data_15587 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15587 _Entry.Title ; 1H, 13C and 15N resonance assignment of Urm1 from Trypanosoma.brucei ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-12-11 _Entry.Accession_date 2007-12-11 _Entry.Last_release_date 2007-12-11 _Entry.Original_release_date 2007-12-11 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.0.8.112 _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 Wen Zhang . . . . 15587 2 Husheng Ding . . . . 15587 3 Jiahai Zhang . . . . 15587 4 xiaoming Tu . . . . 15587 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15587 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 397 15587 '15N chemical shifts' 98 15587 '1H chemical shifts' 617 15587 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 4 . . 2022-03-30 2007-12-11 update BMRB 'update Polymer_type' 15587 3 . . 2009-08-13 2007-12-11 update BMRB 'added PubMed ID' 15587 2 . . 2008-06-05 2007-12-11 update BMRB 'complete entry citation' 15587 1 . . 2008-03-31 2007-12-11 original author 'original release' 15587 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 15587 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 19636925 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N resonance assignment of Urm1 from Trypanosoma brucei ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 2 _Citation.Journal_issue 1 _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 59 _Citation.Page_last 60 _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 Wen Zhang . . . . 15587 1 2 Husheng Ding . . . . 15587 1 3 Jiahai Zhang . . . . 15587 1 4 Xiaoming Tu . . . . 15587 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15587 _Assembly.ID 1 _Assembly.Name 'ubiquitin-related modifier' _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 1' 1 $ubiquitin-related_modifier A . yes native no no . . . 15587 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ubiquitin-related_modifier _Entity.Sf_category entity _Entity.Sf_framecode ubiquitin-related_modifier _Entity.Entry_ID 15587 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ubiquitin-related_modifier _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 ; MSNHNHITVQFAGGCELLFA KQTSLQLDGVVPTGTNLNGL VQLLKTNYVKERPDLLVDQT GQTLRPGILVLVNSCDAEVV GGMDYVLNDGDTVEFISTLH GGLEHHHHHH ; _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 110 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _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 . 15587 1 2 . SER . 15587 1 3 . ASN . 15587 1 4 . HIS . 15587 1 5 . ASN . 15587 1 6 . HIS . 15587 1 7 . ILE . 15587 1 8 . THR . 15587 1 9 . VAL . 15587 1 10 . GLN . 15587 1 11 . PHE . 15587 1 12 . ALA . 15587 1 13 . GLY . 15587 1 14 . GLY . 15587 1 15 . CYS . 15587 1 16 . GLU . 15587 1 17 . LEU . 15587 1 18 . LEU . 15587 1 19 . PHE . 15587 1 20 . ALA . 15587 1 21 . LYS . 15587 1 22 . GLN . 15587 1 23 . THR . 15587 1 24 . SER . 15587 1 25 . LEU . 15587 1 26 . GLN . 15587 1 27 . LEU . 15587 1 28 . ASP . 15587 1 29 . GLY . 15587 1 30 . VAL . 15587 1 31 . VAL . 15587 1 32 . PRO . 15587 1 33 . THR . 15587 1 34 . GLY . 15587 1 35 . THR . 15587 1 36 . ASN . 15587 1 37 . LEU . 15587 1 38 . ASN . 15587 1 39 . GLY . 15587 1 40 . LEU . 15587 1 41 . VAL . 15587 1 42 . GLN . 15587 1 43 . LEU . 15587 1 44 . LEU . 15587 1 45 . LYS . 15587 1 46 . THR . 15587 1 47 . ASN . 15587 1 48 . TYR . 15587 1 49 . VAL . 15587 1 50 . LYS . 15587 1 51 . GLU . 15587 1 52 . ARG . 15587 1 53 . PRO . 15587 1 54 . ASP . 15587 1 55 . LEU . 15587 1 56 . LEU . 15587 1 57 . VAL . 15587 1 58 . ASP . 15587 1 59 . GLN . 15587 1 60 . THR . 15587 1 61 . GLY . 15587 1 62 . GLN . 15587 1 63 . THR . 15587 1 64 . LEU . 15587 1 65 . ARG . 15587 1 66 . PRO . 15587 1 67 . GLY . 15587 1 68 . ILE . 15587 1 69 . LEU . 15587 1 70 . VAL . 15587 1 71 . LEU . 15587 1 72 . VAL . 15587 1 73 . ASN . 15587 1 74 . SER . 15587 1 75 . CYS . 15587 1 76 . ASP . 15587 1 77 . ALA . 15587 1 78 . GLU . 15587 1 79 . VAL . 15587 1 80 . VAL . 15587 1 81 . GLY . 15587 1 82 . GLY . 15587 1 83 . MET . 15587 1 84 . ASP . 15587 1 85 . TYR . 15587 1 86 . VAL . 15587 1 87 . LEU . 15587 1 88 . ASN . 15587 1 89 . ASP . 15587 1 90 . GLY . 15587 1 91 . ASP . 15587 1 92 . THR . 15587 1 93 . VAL . 15587 1 94 . GLU . 15587 1 95 . PHE . 15587 1 96 . ILE . 15587 1 97 . SER . 15587 1 98 . THR . 15587 1 99 . LEU . 15587 1 100 . HIS . 15587 1 101 . GLY . 15587 1 102 . GLY . 15587 1 103 . LEU . 15587 1 104 . GLU . 15587 1 105 . HIS . 15587 1 106 . HIS . 15587 1 107 . HIS . 15587 1 108 . HIS . 15587 1 109 . HIS . 15587 1 110 . HIS . 15587 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 15587 1 . SER 2 2 15587 1 . ASN 3 3 15587 1 . HIS 4 4 15587 1 . ASN 5 5 15587 1 . HIS 6 6 15587 1 . ILE 7 7 15587 1 . THR 8 8 15587 1 . VAL 9 9 15587 1 . GLN 10 10 15587 1 . PHE 11 11 15587 1 . ALA 12 12 15587 1 . GLY 13 13 15587 1 . GLY 14 14 15587 1 . CYS 15 15 15587 1 . GLU 16 16 15587 1 . LEU 17 17 15587 1 . LEU 18 18 15587 1 . PHE 19 19 15587 1 . ALA 20 20 15587 1 . LYS 21 21 15587 1 . GLN 22 22 15587 1 . THR 23 23 15587 1 . SER 24 24 15587 1 . LEU 25 25 15587 1 . GLN 26 26 15587 1 . LEU 27 27 15587 1 . ASP 28 28 15587 1 . GLY 29 29 15587 1 . VAL 30 30 15587 1 . VAL 31 31 15587 1 . PRO 32 32 15587 1 . THR 33 33 15587 1 . GLY 34 34 15587 1 . THR 35 35 15587 1 . ASN 36 36 15587 1 . LEU 37 37 15587 1 . ASN 38 38 15587 1 . GLY 39 39 15587 1 . LEU 40 40 15587 1 . VAL 41 41 15587 1 . GLN 42 42 15587 1 . LEU 43 43 15587 1 . LEU 44 44 15587 1 . LYS 45 45 15587 1 . THR 46 46 15587 1 . ASN 47 47 15587 1 . TYR 48 48 15587 1 . VAL 49 49 15587 1 . LYS 50 50 15587 1 . GLU 51 51 15587 1 . ARG 52 52 15587 1 . PRO 53 53 15587 1 . ASP 54 54 15587 1 . LEU 55 55 15587 1 . LEU 56 56 15587 1 . VAL 57 57 15587 1 . ASP 58 58 15587 1 . GLN 59 59 15587 1 . THR 60 60 15587 1 . GLY 61 61 15587 1 . GLN 62 62 15587 1 . THR 63 63 15587 1 . LEU 64 64 15587 1 . ARG 65 65 15587 1 . PRO 66 66 15587 1 . GLY 67 67 15587 1 . ILE 68 68 15587 1 . LEU 69 69 15587 1 . VAL 70 70 15587 1 . LEU 71 71 15587 1 . VAL 72 72 15587 1 . ASN 73 73 15587 1 . SER 74 74 15587 1 . CYS 75 75 15587 1 . ASP 76 76 15587 1 . ALA 77 77 15587 1 . GLU 78 78 15587 1 . VAL 79 79 15587 1 . VAL 80 80 15587 1 . GLY 81 81 15587 1 . GLY 82 82 15587 1 . MET 83 83 15587 1 . ASP 84 84 15587 1 . TYR 85 85 15587 1 . VAL 86 86 15587 1 . LEU 87 87 15587 1 . ASN 88 88 15587 1 . ASP 89 89 15587 1 . GLY 90 90 15587 1 . ASP 91 91 15587 1 . THR 92 92 15587 1 . VAL 93 93 15587 1 . GLU 94 94 15587 1 . PHE 95 95 15587 1 . ILE 96 96 15587 1 . SER 97 97 15587 1 . THR 98 98 15587 1 . LEU 99 99 15587 1 . HIS 100 100 15587 1 . GLY 101 101 15587 1 . GLY 102 102 15587 1 . LEU 103 103 15587 1 . GLU 104 104 15587 1 . HIS 105 105 15587 1 . HIS 106 106 15587 1 . HIS 107 107 15587 1 . HIS 108 108 15587 1 . HIS 109 109 15587 1 . HIS 110 110 15587 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 15587 _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 $ubiquitin-related_modifier . 5691 organism . 'Trypanosoma brucei' 'Trypanosoma brucei' . . Eukaryota . Trypanosoma brucei . . . . . . . . . . . . . 15587 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 15587 _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 $ubiquitin-related_modifier . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . PET-22b(+) . . . 15587 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15587 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'ubiquitin-related modifier' 'natural abundance' . . 1 $ubiquitin-related_modifier . . 0.8-1 . . mM . . . . 15587 1 2 NaH2PO4 'natural abundance' . . . . . . 50 . . mM . . . . 15587 1 3 NaCL 'natural abundance' . . . . . . 100 . . mM . . . . 15587 1 4 EDTA 'natural abundance' . . . . . . 1.5 . . mM . . . . 15587 1 5 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15587 1 6 H2O . . . . . . . 90 . . % . . . . 15587 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 15587 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 15587 1 pH 6.5 . pH 15587 1 pressure 1 . atm 15587 1 temperature 298 . K 15587 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15587 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15587 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 15587 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15587 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15587 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 600 . . . 15587 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 15587 _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 . . . . . . . . . . . . . . . . . 15587 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 15587 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 15587 1 4 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 15587 1 5 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 15587 1 6 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 15587 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 15587 1 8 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 15587 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 15587 _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 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . 15587 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 15587 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . 15587 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 15587 _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' . . . 15587 1 3 '3D CBCA(CO)NH' . . . 15587 1 5 '3D HNCO' . . . 15587 1 6 '3D HNCACB' . . . 15587 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 HA H 1 4.06 0.01 . 1 . . . . . 1 MET HA . 15587 1 2 . 1 . 1 1 1 MET HB2 H 1 1.996 0.01 . 1 . . . . . 1 MET HB2 . 15587 1 3 . 1 . 1 1 1 MET HB3 H 1 1.996 0.01 . 1 . . . . . 1 MET HB3 . 15587 1 4 . 1 . 1 1 1 MET C C 13 176.310 0.1 . 1 . . . . . 1 MET C . 15587 1 5 . 1 . 1 1 1 MET CA C 13 55.73 0.1 . 1 . . . . . 1 MET CA . 15587 1 6 . 1 . 1 1 1 MET CB C 13 29.62 0.1 . 1 . . . . . 1 MET CB . 15587 1 7 . 1 . 1 2 2 SER H H 1 8.206 0.01 . 1 . . . . . 2 SER H . 15587 1 8 . 1 . 1 2 2 SER N N 15 126.498 0.01 . 1 . . . . . 2 SER N . 15587 1 9 . 1 . 1 3 3 ASN HA H 1 5.166 0.01 . 1 . . . . . 3 ASN HA . 15587 1 10 . 1 . 1 3 3 ASN HB2 H 1 2.141 0.01 . 1 . . . . . 3 ASN HB2 . 15587 1 11 . 1 . 1 3 3 ASN HB3 H 1 2.053 0.01 . 1 . . . . . 3 ASN HB3 . 15587 1 12 . 1 . 1 3 3 ASN C C 13 175.527 0.01 . 1 . . . . . 3 ASN C . 15587 1 13 . 1 . 1 3 3 ASN CA C 13 51.466 0.01 . 1 . . . . . 3 ASN CA . 15587 1 14 . 1 . 1 3 3 ASN CB C 13 39.931 0.01 . 1 . . . . . 3 ASN CB . 15587 1 15 . 1 . 1 4 4 HIS H H 1 8.859 0.01 . 1 . . . . . 4 HIS H . 15587 1 16 . 1 . 1 4 4 HIS HA H 1 4.165 0.1 . 1 . . . . . 4 HIS HA . 15587 1 17 . 1 . 1 4 4 HIS HB2 H 1 2.179 0.1 . 1 . . . . . 4 HIS HB2 . 15587 1 18 . 1 . 1 4 4 HIS HB3 H 1 2.179 0.1 . 1 . . . . . 4 HIS HB3 . 15587 1 19 . 1 . 1 4 4 HIS C C 13 175.897 0.01 . 1 . . . . . 4 HIS C . 15587 1 20 . 1 . 1 4 4 HIS CA C 13 56.644 0.02 . 1 . . . . . 4 HIS CA . 15587 1 21 . 1 . 1 4 4 HIS CB C 13 30.122 0.01 . 1 . . . . . 4 HIS CB . 15587 1 22 . 1 . 1 4 4 HIS N N 15 120.656 0.01 . 1 . . . . . 4 HIS N . 15587 1 23 . 1 . 1 5 5 ASN H H 1 8.263 0.01 . 1 . . . . . 5 ASN H . 15587 1 24 . 1 . 1 5 5 ASN HA H 1 4.274 0.01 . 1 . . . . . 5 ASN HA . 15587 1 25 . 1 . 1 5 5 ASN HB2 H 1 3.15 0.01 . 1 . . . . . 5 ASN HB2 . 15587 1 26 . 1 . 1 5 5 ASN HB3 H 1 2.47 0.01 . 1 . . . . . 5 ASN HB3 . 15587 1 27 . 1 . 1 5 5 ASN C C 13 177.939 0.01 . 1 . . . . . 