ILE CG2 . 15564 1 730 . 1 . 1 63 63 ILE N N 15 118.830 0.000 . 1 . . . . . 63 ILE N . 15564 1 731 . 1 . 1 64 64 PRO HA H 1 4.631 0.000 . 1 . . . . . 64 PRO HA . 15564 1 732 . 1 . 1 64 64 PRO HB2 H 1 2.146 0.014 . 2 . . . . . 64 PRO HB2 . 15564 1 733 . 1 . 1 64 64 PRO HB3 H 1 2.201 0.014 . 2 . . . . . 64 PRO HB3 . 15564 1 734 . 1 . 1 64 64 PRO HD2 H 1 4.044 0.000 . 2 . . . . . 64 PRO HD2 . 15564 1 735 . 1 . 1 64 64 PRO HD3 H 1 3.926 0.000 . 2 . . . . . 64 PRO HD3 . 15564 1 736 . 1 . 1 64 64 PRO HG2 H 1 2.166 0.014 . 2 . . . . . 64 PRO HG2 . 15564 1 737 . 1 . 1 64 64 PRO HG3 H 1 2.407 0.014 . 2 . . . . . 64 PRO HG3 . 15564 1 738 . 1 . 1 64 64 PRO CA C 13 65.326 0.000 . 1 . . . . . 64 PRO CA . 15564 1 739 . 1 . 1 64 64 PRO CB C 13 32.160 0.000 . 1 . . . . . 64 PRO CB . 15564 1 740 . 1 . 1 64 64 PRO CD C 13 50.165 0.000 . 1 . . . . . 64 PRO CD . 15564 1 741 . 1 . 1 64 64 PRO CG C 13 28.427 0.000 . 1 . . . . . 64 PRO CG . 15564 1 742 . 1 . 1 65 65 MET H H 1 8.017 0.000 . 1 . . . . . 65 MET H . 15564 1 743 . 1 . 1 65 65 MET HA H 1 4.444 0.000 . 1 . . . . . 65 MET HA . 15564 1 744 . 1 . 1 65 65 MET HB2 H 1 2.364 0.000 . 2 . . . . . 65 MET HB2 . 15564 1 745 . 1 . 1 65 65 MET HB3 H 1 2.263 0.000 . 2 . . . . . 65 MET HB3 . 15564 1 746 . 1 . 1 65 65 MET HG2 H 1 2.919 0.000 . 2 . . . . . 65 MET HG2 . 15564 1 747 . 1 . 1 65 65 MET HG3 H 1 2.832 0.000 . 2 . . . . . 65 MET HG3 . 15564 1 748 . 1 . 1 65 65 MET CA C 13 58.386 0.000 . 1 . . . . . 65 MET CA . 15564 1 749 . 1 . 1 65 65 MET CB C 13 32.733 0.000 . 1 . . . . . 65 MET CB . 15564 1 750 . 1 . 1 65 65 MET CG C 13 32.666 0.000 . 1 . . . . . 65 MET CG . 15564 1 751 . 1 . 1 65 65 MET N N 15 116.632 0.000 . 1 . . . . . 65 MET N . 15564 1 752 . 1 . 1 66 66 ILE H H 1 8.270 0.000 . 1 . . . . . 66 ILE H . 15564 1 753 . 1 . 1 66 66 ILE HA H 1 4.081 0.000 . 1 . . . . . 66 ILE HA . 15564 1 754 . 1 . 1 66 66 ILE HB H 1 2.241 0.000 . 1 . . . . . 66 ILE HB . 15564 1 755 . 1 . 1 66 66 ILE HD11 H 1 1.110 0.000 . 1 . . . . . 66 ILE QD1 . 15564 1 756 . 1 . 1 66 66 ILE HD12 H 1 1.110 0.000 . 1 . . . . . 66 ILE QD1 . 15564 1 757 . 1 . 1 66 66 ILE HD13 H 1 1.110 0.000 . 1 . . . . . 66 ILE QD1 . 15564 1 758 . 1 . 1 66 66 ILE HG12 H 1 1.932 0.000 . 2 . . . . . 66 ILE HG12 . 15564 1 759 . 1 . 1 66 66 ILE HG13 H 1 1.448 0.000 . 2 . . . . . 66 ILE HG13 . 15564 1 760 . 1 . 1 66 66 ILE HG21 H 1 1.158 0.000 . 1 . . . . . 66 ILE QG2 . 15564 1 761 . 1 . 1 66 66 ILE HG22 H 1 1.158 0.000 . 1 . . . . . 66 ILE QG2 . 15564 1 762 . 1 . 1 66 66 ILE HG23 H 1 1.158 0.000 . 1 . . . . . 66 ILE QG2 . 15564 1 763 . 1 . 1 66 66 ILE CA C 13 64.418 0.000 . 1 . . . . . 66 ILE CA . 15564 1 764 . 1 . 1 66 66 ILE CB C 13 38.033 0.000 . 1 . . . . . 66 ILE CB . 15564 1 765 . 1 . 1 66 66 ILE CD1 C 13 13.413 0.000 . 1 . . . . . 66 ILE CD1 . 15564 1 766 . 1 . 1 66 66 ILE CG1 C 13 28.944 0.000 . 1 . . . . . 66 ILE CG1 . 15564 1 767 . 1 . 1 66 66 ILE CG2 C 13 17.725 0.000 . 1 . . . . . 66 ILE CG2 . 15564 1 768 . 1 . 1 66 66 ILE N N 15 120.148 0.000 . 1 . . . . . 66 ILE N . 15564 1 769 . 1 . 1 67 67 ALA H H 1 8.343 0.000 . 1 . . . . . 67 ALA H . 15564 1 770 . 1 . 1 67 67 ALA HA H 1 4.273 0.000 . 1 . . . . . 67 ALA HA . 15564 1 771 . 1 . 1 67 67 ALA HB1 H 1 1.726 0.000 . 1 . . . . . 67 ALA QB . 15564 1 772 . 1 . 1 67 67 ALA HB2 H 1 1.726 0.000 . 1 . . . . . 67 ALA QB . 15564 1 773 . 1 . 1 67 67 ALA HB3 H 1 1.726 0.000 . 1 . . . . . 67 ALA QB . 15564 1 774 . 1 . 1 67 67 ALA CA C 13 55.219 0.000 . 1 . . . . . 67 ALA CA . 15564 1 775 . 1 . 1 67 67 ALA CB C 13 18.559 0.000 . 1 . . . . . 67 ALA CB . 15564 1 776 . 1 . 1 67 67 ALA N N 15 122.654 0.000 . 1 . . . . . 67 ALA N . 15564 1 777 . 1 . 1 68 68 VAL H H 1 8.075 0.000 . 1 . . . . . 68 VAL H . 15564 1 778 . 1 . 1 68 68 VAL HA H 1 4.001 0.000 . 1 . . . . . 68 VAL HA . 15564 1 779 . 1 . 1 68 68 VAL HB H 1 2.426 0.000 . 1 . . . . . 68 VAL HB . 15564 1 780 . 1 . 1 68 68 VAL HG11 H 1 1.314 0.000 . 2 . . . . . 68 VAL QG1 . 15564 1 781 . 1 . 1 68 68 VAL HG12 H 1 1.314 0.000 . 2 . . . . . 68 VAL QG1 . 15564 1 782 . 1 . 1 68 68 VAL HG13 H 1 1.314 0.000 . 2 . . . . . 68 VAL QG1 . 15564 1 783 . 1 . 1 68 68 VAL HG21 H 1 1.203 0.000 . 2 . . . . . 68 VAL QG2 . 15564 1 784 . 1 . 1 68 68 VAL HG22 H 1 1.203 0.000 . 2 . . . . . 68 VAL QG2 . 15564 1 785 . 1 . 1 68 68 VAL HG23 H 1 1.203 0.000 . 2 . . . . . 68 VAL QG2 . 15564 1 786 . 1 . 1 68 68 VAL CA C 13 66.093 0.000 . 1 . . . . . 68 VAL CA . 15564 1 787 . 1 . 1 68 68 VAL CB C 13 32.043 0.000 . 1 . . . . . 68 VAL CB . 15564 1 788 . 1 . 1 68 68 VAL CG1 C 13 22.922 0.000 . 1 . . . . . 68 VAL CG1 . 15564 1 789 . 1 . 1 68 68 VAL CG2 C 13 21.313 0.000 . 1 . . . . . 68 VAL CG2 . 15564 1 790 . 1 . 1 68 68 VAL N N 15 117.189 0.000 . 1 . . . . . 68 VAL N . 15564 1 791 . 1 . 1 69 69 GLY H H 1 8.340 0.000 . 1 . . . . . 69 GLY H . 15564 1 792 . 1 . 