5 ASN C . 15587 1 28 . 1 . 1 5 5 ASN CA C 13 57.261 0.02 . 1 . . . . . 5 ASN CA . 15587 1 29 . 1 . 1 5 5 ASN CB C 13 38.232 0.02 . 1 . . . . . 5 ASN CB . 15587 1 30 . 1 . 1 5 5 ASN N N 15 121.699 0.01 . 1 . . . . . 5 ASN N . 15587 1 31 . 1 . 1 6 6 HIS H H 1 9.675 0.01 . 1 . . . . . 6 HIS H . 15587 1 32 . 1 . 1 6 6 HIS HA H 1 5.261 0.01 . 1 . . . . . 6 HIS HA . 15587 1 33 . 1 . 1 6 6 HIS HB2 H 1 2.988 0.01 . 1 . . . . . 6 HIS HB2 . 15587 1 34 . 1 . 1 6 6 HIS HB3 H 1 2.988 0.01 . 1 . . . . . 6 HIS HB3 . 15587 1 35 . 1 . 1 6 6 HIS C C 13 171.876 0.01 . 1 . . . . . 6 HIS C . 15587 1 36 . 1 . 1 6 6 HIS CA C 13 56.016 0.01 . 1 . . . . . 6 HIS CA . 15587 1 37 . 1 . 1 6 6 HIS CB C 13 31.324 0.01 . 1 . . . . . 6 HIS CB . 15587 1 38 . 1 . 1 6 6 HIS N N 15 117.245 0.01 . 1 . . . . . 6 HIS N . 15587 1 39 . 1 . 1 7 7 ILE H H 1 7.753 0.1 . 1 . . . . . 7 ILE H . 15587 1 40 . 1 . 1 7 7 ILE HA H 1 4.442 0.01 . 1 . . . . . 7 ILE HA . 15587 1 41 . 1 . 1 7 7 ILE HB H 1 1.917 0.01 . 1 . . . . . 7 ILE HB . 15587 1 42 . 1 . 1 7 7 ILE HD11 H 1 0.654 0.02 . 1 . . . . . 7 ILE HD1 . 15587 1 43 . 1 . 1 7 7 ILE HD12 H 1 0.654 0.02 . 1 . . . . . 7 ILE HD1 . 15587 1 44 . 1 . 1 7 7 ILE HD13 H 1 0.654 0.02 . 1 . . . . . 7 ILE HD1 . 15587 1 45 . 1 . 1 7 7 ILE HG12 H 1 1.489 0.01 . 1 . . . . . 7 ILE HG12 . 15587 1 46 . 1 . 1 7 7 ILE HG13 H 1 1.053 0.01 . 1 . . . . . 7 ILE HG13 . 15587 1 47 . 1 . 1 7 7 ILE HG21 H 1 0.654 0.01 . 1 . . . . . 7 ILE HG2 . 15587 1 48 . 1 . 1 7 7 ILE HG22 H 1 0.654 0.01 . 1 . . . . . 7 ILE HG2 . 15587 1 49 . 1 . 1 7 7 ILE HG23 H 1 0.654 0.01 . 1 . . . . . 7 ILE HG2 . 15587 1 50 . 1 . 1 7 7 ILE C C 13 174.518 0.01 . 1 . . . . . 7 ILE C . 15587 1 51 . 1 . 1 7 7 ILE CA C 13 57.922 0.1 . 1 . . . . . 7 ILE CA . 15587 1 52 . 1 . 1 7 7 ILE CB C 13 39.790 0.2 . 1 . . . . . 7 ILE CB . 15587 1 53 . 1 . 1 7 7 ILE CD1 C 13 9.772 0.01 . 1 . . . . . 7 ILE CD1 . 15587 1 54 . 1 . 1 7 7 ILE CG1 C 13 27.468 0.01 . 1 . . . . . 7 ILE CG1 . 15587 1 55 . 1 . 1 7 7 ILE CG2 C 13 16.707 0.01 . 1 . . . . . 7 ILE CG2 . 15587 1 56 . 1 . 1 7 7 ILE N N 15 126.114 0.1 . 1 . . . . . 7 ILE N . 15587 1 57 . 1 . 1 8 8 THR H H 1 8.238 0.01 . 1 . . . . . 8 THR H . 15587 1 58 . 1 . 1 8 8 THR HA H 1 4.733 0.01 . 1 . . . . . 8 THR HA . 15587 1 59 . 1 . 1 8 8 THR HB H 1 3.958 0.01 . 1 . . . . . 8 THR HB . 15587 1 60 . 1 . 1 8 8 THR HG21 H 1 1.057 0.01 . 1 . . . . . 8 THR HG2 . 15587 1 61 . 1 . 1 8 8 THR HG22 H 1 1.057 0.01 . 1 . . . . . 8 THR HG2 . 15587 1 62 . 1 . 1 8 8 THR HG23 H 1 1.057 0.01 . 1 . . . . . 8 THR HG2 . 15587 1 63 . 1 . 1 8 8 THR C C 13 172.672 0.01 . 1 . . . . . 8 THR C . 15587 1 64 . 1 . 1 8 8 THR CA C 13 62.203 0.1 . 1 . . . . . 8 THR CA . 15587 1 65 . 1 . 1 8 8 THR CB C 13 70.202 0.01 . 1 . . . . . 8 THR CB . 15587 1 66 . 1 . 1 8 8 THR CG2 C 13 22.454 0.01 . 1 . . . . . 8 THR CG2 . 15587 1 67 . 1 . 1 8 8 THR N N 15 123.879 0.1 . 1 . . . . . 8 THR N . 15587 1 68 . 1 . 1 9 9 VAL H H 1 8.717 0.01 . 1 . . . . . 9 VAL H . 15587 1 69 . 1 . 1 9 9 VAL HA H 1 5.165 0.01 . 1 . . . . . 9 VAL HA . 15587 1 70 . 1 . 1 9 9 VAL HB H 1 1.556 0.01 . 1 . . . . . 9 VAL HB . 15587 1 71 . 1 . 1 9 9 VAL HG11 H 1 0.699 0.01 . 1 . . . . . 9 VAL HG1 . 15587 1 72 . 1 . 1 9 9 VAL HG12 H 1 0.699 0.01 . 1 . . . . . 9 VAL HG1 . 15587 1 73 . 1 . 1 9 9 VAL HG13 H 1 0.699 0.01 . 1 . . . . . 9 VAL HG1 . 15587 1 74 . 1 . 1 9 9 VAL HG21 H 1 0.584 0.01 . 1 . . . . . 9 VAL HG2 . 15587 1 75 . 1 . 1 9 9 VAL HG22 H 1 0.584 0.01 . 1 . . . . . 9 VAL HG2 . 15587 1 76 . 1 . 1 9 9 VAL HG23 H 1 0.584 0.01 . 1 . . . . . 9 VAL HG2 . 15587 1 77 . 1 . 1 9 9 VAL C C 13 173.545 0.01 . 1 . . . . . 9 VAL C . 15587 1 78 . 1 . 1 9 9 VAL CA C 13 59.279 0.02 . 1 . . . . . 9 VAL CA . 15587 1 79 . 1 . 1 9 9 VAL CB C 13 33.495 0.2 . 1 . . . . . 9 VAL CB . 15587 1 80 . 1 . 1 9 9 VAL CG1 C 13 24.465 0.01 . 1 . . . . . 9 VAL CG1 . 15587 1 81 . 1 . 1 9 9 VAL CG2 C 13 23.150 0.01 . 1 . . . . . 9 VAL CG2 . 15587 1 82 . 1 . 1 9 9 VAL N N 15 124.808 0.1 . 1 . . . . . 9 VAL N . 15587 1 83 . 1 . 1 10 10 GLN H H 1 8.863 0.01 . 1 . . . . . 10 GLN H . 15587 1 84 . 1 . 1 10 10 GLN HA H 1 4.841 0.01 . 1 . . . . . 10 GLN HA . 15587 1 85 . 1 . 1 10 10 GLN HB2 H 1 1.863 0.01 . 1 . . . . . 10 GLN HB2 . 15587 1 86 . 1 . 1 10 10 GLN HB3 H 1 1.498 0.01 . 1 . . . . . 10 GLN HB3 . 15587 1 87 . 1 . 1 10 10 GLN C C 13 173.774 0.01 . 1 . . . . . 10 GLN C . 15587 1 88 . 1 . 1 10 10 GLN CA C 13 53.092 0.03 . 1 . . . . . 10 GLN CA . 15587 1 89 . 1 . 1 10 10 GLN CB C 13 32.226 0.04 . 1 . . . . . 10 GLN CB . 15587 1 90 . 1 . 1 10 10 GLN CG C 13 34.086 0.01 . 1 . . . . . 10 GLN CG . 15587 1 91 . 1 . 1 10 10 GLN N N 15 123.709 0.05 . 1 . . . . . 10 GLN N . 15587 1 92 . 1 . 1 11 11 PHE H H 1 8.252 0.01 . 1 . . . . . 11 PHE H . 15587 1 93 . 1 . 1 11 11 PHE HA H 1 5.661 0.01 . 1 . . . . . 11 PHE HA . 15587 1 94 . 1 . 1 11 11 PHE HB2 H 1 2.998 0.01 . 1 . . . . . 11 PHE HB2 . 15587 1 95 . 1 . 1 11 11 PHE HB3 H 1 2.671 0.01 . 1 . . . . . 11 PHE HB3 . 15587 1 96 . 1 . 1 11 11 PHE C C 13 175.180 0.01 . 1 . . . . . 11 PHE C . 15587 1 97 . 1 . 1 11 11 PHE CA C 13 55.799 0.1 . 1 . . . . . 11 PHE CA . 15587 1 98 . 1 . 1 11 11 PHE CB C 13 43.197 0.01 . 1 . . . . . 11 PHE CB . 15587 1 99 . 1 . 1 11 11 PHE N N 15 119.002 0.05 . 1 . . . . . 11 PHE N . 15587 1 100 . 1 . 1 12 12 ALA H H 1 8.989 0.01 . 1 . . . . . 12 ALA H . 15587 1 101 . 1 . 1 12 12 ALA HA H 1 4.971 0.01 . 1 . . . . . 12 ALA HA . 15587 1 102 . 1 . 1 12 12 ALA HB1 H 1 1.499 0.01 . 1 . . . . . 12 ALA HB . 15587 1 103 . 1 . 1 12 12 ALA HB2 H 1 1.499 0.01 . 1 . . . . . 12 ALA HB . 15587 1 104 . 1 . 1 12 12 ALA HB3 H 1 1.499 0.01 . 1 . . . . . 12 ALA HB . 15587 1 105 . 1 . 1 12 12 ALA C C 13 179.413 0.01 . 1 . . . . . 12 ALA C . 15587 1 106 . 1 . 1 12 12 ALA CA C 13 51.675 0.1 . 1 . . . . . 12 ALA CA . 15587 1 107 . 1 . 1 12 12 ALA CB C 13 23.716 0.1 . 1 . . . . . 12 ALA CB . 15587 1 108 . 1 . 1 12 12 ALA N N 15 123.388 0.1 . 1 . . . . . 12 ALA N . 15587 1 109 . 1 . 1 13 13 GLY H H 1 9.188 0.01 . 1 . . . . . 13 GLY H . 15587 1 110 . 1 . 1 13 13 GLY HA2 H 1 4.477 0.01 . 1 . . . . . 13 GLY HA2 . 15587 1 111 . 1 . 1 13 13 GLY HA3 H 1 3.937 0.01 . 1 . . . . . 13 GLY HA3 . 15587 1 112 . 1 . 1 13 13 GLY C C 13 173.60 0.01 . 1 . . . . . 13 GLY C . 15587 1 113 . 1 . 1 13 13 GLY CA C 13 46.252 0.01 . 1 . . . . . 13 GLY CA . 15587 1 114 . 1 . 1 13 13 GLY N N 15 110.134 0.03 . 1 . . . . . 13 GLY N . 15587 1 115 . 1 . 1 14 14 GLY H H 1 9.510 0.01 . 1 . . . . . 14 GLY H . 15587 1 116 . 1 . 1 14 14 GLY HA2 H 1 4.600 0.01 . 1 . . . . . 14 GLY HA2 . 15587 1 117 . 1 . 1 14 14 GLY HA3 H 1 3.453 0.01 . 1 . . . . . 14 GLY HA3 . 15587 1 118 . 1 . 1 14 14 GLY C C 13 177.136 0.01 . 1 . . . . . 14 GLY C . 15587 1 119 . 1 . 1 14 14 GLY CA C 13 44.792 0.01 . 1 . . . . . 14 GLY CA . 15587 1 120 . 1 . 1 14 14 GLY N N 15 109.966 0.1 . 1 . . . . . 14 GLY N . 15587 1 121 . 1 . 1 15 15 CYS H H 1 7.748 0.02 . 1 . . . . . 15 CYS H . 15587 1 122 . 1 . 1 15 15 CYS HA H 1 3.883 0.01 . 1 . . . . . 15 CYS HA . 15587 1 123 . 1 . 1 15 15 CYS HB2 H 1 3.654 0.01 . 1 . . . . . 15 CYS HB2 . 15587 1 124 . 1 . 1 15 15 CYS HB3 H 1 3.654 0.01 . 1 . . . . . 15 CYS HB3 . 15587 1 125 . 1 . 1 15 15 CYS C C 13 175.011 0.01 . 1 . . . . . 15 CYS C . 15587 1 126 . 1 . 1 15 15 CYS CA C 13 62.034 0.1 . 1 . . . . . 15 CYS CA . 15587 1 127 . 1 . 1 15 15 CYS N N 15 121.082 0.1 . 1 . . . . . 15 CYS N . 15587 1 128 . 1 . 1 16 16 GLU H H 1 7.837 0.1 . 1 . . . . . 16 GLU H . 15587 1 129 . 1 . 1 16 16 GLU HA H 1 4.009 0.01 . 1 . . . . . 16 GLU HA . 15587 1 130 . 1 . 1 16 16 GLU HB2 H 1 1.928 0.01 . 1 . . . . . 16 GLU HB2 . 15587 1 131 . 1 . 1 16 16 GLU HB3 H 1 1.709 0.01 . 1 . . . . . 16 GLU HB3 . 15587 1 132 . 1 . 1 16 16 GLU HG2 H 1 2.296 0.01 . 1 . . . . . 16 GLU HG2 . 15587 1 133 . 1 . 1 16 16 GLU HG3 H 1 2.296 0.01 . 1 . . . . . 16 GLU HG3 . 15587 1 134 . 1 . 1 16 16 GLU C C 13 178.419 0.01 . 1 . . . . . 16 GLU C . 15587 1 135 . 1 . 1 16 16 GLU CA C 13 58.599 0.1 . 1 . . . . . 16 GLU CA . 15587 1 136 . 1 . 1 16 16 GLU CB C 13 27.745 0.1 . 1 . . . . . 16 GLU CB . 15587 1 137 . 1 . 1 16 16 GLU CG C 13 34.752 0.01 . 1 . . . . . 16 GLU CG . 15587 1 138 . 1 . 1 16 16 GLU N N 15 120.416 0.1 . 1 . . . . . 16 GLU N . 15587 1 139 . 1 . 1 17 17 LEU H H 1 7.626 0.01 . 1 . . . . . 17 LEU H . 15587 1 140 . 1 . 1 17 17 LEU HA H 1 3.927 0.01 . 1 . . . . . 17 LEU HA . 15587 1 141 . 1 . 1 17 17 LEU HB2 H 1 1.769 0.01 . 1 . . . . . 17 LEU HB2 . 15587 1 142 . 1 . 1 17 17 LEU HB3 H 1 1.568 0.01 . 1 . . . . . 17 LEU HB3 . 15587 1 143 . 1 . 1 17 17 LEU HD11 H 1 0.840 0.01 . 1 . . . . . 17 LEU HD1 . 15587 1 144 . 1 . 1 17 17 LEU HD12 H 1 0.840 0.01 . 1 . . . . . 17 LEU HD1 . 15587 1 145 . 1 . 1 17 17 LEU HD13 H 1 0.840 0.01 . 1 . . . . . 17 LEU HD1 . 15587 1 146 . 1 . 1 17 17 LEU HD21 H 1 0.840 0.01 . 1 . . . . . 17 LEU HD2 . 15587 1 147 . 1 . 1 17 17 LEU HD22 H 1 0.840 0.01 . 1 . . . . . 17 LEU HD2 . 15587 1 148 . 1 . 1 17 17 LEU HD23 H 1 0.840 0.01 . 1 . . . . . 17 LEU HD2 . 15587 1 149 . 1 . 1 17 17 LEU HG H 1 1.568 0.01 . 1 . . . . . 17 LEU HG . 15587 1 150 . 1 . 1 17 17 LEU C C 13 178.349 0.01 . 1 . . . . . 17 LEU C . 15587 1 151 . 1 . 1 17 17 LEU CA C 13 57.105 0.01 . 1 . . . . . 17 LEU CA . 15587 1 152 . 1 . 1 17 17 LEU CB C 13 40.474 0.1 . 1 . . . . . 17 LEU CB . 15587 1 153 . 1 . 1 17 17 LEU CD1 C 13 24.951 0.01 . 1 . . . . . 17 LEU CD1 . 15587 1 154 . 1 . 1 17 17 LEU CD2 C 13 23.002 0.01 . 1 . . . . . 17 LEU CD2 . 15587 1 155 . 1 . 1 17 17 LEU CG C 13 27.539 0.01 . 1 . . . . . 17 LEU CG . 15587 1 156 . 1 . 1 17 17 LEU N N 15 122.648 0.1 . 1 . . . . . 17 LEU N . 15587 1 157 . 1 . 1 18 18 LEU H H 1 7.488 0.01 . 1 . . . . . 18 LEU H . 15587 1 158 . 1 . 1 18 18 LEU HA H 1 4.143 0.01 . 1 . . . . . 18 LEU HA . 15587 1 159 . 1 . 1 18 18 LEU HB2 H 1 1.363 0.01 . 1 . . . . . 18 LEU HB2 . 15587 1 160 . 1 . 1 18 18 LEU HB3 H 1 1.126 0.01 . 1 . . . . . 18 LEU HB3 . 15587 1 161 . 1 . 1 18 18 LEU HD11 H 1 0.664 0.01 . 1 . . . . . 18 LEU HD1 . 15587 1 162 . 1 . 1 18 18 LEU HD12 H 1 0.664 0.01 . 1 . . . . . 18 LEU HD1 . 15587 1 163 . 1 . 1 18 18 LEU HD13 H 1 0.664 0.01 . 1 . . . . . 18 LEU HD1 . 15587 1 164 . 1 . 1 18 18 LEU HD21 H 1 0.664 0.01 . 1 . . . . . 18 LEU HD2 . 15587 1 165 . 1 . 1 18 18 LEU HD22 H 1 0.664 0.01 . 1 . . . . . 18 LEU HD2 . 15587 1 166 . 1 . 1 18 18 LEU HD23 H 1 0.664 0.01 . 1 . . . . . 18 LEU HD2 . 15587 1 167 . 1 . 1 18 18 LEU HG H 1 1.617 0.01 . 1 . . . . . 18 LEU HG . 15587 1 168 . 1 . 1 18 18 LEU C C 13 175.859 0.01 . 1 . . . . . 18 LEU C . 15587 1 169 . 1 . 1 18 18 LEU CA C 13 55.729 0.01 . 1 . . . . . 18 LEU CA . 15587 1 170 . 1 . 1 18 18 LEU CB C 13 40.532 0.1 . 1 . . . . . 18 LEU CB . 15587 1 171 . 1 . 1 18 18 LEU CD1 C 13 25.327 0.01 . 1 . . . . . 18 LEU CD1 . 15587 1 172 . 1 . 1 18 18 LEU CD2 C 13 23.809 0.01 . 1 . . . . . 18 LEU CD2 . 15587 1 173 . 1 . 1 18 18 LEU CG C 13 27.592 0.01 . 1 . . . . . 18 LEU CG . 15587 1 174 . 1 . 1 18 18 LEU N N 15 117.565 0.03 . 1 . . . . . 18 LEU N . 15587 1 175 . 1 . 1 19 19 PHE H H 1 7.164 0.01 . 1 . . . . . 19 PHE H . 15587 1 176 . 1 . 1 19 19 PHE HA H 1 4.395 0.01 . 1 . . . . . 19 PHE HA . 15587 1 177 . 1 . 1 19 19 PHE HB2 H 1 3.215 0.01 . 1 . . . . . 19 PHE HB2 . 15587 1 178 . 1 . 1 19 19 PHE HB3 H 1 2.458 0.01 . 1 . . . . . 19 PHE HB3 . 15587 1 179 . 1 . 1 19 19 PHE C C 13 176.362 0.01 . 1 . . . . . 19 PHE C . 15587 1 180 . 1 . 1 19 19 PHE CA C 13 56.373 0.1 . 1 . . . . . 19 PHE CA . 15587 1 181 . 1 . 1 19 19 PHE CB C 13 39.143 0.1 . 1 . . . . . 19 PHE CB . 15587 1 182 . 1 . 