1 69 69 GLY HA2 H 1 4.061 0.000 . 2 . . . . . 69 GLY HA2 . 15564 1 793 . 1 . 1 69 69 GLY HA3 H 1 4.061 0.000 . 2 . . . . . 69 GLY HA3 . 15564 1 794 . 1 . 1 69 69 GLY CA C 13 47.467 0.000 . 1 . . . . . 69 GLY CA . 15564 1 795 . 1 . 1 69 69 GLY N N 15 106.166 0.000 . 1 . . . . . 69 GLY N . 15564 1 796 . 1 . 1 70 70 LEU H H 1 8.551 0.000 . 1 . . . . . 70 LEU H . 15564 1 797 . 1 . 1 70 70 LEU HA H 1 4.501 0.000 . 1 . . . . . 70 LEU HA . 15564 1 798 . 1 . 1 70 70 LEU HB2 H 1 2.074 0.000 . 2 . . . . . 70 LEU HB2 . 15564 1 799 . 1 . 1 70 70 LEU HB3 H 1 1.917 0.000 . 2 . . . . . 70 LEU HB3 . 15564 1 800 . 1 . 1 70 70 LEU HD11 H 1 1.110 0.000 . 2 . . . . . 70 LEU QD1 . 15564 1 801 . 1 . 1 70 70 LEU HD12 H 1 1.110 0.000 . 2 . . . . . 70 LEU QD1 . 15564 1 802 . 1 . 1 70 70 LEU HD13 H 1 1.110 0.000 . 2 . . . . . 70 LEU QD1 . 15564 1 803 . 1 . 1 70 70 LEU HD21 H 1 1.140 0.000 . 2 . . . . . 70 LEU QD2 . 15564 1 804 . 1 . 1 70 70 LEU HD22 H 1 1.140 0.000 . 2 . . . . . 70 LEU QD2 . 15564 1 805 . 1 . 1 70 70 LEU HD23 H 1 1.140 0.000 . 2 . . . . . 70 LEU QD2 . 15564 1 806 . 1 . 1 70 70 LEU HG H 1 1.890 0.000 . 1 . . . . . 70 LEU HG . 15564 1 807 . 1 . 1 70 70 LEU CA C 13 57.630 0.000 . 1 . . . . . 70 LEU CA . 15564 1 808 . 1 . 1 70 70 LEU CB C 13 42.048 0.000 . 1 . . . . . 70 LEU CB . 15564 1 809 . 1 . 1 70 70 LEU CD1 C 13 24.733 0.000 . 1 . . . . . 70 LEU CD1 . 15564 1 810 . 1 . 1 70 70 LEU CD2 C 13 23.769 0.000 . 1 . . . . . 70 LEU CD2 . 15564 1 811 . 1 . 1 70 70 LEU CG C 13 26.773 0.000 . 1 . . . . . 70 LEU CG . 15564 1 812 . 1 . 1 70 70 LEU N N 15 121.513 0.000 . 1 . . . . . 70 LEU N . 15564 1 813 . 1 . 1 71 71 GLY H H 1 8.345 0.000 . 1 . . . . . 71 GLY H . 15564 1 814 . 1 . 1 71 71 GLY HA2 H 1 4.081 0.000 . 2 . . . . . 71 GLY HA2 . 15564 1 815 . 1 . 1 71 71 GLY HA3 H 1 4.081 0.000 . 2 . . . . . 71 GLY HA3 . 15564 1 816 . 1 . 1 71 71 GLY CA C 13 47.260 0.000 . 1 . . . . . 71 GLY CA . 15564 1 817 . 1 . 1 71 71 GLY N N 15 104.720 0.000 . 1 . . . . . 71 GLY N . 15564 1 818 . 1 . 1 72 72 LEU H H 1 8.268 0.000 . 1 . . . . . 72 LEU H . 15564 1 819 . 1 . 1 72 72 LEU HA H 1 4.380 0.000 . 1 . . . . . 72 LEU HA . 15564 1 820 . 1 . 1 72 72 LEU HB2 H 1 2.133 0.000 . 2 . . . . . 72 LEU HB2 . 15564 1 821 . 1 . 1 72 72 LEU HB3 H 1 1.744 0.000 . 2 . . . . . 72 LEU HB3 . 15564 1 822 . 1 . 1 72 72 LEU HD11 H 1 1.158 0.000 . 2 . . . . . 72 LEU QD1 . 15564 1 823 . 1 . 1 72 72 LEU HD12 H 1 1.158 0.000 . 2 . . . . . 72 LEU QD1 . 15564 1 824 . 1 . 1 72 72 LEU HD13 H 1 1.158 0.000 . 2 . . . . . 72 LEU QD1 . 15564 1 825 . 1 . 1 72 72 LEU HD21 H 1 1.128 0.000 . 2 . . . . . 72 LEU QD2 . 15564 1 826 . 1 . 1 72 72 LEU HD22 H 1 1.128 0.000 . 2 . . . . . 72 LEU QD2 . 15564 1 827 . 1 . 1 72 72 LEU HD23 H 1 1.128 0.000 . 2 . . . . . 72 LEU QD2 . 15564 1 828 . 1 . 1 72 72 LEU HG H 1 2.063 0.000 . 1 . . . . . 72 LEU HG . 15564 1 829 . 1 . 1 72 72 LEU CA C 13 57.555 0.000 . 1 . . . . . 72 LEU CA . 15564 1 830 . 1 . 1 72 72 LEU CB C 13 42.237 0.000 . 1 . . . . . 72 LEU CB . 15564 1 831 . 1 . 1 72 72 LEU CD1 C 13 25.763 0.000 . 1 . . . . . 72 LEU CD1 . 15564 1 832 . 1 . 1 72 72 LEU CD2 C 13 23.467 0.000 . 1 . . . . . 72 LEU CD2 . 15564 1 833 . 1 . 1 72 72 LEU CG C 13 26.959 0.000 . 1 . . . . . 72 LEU CG . 15564 1 834 . 1 . 1 72 72 LEU N N 15 121.296 0.000 . 1 . . . . . 72 LEU N . 15564 1 835 . 1 . 1 73 73 TYR H H 1 8.171 0.000 . 1 . . . . . 73 TYR H . 15564 1 836 . 1 . 1 73 73 TYR HA H 1 4.462 0.000 . 1 . . . . . 73 TYR HA . 15564 1 837 . 1 . 1 73 73 TYR HB2 H 1 3.354 0.000 . 2 . . . . . 73 TYR HB2 . 15564 1 838 . 1 . 1 73 73 TYR HB3 H 1 3.494 0.000 . 2 . . . . . 73 TYR HB3 . 15564 1 839 . 1 . 1 73 73 TYR HD1 H 1 7.262 0.000 . 1 . . . . . 73 TYR HD1 . 15564 1 840 . 1 . 1 73 73 TYR HD2 H 1 7.262 0.000 . 1 . . . . . 73 TYR HD2 . 15564 1 841 . 1 . 1 73 73 TYR HE1 H 1 6.987 0.000 . 1 . . . . . 73 TYR HE1 . 15564 1 842 . 1 . 1 73 73 TYR HE2 H 1 6.987 0.000 . 1 . . . . . 73 TYR HE2 . 15564 1 843 . 1 . 1 73 73 TYR CA C 13 61.424 0.000 . 1 . . . . . 73 TYR CA . 15564 1 844 . 1 . 1 73 73 TYR CB C 13 38.690 0.000 . 1 . . . . . 73 TYR CB . 15564 1 845 . 1 . 1 73 73 TYR CD1 C 13 132.355 0.000 . 1 . . . . . 73 TYR CD1 . 15564 1 846 . 1 . 1 73 73 TYR CE1 C 13 117.813 0.000 . 1 . . . . . 73 TYR CE1 . 15564 1 847 . 1 . 1 73 73 TYR N N 15 118.814 0.000 . 1 . . . . . 73 TYR N . 15564 1 848 . 1 . 1 74 74 VAL H H 1 8.172 0.000 . 1 . . . . . 74 VAL H . 15564 1 849 . 1 . 1 74 74 VAL HA H 1 3.913 0.000 . 1 . . . . . 74 VAL HA . 15564 1 850 . 1 . 1 74 74 VAL HB H 1 2.435 0.000 . 1 . . . . . 74 VAL HB . 15564 1 851 . 1 . 1 74 74 VAL HG11 H 1 1.324 0.000 . 2 . . . . . 74 VAL QG1 . 15564 1 852 . 1 . 1 74 74 VAL HG12 H 1 1.324 0.000 . 2 . . . . . 74 VAL QG1 . 15564 1 853 . 1 . 1 74 74 VAL HG13 H 1 1.324 0.000 . 2 . . . . . 74 VAL QG1 . 15564 1 854 . 1 . 1 74 74 VAL HG21 H 1 1.176 0.000 . 