1 19 19 PHE N N 15 117.899 0.1 . 1 . . . . . 19 PHE N . 15587 1 183 . 1 . 1 20 20 ALA H H 1 8.780 0.01 . 1 . . . . . 20 ALA H . 15587 1 184 . 1 . 1 20 20 ALA HA H 1 4.087 0.01 . 1 . . . . . 20 ALA HA . 15587 1 185 . 1 . 1 20 20 ALA HB1 H 1 1.401 0.01 . 1 . . . . . 20 ALA HB . 15587 1 186 . 1 . 1 20 20 ALA HB2 H 1 1.401 0.01 . 1 . . . . . 20 ALA HB . 15587 1 187 . 1 . 1 20 20 ALA HB3 H 1 1.401 0.01 . 1 . . . . . 20 ALA HB . 15587 1 188 . 1 . 1 20 20 ALA C C 13 176.512 0.01 . 1 . . . . . 20 ALA C . 15587 1 189 . 1 . 1 20 20 ALA CA C 13 53.279 0.02 . 1 . . . . . 20 ALA CA . 15587 1 190 . 1 . 1 20 20 ALA CB C 13 17.047 0.1 . 1 . . . . . 20 ALA CB . 15587 1 191 . 1 . 1 20 20 ALA N N 15 123.417 0.1 . 1 . . . . . 20 ALA N . 15587 1 192 . 1 . 1 21 21 LYS H H 1 7.825 0.01 . 1 . . . . . 21 LYS H . 15587 1 193 . 1 . 1 21 21 LYS HA H 1 3.181 0.01 . 1 . . . . . 21 LYS HA . 15587 1 194 . 1 . 1 21 21 LYS HB2 H 1 2.024 0.01 . 1 . . . . . 21 LYS HB2 . 15587 1 195 . 1 . 1 21 21 LYS HB3 H 1 2.024 0.01 . 1 . . . . . 21 LYS HB3 . 15587 1 196 . 1 . 1 21 21 LYS HD2 H 1 1.640 0.01 . 1 . . . . . 21 LYS HD2 . 15587 1 197 . 1 . 1 21 21 LYS HD3 H 1 1.640 0.01 . 1 . . . . . 21 LYS HD3 . 15587 1 198 . 1 . 1 21 21 LYS HE2 H 1 2.904 0.01 . 1 . . . . . 21 LYS HE2 . 15587 1 199 . 1 . 1 21 21 LYS HE3 H 1 2.904 0.01 . 1 . . . . . 21 LYS HE3 . 15587 1 200 . 1 . 1 21 21 LYS HG2 H 1 1.385 0.01 . 1 . . . . . 21 LYS HG2 . 15587 1 201 . 1 . 1 21 21 LYS HG3 H 1 1.385 0.01 . 1 . . . . . 21 LYS HG3 . 15587 1 202 . 1 . 1 21 21 LYS C C 13 175.295 0.01 . 1 . . . . . 21 LYS C . 15587 1 203 . 1 . 1 21 21 LYS CA C 13 58.666 0.02 . 1 . . . . . 21 LYS CA . 15587 1 204 . 1 . 1 21 21 LYS CB C 13 29.784 0.1 . 1 . . . . . 21 LYS CB . 15587 1 205 . 1 . 1 21 21 LYS CD C 13 26.637 0.01 . 1 . . . . . 21 LYS CD . 15587 1 206 . 1 . 1 21 21 LYS CE C 13 42.144 0.01 . 1 . . . . . 21 LYS CE . 15587 1 207 . 1 . 1 21 21 LYS CG C 13 24.963 0.01 . 1 . . . . . 21 LYS CG . 15587 1 208 . 1 . 1 21 21 LYS N N 15 108.448 0.01 . 1 . . . . . 21 LYS N . 15587 1 209 . 1 . 1 22 22 GLN H H 1 7.611 0.01 . 1 . . . . . 22 GLN H . 15587 1 210 . 1 . 1 22 22 GLN HA H 1 4.429 0.01 . 1 . . . . . 22 GLN HA . 15587 1 211 . 1 . 1 22 22 GLN HB2 H 1 2.247 0.01 . 1 . . . . . 22 GLN HB2 . 15587 1 212 . 1 . 1 22 22 GLN HB3 H 1 2.247 0.01 . 1 . . . . . 22 GLN HB3 . 15587 1 213 . 1 . 1 22 22 GLN HG2 H 1 2.593 0.01 . 1 . . . . . 22 GLN HG2 . 15587 1 214 . 1 . 1 22 22 GLN HG3 H 1 2.430 0.01 . 1 . . . . . 22 GLN HG3 . 15587 1 215 . 1 . 1 22 22 GLN C C 13 174.967 0.01 . 1 . . . . . 22 GLN C . 15587 1 216 . 1 . 1 22 22 GLN CA C 13 56.105 0.1 . 1 . . . . . 22 GLN CA . 15587 1 217 . 1 . 1 22 22 GLN CB C 13 29.548 0.2 . 1 . . . . . 22 GLN CB . 15587 1 218 . 1 . 1 22 22 GLN CG C 13 34.574 0.01 . 1 . . . . . 22 GLN CG . 15587 1 219 . 1 . 1 22 22 GLN N N 15 120.482 0.1 . 1 . . . . . 22 GLN N . 15587 1 220 . 1 . 1 23 23 THR H H 1 8.201 0.01 . 1 . . . . . 23 THR H . 15587 1 221 . 1 . 1 23 23 THR HA H 1 4.491 0.02 . 1 . . . . . 23 THR HA . 15587 1 222 . 1 . 1 23 23 THR HB H 1 4.276 0.02 . 1 . . . . . 23 THR HB . 15587 1 223 . 1 . 1 23 23 THR HG21 H 1 1.256 0.01 . 1 . . . . . 23 THR HG2 . 15587 1 224 . 1 . 1 23 23 THR HG22 H 1 1.256 0.01 . 1 . . . . . 23 THR HG2 . 15587 1 225 . 1 . 1 23 23 THR HG23 H 1 1.256 0.01 . 1 . . . . . 23 THR HG2 . 15587 1 226 . 1 . 1 23 23 THR C C 13 175.012 0.1 . 1 . . . . . 23 THR C . 15587 1 227 . 1 . 1 23 23 THR CA C 13 62.436 0.1 . 1 . . . . . 23 THR CA . 15587 1 228 . 1 . 1 23 23 THR CB C 13 69.501 0.1 . 1 . . . . . 23 THR CB . 15587 1 229 . 1 . 1 23 23 THR N N 15 110.354 0.05 . 1 . . . . . 23 THR N . 15587 1 230 . 1 . 1 24 24 SER H H 1 7.751 0.01 . 1 . . . . . 24 SER H . 15587 1 231 . 1 . 1 24 24 SER HA H 1 5.136 0.01 . 1 . . . . . 24 SER HA . 15587 1 232 . 1 . 1 24 24 SER HB2 H 1 3.728 0.01 . 1 . . . . . 24 SER HB2 . 15587 1 233 . 1 . 1 24 24 SER HB3 H 1 3.596 0.01 . 1 . . . . . 24 SER HB3 . 15587 1 234 . 1 . 1 24 24 SER C C 13 172.623 0.01 . 1 . . . . . 24 SER C . 15587 1 235 . 1 . 1 24 24 SER CA C 13 57.192 0.01 . 1 . . . . . 24 SER CA . 15587 1 236 . 1 . 1 24 24 SER CB C 13 65.459 0.01 . 1 . . . . . 24 SER CB . 15587 1 237 . 1 . 1 24 24 SER N N 15 114.575 0.01 . 1 . . . . . 24 SER N . 15587 1 238 . 1 . 1 25 25 LEU H H 1 9.272 0.01 . 1 . . . . . 25 LEU H . 15587 1 239 . 1 . 1 25 25 LEU HA H 1 4.531 0.01 . 1 . . . . . 25 LEU HA . 15587 1 240 . 1 . 1 25 25 LEU HB2 H 1 1.237 0.01 . 1 . . . . . 25 LEU HB2 . 15587 1 241 . 1 . 1 25 25 LEU HB3 H 1 1.237 0.01 . 1 . . . . . 25 LEU HB3 . 15587 1 242 . 1 . 1 25 25 LEU HD11 H 1 0.6909 0.01 . 1 . . . . . 25 LEU HD1 . 15587 1 243 . 1 . 1 25 25 LEU HD12 H 1 0.6909 0.01 . 1 . . . . . 25 LEU HD1 . 15587 1 244 . 1 . 1 25 25 LEU HD13 H 1 0.6909 0.01 . 1 . . . . . 25 LEU HD1 . 15587 1 245 . 1 . 1 25 25 LEU HD21 H 1 0.6909 0.01 . 1 . . . . . 25 LEU HD2 . 15587 1 246 . 1 . 1 25 25 LEU HD22 H 1 0.6909 0.01 . 1 . . . . . 25 LEU HD2 . 15587 1 247 . 1 . 1 25 25 LEU HD23 H 1 0.6909 0.01 . 1 . . . . . 25 LEU HD2 . 15587 1 248 . 1 . 1 25 25 LEU HG H 1 1.237 0.01 . 1 . . . . . 25 LEU HG . 15587 1 249 . 1 . 1 25 25 LEU C C 13 174.436 0.01 . 1 . . . . . 25 LEU C . 15587 1 250 . 1 . 1 25 25 LEU CA C 13 53.929 0.1 . 1 . . . . . 25 LEU CA . 15587 1 251 . 1 . 1 25 25 LEU CB C 13 45.561 0.1 . 1 . . . . . 25 LEU CB . 15587 1 252 . 1 . 1 25 25 LEU CD1 C 13 24.632 0.01 . 1 . . . . . 25 LEU CD1 . 15587 1 253 . 1 . 1 25 25 LEU CD2 C 13 24.632 0.01 . 1 . . . . . 25 LEU CD2 . 15587 1 254 . 1 . 1 25 25 LEU CG C 13 27.277 0.01 . 1 . . . . . 25 LEU CG . 15587 1 255 . 1 . 1 25 25 LEU N N 15 124.288 0.1 . 1 . . . . . 25 LEU N . 15587 1 256 . 1 . 1 26 26 GLN H H 1 8.573 0.01 . 1 . . . . . 26 GLN H . 15587 1 257 . 1 . 1 26 26 GLN HA H 1 4.607 0.01 . 1 . . . . . 26 GLN HA . 15587 1 258 . 1 . 1 26 26 GLN HB2 H 1 2.381 0.01 . 1 . . . . . 26 GLN HB2 . 15587 1 259 . 1 . 1 26 26 GLN HB3 H 1 2.020 0.01 . 1 . . . . . 26 GLN HB3 . 15587 1 260 . 1 . 1 26 26 GLN HG2 H 1 2.669 0.01 . 1 . . . . . 26 GLN HG2 . 15587 1 261 . 1 . 1 26 26 GLN HG3 H 1 2.669 0.01 . 1 . . . . . 26 GLN HG3 . 15587 1 262 . 1 . 1 26 26 GLN C C 13 173.250 0.01 . 1 . . . . . 26 GLN C . 15587 1 263 . 1 . 1 26 26 GLN CA C 13 54.207 0.1 . 1 . . . . . 26 GLN CA . 15587 1 264 . 1 . 1 26 26 GLN CB C 13 27.813 0.01 . 1 . . . . . 26 GLN CB . 15587 1 265 . 1 . 1 26 26 GLN CG C 13 32.854 0.01 . 1 . . . . . 26 GLN CG . 15587 1 266 . 1 . 1 26 26 GLN N N 15 122.971 0.1 . 1 . . . . . 26 GLN N . 15587 1 267 . 1 . 1 27 27 LEU H H 1 8.753 0.01 . 1 . . . . . 27 LEU H . 15587 1 268 . 1 . 1 27 27 LEU HA H 1 4.414 0.01 . 1 . . . . . 27 LEU HA . 15587 1 269 . 1 . 1 27 27 LEU HB2 H 1 1.815 0.01 . 1 . . . . . 27 LEU HB2 . 15587 1 270 . 1 . 1 27 27 LEU HB3 H 1 0.886 0.01 . 1 . . . . . 27 LEU HB3 . 15587 1 271 . 1 . 1 27 27 LEU HG H 1 1.227 0.01 . 1 . . . . . 27 LEU HG . 15587 1 272 . 1 . 1 27 27 LEU C C 13 175.313 0.01 . 1 . . . . . 27 LEU C . 15587 1 273 . 1 . 1 27 27 LEU CA C 13 53.132 0.05 . 1 . . . . . 27 LEU CA . 15587 1 274 . 1 . 1 27 27 LEU CB C 13 40.489 0.01 . 1 . . . . . 27 LEU CB . 15587 1 275 . 1 . 1 27 27 LEU CD1 C 13 23.285 0.01 . 1 . . . . . 27 LEU CD1 . 15587 1 276 . 1 . 1 27 27 LEU CD2 C 13 23.285 0.01 . 1 . . . . . 27 LEU CD2 . 15587 1 277 . 1 . 1 27 27 LEU CG C 13 26.386 0.01 . 1 . . . . . 27 LEU CG . 15587 1 278 . 1 . 1 27 27 LEU N N 15 126.504 0.1 . 1 . . . . . 27 LEU N . 15587 1 279 . 1 . 1 28 28 ASP H H 1 8.568 0.01 . 1 . . . . . 28 ASP H . 15587 1 280 . 1 . 1 28 28 ASP HA H 1 4.414 0.01 . 1 . . . . . 28 ASP HA . 15587 1 281 . 1 . 1 28 28 ASP HB2 H 1 2.662 0.01 . 1 . . . . . 28 ASP HB2 . 15587 1 282 . 1 . 1 28 28 ASP HB3 H 1 2.662 0.01 . 1 . . . . . 28 ASP HB3 . 15587 1 283 . 1 . 1 28 28 ASP C C 13 176.147 0.01 . 1 . . . . . 28 ASP C . 15587 1 284 . 1 . 1 28 28 ASP CA C 13 53.407 0.01 . 1 . . . . . 28 ASP CA . 15587 1 285 . 1 . 1 28 28 ASP CB C 13 40.535 0.01 . 1 . . . . . 28 ASP CB . 15587 1 286 . 1 . 1 28 28 ASP N N 15 112.805 0.1 . 1 . . . . . 28 ASP N . 15587 1 287 . 1 . 1 29 29 GLY H H 1 7.770 0.01 . 1 . . . . . 29 GLY H . 15587 1 288 . 1 . 1 29 29 GLY HA2 H 1 3.942 0.01 . 1 . . . . . 29 GLY HA2 . 15587 1 289 . 1 . 1 29 29 GLY HA3 H 1 3.806 0.01 . 1 . . . . . 29 GLY HA3 . 15587 1 290 . 1 . 1 29 29 GLY C C 13 174.455 0.01 . 1 . . . . . 29 GLY C . 15587 1 291 . 1 . 1 29 29 GLY CA C 13 47.297 0.01 . 1 . . . . . 29 GLY CA . 15587 1 292 . 1 . 1 29 29 GLY N N 15 129.863 0.1 . 1 . . . . . 29 GLY N . 15587 1 293 . 1 . 1 30 30 VAL H H 1 7.792 0.01 . 1 . . . . . 30 VAL H . 15587 1 294 . 1 . 1 30 30 VAL HA H 1 4.391 0.01 . 1 . . . . . 30 VAL HA . 15587 1 295 . 1 . 1 30 30 VAL HB H 1 1.896 0.01 . 1 . . . . . 30 VAL HB . 15587 1 296 . 1 . 1 30 30 VAL HG11 H 1 0.933 0.01 . 1 . . . . . 30 VAL HG1 . 15587 1 297 . 1 . 1 30 30 VAL HG12 H 1 0.933 0.01 . 1 . . . . . 30 VAL HG1 . 15587 1 298 . 1 . 1 30 30 VAL HG13 H 1 0.933 0.01 . 1 . . . . . 30 VAL HG1 . 15587 1 299 . 1 . 1 30 30 VAL HG21 H 1 0.842 0.01 . 1 . . . . . 30 VAL HG2 . 15587 1 300 . 1 . 1 30 30 VAL HG22 H 1 0.842 0.01 . 1 . . . . . 30 VAL HG2 . 15587 1 301 . 1 . 1 30 30 VAL HG23 H 1 0.842 0.01 . 1 . . . . . 30 VAL HG2 . 15587 1 302 . 1 . 1 30 30 VAL C C 13 174.315 0.01 . 1 . . . . . 30 VAL C . 15587 1 303 . 1 . 1 30 30 VAL CA C 13 62.180 0.01 . 1 . . . . . 30 VAL CA . 15587 1 304 . 1 . 1 30 30 VAL CB C 13 35.931 0.1 . 1 . . . . . 30 VAL CB . 15587 1 305 . 1 . 1 30 30 VAL CG1 C 13 24.948 0.01 . 1 . . . . . 30 VAL CG1 . 15587 1 306 . 1 . 1 30 30 VAL CG2 C 13 21.591 0.01 . 1 . . . . . 30 VAL CG2 . 15587 1 307 . 1 . 1 30 30 VAL N N 15 112.711 0.01 . 1 . . . . . 30 VAL N . 15587 1 308 . 1 . 1 31 31 VAL H H 1 8.748 0.01 . 1 . . . . . 31 VAL H . 15587 1 309 . 1 . 1 31 31 VAL C C 13 172.882 0.01 . 1 . . . . . 31 VAL C . 15587 1 310 . 1 . 1 31 31 VAL CA C 13 62.284 0.01 . 1 . . . . . 31 VAL CA . 15587 1 311 . 1 . 1 31 31 VAL CB C 13 33.804 0.1 . 1 . . . . . 31 VAL CB . 15587 1 312 . 1 . 1 31 31 VAL N N 15 123.316 0.01 . 1 . . . . . 31 VAL N . 15587 1 313 . 1 . 1 32 32 PRO HA H 1 5.038 0.02 . 1 . . . . . 32 PRO HA . 15587 1 314 . 1 . 1 32 32 PRO HB2 H 1 2.313 0.01 . 1 . . . . . 32 PRO HB2 . 15587 1 315 . 1 . 1 32 32 PRO HB3 H 1 1.542 0.01 . 1 . . . . . 32 PRO HB3 . 15587 1 316 . 1 . 1 32 32 PRO HD2 H 1 3.823 0.01 . 1 . . . . . 32 PRO HD2 . 15587 1 317 . 1 . 1 32 32 PRO HD3 H 1 3.823 0.01 . 1 . . . . . 32 PRO HD3 . 15587 1 318 . 1 . 1 32 32 PRO HG2 H 1 1.882 0.01 . 1 . . . . . 32 PRO HG2 . 15587 1 319 . 1 . 1 32 32 PRO HG3 H 1 1.882 0.01 . 1 . . . . . 32 PRO HG3 . 15587 1 320 . 1 . 1 32 32 PRO C C 13 179.633 0.01 . 1 . . . . . 32 PRO C . 15587 1 321 . 1 . 1 32 32 PRO CA C 13 63.073 0.01 . 1 . . . . . 32 PRO CA . 15587 1 322 . 1 . 1 32 32 PRO CB C 13 32.421 0.1 . 1 . . . . . 32 PRO CB . 15587 1 323 . 1 . 1 32 32 PRO CD C 13 51.258 0.01 . 1 . . . . . 32 PRO CD . 15587 1 324 . 1 . 1 32 32 PRO CG C 13 27.145 0.1 . 1 . . . . . 32 PRO CG . 15587 1 325 . 1 . 1 33 33 THR H H 1 8.739 0.1 . 1 . . . . . 33 THR H . 15587 1 326 . 1 . 1 33 33 THR HA H 1 3.896 0.01 . 1 . . . . . 33 THR HA . 15587 1 327 . 1 . 1 33 33 THR HB H 1 3.236 0.01 . 1 . . . . . 33 THR HB . 15587 1 328 . 1 . 1 33 33 THR HG21 H 1 0.698 0.01 . 1 . . . . . 33 THR HG2 . 15587 1 329 . 1 . 1 33 33 THR HG22 H 1 0.698 0.01 . 1 . . . . . 33 THR HG2 . 15587 1 330 . 1 . 1 33 33 THR HG23 H 1 0.698 0.01 . 1 . . . . . 33 THR HG2 . 15587 1 331 . 1 . 1 33 33 THR C C 13 174.735 0.01 . 1 . . . . . 33 THR C . 15587 1 332 . 1 . 1 33 33 THR CA C 13 64.329 0.1 . 1 . . . . . 33 THR CA . 15587 1 333 . 1 . 1 33 33 THR CB C 13 67.929 0.01 . 