2 . . . . . 74 VAL QG2 . 15564 1 855 . 1 . 1 74 74 VAL HG22 H 1 1.176 0.000 . 2 . . . . . 74 VAL QG2 . 15564 1 856 . 1 . 1 74 74 VAL HG23 H 1 1.176 0.000 . 2 . . . . . 74 VAL QG2 . 15564 1 857 . 1 . 1 74 74 VAL CA C 13 65.416 0.000 . 1 . . . . . 74 VAL CA . 15564 1 858 . 1 . 1 74 74 VAL CB C 13 32.086 0.000 . 1 . . . . . 74 VAL CB . 15564 1 859 . 1 . 1 74 74 VAL CG1 C 13 21.672 0.000 . 1 . . . . . 74 VAL CG1 . 15564 1 860 . 1 . 1 74 74 VAL CG2 C 13 21.590 0.000 . 1 . . . . . 74 VAL CG2 . 15564 1 861 . 1 . 1 74 74 VAL N N 15 116.652 0.000 . 1 . . . . . 74 VAL N . 15564 1 862 . 1 . 1 75 75 MET H H 1 7.990 0.000 . 1 . . . . . 75 MET H . 15564 1 863 . 1 . 1 75 75 MET HA H 1 4.310 0.000 . 1 . . . . . 75 MET HA . 15564 1 864 . 1 . 1 75 75 MET HB2 H 1 2.239 0.000 . 2 . . . . . 75 MET HB2 . 15564 1 865 . 1 . 1 75 75 MET HB3 H 1 2.122 0.000 . 2 . . . . . 75 MET HB3 . 15564 1 866 . 1 . 1 75 75 MET HG2 H 1 2.515 0.000 . 2 . . . . . 75 MET HG2 . 15564 1 867 . 1 . 1 75 75 MET HG3 H 1 2.679 0.000 . 2 . . . . . 75 MET HG3 . 15564 1 868 . 1 . 1 75 75 MET CA C 13 58.182 0.000 . 1 . . . . . 75 MET CA . 15564 1 869 . 1 . 1 75 75 MET CB C 13 32.666 0.000 . 1 . . . . . 75 MET CB . 15564 1 870 . 1 . 1 75 75 MET CG C 13 32.073 0.000 . 1 . . . . . 75 MET CG . 15564 1 871 . 1 . 1 75 75 MET N N 15 118.312 0.000 . 1 . . . . . 75 MET N . 15564 1 872 . 1 . 1 76 76 PHE H H 1 7.940 0.000 . 1 . . . . . 76 PHE H . 15564 1 873 . 1 . 1 76 76 PHE HA H 1 4.792 0.000 . 1 . . . . . 76 PHE HA . 15564 1 874 . 1 . 1 76 76 PHE HB2 H 1 3.432 0.000 . 2 . . . . . 76 PHE HB2 . 15564 1 875 . 1 . 1 76 76 PHE HB3 H 1 3.185 0.000 . 2 . . . . . 76 PHE HB3 . 15564 1 876 . 1 . 1 76 76 PHE HD1 H 1 7.529 0.000 . 1 . . . . . 76 PHE HD1 . 15564 1 877 . 1 . 1 76 76 PHE HD2 H 1 7.529 0.000 . 1 . . . . . 76 PHE HD2 . 15564 1 878 . 1 . 1 76 76 PHE HE1 H 1 7.389 0.014 . 1 . . . . . 76 PHE HE1 . 15564 1 879 . 1 . 1 76 76 PHE HE2 H 1 7.389 0.014 . 1 . . . . . 76 PHE HE2 . 15564 1 880 . 1 . 1 76 76 PHE HZ H 1 6.934 0.014 . 1 . . . . . 76 PHE HZ . 15564 1 881 . 1 . 1 76 76 PHE CA C 13 58.858 0.000 . 1 . . . . . 76 PHE CA . 15564 1 882 . 1 . 1 76 76 PHE CB C 13 39.865 0.000 . 1 . . . . . 76 PHE CB . 15564 1 883 . 1 . 1 76 76 PHE CD1 C 13 131.092 0.000 . 1 . . . . . 76 PHE CD1 . 15564 1 884 . 1 . 1 76 76 PHE CE1 C 13 128.783 0.000 . 1 . . . . . 76 PHE CE1 . 15564 1 885 . 1 . 1 76 76 PHE CZ C 13 129.113 0.000 . 1 . . . . . 