1 . . . . . 33 THR CB . 15587 1 334 . 1 . 1 33 33 THR CG2 C 13 22.191 0.01 . 1 . . . . . 33 THR CG2 . 15587 1 335 . 1 . 1 33 33 THR N N 15 120.858 0.1 . 1 . . . . . 33 THR N . 15587 1 336 . 1 . 1 34 34 GLY H H 1 8.303 0.01 . 1 . . . . . 34 GLY H . 15587 1 337 . 1 . 1 34 34 GLY HA2 H 1 4.359 0.01 . 1 . . . . . 34 GLY HA2 . 15587 1 338 . 1 . 1 34 34 GLY HA3 H 1 3.451 0.01 . 1 . . . . . 34 GLY HA3 . 15587 1 339 . 1 . 1 34 34 GLY C C 13 174.037 0.01 . 1 . . . . . 34 GLY C . 15587 1 340 . 1 . 1 34 34 GLY CA C 13 45.067 0.1 . 1 . . . . . 34 GLY CA . 15587 1 341 . 1 . 1 34 34 GLY N N 15 114.645 0.1 . 1 . . . . . 34 GLY N . 15587 1 342 . 1 . 1 35 35 THR H H 1 7.405 0.01 . 1 . . . . . 35 THR H . 15587 1 343 . 1 . 1 35 35 THR HA H 1 4.073 0.01 . 1 . . . . . 35 THR HA . 15587 1 344 . 1 . 1 35 35 THR HB H 1 3.740 0.01 . 1 . . . . . 35 THR HB . 15587 1 345 . 1 . 1 35 35 THR HG21 H 1 1.385 0.01 . 1 . . . . . 35 THR HG2 . 15587 1 346 . 1 . 1 35 35 THR HG22 H 1 1.385 0.01 . 1 . . . . . 35 THR HG2 . 15587 1 347 . 1 . 1 35 35 THR HG23 H 1 1.385 0.01 . 1 . . . . . 35 THR HG2 . 15587 1 348 . 1 . 1 35 35 THR C C 13 174.540 0.01 . 1 . . . . . 35 THR C . 15587 1 349 . 1 . 1 35 35 THR CA C 13 65.137 0.03 . 1 . . . . . 35 THR CA . 15587 1 350 . 1 . 1 35 35 THR CB C 13 69.484 0.1 . 1 . . . . . 35 THR CB . 15587 1 351 . 1 . 1 35 35 THR CG2 C 13 21.763 0.01 . 1 . . . . . 35 THR CG2 . 15587 1 352 . 1 . 1 35 35 THR N N 15 117.340 0.01 . 1 . . . . . 35 THR N . 15587 1 353 . 1 . 1 36 36 ASN H H 1 8.836 0.01 . 1 . . . . . 36 ASN H . 15587 1 354 . 1 . 1 36 36 ASN HA H 1 5.686 0.01 . 1 . . . . . 36 ASN HA . 15587 1 355 . 1 . 1 36 36 ASN HB2 H 1 3.160 0.01 . 1 . . . . . 36 ASN HB2 . 15587 1 356 . 1 . 1 36 36 ASN HB3 H 1 2.581 0.01 . 1 . . . . . 36 ASN HB3 . 15587 1 357 . 1 . 1 36 36 ASN C C 13 176.512 0.01 . 1 . . . . . 36 ASN C . 15587 1 358 . 1 . 1 36 36 ASN CA C 13 50.439 0.01 . 1 . . . . . 36 ASN CA . 15587 1 359 . 1 . 1 36 36 ASN CB C 13 40.274 0.01 . 1 . . . . . 36 ASN CB . 15587 1 360 . 1 . 1 36 36 ASN N N 15 127.379 0.1 . 1 . . . . . 36 ASN N . 15587 1 361 . 1 . 1 37 37 LEU H H 1 8.045 0.01 . 1 . . . . . 37 LEU H . 15587 1 362 . 1 . 1 37 37 LEU HA H 1 4.142 0.01 . 1 . . . . . 37 LEU HA . 15587 1 363 . 1 . 1 37 37 LEU HB2 H 1 2.275 0.01 . 1 . . . . . 37 LEU HB2 . 15587 1 364 . 1 . 1 37 37 LEU HB3 H 1 1.971 0.01 . 1 . . . . . 37 LEU HB3 . 15587 1 365 . 1 . 1 37 37 LEU HD11 H 1 0.868 0.01 . 1 . . . . . 37 LEU HD1 . 15587 1 366 . 1 . 1 37 37 LEU HD12 H 1 0.868 0.01 . 1 . . . . . 37 LEU HD1 . 15587 1 367 . 1 . 1 37 37 LEU HD13 H 1 0.868 0.01 . 1 . . . . . 37 LEU HD1 . 15587 1 368 . 1 . 1 37 37 LEU HD21 H 1 0.868 0.01 . 1 . . . . . 37 LEU HD2 . 15587 1 369 . 1 . 1 37 37 LEU HD22 H 1 0.868 0.01 . 1 . . . . . 37 LEU HD2 . 15587 1 370 . 1 . 1 37 37 LEU HD23 H 1 0.868 0.01 . 1 . . . . . 37 LEU HD2 . 15587 1 371 . 1 . 1 37 37 LEU HG H 1 1.578 0.01 . 1 . . . . . 37 LEU HG . 15587 1 372 . 1 . 1 37 37 LEU C C 13 178.931 0.01 . 1 . . . . . 37 LEU C . 15587 1 373 . 1 . 1 37 37 LEU CA C 13 59.274 0.01 . 1 . . . . . 37 LEU CA . 15587 1 374 . 1 . 1 37 37 LEU CB C 13 42.159 0.01 . 1 . . . . . 37 LEU CB . 15587 1 375 . 1 . 1 37 37 LEU CD1 C 13 25.478 0.01 . 1 . . . . . 37 LEU CD1 . 15587 1 376 . 1 . 1 37 37 LEU CD2 C 13 25.478 0.01 . 1 . . . . . 37 LEU CD2 . 15587 1 377 . 1 . 1 37 37 LEU CG C 13 27.873 0.01 . 1 . . . . . 37 LEU CG . 15587 1 378 . 1 . 1 37 37 LEU N N 15 119.164 0.1 . 1 . . . . . 37 LEU N . 15587 1 379 . 1 . 1 38 38 ASN H H 1 7.959 0.1 . 1 . . . . . 38 ASN H . 15587 1 380 . 1 . 1 38 38 ASN HA H 1 4.502 0.01 . 1 . . . . . 38 ASN HA . 15587 1 381 . 1 . 1 38 38 ASN HB2 H 1 2.828 0.01 . 1 . . . . . 38 ASN HB2 . 15587 1 382 . 1 . 1 38 38 ASN HB3 H 1 2.828 0.01 . 1 . . . . . 38 ASN HB3 . 15587 1 383 . 1 . 1 38 38 ASN C C 13 178.691 0.01 . 1 . . . . . 38 ASN C . 15587 1 384 . 1 . 1 38 38 ASN CA C 13 57.080 0.1 . 1 . . . . . 38 ASN CA . 15587 1 385 . 1 . 1 38 38 ASN CB C 13 38.367 0.1 . 1 . . . . . 38 ASN CB . 15587 1 386 . 1 . 1 38 38 ASN N N 15 118.522 0.01 . 1 . . . . . 38 ASN N . 15587 1 387 . 1 . 1 39 39 GLY H H 1 8.828 0.01 . 1 . . . . . 39 GLY H . 15587 1 388 . 1 . 1 39 39 GLY HA2 H 1 4.088 0.01 . 1 . . . . . 39 GLY HA2 . 15587 1 389 . 1 . 1 39 39 GLY HA3 H 1 3.911 0.01 . 1 . . . . . 39 GLY HA3 . 15587 1 390 . 1 . 1 39 39 GLY C C 13 177.320 0.01 . 1 . . . . . 39 GLY C . 15587 1 391 . 1 . 1 39 39 GLY CA C 13 46.879 0.1 . 1 . . . . . 39 GLY CA . 15587 1 392 . 1 . 1 39 39 GLY N N 15 109.615 0.01 . 1 . . . . . 39 GLY N . 15587 1 393 . 1 . 1 40 40 LEU H H 1 8.829 0.01 . 1 . . . . . 40 LEU H . 15587 1 394 . 1 . 1 40 40 LEU HA H 1 4.504 0.01 . 1 . . . . . 40 LEU HA . 15587 1 395 . 1 . 1 40 40 LEU HB2 H 1 1.416 0.01 . 1 . . . . . 40 LEU HB2 . 15587 1 396 . 1 . 1 40 40 LEU HB3 H 1 1.416 0.01 . 1 . . . . . 40 LEU HB3 . 15587 1 397 . 1 . 1 40 40 LEU HD11 H 1 1.024 0.01 . 1 . . . . . 40 LEU HD1 . 15587 1 398 . 1 . 1 40 40 LEU HD12 H 1 1.024 0.01 . 1 . . . . . 40 LEU HD1 . 15587 1 399 . 1 . 1 40 40 LEU HD13 H 1 1.024 0.01 . 1 . . . . . 40 LEU HD1 . 15587 1 400 . 1 . 1 40 40 LEU HD21 H 1 1.024 0.01 . 1 . . . . . 40 LEU HD2 . 15587 1 401 . 1 . 1 40 40 LEU HD22 H 1 1.024 0.01 . 1 . . . . . 40 LEU HD2 . 15587 1 402 . 1 . 1 40 40 LEU HD23 H 1 1.024 0.01 . 1 . . . . . 40 LEU HD2 . 15587 1 403 . 1 . 1 40 40 LEU HG H 1 1.684 0.01 . 1 . . . . . 40 LEU HG . 15587 1 404 . 1 . 1 40 40 LEU C C 13 177.788 0.01 . 1 . . . . . 40 LEU C . 15587 1 405 . 1 . 1 40 40 LEU CA C 13 57.770 0.1 . 1 . . . . . 40 LEU CA . 15587 1 406 . 1 . 1 40 40 LEU CB C 13 41.713 0.1 . 1 . . . . . 40 LEU CB . 15587 1 407 . 1 . 1 40 40 LEU CD1 C 13 23.084 0.01 . 1 . . . . . 40 LEU CD1 . 15587 1 408 . 1 . 1 40 40 LEU CD2 C 13 23.084 0.01 . 1 . . . . . 40 LEU CD2 . 15587 1 409 . 1 . 1 40 40 LEU CG C 13 26.916 0.01 . 1 . . . . . 40 LEU CG . 15587 1 410 . 1 . 1 40 40 LEU N N 15 125.884 0.01 . 1 . . . . . 40 LEU N . 15587 1 411 . 1 . 1 41 41 VAL H H 1 8.333 0.01 . 1 . . . . . 41 VAL H . 15587 1 412 . 1 . 1 41 41 VAL HA H 1 3.328 0.01 . 1 . . . . . 41 VAL HA . 15587 1 413 . 1 . 1 41 41 VAL HB H 1 2.473 0.01 . 1 . . . . . 41 VAL HB . 15587 1 414 . 1 . 1 41 41 VAL HG11 H 1 1.228 0.01 . 1 . . . . . 41 VAL HG1 . 15587 1 415 . 1 . 1 41 41 VAL HG12 H 1 1.228 0.01 . 1 . . . . . 41 VAL HG1 . 15587 1 416 . 1 . 1 41 41 VAL HG13 H 1 1.228 0.01 . 1 . . . . . 41 VAL HG1 . 15587 1 417 . 1 . 1 41 41 VAL HG21 H 1 0.690 0.01 . 1 . . . . . 41 VAL HG2 . 15587 1 418 . 1 . 1 41 41 VAL HG22 H 1 0.690 0.01 . 1 . . . . . 41 VAL HG2 . 15587 1 419 . 1 . 1 41 41 VAL HG23 H 1 0.690 0.01 . 1 . . . . . 41 VAL HG2 . 15587 1 420 . 1 . 1 41 41 VAL C C 13 177.556 0.01 . 1 . . . . . 41 VAL C . 15587 1 421 . 1 . 1 41 41 VAL CA C 13 67.977 0.1 . 1 . . . . . 41 VAL CA . 15587 1 422 . 1 . 1 41 41 VAL CB C 13 31.080 0.1 . 1 . . . . . 41 VAL CB . 15587 1 423 . 1 . 1 41 41 VAL CG1 C 13 24.764 0.01 . 1 . . . . . 41 VAL CG1 . 15587 1 424 . 1 . 1 41 41 VAL CG2 C 13 21.812 0.01 . 1 . . . . . 41 VAL CG2 . 15587 1 425 . 1 . 1 41 41 VAL N N 15 120.213 0.1 . 1 . . . . . 41 VAL N . 15587 1 426 . 1 . 1 42 42 GLN H H 1 7.672 0.01 . 1 . . . . . 42 GLN H . 15587 1 427 . 1 . 1 42 42 GLN HA H 1 3.866 0.01 . 1 . . . . . 42 GLN HA . 15587 1 428 . 1 . 1 42 42 GLN HB2 H 1 2.174 0.01 . 1 . . . . . 42 GLN HB2 . 15587 1 429 . 1 . 1 42 42 GLN HB3 H 1 2.174 0.01 . 1 . . . . . 42 GLN HB3 . 15587 1 430 . 1 . 1 42 42 GLN HG2 H 1 2.475 0.01 . 1 . . . . . 42 GLN HG2 . 15587 1 431 . 1 . 1 42 42 GLN HG3 H 1 2.475 0.01 . 1 . . . . . 42 GLN HG3 . 15587 1 432 . 1 . 1 42 42 GLN C C 13 177.980 0.01 . 1 . . . . . 42 GLN C . 15587 1 433 . 1 . 1 42 42 GLN CA C 13 58.694 0.1 . 1 . . . . . 42 GLN CA . 15587 1 434 . 1 . 1 42 42 GLN CB C 13 27.809 0.1 . 1 . . . . . 42 GLN CB . 15587 1 435 . 1 . 1 42 42 GLN CG C 13 33.448 0.01 . 1 . . . . . 42 GLN CG . 15587 1 436 . 1 . 1 42 42 GLN N N 15 116.386 0.1 . 1 . . . . . 42 GLN N . 15587 1 437 . 1 . 1 43 43 LEU H H 1 8.080 0.01 . 1 . . . . . 43 LEU H . 15587 1 438 . 1 . 1 43 43 LEU HA H 1 4.225 0.01 . 1 . . . . . 43 LEU HA . 15587 1 439 . 1 . 1 43 43 LEU HB2 H 1 1.998 0.01 . 1 . . . . . 43 LEU HB2 . 15587 1 440 . 1 . 1 43 43 LEU HB3 H 1 1.839 0.01 . 1 . . . . . 43 LEU HB3 . 15587 1 441 . 1 . 1 43 43 LEU HD11 H 1 1.003 0.01 . 1 . . . . . 43 LEU HD1 . 15587 1 442 . 1 . 1 43 43 LEU HD12 H 1 1.003 0.01 . 1 . . . . . 43 LEU HD1 . 15587 1 443 . 1 . 1 43 43 LEU HD13 H 1 1.003 0.01 . 1 . . . . . 43 LEU HD1 . 15587 1 444 . 1 . 1 43 43 LEU HD21 H 1 1.003 0.01 . 1 . . . . . 43 LEU HD2 . 15587 1 445 . 1 . 1 43 43 LEU HD22 H 1 1.003 0.01 . 1 . . . . . 43 LEU HD2 . 15587 1 446 . 1 . 1 43 43 LEU HD23 H 1 1.003 0.01 . 1 . . . . . 43 LEU HD2 . 15587 1 447 . 1 . 1 43 43 LEU HG H 1 1.839 0.01 . 1 . . . . . 43 LEU HG . 15587 1 448 . 1 . 1 43 43 LEU C C 13 179.999 0.01 . 1 . . . . . 43 LEU C . 15587 1 449 . 1 . 1 43 43 LEU CA C 13 58.275 0.1 . 1 . . . . . 43 LEU CA . 15587 1 450 . 1 . 1 43 43 LEU CB C 13 43.046 0.1 . 1 . . . . . 43 LEU CB . 15587 1 451 . 1 . 1 43 43 LEU CD1 C 13 25.660 0.01 . 1 . . . . . 43 LEU CD1 . 15587 1 452 . 1 . 1 43 43 LEU CD2 C 13 25.660 0.01 . 1 . . . . . 43 LEU CD2 . 15587 1 453 . 1 . 1 43 43 LEU CG C 13 27.480 0.01 . 1 . . . . . 43 LEU CG . 15587 1 454 . 1 . 1 43 43 LEU N N 15 122.204 0.1 . 1 . . . . . 43 LEU N . 15587 1 455 . 1 . 1 44 44 LEU H H 1 8.810 0.01 . 1 . . . . . 44 LEU H . 15587 1 456 . 1 . 1 44 44 LEU HA H 1 4.384 0.01 . 1 . . . . . 44 LEU HA . 15587 1 457 . 1 . 1 44 44 LEU HB2 H 1 2.181 0.01 . 1 . . . . . 44 LEU HB2 . 15587 1 458 . 1 . 1 44 44 LEU HB3 H 1 1.267 0.01 . 1 . . . . . 44 LEU HB3 . 15587 1 459 . 1 . 1 44 44 LEU HD11 H 1 0.668 0.01 . 1 . . . . . 44 LEU HD1 . 15587 1 460 . 1 . 1 44 44 LEU HD12 H 1 0.668 0.01 . 1 . . . . . 44 LEU HD1 . 15587 1 461 . 1 . 1 44 44 LEU HD13 H 1 0.668 0.01 . 1 . . . . . 44 LEU HD1 . 15587 1 462 . 1 . 1 44 44 LEU HD21 H 1 0.668 0.01 . 1 . . . . . 44 LEU HD2 . 15587 1 463 . 1 . 1 44 44 LEU HD22 H 1 0.668 0.01 . 1 . . . . . 44 LEU HD2 . 15587 1 464 . 1 . 1 44 44 LEU HD23 H 1 0.668 0.01 . 1 . . . . . 44 LEU HD2 . 15587 1 465 . 1 . 1 44 44 LEU HG H 1 2.000 0.01 . 1 . . . . . 44 LEU HG . 15587 1 466 . 1 . 1 44 44 LEU C C 13 179.311 0.01 . 1 . . . . . 44 LEU C . 15587 1 467 . 1 . 1 44 44 LEU CA C 13 58.397 0.1 . 1 . . . . . 44 LEU CA . 15587 1 468 . 1 . 1 44 44 LEU CB C 13 41.553 0.1 . 1 . . . . . 44 LEU CB . 15587 1 469 . 1 . 1 44 44 LEU CD1 C 13 23.039 0.01 . 1 . . . . . 44 LEU CD1 . 15587 1 470 . 1 . 1 44 44 LEU CD2 C 13 23.039 0.01 . 1 . . . . . 44 LEU CD2 . 15587 1 471 . 1 . 1 44 44 LEU CG C 13 26.996 0.01 . 1 . . . . . 44 LEU CG . 15587 1 472 . 1 . 1 44 44 LEU N N 15 119.371 0.1 . 1 . . . . . 44 LEU N . 15587 1 473 . 1 . 1 45 45 LYS H H 1 8.652 0.01 . 1 . . . . . 45 LYS H . 15587 1 474 . 1 . 1 45 45 LYS HA H 1 3.678 0.01 . 1 . . . . . 45 LYS HA . 15587 1 475 . 1 . 1 45 45 LYS HB2 H 1 2.047 0.01 . 1 . . . . . 45 LYS HB2 . 15587 1 476 . 1 . 1 45 45 LYS HB3 H 1 1.762 0.01 . 1 . . . . . 45 LYS HB3 . 15587 1 477 . 1 . 1 45 45 LYS HD2 H 1 1.462 0.01 . 1 . . . . . 45 LYS HD2 . 15587 1 478 . 1 . 1 45 45 LYS HD3 H 1 1.462 0.01 . 1 . . . . . 45 LYS HD3 . 15587 1 479 . 1 . 1 45 45 LYS HE2 H 1 2.877 0.01 . 1 . . . . . 45 LYS HE2 . 15587 1 480 . 1 . 1 45 45 LYS HE3 H 1 2.877 0.01 . 1 . . . . . 45 LYS HE3 . 15587 1 481 . 1 . 1 45 45 LYS HG2 H 1 1.250 0.01 . 1 . . . . . 45 LYS HG2 . 15587 1 482 . 1 . 1 45 45 LYS HG3 H 1 1.250 0.01 . 1 . . . . . 45 LYS HG3 . 15587 1 483 . 1 . 1 45 45 LYS C C 13 177.005 0.01 . 1 . . . . . 45 LYS C . 15587 1 484 . 1 . 1 45 45 LYS CA C 13 60.016 0.01 . 1 . . . . . 45 LYS CA . 15587 1 485 . 1 . 1 45 45 LYS CB C 13 32.411 0.01 . 1 . . . . . 45 LYS CB . 15587 1 486 . 1 . 1 45 45 LYS CD C 13 30.358 0.01 . 1 . . . . . 45 LYS CD . 15587 1 487 . 1 . 1 45 45 LYS CE C 13 42.040 0.01 . 1 . . . . . 45 LYS CE . 15587 1 488 . 1 . 1 45 45 LYS CG C 13 24.782 0.01 . 1 . . . . . 45 LYS CG . 15587 1 489 . 1 . 1 45 45 LYS N N 15 120.434 0.1 . 1 . . . . . 45 LYS N . 15587 1 490 . 1 . 1 46 46 THR H H 1 8.180 0.01 . 1 . . . . . 46 THR H . 15587 1 491 . 1 . 1 46 46 THR HA H 1 4.027 0.01 . 1 . . . . . 46 THR HA . 15587 1 492 . 1 . 1 46 46 THR HB H 1 3.573 0.01 . 1 . . . . . 46 THR HB . 15587 1 493 . 1 . 1 46 46 THR HG21 H 1 1.249 0.01 . 1 . . . . . 46 THR HG2 . 15587 1 494 . 1 . 1 46 46 THR HG22 H 1 1.249 0.01 . 1 . . . . . 46 THR HG2 . 15587 1 495 . 1 . 1 46 46 THR HG23 H 1 1.249 0.01 . 1 . . . . . 46 THR HG2 . 15587 1 496 . 1 . 1 46 46 THR C C 13 176.217 0.01 . 1 . . . . . 46 THR C . 15587 1 497 . 1 . 1 46 46 THR CA C 13 65.173 0.01 . 1 . . . . . 46 THR CA . 15587 1 498 . 1 . 1 46 46 THR CB C 13 69.680 0.01 . 1 . . . . . 46 THR CB . 15587 1 499 . 1 . 1 46 46 THR CG2 C 13 22.220 0.01 . 1 . . . . . 46 THR CG2 . 15587 1 500 . 1 . 1 46 46 THR N N 15 109.149 0.01 . 1 . . . . . 46 THR N . 15587 1 501 . 1 . 1 47 47 ASN H H 1 8.170 0.01 . 1 . . . . . 47 ASN H . 15587 1 502 . 1 . 1 47 47 ASN HA H 1 4.785 0.01 . 1 . . . . . 47 ASN HA . 15587 1 503 . 1 . 1 47 47 ASN HB2 H 1 2.644 0.01 . 1 . . . . . 47 ASN HB2 . 15587 1 504 . 1 . 1 47 47 ASN HB3 H 1 2.074 0.01 . 1 . . . . . 47 ASN HB3 . 15587 1 505 . 1 . 1 47 47 ASN C C 13 175.267 0.01 . 1 . . . . . 47 ASN C . 15587 1 506 . 1 . 1 47 47 ASN CA C 13 54.213 0.01 . 1 . . . . . 47 ASN CA . 15587 1 507 . 1 . 1 47 47 ASN CB C 13 40.712 0.01 . 1 . . . . . 47 ASN CB . 15587 1 508 . 1 . 1 47 47 ASN N N 15 116.045 0.01 . 1 . . . . . 47 ASN N . 15587 1 509 . 1 . 1 48 48 TYR H H 1 8.094 0.01 . 1 . . . . . 48 TYR H . 15587 1 510 . 1 . 1 48 48 TYR HA H 1 4.695 0.01 . 1 . . . . . 48 TYR HA . 15587 1 511 . 1 . 1 48 48 TYR HB2 H 1 3.300 0.01 . 1 . . . . . 48 TYR HB2 . 15587 1 512 . 1 . 1 48 48 TYR HB3 H 1 2.944 0.01 . 1 . . . . . 48 TYR HB3 . 15587 1 513 . 1 . 1 48 48 TYR C C 13 175.011 0.01 . 1 . . . . . 48 TYR C . 15587 1 514 . 1 . 1 48 48 TYR CA C 13 60.273 0.1 . 1 . . . . . 48 TYR CA . 15587 1 515 . 1 . 1 48 48 TYR CB C 13 41.189 0.1 . 1 . . . . . 48 TYR CB . 15587 1 516 . 1 . 1 48 48 TYR N N 15 115.849 0.1 . 1 . . . . . 48 TYR N . 15587 1 517 . 1 . 1 49 49 VAL H H 1 7.769 0.01 . 1 . . . . . 49 VAL H . 15587 1 518 . 1 . 1 49 49 VAL HA H 1 3.715 0.1 . 1 . . . . . 49 VAL HA . 15587 1 519 . 1 . 1 49 49 VAL HB H 1 1.849 0.01 . 1 . . . . . 49 VAL HB . 15587 1 520 . 1 . 1 49 49 VAL HG11 H 1 0.845 0.01 . 1 . . . . . 49 VAL HG1 . 15587 1 521 . 1 . 1 49 49 VAL HG12 H 1 0.845 0.01 . 1 . . . . . 49 VAL HG1 . 15587 1 522 . 1 . 1 49 49 VAL HG13 H 1 0.845 0.01 . 1 . . . . . 49 VAL HG1 . 15587 1 523 . 1 . 1 49 49 VAL HG21 H 1 0.557 0.01 . 1 . . . . . 49 VAL HG2 . 15587 1 524 . 1 . 1 49 49 VAL HG22 H 1 0.557 0.01 . 1 . . . . . 49 VAL HG2 . 15587 1 525 . 1 . 1 49 49 VAL HG23 H 1 0.557 0.01 . 1 . . . . . 49 VAL HG2 . 15587 1 526 . 1 . 1 49 49 VAL C C 13 176.157 0.01 . 1 . . . . . 49 VAL C . 15587 1 527 . 1 . 1 49 49 VAL CA C 13 63.454 0.01 . 1 . . . . . 49 VAL CA . 15587 1 528 . 1 . 1 49 49 VAL CB C 13 31.695 0.01 . 1 . . . . . 49 VAL CB . 15587 1 529 . 1 . 1 49 49 VAL CG1 C 13 25.267 0.01 . 1 . . . . . 49 VAL CG1 . 15587 1 530 . 1 . 1 49 49 VAL CG2 C 13 22.874 0.01 . 1 . . . . . 49 VAL CG2 . 15587 1 531 . 1 . 1 49 49 VAL N N 15 120.510 0.01 . 1 . . . . . 49 VAL N . 15587 1 532 . 1 . 1 50 50 LYS H H 1 8.334 0.01 . 1 . . . . . 50 LYS H . 15587 1 533 . 1 . 1 50 50 LYS HA H 1 4.242 0.01 . 1 . . . . . 50 LYS HA . 15587 1 534 . 1 . 1 50 50 LYS HB2 H 1 1.779 0.01 . 1 . . . . . 50 LYS HB2 . 15587 1 535 . 1 . 1 50 50 LYS HB3 H 1 1.779 0.01 . 1 . . . . . 50 LYS HB3 . 15587 1 536 . 1 . 1 50 50 LYS HD2 H 1 1.566 0.01 . 1 . . . . . 50 LYS HD2 . 15587 1 537 . 1 . 1 50 50 LYS HD3 H 1 1.566 0.01 . 1 . . . . . 50 LYS HD3 . 15587 1 538 . 1 . 1 50 50 LYS HE2 H 1 2.970 0.01 . 1 . . . . . 50 LYS HE2 . 15587 1 539 . 1 . 1 50 50 LYS HE3 H 1 2.970 0.01 . 1 . . . . . 50 LYS HE3 . 15587 1 540 . 1 . 1 50 50 LYS HG2 H 1 1.437 0.01 . 1 . . . . . 50 LYS HG2 . 15587 1 541 . 1 . 1 50 50 LYS HG3 H 1 1.437 0.01 . 1 . . . . . 50 LYS HG3 . 15587 1 542 . 1 . 1 50 50 LYS C C 13 176.562 0.01 . 1 . . . . . 50 LYS C . 15587 1 543 . 1 . 1 50 50 LYS CA C 13 55.979 0.1 . 1 . . . . . 50 LYS CA . 15587 1 544 . 1 . 1 50 50 LYS CB C 13 32.822 0.1 . 1 . . . . . 50 LYS CB . 15587 1 545 . 1 . 1 50 50 LYS CD C 13 28.245 0.01 . 1 . . . . . 50 LYS CD . 15587 1 546 . 1 . 1 50 50 LYS CE C 13 42.408 0.01 . 1 . . . . . 50 LYS CE . 15587 1 547 . 1 . 1 50 50 LYS CG C 13 24.413 0.01 . 1 . . . . . 50 LYS CG . 15587 1 548 . 1 . 1 50 50 LYS N N 15 125.933 0.01 . 1 . . . . . 50 LYS N . 15587 1 549 . 1 . 1 51 51 GLU H H 1 7.598 0.01 . 1 . . . . . 51 GLU H . 15587 1 550 . 1 . 1 51 51 GLU HA H 1 4.328 0.01 . 1 . . . . . 51 GLU HA . 15587 1 551 . 1 . 1 51 51 GLU HB2 H 1 2.054 0.01 . 1 . . . . . 51 GLU HB2 . 15587 1 552 . 1 . 1 51 51 GLU HB3 H 1 2.054 0.01 . 1 . . . . . 51 GLU HB3 . 15587 1 553 . 1 . 1 51 51 GLU C C 13 172.975 0.01 . 1 . . . . . 51 GLU C . 15587 1 554 . 1 . 1 51 51 GLU CA C 13 55.074 0.1 . 1 . . . . . 51 GLU CA . 15587 1 555 . 1 . 1 51 51 GLU CB C 13 32.633 0.01 . 1 . . . . . 51 GLU CB . 15587 1 556 . 1 . 1 51 51 GLU CG C 13 36.115 0.01 . 1 . . . . . 51 GLU CG . 15587 1 557 . 1 . 1 51 51 GLU N N 15 117.804 0.1 . 1 . . . . . 51 GLU N . 15587 1 558 . 1 . 1 52 52 ARG H H 1 8.383 0.01 . 1 . . . . . 52 ARG H . 15587 1 559 . 1 . 1 52 52 ARG CA C 13 53.279 0.01 . 1 . . . . . 52 ARG CA . 15587 1 560 . 1 . 1 52 52 ARG CB C 13 26.615 0.01 . 1 . . . . . 52 ARG CB . 15587 1 561 . 1 . 1 52 52 ARG N N 15 111.793 0.01 . 1 . . . . . 52 ARG N . 15587 1 562 . 1 . 1 53 53 PRO HA H 1 4.029 0.01 . 1 . . . . . 53 PRO HA . 15587 1 563 . 1 . 1 53 53 PRO HB2 H 1 2.093 0.01 . 1 . . . . . 53 PRO HB2 . 15587 1 564 . 1 . 1 53 53 PRO HB3 H 1 1.831 0.01 . 1 . . . . . 53 PRO HB3 . 15587 1 565 . 1 . 1 53 53 PRO HD2 H 1 3.317 0.01 . 1 . . . . . 53 PRO HD2 . 15587 1 566 . 1 . 1 53 53 PRO HD3 H 1 3.317 0.01 . 1 . . . . . 53 PRO HD3 . 15587 1 567 . 1 . 1 53 53 PRO HG2 H 1 1.943 0.01 . 1 . . . . . 53 PRO HG2 . 15587 1 568 . 1 . 1 53 53 PRO HG3 H 1 1.943 0.01 . 1 . . . . . 53 PRO HG3 . 15587 1 569 . 1 . 1 53 53 PRO C C 13 177.018 0.01 . 1 . . . . . 53 PRO C . 15587 1 570 . 1 . 1 53 53 PRO CA C 13 65.474 0.1 . 1 . . . . . 53 PRO CA . 15587 1 571 . 1 . 1 53 53 PRO CB C 13 30.916 0.1 . 1 . . . . . 53 PRO CB . 15587 1 572 . 1 . 1 53 53 PRO CD C 13 50.688 0.01 . 1 . . . . . 53 PRO CD . 15587 1 573 . 1 . 1 53 53 PRO CG C 13 27.704 0.01 . 1 . . . . . 53 PRO CG . 15587 1 574 . 1 . 1 53 53 PRO N N 15 111.793 0.01 . 1 . . . . . 53 PRO N . 15587 1 575 . 1 . 1 54 54 ASP H H 1 8.462 0.01 . 1 . . . . . 54 ASP H . 15587 1 576 . 1 . 1 54 54 ASP HA H 1 4.345 0.01 . 1 . . . . . 54 ASP HA . 15587 1 577 . 1 . 1 54 54 ASP HB2 H 1 2.549 0.01 . 1 . . . . . 54 ASP HB2 . 15587 1 578 . 1 . 1 54 54 ASP HB3 H 1 2.549 0.01 . 1 . . . . . 54 ASP HB3 . 15587 1 579 . 1 . 1 54 54 ASP C C 13 176.493 0.01 . 1 . . . . . 54 ASP C . 15587 1 580 . 1 . 1 54 54 ASP CA C 13 54.982 0.01 . 1 . . . . . 54 ASP CA . 15587 1 581 . 1 . 1 54 54 ASP CB C 13 39.451 0.01 . 1 . . . . . 54 ASP CB . 15587 1 582 . 1 . 1 54 54 ASP N N 15 113.848 0.1 . 1 . . . . . 54 ASP N . 15587 1 583 . 1 . 1 55 55 LEU H H 1 7.766 0.01 . 1 . . . . . 55 LEU H . 15587 1 584 . 1 . 1 55 55 LEU HA H 1 4.235 0.01 . 1 . . . . . 55 LEU HA . 15587 1 585 . 1 . 1 55 55 LEU HB2 H 1 1.936 0.01 . 1 . . . . . 55 LEU HB2 . 15587 1 586 . 1 . 1 55 55 LEU HB3 H 1 1.443 0.01 . 1 . . . . . 55 LEU HB3 . 15587 1 587 . 1 . 1 55 55 LEU HD11 H 1 0.697 0.01 . 1 . . . . . 55 LEU HD1 . 15587 1 588 . 1 . 1 55 55 LEU HD12 H 1 0.697 0.01 . 1 . . . . . 55 LEU HD1 . 15587 1 589 . 1 . 1 55 55 LEU HD13 H 1 0.697 0.01 . 1 . . . . . 55 LEU HD1 . 15587 1 590 . 1 . 1 55 55 LEU HD21 H 1 0.697 0.01 . 1 . . . . . 55 LEU HD2 . 15587 1 591 . 1 . 1 55 55 LEU HD22 H 1 0.697 0.01 . 1 . . . . . 55 LEU HD2 . 15587 1 592 . 1 . 1 55 55 LEU HD23 H 1 0.697 0.01 . 1 . . . . . 55 LEU HD2 . 15587 1 593 . 1 . 1 55 55 LEU HG H 1 1.443 0.01 . 1 . . . . . 55 LEU HG . 15587 1 594 . 1 . 1 55 55 LEU C C 13 175.873 0.01 . 1 . . . . . 55 LEU C . 15587 1 595 . 1 . 1 55 55 LEU CA C 13 55.305 0.01 . 1 . . . . . 55 LEU CA . 15587 1 596 . 1 . 1 55 55 LEU CB C 13 41.271 0.1 . 1 . . . . . 55 LEU CB . 15587 1 597 . 1 . 1 55 55 LEU CD1 C 13 25.313 0.01 . 1 . . . . . 55 LEU CD1 . 15587 1 598 . 1 . 1 55 55 LEU CD2 C 13 22.734 0.01 . 1 . . . . . 55 LEU CD2 . 15587 1 599 . 1 . 1 55 55 LEU CG C 13 27.205 0.01 . 1 . . . . . 55 LEU CG . 15587 1 600 . 1 . 1 55 55 LEU N N 15 117.721 0.1 . 1 . . . . . 55 LEU N . 15587 1 601 . 1 . 1 56 56 LEU H H 1 7.630 0.01 . 1 . . . . . 56 LEU H . 15587 1 602 . 1 . 1 56 56 LEU HA H 1 4.552 0.01 . 1 . . . . . 56 LEU HA . 15587 1 603 . 1 . 1 56 56 LEU HB2 H 1 1.773 0.01 . 1 . . . . . 56 LEU HB2 . 15587 1 604 . 1 . 1 56 56 LEU HB3 H 1 1.150 0.01 . 1 . . . . . 56 LEU HB3 . 15587 1 605 . 1 . 1 56 56 LEU HD11 H 1 0.710 0.01 . 1 . . . . . 56 LEU HD1 . 15587 1 606 . 1 . 1 56 56 LEU HD12 H 1 0.710 0.01 . 1 . . . . . 56 LEU HD1 . 15587 1 607 . 1 . 1 56 56 LEU HD13 H 1 0.710 0.01 . 1 . . . . . 56 LEU HD1 . 15587 1 608 . 1 . 1 56 56 LEU HD21 H 1 0.710 0.01 . 1 . . . . . 56 LEU HD2 . 15587 1 609 . 1 . 1 56 56 LEU HD22 H 1 0.710 0.01 . 1 . . . . . 56 LEU HD2 . 15587 1 610 . 1 . 1 56 56 LEU HD23 H 1 0.710 0.01 . 1 . . . . . 56 LEU HD2 . 15587 1 611 . 1 . 1 56 56 LEU HG H 1 1.150 0.01 . 1 . . . . . 56 LEU HG . 15587 1 612 . 1 . 1 56 56 LEU C C 13 175.341 0.01 . 1 . . . . . 56 LEU C . 15587 1 613 . 1 . 1 56 56 LEU CA C 13 55.516 0.01 . 1 . . . . . 56 LEU CA . 15587 1 614 . 1 . 1 56 56 LEU CB C 13 44.910 0.1 . 1 . . . . . 56 LEU CB . 15587 1 615 . 1 . 1 56 56 LEU CD1 C 13 22.302 0.01 . 1 . . . . . 56 LEU CD1 . 15587 1 616 . 1 . 1 56 56 LEU CD2 C 13 19.216 0.01 . 1 . . . . . 56 LEU CD2 . 15587 1 617 . 1 . 1 56 56 LEU CG C 13 26.453 0.01 . 1 . . . . . 56 LEU CG . 15587 1 618 . 1 . 1 56 56 LEU N N 15 118.796 0.01 . 1 . . . . . 56 LEU N . 15587 1 619 . 1 . 1 57 57 VAL H H 1 7.206 0.01 . 1 . . . . . 57 VAL H . 15587 1 620 . 1 . 1 57 57 VAL HA H 1 5.048 0.01 . 1 . . . . . 57 VAL HA . 15587 1 621 . 1 . 1 57 57 VAL HB H 1 1.999 0.01 . 1 . . . . . 57 VAL HB . 15587 1 622 . 1 . 1 57 57 VAL HG11 H 1 0.875 0.01 . 1 . . . . . 57 VAL HG1 . 15587 1 623 . 1 . 1 57 57 VAL HG12 H 1 0.875 0.01 . 1 . . . . . 57 VAL HG1 . 15587 1 624 . 1 . 1 57 57 VAL HG13 H 1 0.875 0.01 . 1 . . . . . 57 VAL HG1 . 15587 1 625 . 1 . 1 57 57 VAL HG21 H 1 0.556 0.01 . 1 . . . . . 57 VAL HG2 . 15587 1 626 . 1 . 1 57 57 VAL HG22 H 1 0.556 0.01 . 1 . . . . . 57 VAL HG2 . 15587 1 627 . 1 . 1 57 57 VAL HG23 H 1 0.556 0.01 . 1 . . . . . 57 VAL HG2 . 15587 1 628 . 1 . 1 57 57 VAL C C 13 175.020 0.01 . 1 . . . . . 57 VAL C . 15587 1 629 . 1 . 1 57 57 VAL CA C 13 58.550 0.01 . 1 . . . . . 57 VAL CA . 15587 1 630 . 1 . 1 57 57 VAL CB C 13 35.049 0.01 . 1 . . . . . 57 VAL CB . 15587 1 631 . 1 . 1 57 57 VAL CG1 C 13 22.060 0.01 . 1 . . . . . 57 VAL CG1 . 15587 1 632 . 1 . 1 57 57 VAL CG2 C 13 18.881 0.01 . 1 . . . . . 57 VAL CG2 . 15587 1 633 . 1 . 1 57 57 VAL N N 15 106.872 0.01 . 1 . . . . . 57 VAL N . 15587 1 634 . 1 . 1 58 58 ASP H H 1 8.447 0.01 . 1 . . . . . 58 ASP H . 15587 1 635 . 1 . 1 58 58 ASP HA H 1 4.459 0.01 . 