76 PHE CZ . 15564 1 886 . 1 . 1 76 76 PHE N N 15 116.142 0.000 . 1 . . . . . 76 PHE N . 15564 1 887 . 1 . 1 77 77 ALA H H 1 8.165 0.000 . 1 . . . . . 77 ALA H . 15564 1 888 . 1 . 1 77 77 ALA HA H 1 4.479 0.000 . 1 . . . . . 77 ALA HA . 15564 1 889 . 1 . 1 77 77 ALA HB1 H 1 1.446 0.000 . 1 . . . . . 77 ALA QB . 15564 1 890 . 1 . 1 77 77 ALA HB2 H 1 1.446 0.000 . 1 . . . . . 77 ALA QB . 15564 1 891 . 1 . 1 77 77 ALA HB3 H 1 1.446 0.000 . 1 . . . . . 77 ALA QB . 15564 1 892 . 1 . 1 77 77 ALA CA C 13 53.167 0.000 . 1 . . . . . 77 ALA CA . 15564 1 893 . 1 . 1 77 77 ALA CB C 13 19.512 0.000 . 1 . . . . . 77 ALA CB . 15564 1 894 . 1 . 1 77 77 ALA N N 15 123.066 0.000 . 1 . . . . . 77 ALA N . 15564 1 895 . 1 . 1 78 78 VAL H H 1 7.790 0.000 . 1 . . . . . 78 VAL H . 15564 1 896 . 1 . 1 78 78 VAL HA H 1 4.386 0.000 . 1 . . . . . 78 VAL HA . 15564 1 897 . 1 . 1 78 78 VAL HB H 1 2.435 0.000 . 1 . . . . . 78 VAL HB . 15564 1 898 . 1 . 1 78 78 VAL HG11 H 1 1.148 0.000 . 2 . . . . . 78 VAL QG1 . 15564 1 899 . 1 . 1 78 78 VAL HG12 H 1 1.148 0.000 . 2 . . . . . 78 VAL QG1 . 15564 1 900 . 1 . 1 78 78 VAL HG13 H 1 1.148 0.000 . 2 . . . . . 78 VAL QG1 . 15564 1 901 . 1 . 1 78 78 VAL HG21 H 1 1.148 0.000 . 2 . . . . . 78 VAL QG2 . 15564 1 902 . 1 . 1 78 78 VAL HG22 H 1 1.148 0.000 . 2 . . . . . 78 VAL QG2 . 15564 1 903 . 1 . 1 78 78 VAL HG23 H 1 1.148 0.000 . 2 . . . . . 78 VAL QG2 . 15564 1 904 . 1 . 1 78 78 VAL CA C 13 62.213 0.000 . 1 . . . . . 78 VAL CA . 15564 1 905 . 1 . 1 78 78 VAL CB C 13 32.809 0.000 . 1 . . . . . 78 VAL CB . 15564 1 906 . 1 . 1 78 78 VAL CG1 C 13 20.452 0.000 . 1 . . . . . 78 VAL CG1 . 15564 1 907 . 1 . 1 78 78 VAL CG2 C 13 20.519 0.000 . 1 . . . . . 78 VAL CG2 . 15564 1 908 . 1 . 1 78 78 VAL N N 15 115.832 0.000 . 1 . . . . . 78 VAL N . 15564 1 909 . 1 . 1 79 79 ALA H H 1 7.874 0.000 . 1 . . . . . 79 ALA H . 15564 1 910 . 1 . 1 79 79 ALA HA H 1 4.351 0.000 . 1 . . . . . 79 ALA HA . 15564 1 911 . 1 . 1 79 79 ALA HB1 H 1 1.566 0.000 . 1 . . . . . 79 ALA QB . 15564 1 912 . 1 . 1 79 79 ALA HB2 H 1 1.566 0.000 . 1 . . . . . 79 ALA QB . 15564 1 913 . 1 . 1 79 79 ALA HB3 H 1 1.566 0.000 . 1 . . . . . 79 ALA QB . 15564 1 914 . 1 . 1 79 79 ALA CA C 13 53.837 0.000 . 1 . . . . . 79 ALA CA . 15564 1 915 . 1 . 1 79 79 ALA CB C 13 20.648 0.000 . 1 . . . . . 79 ALA CB . 15564 1 916 . 1 . 1 79 79 ALA N N 15 133.921 0.000 . 1 . . . . . 79 ALA N . 15564 1 stop_ save_