1 . . . . . 58 ASP HA . 15587 1 636 . 1 . 1 58 58 ASP HB2 H 1 3.104 0.01 . 1 . . . . . 58 ASP HB2 . 15587 1 637 . 1 . 1 58 58 ASP HB3 H 1 2.489 0.01 . 1 . . . . . 58 ASP HB3 . 15587 1 638 . 1 . 1 58 58 ASP C C 13 177.406 0.01 . 1 . . . . . 58 ASP C . 15587 1 639 . 1 . 1 58 58 ASP CA C 13 53.130 0.01 . 1 . . . . . 58 ASP CA . 15587 1 640 . 1 . 1 58 58 ASP CB C 13 40.985 0.01 . 1 . . . . . 58 ASP CB . 15587 1 641 . 1 . 1 58 58 ASP N N 15 118.741 0.1 . 1 . . . . . 58 ASP N . 15587 1 642 . 1 . 1 59 59 GLN H H 1 8.883 0.01 . 1 . . . . . 59 GLN H . 15587 1 643 . 1 . 1 59 59 GLN HA H 1 4.031 0.01 . 1 . . . . . 59 GLN HA . 15587 1 644 . 1 . 1 59 59 GLN HB2 H 1 2.110 0.01 . 1 . . . . . 59 GLN HB2 . 15587 1 645 . 1 . 1 59 59 GLN HB3 H 1 2.110 0.01 . 1 . . . . . 59 GLN HB3 . 15587 1 646 . 1 . 1 59 59 GLN HG2 H 1 2.404 0.01 . 1 . . . . . 59 GLN HG2 . 15587 1 647 . 1 . 1 59 59 GLN HG3 H 1 2.404 0.01 . 1 . . . . . 59 GLN HG3 . 15587 1 648 . 1 . 1 59 59 GLN C C 13 177.499 0.01 . 1 . . . . . 59 GLN C . 15587 1 649 . 1 . 1 59 59 GLN CA C 13 59.120 0.01 . 1 . . . . . 59 GLN CA . 15587 1 650 . 1 . 1 59 59 GLN CB C 13 28.389 0.1 . 1 . . . . . 59 GLN CB . 15587 1 651 . 1 . 1 59 59 GLN CG C 13 33.884 0.01 . 1 . . . . . 59 GLN CG . 15587 1 652 . 1 . 1 59 59 GLN N N 15 119.603 0.01 . 1 . . . . . 59 GLN N . 15587 1 653 . 1 . 1 60 60 THR H H 1 8.060 0.01 . 1 . . . . . 60 THR H . 15587 1 654 . 1 . 1 60 60 THR HA H 1 4.296 0.01 . 1 . . . . . 60 THR HA . 15587 1 655 . 1 . 1 60 60 THR HB H 1 3.877 0.01 . 1 . . . . . 60 THR HB . 15587 1 656 . 1 . 1 60 60 THR HG21 H 1 1.247 0.01 . 1 . . . . . 60 THR HG2 . 15587 1 657 . 1 . 1 60 60 THR HG22 H 1 1.247 0.01 . 1 . . . . . 60 THR HG2 . 15587 1 658 . 1 . 1 60 60 THR HG23 H 1 1.247 0.01 . 1 . . . . . 60 THR HG2 . 15587 1 659 . 1 . 1 60 60 THR C C 13 176.363 0.01 . 1 . . . . . 60 THR C . 15587 1 660 . 1 . 1 60 60 THR CA C 13 63.358 0.1 . 1 . . . . . 60 THR CA . 15587 1 661 . 1 . 1 60 60 THR CB C 13 70.577 0.1 . 1 . . . . . 60 THR CB . 15587 1 662 . 1 . 1 60 60 THR CG2 C 13 22.103 0.01 . 1 . . . . . 60 THR CG2 . 15587 1 663 . 1 . 1 60 60 THR N N 15 109.323 0.01 . 1 . . . . . 60 THR N . 15587 1 664 . 1 . 1 61 61 GLY H H 1 8.001 0.01 . 1 . . . . . 61 GLY H . 15587 1 665 . 1 . 1 61 61 GLY HA2 H 1 4.173 0.01 . 1 . . . . . 61 GLY HA2 . 15587 1 666 . 1 . 1 61 61 GLY HA3 H 1 3.610 0.01 . 1 . . . . . 61 GLY HA3 . 15587 1 667 . 1 . 1 61 61 GLY C C 13 174.049 0.01 . 1 . . . . . 61 GLY C . 15587 1 668 . 1 . 1 61 61 GLY CA C 13 45.301 0.1 . 1 . . . . . 61 GLY CA . 15587 1 669 . 1 . 1 61 61 GLY N N 15 109.323 0.01 . 1 . . . . . 61 GLY N . 15587 1 670 . 1 . 1 62 62 GLN H H 1 8.091 0.01 . 1 . . . . . 62 GLN H . 15587 1 671 . 1 . 1 62 62 GLN HA H 1 4.172 0.01 . 1 . . . . . 62 GLN HA . 15587 1 672 . 1 . 1 62 62 GLN HB2 H 1 2.160 0.01 . 1 . . . . . 62 GLN HB2 . 15587 1 673 . 1 . 1 62 62 GLN HB3 H 1 1.830 0.01 . 1 . . . . . 62 GLN HB3 . 15587 1 674 . 1 . 1 62 62 GLN C C 13 175.201 0.01 . 1 . . . . . 62 GLN C . 15587 1 675 . 1 . 1 62 62 GLN CA C 13 56.474 0.01 . 1 . . . . . 62 GLN CA . 15587 1 676 . 1 . 1 62 62 GLN CB C 13 30.618 0.1 . 1 . . . . . 62 GLN CB . 15587 1 677 . 1 . 1 62 62 GLN CG C 13 33.685 0.01 . 1 . . . . . 62 GLN CG . 15587 1 678 . 1 . 1 62 62 GLN N N 15 117.247 0.1 . 1 . . . . . 62 GLN N . 15587 1 679 . 1 . 1 63 63 THR H H 1 7.740 0.01 . 1 . . . . . 63 THR H . 15587 1 680 . 1 . 1 63 63 THR HA H 1 4.624 0.01 . 1 . . . . . 63 THR HA . 15587 1 681 . 1 . 1 63 63 THR HB H 1 3.999 0.01 . 1 . . . . . 63 THR HB . 15587 1 682 . 1 . 1 63 63 THR HG21 H 1 1.154 0.01 . 1 . . . . . 63 THR HG2 . 15587 1 683 . 1 . 1 63 63 THR HG22 H 1 1.154 0.01 . 1 . . . . . 63 THR HG2 . 15587 1 684 . 1 . 1 63 63 THR HG23 H 1 1.154 0.01 . 1 . . . . . 63 THR HG2 . 15587 1 685 . 1 . 1 63 63 THR C C 13 172.622 0.01 . 1 . . . . . 63 THR C . 15587 1 686 . 1 . 1 63 63 THR CA C 13 59.718 0.1 . 1 . . . . . 63 THR CA . 15587 1 687 . 1 . 1 63 63 THR CB C 13 70.832 0.1 . 1 . . . . . 63 THR CB . 15587 1 688 . 1 . 1 63 63 THR CG2 C 13 20.688 0.01 . 1 . . . . . 63 THR CG2 . 15587 1 689 . 1 . 1 63 63 THR N N 15 113.860 0.01 . 1 . . . . . 63 THR N . 15587 1 690 . 1 . 1 64 64 LEU H H 1 8.364 0.01 . 1 . . . . . 64 LEU H . 15587 1 691 . 1 . 1 64 64 LEU HA H 1 4.324 0.01 . 1 . . . . . 64 LEU HA . 15587 1 692 . 1 . 1 64 64 LEU HB2 H 1 1.804 0.01 . 1 . . . . . 64 LEU HB2 . 15587 1 693 . 1 . 1 64 64 LEU HB3 H 1 1.570 0.01 . 1 . . . . . 64 LEU HB3 . 15587 1 694 . 1 . 1 64 64 LEU HD11 H 1 1.073 0.01 . 1 . . . . . 64 LEU HD1 . 15587 1 695 . 1 . 1 64 64 LEU HD12 H 1 1.073 0.01 . 1 . . . . . 64 LEU HD1 . 15587 1 696 . 1 . 1 64 64 LEU HD13 H 1 1.073 0.01 . 1 . . . . . 64 LEU HD1 . 15587 1 697 . 1 . 1 64 64 LEU HD21 H 1 0.963 0.01 . 1 . . . . . 64 LEU HD2 . 15587 1 698 . 1 . 1 64 64 LEU HD22 H 1 0.963 0.01 . 1 . . . . . 64 LEU HD2 . 15587 1 699 . 1 . 1 64 64 LEU HD23 H 1 0.963 0.01 . 1 . . . . . 64 LEU HD2 . 15587 1 700 . 1 . 1 64 64 LEU HG H 1 1.977 0.01 . 1 . . . . . 64 LEU HG . 15587 1 701 . 1 . 1 64 64 LEU C C 13 176.311 0.01 . 1 . . . . . 64 LEU C . 15587 1 702 . 1 . 1 64 64 LEU CA C 13 55.025 0.1 . 1 . . . . . 64 LEU CA . 15587 1 703 . 1 . 1 64 64 LEU CB C 13 43.871 0.1 . 1 . . . . . 64 LEU CB . 15587 1 704 . 1 . 1 64 64 LEU CD1 C 13 24.613 0.01 . 1 . . . . . 64 LEU CD1 . 15587 1 705 . 1 . 1 64 64 LEU CD2 C 13 24.613 0.01 . 1 . . . . . 64 LEU CD2 . 15587 1 706 . 1 . 1 64 64 LEU CG C 13 26.809 0.01 . 1 . . . . . 64 LEU CG . 15587 1 707 . 1 . 1 64 64 LEU N N 15 123.689 0.1 . 1 . . . . . 64 LEU N . 15587 1 708 . 1 . 1 65 65 ARG H H 1 8.192 0.01 . 1 . . . . . 65 ARG H . 15587 1 709 . 1 . 1 65 65 ARG C C 13 173.609 0.01 . 1 . . . . . 65 ARG C . 15587 1 710 . 1 . 1 65 65 ARG CA C 13 55.287 0.01 . 1 . . . . . 65 ARG CA . 15587 1 711 . 1 . 1 65 65 ARG CB C 13 29.681 0.01 . 1 . . . . . 65 ARG CB . 15587 1 712 . 1 . 1 65 65 ARG N N 15 126.639 0.1 . 1 . . . . . 65 ARG N . 15587 1 713 . 1 . 1 66 66 PRO HA H 1 4.390 0.01 . 1 . . . . . 66 PRO HA . 15587 1 714 . 1 . 1 66 66 PRO HB2 H 1 2.298 0.01 . 1 . . . . . 66 PRO HB2 . 15587 1 715 . 1 . 1 66 66 PRO HB3 H 1 1.806 0.01 . 1 . . . . . 66 PRO HB3 . 15587 1 716 . 1 . 1 66 66 PRO HD2 H 1 3.887 0.01 . 1 . . . . . 66 PRO HD2 . 15587 1 717 . 1 . 1 66 66 PRO HD3 H 1 3.604 0.01 . 1 . . . . . 66 PRO HD3 . 15587 1 718 . 1 . 1 66 66 PRO HG2 H 1 2.051 0.01 . 1 . . . . . 66 PRO HG2 . 15587 1 719 . 1 . 1 66 66 PRO HG3 H 1 2.051 0.01 . 1 . . . . . 66 PRO HG3 . 15587 1 720 . 1 . 1 66 66 PRO C C 13 177.030 0.01 . 1 . . . . . 66 PRO C . 15587 1 721 . 1 . 1 66 66 PRO CA C 13 63.719 0.01 . 1 . . . . . 66 PRO CA . 15587 1 722 . 1 . 1 66 66 PRO CB C 13 31.825 0.1 . 1 . . . . . 66 PRO CB . 15587 1 723 . 1 . 1 66 66 PRO CD C 13 51.288 0.01 . 1 . . . . . 66 PRO CD . 15587 1 724 . 1 . 1 66 66 PRO CG C 13 28.266 0.01 . 1 . . . . . 66 PRO CG . 15587 1 725 . 1 . 1 66 66 PRO N N 15 126.639 0.1 . 1 . . . . . 66 PRO N . 15587 1 726 . 1 . 1 67 67 GLY H H 1 8.744 0.01 . 1 . . . . . 67 GLY H . 15587 1 727 . 1 . 1 67 67 GLY HA2 H 1 4.232 0.01 . 1 . . . . . 67 GLY HA2 . 15587 1 728 . 1 . 1 67 67 GLY HA3 H 1 3.544 0.01 . 1 . . . . . 67 GLY HA3 . 15587 1 729 . 1 . 1 67 67 GLY C C 13 174.319 0.01 . 1 . . . . . 67 GLY C . 15587 1 730 . 1 . 1 67 67 GLY CA C 13 44.818 0.1 . 1 . . . . . 67 GLY CA . 15587 1 731 . 1 . 1 68 68 ILE H H 1 7.522 0.01 . 1 . . . . . 68 ILE H . 15587 1 732 . 1 . 1 68 68 ILE HA H 1 4.690 0.01 . 1 . . . . . 68 ILE HA . 15587 1 733 . 1 . 1 68 68 ILE HB H 1 1.905 0.01 . 1 . . . . . 68 ILE HB . 15587 1 734 . 1 . 1 68 68 ILE HD11 H 1 1.019 0.01 . 1 . . . . . 68 ILE HD1 . 15587 1 735 . 1 . 1 68 68 ILE HD12 H 1 1.019 0.01 . 1 . . . . . 68 ILE HD1 . 15587 1 736 . 1 . 1 68 68 ILE HD13 H 1 1.019 0.01 . 1 . . . . . 68 ILE HD1 . 15587 1 737 . 1 . 1 68 68 ILE HG12 H 1 1.608 0.01 . 1 . . . . . 68 ILE HG12 . 15587 1 738 . 1 . 1 68 68 ILE HG13 H 1 1.608 0.01 . 1 . . . . . 68 ILE HG13 . 15587 1 739 . 1 . 1 68 68 ILE HG21 H 1 1.019 0.01 . 1 . . . . . 68 ILE HG2 . 15587 1 740 . 1 . 1 68 68 ILE HG22 H 1 1.019 0.01 . 1 . . . . . 68 ILE HG2 . 15587 1 741 . 1 . 1 68 68 ILE HG23 H 1 1.019 0.01 . 1 . . . . . 68 ILE HG2 . 15587 1 742 . 1 . 1 68 68 ILE C C 13 174.703 0.01 . 1 . . . . . 68 ILE C . 15587 1 743 . 1 . 1 68 68 ILE CA C 13 61.047 0.01 . 1 . . . . . 68 ILE CA . 15587 1 744 . 1 . 1 68 68 ILE CB C 13 38.090 0.1 . 1 . . . . . 68 ILE CB . 15587 1 745 . 1 . 1 68 68 ILE CD1 C 13 12.807 0.01 . 1 . . . . . 68 ILE CD1 . 15587 1 746 . 1 . 1 68 68 ILE CG1 C 13 28.217 0.01 . 1 . . . . . 68 ILE CG1 . 15587 1 747 . 1 . 1 68 68 ILE CG2 C 13 19.235 0.01 . 1 . . . . . 68 ILE CG2 . 15587 1 748 . 1 . 1 68 68 ILE N N 15 121.049 0.01 . 1 . . . . . 68 ILE N . 15587 1 749 . 1 . 1 69 69 LEU H H 1 9.207 0.01 . 1 . . . . . 69 LEU H . 15587 1 750 . 1 . 1 69 69 LEU HA H 1 4.449 0.01 . 1 . . . . . 69 LEU HA . 15587 1 751 . 1 . 1 69 69 LEU HB2 H 1 1.486 0.01 . 1 . . . . . 69 LEU HB2 . 15587 1 752 . 1 . 1 69 69 LEU HB3 H 1 1.486 0.01 . 1 . . . . . 69 LEU HB3 . 15587 1 753 . 1 . 1 69 69 LEU HD11 H 1 0.781 0.01 . 1 . . . . . 69 LEU HD1 . 15587 1 754 . 1 . 1 69 69 LEU HD12 H 1 0.781 0.01 . 1 . . . . . 69 LEU HD1 . 15587 1 755 . 1 . 1 69 69 LEU HD13 H 1 0.781 0.01 . 1 . . . . . 69 LEU HD1 . 15587 1 756 . 1 . 1 69 69 LEU HD21 H 1 0.781 0.01 . 1 . . . . . 69 LEU HD2 . 15587 1 757 . 1 . 1 69 69 LEU HD22 H 1 0.781 0.01 . 1 . . . . . 69 LEU HD2 . 15587 1 758 . 1 . 1 69 69 LEU HD23 H 1 0.781 0.01 . 1 . . . . . 69 LEU HD2 . 15587 1 759 . 1 . 1 69 69 LEU HG H 1 1.486 0.01 . 1 . . . . . 69 LEU HG . 15587 1 760 . 1 . 1 69 69 LEU C C 13 174.991 0.01 . 1 . . . . . 69 LEU C . 15587 1 761 . 1 . 1 69 69 LEU CA C 13 54.106 0.1 . 1 . . . . . 69 LEU CA . 15587 1 762 . 1 . 1 69 69 LEU CB C 13 43.588 0.1 . 1 . . . . . 69 LEU CB . 15587 1 763 . 1 . 1 69 69 LEU CD1 C 13 24.272 0.01 . 1 . . . . . 69 LEU CD1 . 15587 1 764 . 1 . 1 69 69 LEU CD2 C 13 24.272 0.01 . 1 . . . . . 69 LEU CD2 . 15587 1 765 . 1 . 1 69 69 LEU CG C 13 27.226 0.01 . 1 . . . . . 69 LEU CG . 15587 1 766 . 1 . 1 69 69 LEU N N 15 131.197 0.1 . 1 . . . . . 69 LEU N . 15587 1 767 . 1 . 1 70 70 VAL H H 1 8.149 0.01 . 1 . . . . . 70 VAL H . 15587 1 768 . 1 . 1 70 70 VAL HA H 1 4.955 0.01 . 1 . . . . . 70 VAL HA . 15587 1 769 . 1 . 1 70 70 VAL HB H 1 1.625 0.01 . 1 . . . . . 70 VAL HB . 15587 1 770 . 1 . 1 70 70 VAL HG11 H 1 0.656 0.01 . 1 . . . . . 70 VAL HG1 . 15587 1 771 . 1 . 1 70 70 VAL HG12 H 1 0.656 0.01 . 1 . . . . . 70 VAL HG1 . 15587 1 772 . 1 . 1 70 70 VAL HG13 H 1 0.656 0.01 . 1 . . . . . 70 VAL HG1 . 15587 1 773 . 1 . 1 70 70 VAL HG21 H 1 0.656 0.01 . 1 . . . . . 70 VAL HG2 . 15587 1 774 . 1 . 1 70 70 VAL HG22 H 1 0.656 0.01 . 1 . . . . . 70 VAL HG2 . 15587 1 775 . 1 . 1 70 70 VAL HG23 H 1 0.656 0.01 . 1 . . . . . 70 VAL HG2 . 15587 1 776 . 1 . 1 70 70 VAL C C 13 175.167 0.01 . 1 . . . . . 70 VAL C . 15587 1 777 . 1 . 1 70 70 VAL CA C 13 59.928 0.1 . 1 . . . . . 70 VAL CA . 15587 1 778 . 1 . 1 70 70 VAL CB C 13 33.239 0.1 . 1 . . . . . 70 VAL CB . 15587 1 779 . 1 . 1 70 70 VAL CG1 C 13 22.970 0.01 . 1 . . . . . 70 VAL CG1 . 15587 1 780 . 1 . 1 70 70 VAL CG2 C 13 22.970 0.01 . 1 . . . . . 70 VAL CG2 . 15587 1 781 . 1 . 1 70 70 VAL N N 15 121.953 0.1 . 1 . . . . . 70 VAL N . 15587 1 782 . 1 . 1 71 71 LEU H H 1 8.881 0.01 . 1 . . . . . 71 LEU H . 15587 1 783 . 1 . 1 71 71 LEU HA H 1 4.922 0.01 . 1 . . . . . 71 LEU HA . 15587 1 784 . 1 . 1 71 71 LEU HB2 H 1 1.505 0.01 . 1 . . . . . 71 LEU HB2 . 15587 1 785 . 1 . 1 71 71 LEU HB3 H 1 0.755 0.01 . 1 . . . . . 71 LEU HB3 . 15587 1 786 . 1 . 1 71 71 LEU HD11 H 1 0.552 0.01 . 1 . . . . . 71 LEU HD1 . 15587 1 787 . 1 . 1 71 71 LEU HD12 H 1 0.552 0.01 . 1 . . . . . 71 LEU HD1 . 15587 1 788 . 1 . 1 71 71 LEU HD13 H 1 0.552 0.01 . 1 . . . . . 71 LEU HD1 . 15587 1 789 . 1 . 1 71 71 LEU HD21 H 1 0.552 0.01 . 1 . . . . . 71 LEU HD2 . 15587 1 790 . 1 . 1 71 71 LEU HD22 H 1 0.552 0.01 . 1 . . . . . 71 LEU HD2 . 15587 1 791 . 1 . 1 71 71 LEU HD23 H 1 0.552 0.01 . 1 . . . . . 71 LEU HD2 . 15587 1 792 . 1 . 1 71 71 LEU HG H 1 1.256 0.01 . 1 . . . . . 71 LEU HG . 15587 1 793 . 1 . 1 71 71 LEU C C 13 176.487 0.01 . 1 . . . . . 71 LEU C . 15587 1 794 . 1 . 1 71 71 LEU CA C 13 52.627 0.1 . 1 . . . . . 71 LEU CA . 15587 1 795 . 1 . 1 71 71 LEU CB C 13 44.487 0.1 . 1 . . . . . 71 LEU CB . 15587 1 796 . 1 . 1 71 71 LEU CD1 C 13 25.726 0.01 . 1 . . . . . 71 LEU CD1 . 15587 1 797 . 1 . 1 71 71 LEU CD2 C 13 23.403 0.01 . 1 . . . . . 71 LEU CD2 . 15587 1 798 . 1 . 1 71 71 LEU CG C 13 26.935 0.01 . 1 . . . . . 71 LEU CG . 15587 1 799 . 1 . 1 71 71 LEU N N 15 126.071 0.01 . 1 . . . . . 71 LEU N . 15587 1 800 . 1 . 1 72 72 VAL H H 1 9.048 0.01 . 1 . . . . . 72 VAL H . 15587 1 801 . 1 . 1 72 72 VAL HA H 1 4.351 0.01 . 1 . . . . . 72 VAL HA . 15587 1 802 . 1 . 1 72 72 VAL HB H 1 1.363 0.01 . 1 . . . . . 72 VAL HB . 15587 1 803 . 1 . 1 72 72 VAL HG11 H 1 0.465 0.01 . 1 . . . . . 72 VAL HG1 . 15587 1 804 . 1 . 1 72 72 VAL HG12 H 1 0.465 0.01 . 1 . . . . . 72 VAL HG1 . 15587 1 805 . 1 . 1 72 72 VAL HG13 H 1 0.465 0.01 . 1 . . . . . 72 VAL HG1 . 15587 1 806 . 1 . 1 72 72 VAL HG21 H 1 0.465 0.01 . 1 . . . . . 72 VAL HG2 . 15587 1 807 . 1 . 1 72 72 VAL HG22 H 1 0.465 0.01 . 1 . . . . . 72 VAL HG2 . 15587 1 808 . 1 . 1 72 72 VAL HG23 H 1 0.465 0.01 . 1 . . . . . 72 VAL HG2 . 15587 1 809 . 1 . 1 72 72 VAL C C 13 176.078 0.01 . 1 . . . . . 72 VAL C . 15587 1 810 . 1 . 1 72 72 VAL CA C 13 60.886 0.01 . 1 . . . . . 72 VAL CA . 15587 1 811 . 1 . 1 72 72 VAL CB C 13 33.141 0.1 . 1 . . . . . 72 VAL CB . 15587 1 812 . 1 . 1 72 72 VAL CG1 C 13 21.350 0.01 . 1 . . . . . 72 VAL CG1 . 15587 1 813 . 1 . 1 72 72 VAL CG2 C 13 21.350 0.01 . 1 . . . . . 72 VAL CG2 . 15587 1 814 . 1 . 1 72 72 VAL N N 15 120.969 0.1 . 1 . . . . . 72 VAL N . 15587 1 815 . 1 . 1 73 73 ASN H H 1 9.630 0.01 . 1 . . . . . 73 ASN H . 15587 1 816 . 1 . 1 73 73 ASN HA H 1 4.335 0.01 . 1 . . . . . 73 ASN HA . 15587 1 817 . 1 . 1 73 73 ASN HB2 H 1 2.903 0.01 . 1 . . . . . 73 ASN HB2 . 15587 1 818 . 1 . 1 73 73 ASN HB3 H 1 2.731 0.01 . 1 . . . . . 73 ASN HB3 . 15587 1 819 . 1 . 1 73 73 ASN HD21 H 1 7.373 0.01 . 1 . . . . . 73 ASN HD21 . 15587 1 820 . 1 . 1 73 73 ASN HD22 H 1 7.312 0.01 . 1 . . . . . 73 ASN HD22 . 15587 1 821 . 1 . 1 73 73 ASN C C 13 175.496 0.01 . 1 . . . . . 73 ASN C . 15587 1 822 . 1 . 1 73 73 ASN CA C 13 54.736 0.1 . 1 . . . . . 73 ASN CA . 15587 1 823 . 1 . 1 73 73 ASN CB C 13 36.825 0.1 . 1 . . . . . 73 ASN CB . 15587 1 824 . 1 . 1 73 73 ASN N N 15 129.082 0.1 . 1 . . . . . 73 ASN N . 15587 1 825 . 1 . 1 74 74 SER H H 1 9.308 0.01 . 1 . . . . . 74 SER H . 15587 1 826 . 1 . 1 74 74 SER C C 13 172.584 0.01 . 1 . . . . . 74 SER C . 15587 1 827 . 1 . 1 74 74 SER N N 15 106.084 0.01 . 1 . . . . . 74 SER N . 15587 1 828 . 1 . 1 75 75 CYS H H 1 7.845 0.01 . 1 . . . . . 75 CYS H . 15587 1 829 . 1 . 1 75 75 CYS C C 13 176.045 0.01 . 1 . . . . . 75 CYS C . 15587 1 830 . 1 . 1 75 75 CYS CA C 13 57.152 0.01 . 1 . . . . . 75 CYS CA . 15587 1 831 . 1 . 1 75 75 CYS CB C 13 29.101 0.01 . 1 . . . . . 75 CYS CB . 15587 1 832 . 1 . 1 75 75 CYS N N 15 120.460 0.01 . 1 . . . . . 75 CYS N . 15587 1 833 . 1 . 1 76 76 ASP H H 1 8.766 0.01 . 1 . . . . . 76 ASP H . 15587 1 834 . 1 . 1 76 76 ASP HA H 1 4.295 0.01 . 1 . . . . . 76 ASP HA . 15587 1 835 . 1 . 1 76 76 ASP HB2 H 1 2.743 0.01 . 1 . . . . . 76 ASP HB2 . 15587 1 836 . 1 . 1 76 76 ASP HB3 H 1 2.580 0.01 . 1 . . . . . 76 ASP HB3 . 15587 1 837 . 1 . 1 76 76 ASP C C 13 177.713 0.01 . 1 . . . . . 76 ASP C . 15587 1 838 . 1 . 1 76 76 ASP CA C 13 55.721 0.1 . 1 . . . . . 76 ASP CA . 15587 1 839 . 1 . 1 76 76 ASP CB C 13 41.513 0.1 . 1 . . . . . 76 ASP CB . 15587 1 840 . 1 . 1 76 76 ASP N N 15 126.661 0.1 . 1 . . . . . 76 ASP N . 15587 1 841 . 1 . 1 77 77 ALA H H 1 8.555 0.01 . 1 . . . . . 77 ALA H . 15587 1 842 . 1 . 1 77 77 ALA HA H 1 3.688 0.01 . 1 . . . . . 77 ALA HA . 15587 1 843 . 1 . 1 77 77 ALA HB1 H 1 1.069 0.01 . 1 . . . . . 77 ALA HB . 15587 1 844 . 1 . 1 77 77 ALA HB2 H 1 1.069 0.01 . 1 . . . . . 77 ALA HB . 15587 1 845 . 1 . 1 77 77 ALA HB3 H 1 1.069 0.01 . 1 . . . . . 77 ALA HB . 15587 1 846 . 1 . 1 77 77 ALA C C 13 180.149 0.01 . 1 . . . . . 77 ALA C . 15587 1 847 . 1 . 1 77 77 ALA CA C 13 54.334 0.1 . 1 . . . . . 77 ALA CA . 15587 1 848 . 1 . 1 77 77 ALA CB C 13 18.453 0.1 . 1 . . . . . 77 ALA CB . 15587 1 849 . 1 . 1 77 77 ALA N N 15 128.302 0.01 . 1 . . . . . 77 ALA N . 15587 1 850 . 1 . 1 78 78 GLU H H 1 9.034 0.01 . 1 . . . . . 78 GLU H . 15587 1 851 . 1 . 1 78 78 GLU HA H 1 3.763 0.01 . 1 . . . . . 78 GLU HA . 15587 1 852 . 1 . 1 78 78 GLU HB2 H 1 1.954 0.01 . 1 . . . . . 78 GLU HB2 . 15587 1 853 . 1 . 1 78 78 GLU HB3 H 1 1.954 0.01 . 1 . . . . . 78 GLU HB3 . 15587 1 854 . 1 . 1 78 78 GLU HG2 H 1 2.280 0.01 . 1 . . . . . 78 GLU HG2 . 15587 1 855 . 1 . 1 78 78 GLU HG3 H 1 2.280 0.01 . 1 . . . . . 78 GLU HG3 . 15587 1 856 . 1 . 1 78 78 GLU C C 13 179.359 0.01 . 1 . . . . . 78 GLU C . 15587 1 857 . 1 . 1 78 78 GLU CA C 13 59.569 0.01 . 1 . . . . . 78 GLU CA . 15587 1 858 . 1 . 1 78 78 GLU CB C 13 29.511 0.1 . 1 . . . . . 78 GLU CB . 15587 1 859 . 1 . 1 78 78 GLU CG C 13 36.347 0.01 . 1 . . . . . 78 GLU CG . 15587 1 860 . 1 . 1 78 78 GLU N N 15 117.499 0.01 . 1 . . . . . 78 GLU N . 15587 1 861 . 1 . 1 79 79 VAL H H 1 7.753 0.01 . 1 . . . . . 79 VAL H . 15587 1 862 . 1 . 1 79 79 VAL HA H 1 3.927 0.01 . 1 . . . . . 79 VAL HA . 15587 1 863 . 1 . 1 79 79 VAL HB H 1 2.226 0.01 . 1 . . . . . 79 VAL HB . 15587 1 864 . 1 . 1 79 79 VAL HG11 H 1 1.052 0.01 . 1 . . . . . 79 VAL HG1 . 15587 1 865 . 1 . 1 79 79 VAL HG12 H 1 1.052 0.01 . 1 . . . . . 79 VAL HG1 . 15587 1 866 . 1 . 1 79 79 VAL HG13 H 1 1.052 0.01 . 1 . . . . . 79 VAL HG1 . 15587 1 867 . 1 . 1 79 79 VAL HG21 H 1 0.939 0.01 . 1 . . . . . 79 VAL HG2 . 15587 1 868 . 1 . 1 79 79 VAL HG22 H 1 0.939 0.01 . 1 . . . . . 79 VAL HG2 . 15587 1 869 . 1 . 1 79 79 VAL HG23 H 1 0.939 0.01 . 1 . . . . . 79 VAL HG2 . 15587 1 870 . 1 . 1 79 79 VAL C C 13 177.408 0.01 . 1 . . . . . 79 VAL C . 15587 1 871 . 1 . 1 79 79 VAL CA C 13 64.439 0.1 . 1 . . . . . 79 VAL CA . 15587 1 872 . 1 . 1 79 79 VAL CB C 13 31.904 0.1 . 1 . . . . . 79 VAL CB . 15587 1 873 . 1 . 1 79 79 VAL CG1 C 13 22.230 0.01 . 1 . . . . . 79 VAL CG1 . 15587 1 874 . 1 . 1 79 79 VAL CG2 C 13 22.230 0.01 . 1 . . . . . 79 VAL CG2 . 15587 1 875 . 1 . 1 79 79 VAL N N 15 115.536 0.1 . 1 . . . . . 79 VAL N . 15587 1 876 . 1 . 1 80 80 VAL H H 1 7.123 0.01 . 1 . . . . . 80 VAL H . 15587 1 877 . 1 . 1 80 80 VAL HA H 1 4.443 0.01 . 1 . . . . . 80 VAL HA . 15587 1 878 . 1 . 1 80 80 VAL HB H 1 2.511 0.01 . 1 . . . . . 80 VAL HB . 15587 1 879 . 1 . 1 80 80 VAL HG11 H 1 0.671 0.01 . 1 . . . . . 80 VAL HG1 . 15587 1 880 . 1 . 1 80 80 VAL HG12 H 1 0.671 0.01 . 1 . . . . . 80 VAL HG1 . 15587 1 881 . 1 . 1 80 80 VAL HG13 H 1 0.671 0.01 . 1 . . . . . 80 VAL HG1 . 15587 1 882 . 1 . 1 80 80 VAL HG21 H 1 0.671 0.01 . 1 . . . . . 80 VAL HG2 . 15587 1 883 . 1 . 1 80 80 VAL HG22 H 1 0.671 0.01 . 1 . . . . . 80 VAL HG2 . 15587 1 884 . 1 . 1 80 80 VAL HG23 H 1 0.671 0.01 . 1 . . . . . 80 VAL HG2 . 15587 1 885 . 1 . 1 80 80 VAL C C 13 175.020 0.01 . 1 . . . . . 80 VAL C . 15587 1 886 . 1 . 1 80 80 VAL CA C 13 60.286 0.1 . 1 . . . . . 80 VAL CA . 15587 1 887 . 1 . 1 80 80 VAL CB C 13 30.948 0.1 . 1 . . . . . 80 VAL CB . 15587 1 888 . 1 . 1 80 80 VAL CG1 C 13 20.656 0.01 . 1 . . . . . 80 VAL CG1 . 15587 1 889 . 1 . 1 80 80 VAL CG2 C 13 20.656 0.01 . 1 . . . . . 80 VAL CG2 . 15587 1 890 . 1 . 1 80 80 VAL N N 15 109.738 0.01 . 1 . . . . . 80 VAL N . 15587 1 891 . 1 . 1 81 81 GLY H H 1 7.210 0.01 . 1 . . . . . 81 GLY H . 15587 1 892 . 1 . 1 81 81 GLY HA2 H 1 4.511 0.01 . 1 . . . . . 81 GLY HA2 . 15587 1 893 . 1 . 1 81 81 GLY HA3 H 1 3.664 0.01 . 1 . . . . . 81 GLY HA3 . 15587 1 894 . 1 . 1 81 81 GLY C C 13 175.262 0.01 . 1 . . . . . 81 GLY C . 15587 1 895 . 1 . 1 81 81 GLY CA C 13 44.964 0.1 . 1 . . . . . 81 GLY CA . 15587 1 896 . 1 . 1 81 81 GLY N N 15 106.697 0.01 . 1 . . . . . 81 GLY N . 15587 1 897 . 1 . 1 82 82 GLY H H 1 8.673 0.01 . 1 . . . . . 82 GLY H . 15587 1 898 . 1 . 1 82 82 GLY HA2 H 1 4.022 0.01 . 1 . . . . . 82 GLY HA2 . 15587 1 899 . 1 . 1 82 82 GLY HA3 H 1 3.150 0.01 . 1 . . . . . 82 GLY HA3 . 15587 1 900 . 1 . 1 82 82 GLY C C 13 174.547 0.01 . 1 . . . . . 82 GLY C . 15587 1 901 . 1 . 1 82 82 GLY CA C 13 45.151 0.1 . 1 . . . . . 82 GLY CA . 15587 1 902 . 1 . 1 82 82 GLY N N 15 111.931 0.02 . 1 . . . . . 82 GLY N . 15587 1 903 . 1 . 1 83 83 MET H H 1 8.841 0.01 . 1 . . . . . 83 MET H . 15587 1 904 . 1 . 1 83 83 MET HA H 1 4.582 0.01 . 1 . . . . . 83 MET HA . 15587 1 905 . 1 . 1 83 83 MET HB2 H 1 2.015 0.01 . 1 . . . . . 83 MET HB2 . 15587 1 906 . 1 . 1 83 83 MET HB3 H 1 2.015 0.01 . 1 . . . . . 83 MET HB3 . 15587 1 907 . 1 . 1 83 83 MET HG2 H 1 2.096 0.01 . 1 . . . . . 83 MET HG2 . 15587 1 908 . 1 . 1 83 83 MET HG3 H 1 2.576 0.01 . 1 . . . . . 83 MET HG3 . 15587 1 909 . 1 . 1 83 83 MET C C 13 176.001 0.01 . 1 . . . . . 83 MET C . 15587 1 910 . 1 . 1 83 83 MET CA C 13 55.737 0.1 . 1 . . . . . 83 MET CA . 15587 1 911 . 1 . 1 83 83 MET CB C 13 30.273 0.1 . 1 . . . . . 83 MET CB . 15587 1 912 . 1 . 1 83 83 MET CG C 13 32.997 0.01 . 1 . . . . . 83 MET CG . 15587 1 913 . 1 . 1 83 83 MET N N 15 119.840 0.1 . 1 . . . . . 83 MET N . 15587 1 914 . 1 . 1 84 84 ASP H H 1 7.395 0.01 . 1 . . . . . 84 ASP H . 15587 1 915 . 1 . 1 84 84 ASP HA H 1 4.695 0.01 . 1 . . . . . 84 ASP HA . 15587 1 916 . 1 . 1 84 84 ASP HB2 H 1 2.806 0.01 . 1 . . . . . 84 ASP HB2 . 15587 1 917 . 1 . 1 84 84 ASP HB3 H 1 2.550 0.01 . 1 . . . . . 84 ASP HB3 . 15587 1 918 . 1 . 1 84 84 ASP C C 13 176.694 0.01 . 1 . . . . . 84 ASP C . 15587 1 919 . 1 . 1 84 84 ASP CA C 13 54.300 0.1 . 1 . . . . . 84 ASP CA . 15587 1 920 . 1 . 1 84 84 ASP CB C 13 41.551 0.01 . 1 . . . . . 84 ASP CB . 15587 1 921 . 1 . 1 84 84 ASP N N 15 114.478 0.01 . 1 . . . . . 84 ASP N . 15587 1 922 . 1 . 1 85 85 TYR H H 1 7.930 0.01 . 1 . . . . . 85 TYR H . 15587 1 923 . 1 . 1 85 85 TYR HA H 1 4.148 0.01 . 1 . . . . . 85 TYR HA . 15587 1 924 . 1 . 1 85 85 TYR HB2 H 1 3.051 0.01 . 1 . . . . . 85 TYR HB2 . 15587 1 925 . 1 . 1 85 85 TYR HB3 H 1 2.706 0.01 . 1 . . . . . 85 TYR HB3 . 15587 1 926 . 1 . 1 85 85 TYR C C 13 173.845 0.01 . 1 . . . . . 85 TYR C . 15587 1 927 . 1 . 1 85 85 TYR CA C 13 59.520 0.1 . 1 . . . . . 85 TYR CA . 15587 1 928 . 1 . 1 85 85 TYR CB C 13 38.105 0.1 . 1 . . . . . 85 TYR CB . 15587 1 929 . 1 . 1 85 85 TYR N N 15 123.769 0.1 . 1 . . . . . 85 TYR N . 15587 1 930 . 1 . 1 86 86 VAL H H 1 7.755 0.01 . 1 . . . . . 86 VAL H . 15587 1 931 . 1 . 1 86 86 VAL HA H 1 3.402 0.01 . 1 . . . . . 86 VAL HA . 15587 1 932 . 1 . 1 86 86 VAL HB H 1 1.667 0.01 . 1 . . . . . 86 VAL HB . 15587 1 933 . 1 . 1 86 86 VAL HG11 H 1 0.927 0.01 . 1 . . . . . 86 VAL HG1 . 15587 1 934 . 1 . 1 86 86 VAL HG12 H 1 0.927 0.01 . 1 . . . . . 86 VAL HG1 . 15587 1 935 . 1 . 1 86 86 VAL HG13 H 1 0.927 0.01 . 1 . . . . . 86 VAL HG1 . 15587 1 936 . 1 . 1 86 86 VAL HG21 H 1 0.715 0.01 . 1 . . . . . 86 VAL HG2 . 15587 1 937 . 1 . 1 86 86 VAL HG22 H 1 0.715 0.01 . 1 . . . . . 86 VAL HG2 . 15587 1 938 . 1 . 1 86 86 VAL HG23 H 1 0.715 0.01 . 1 . . . . . 86 VAL HG2 . 15587 1 939 . 1 . 1 86 86 VAL C C 13 173.896 0.01 . 1 . . . . . 86 VAL C . 15587 1 940 . 1 . 1 86 86 VAL CA C 13 62.779 0.01 . 1 . . . . . 86 VAL CA . 15587 1 941 . 1 . 1 86 86 VAL CB C 13 31.843 0.1 . 1 . . . . . 86 VAL CB . 15587 1 942 . 1 . 1 86 86 VAL CG1 C 13 22.755 0.01 . 1 . . . . . 86 VAL CG1 . 15587 1 943 . 1 . 1 86 86 VAL CG2 C 13 22.755 0.01 . 1 . . . . . 86 VAL CG2 . 15587 1 944 . 1 . 1 86 86 VAL N N 15 130.130 0.01 . 1 . . . . . 86 VAL N . 15587 1 945 . 1 . 1 87 87 LEU H H 1 7.069 0.01 . 1 . . . . . 87 LEU H . 15587 1 946 . 1 . 1 87 87 LEU HA H 1 3.833 0.01 . 1 . . . . . 87 LEU HA . 15587 1 947 . 1 . 1 87 87 LEU HB2 H 1 1.546 0.01 . 1 . . . . . 87 LEU HB2 . 15587 1 948 . 1 . 1 87 87 LEU HB3 H 1 1.038 0.01 . 1 . . . . . 87 LEU HB3 . 15587 1 949 . 1 . 1 87 87 LEU HD11 H 1 0.823 0.01 . 1 . . . . . 87 LEU HD1 . 15587 1 950 . 1 . 1 87 87 LEU HD12 H 1 0.823 0.01 . 1 . . . . . 87 LEU HD1 . 15587 1 951 . 1 . 1 87 87 LEU HD13 H 1 0.823 0.01 . 1 . . . . . 87 LEU HD1 . 15587 1 952 . 1 . 1 87 87 LEU HD21 H 1 0.823 0.01 . 1 . . . . . 87 LEU HD2 . 15587 1 953 . 1 . 1 87 87 LEU HD22 H 1 0.823 0.01 . 1 . . . . . 87 LEU HD2 . 15587 1 954 . 1 . 1 87 87 LEU HD23 H 1 0.823 0.01 . 1 . . . . . 87 LEU HD2 . 15587 1 955 . 1 . 1 87 87 LEU HG H 1 1.038 0.01 . 1 . . . . . 87 LEU HG . 15587 1 956 . 1 . 1 87 87 LEU C C 13 176.432 0.01 . 1 . . . . . 87 LEU C . 15587 1 957 . 1 . 1 87 87 LEU CA C 13 55.977 0.1 . 1 . . . . . 87 LEU CA . 15587 1 958 . 1 . 1 87 87 LEU CB C 13 42.126 0.1 . 1 . . . . . 87 LEU CB . 15587 1 959 . 1 . 1 87 87 LEU CD1 C 13 24.644 0.01 . 1 . . . . . 87 LEU CD1 . 15587 1 960 . 1 . 1 87 87 LEU CD2 C 13 24.644 0.01 . 1 . . . . . 87 LEU CD2 . 15587 1 961 . 1 . 1 87 87 LEU CG C 13 27.417 0.01 . 1 . . . . . 87 LEU CG . 15587 1 962 . 1 . 1 87 87 LEU N N 15 121.577 0.01 . 1 . . . . . 87 LEU N . 15587 1 963 . 1 . 1 88 88 ASN H H 1 8.705 0.01 . 1 . . . . . 88 ASN H . 15587 1 964 . 1 . 1 88 88 ASN HA H 1 4.717 0.01 . 1 . . . . . 88 ASN HA . 15587 1 965 . 1 . 1 88 88 ASN HB2 H 1 2.753 0.01 . 1 . . . . . 88 ASN HB2 . 15587 1 966 . 1 . 1 88 88 ASN HB3 H 1 2.437 0.01 . 1 . . . . . 88 ASN HB3 . 15587 1 967 . 1 . 1 88 88 ASN C C 13 173.156 0.01 . 1 . . . . . 88 ASN C . 15587 1 968 . 1 . 1 88 88 ASN CA C 13 51.471 0.01 . 1 . . . . . 88 ASN CA . 15587 1 969 . 1 . 1 88 88 ASN CB C 13 41.622 0.1 . 1 . . . . . 88 ASN CB . 15587 1 970 . 1 . 1 88 88 ASN N N 15 120.561 0.01 . 1 . . . . . 88 ASN N . 15587 1 971 . 1 . 1 89 89 ASP H H 1 8.482 0.01 . 1 . . . . . 89 ASP H . 15587 1 972 . 1 . 1 89 89 ASP HA H 1 3.937 0.01 . 1 . . . . . 89 ASP HA . 15587 1 973 . 1 . 1 89 89 ASP HB2 H 1 3.007 0.01 . 1 . . . . . 89 ASP HB2 . 15587 1 974 . 1 . 1 89 89 ASP HB3 H 1 2.681 0.01 . 1 . . . . . 89 ASP HB3 . 15587 1 975 . 1 . 1 89 89 ASP C C 13 178.751 0.01 . 1 . . . . . 89 ASP C . 15587 1 976 . 1 . 1 89 89 ASP CA C 13 56.268 0.1 . 1 . . . . . 89 ASP CA . 15587 1 977 . 1 . 1 89 89 ASP CB C 13 40.380 0.1 . 1 . . . . . 89 ASP CB . 15587 1 978 . 1 . 1 89 89 ASP N N 15 122.084 0.1 . 1 . . . . . 89 ASP N . 15587 1 979 . 1 . 1 90 90 GLY H H 1 9.334 0.01 . 1 . . . . . 90 GLY H . 15587 1 980 . 1 . 1 90 90 GLY HA2 H 1 4.314 0.01 . 1 . . . . . 90 GLY HA2 . 15587 1 981 . 1 . 1 90 90 GLY HA3 H 1 3.619 0.01 . 1 . . . . . 90 GLY HA3 . 15587 1 982 . 1 . 1 90 90 GLY C C 13 174.907 0.01 . 1 . . . . . 90 GLY C . 15587 1 983 . 1 . 1 90 90 GLY CA C 13 45.076 0.1 . 1 . . . . . 90 GLY CA . 15587 1 984 . 1 . 1 90 90 GLY N N 15 117.218 0.01 . 1 . . . . . 90 GLY N . 15587 1 985 . 1 . 1 91 91 ASP H H 1 7.987 0.01 . 1 . . . . . 91 ASP H . 15587 1 986 . 1 . 1 91 91 ASP HA H 1 4.745 0.01 . 1 . . . . . 91 ASP HA . 15587 1 987 . 1 . 1 91 91 ASP HB2 H 1 2.696 0.01 . 1 . . . . . 91 ASP HB2 . 15587 1 988 . 1 . 1 91 91 ASP HB3 H 1 2.297 0.01 . 1 . . . . . 91 ASP HB3 . 15587 1 989 . 1 . 1 91 91 ASP C C 13 175.436 0.01 . 1 . . . . . 91 ASP C . 15587 1 990 . 1 . 1 91 91 ASP CA C 13 55.954 0.1 . 1 . . . . . 91 ASP CA . 15587 1 991 . 1 . 1 91 91 ASP CB C 13 41.876 0.1 . 1 . . . . . 91 ASP CB . 15587 1 992 . 1 . 1 91 91 ASP N N 15 122.336 0.01 . 1 . . . . . 91 ASP N . 15587 1 993 . 1 . 1 92 92 THR H H 1 8.227 0.01 . 1 . . . . . 92 THR H . 15587 1 994 . 1 . 1 92 92 THR HA H 1 5.093 0.01 . 1 . . . . . 92 THR HA . 15587 1 995 . 1 . 1 92 92 THR HB H 1 3.893 0.01 . 1 . . . . . 92 THR HB . 15587 1 996 . 1 . 1 92 92 THR HG21 H 1 0.838 0.01 . 1 . . . . . 92 THR HG2 . 15587 1 997 . 1 . 1 92 92 THR HG22 H 1 0.838 0.01 . 1 . . . . . 92 THR HG2 . 15587 1 998 . 1 . 1 92 92 THR HG23 H 1 0.838 0.01 . 1 . . . . . 92 THR HG2 . 15587 1 999 . 1 . 1 92 92 THR C C 13 173.702 0.01 . 1 . . . . . 92 THR C . 15587 1 1000 . 1 . 1 92 92 THR CA C 13 61.477 0.02 . 1 . . . . . 92 THR CA . 15587 1 1001 . 1 . 1 92 92 THR CB C 13 70.032 0.02 . 1 . . . . . 92 THR CB . 15587 1 1002 . 1 . 1 92 92 THR CG2 C 13 21.319 0.01 . 1 . . . . . 92 THR CG2 . 15587 1 1003 . 1 . 1 92 92 THR N N 15 115.456 0.01 . 1 . . . . . 92 THR N . 15587 1 1004 . 1 . 1 93 93 VAL H H 1 9.039 0.01 . 1 . . . . . 93 VAL H . 15587 1 1005 . 1 . 1 93 93 VAL HA H 1 4.731 0.01 . 1 . . . . . 93 VAL HA . 15587 1 1006 . 1 . 1 93 93 VAL HB H 1 1.678 0.01 . 1 . . . . . 93 VAL HB . 15587 1 1007 . 1 . 1 93 93 VAL HG11 H 1 0.665 0.01 . 1 . . . . . 93 VAL HG1 . 15587 1 1008 . 1 . 1 93 93 VAL HG12 H 1 0.665 0.01 . 1 . . . . . 93 VAL HG1 . 15587 1 1009 . 1 . 1 93 93 VAL HG13 H 1 0.665 0.01 . 1 . . . . . 93 VAL HG1 . 15587 1 1010 . 1 . 1 93 93 VAL HG21 H 1 0.665 0.01 . 1 . . . . . 93 VAL HG2 . 15587 1 1011 . 1 . 1 93 93 VAL HG22 H 1 0.665 0.01 . 1 . . . . . 93 VAL HG2 . 15587 1 1012 . 1 . 1 93 93 VAL HG23 H 1 0.665 0.01 . 1 . . . . . 93 VAL HG2 . 15587 1 1013 . 1 . 1 93 93 VAL C C 13 173.391 0.01 . 1 . . . . . 93 VAL C . 15587 1 1014 . 1 . 1 93 93 VAL CA C 13 59.984 0.01 . 1 . . . . . 93 VAL CA . 15587 1 1015 . 1 . 1 93 93 VAL CB C 13 33.978 0.1 . 1 . . . . . 93 VAL CB . 15587 1 1016 . 1 . 1 93 93 VAL CG1 C 13 23.139 0.01 . 1 . . . . . 93 VAL CG1 . 15587 1 1017 . 1 . 1 93 93 VAL CG2 C 13 23.139 0.01 . 1 . . . . . 93 VAL CG2 . 15587 1 1018 . 1 . 1 93 93 VAL N N 15 129.109 0.1 . 1 . . . . . 93 VAL N . 15587 1 1019 . 1 . 1 94 94 GLU H H 1 9.012 0.01 . 1 . . . . . 94 GLU H . 15587 1 1020 . 1 . 1 94 94 GLU HA H 1 4.941 0.01 . 1 . . . . . 94 GLU HA . 15587 1 1021 . 1 . 1 94 94 GLU HB2 H 1 1.735 0.01 . 1 . . . . . 94 GLU HB2 . 15587 1 1022 . 1 . 1 94 94 GLU HB3 H 1 1.510 0.01 . 1 . . . . . 94 GLU HB3 . 15587 1 1023 . 1 . 1 94 94 GLU HG2 H 1 1.878 0.01 . 1 . . . . . 94 GLU HG2 . 15587 1 1024 . 1 . 1 94 94 GLU HG3 H 1 1.878 0.01 . 1 . . . . . 94 GLU HG3 . 15587 1 1025 . 1 . 1 94 94 GLU C C 13 173.669 0.01 . 1 . . . . . 94 GLU C . 15587 1 1026 . 1 . 1 94 94 GLU CA C 13 53.577 0.01 . 1 . . . . . 94 GLU CA . 15587 1 1027 . 1 . 1 94 94 GLU CB C 13 32.853 0.1 . 1 . . . . . 94 GLU CB . 15587 1 1028 . 1 . 1 94 94 GLU CG C 13 36.142 0.01 . 1 . . . . . 94 GLU CG . 15587 1 1029 . 1 . 1 94 94 GLU N N 15 126.881 0.01 . 1 . . . . . 94 GLU N . 15587 1 1030 . 1 . 1 95 95 PHE H H 1 9.012 0.01 . 1 . . . . . 95 PHE H . 15587 1 1031 . 1 . 1 95 95 PHE HA H 1 4.941 0.01 . 1 . . . . . 95 PHE HA . 15587 1 1032 . 1 . 1 95 95 PHE HB2 H 1 3.261 0.01 . 1 . . . . . 95 PHE HB2 . 15587 1 1033 . 1 . 1 95 95 PHE HB3 H 1 2.983 0.01 . 1 . . . . . 95 PHE HB3 . 15587 1 1034 . 1 . 1 95 95 PHE C C 13 174.687 0.01 . 1 . . . . . 95 PHE C . 15587 1 1035 . 1 . 1 95 95 PHE CA C 13 56.843 0.1 . 1 . . . . . 95 PHE CA . 15587 1 1036 . 1 . 1 95 95 PHE CB C 13 40.889 0.1 . 1 . . . . . 95 PHE CB . 15587 1 1037 . 1 . 1 95 95 PHE N N 15 122.718 0.01 . 1 . . . . . 95 PHE N . 15587 1 1038 . 1 . 1 96 96 ILE H H 1 9.292 0.01 . 1 . . . . . 96 ILE H . 15587 1 1039 . 1 . 1 96 96 ILE HA H 1 4.573 0.01 . 1 . . . . . 96 ILE HA . 15587 1 1040 . 1 . 1 96 96 ILE HB H 1 1.701 0.01 . 1 . . . . . 96 ILE HB . 15587 1 1041 . 1 . 1 96 96 ILE HD11 H 1 0.699 0.01 . 1 . . . . . 96 ILE HD1 . 15587 1 1042 . 1 . 1 96 96 ILE HD12 H 1 0.699 0.01 . 1 . . . . . 96 ILE HD1 . 15587 1 1043 . 1 . 1 96 96 ILE HD13 H 1 0.699 0.01 . 1 . . . . . 96 ILE HD1 . 15587 1 1044 . 1 . 1 96 96 ILE HG12 H 1 1.287 0.01 . 1 . . . . . 96 ILE HG12 . 15587 1 1045 . 1 . 1 96 96 ILE HG13 H 1 1.287 0.01 . 1 . . . . . 96 ILE HG13 . 15587 1 1046 . 1 . 1 96 96 ILE HG21 H 1 0.875 0.01 . 1 . . . . . 96 ILE HG2 . 15587 1 1047 . 1 . 1 96 96 ILE HG22 H 1 0.875 0.01 . 1 . . . . . 96 ILE HG2 . 15587 1 1048 . 1 . 1 96 96 ILE HG23 H 1 0.875 0.01 . 1 . . . . . 96 ILE HG2 . 15587 1 1049 . 1 . 1 96 96 ILE C C 13 175.897 0.01 . 1 . . . . . 96 ILE C . 15587 1 1050 . 1 . 1 96 96 ILE CA C 13 59.748 0.1 . 1 . . . . . 96 ILE CA . 15587 1 1051 . 1 . 1 96 96 ILE CB C 13 40.938 0.1 . 1 . . . . . 96 ILE CB . 15587 1 1052 . 1 . 1 96 96 ILE CD1 C 13 13.570 0.01 . 1 . . . . . 96 ILE CD1 . 15587 1 1053 . 1 . 1 96 96 ILE CG1 C 13 27.717 0.01 . 1 . . . . . 96 ILE CG1 . 15587 1 1054 . 1 . 1 96 96 ILE CG2 C 13 17.738 0.01 . 1 . . . . . 96 ILE CG2 . 15587 1 1055 . 1 . 1 96 96 ILE N N 15 123.112 0.01 . 1 . . . . . 96 ILE N . 15587 1 1056 . 1 . 1 97 97 SER H H 1 8.245 0.01 . 1 . . . . . 97 SER H . 15587 1 1057 . 1 . 1 97 97 SER HA H 1 4.800 0.01 . 1 . . . . . 97 SER HA . 15587 1 1058 . 1 . 1 97 97 SER HB2 H 1 3.928 0.01 . 1 . . . . . 97 SER HB2 . 15587 1 1059 . 1 . 1 97 97 SER HB3 H 1 3.928 0.01 . 1 . . . . . 97 SER HB3 . 15587 1 1060 . 1 . 1 97 97 SER C C 13 175.130 0.01 . 1 . . . . . 97 SER C . 15587 1 1061 . 1 . 1 97 97 SER CA C 13 58.154 0.01 . 1 . . . . . 97 SER CA . 15587 1 1062 . 1 . 1 97 97 SER CB C 13 63.137 0.1 . 1 . . . . . 97 SER CB . 15587 1 1063 . 1 . 1 97 97 SER N N 15 121.343 0.1 . 1 . . . . . 97 SER N . 15587 1 1064 . 1 . 1 98 98 THR H H 1 8.181 0.01 . 1 . . . . . 98 THR H . 15587 1 1065 . 1 . 1 98 98 THR HA H 1 4.549 0.01 . 1 . . . . . 98 THR HA . 15587 1 1066 . 1 . 1 98 98 THR HB H 1 4.374 0.01 . 1 . . . . . 98 THR HB . 15587 1 1067 . 1 . 1 98 98 THR HG21 H 1 1.167 0.01 . 1 . . . . . 98 THR HG2 . 15587 1 1068 . 1 . 1 98 98 THR HG22 H 1 1.167 0.01 . 1 . . . . . 98 THR HG2 . 15587 1 1069 . 1 . 1 98 98 THR HG23 H 1 1.167 0.01 . 1 . . . . . 98 THR HG2 . 15587 1 1070 . 1 . 1 98 98 THR C C 13 174.729 0.01 . 1 . . . . . 98 THR C . 15587 1 1071 . 1 . 1 98 98 THR CA C 13 61.603 0.1 . 1 . . . . . 98 THR CA . 15587 1 1072 . 1 . 1 98 98 THR CB C 13 69.890 0.1 . 1 . . . . . 98 THR CB . 15587 1 1073 . 1 . 1 98 98 THR CG2 C 13 21.941 0.01 . 1 . . . . . 98 THR CG2 . 15587 1 1074 . 1 . 1 98 98 THR N N 15 116.451 0.01 . 1 . . . . . 98 THR N . 15587 1 1075 . 1 . 1 99 99 LEU H H 1 8.033 0.01 . 1 . . . . . 99 LEU H . 15587 1 1076 . 1 . 1 99 99 LEU HA H 1 4.234 0.01 . 1 . . . . . 99 LEU HA . 15587 1 1077 . 1 . 1 99 99 LEU HB2 H 1 1.495 0.01 . 1 . . . . . 99 LEU HB2 . 15587 1 1078 . 1 . 1 99 99 LEU HB3 H 1 1.495 0.01 . 1 . . . . . 99 LEU HB3 . 15587 1 1079 . 1 . 1 99 99 LEU HD11 H 1 0.821 0.01 . 1 . . . . . 99 LEU HD1 . 15587 1 1080 . 1 . 1 99 99 LEU HD12 H 1 0.821 0.01 . 1 . . . . . 99 LEU HD1 . 15587 1 1081 . 1 . 1 99 99 LEU HD13 H 1 0.821 0.01 . 1 . . . . . 99 LEU HD1 . 15587 1 1082 . 1 . 1 99 99 LEU HD21 H 1 0.821 0.01 . 1 . . . . . 99 LEU HD2 . 15587 1 1083 . 1 . 1 99 99 LEU HD22 H 1 0.821 0.01 . 1 . . . . . 99 LEU HD2 . 15587 1 1084 . 1 . 1 99 99 LEU HD23 H 1 0.821 0.01 . 1 . . . . . 99 LEU HD2 . 15587 1 1085 . 1 . 1 99 99 LEU HG H 1 1.495 0.01 . 1 . . . . . 99 LEU HG . 15587 1 1086 . 1 . 1 99 99 LEU C C 13 177.349 0.01 . 1 . . . . . 99 LEU C . 15587 1 1087 . 1 . 1 99 99 LEU CA C 13 55.517 0.1 . 1 . . . . . 99 LEU CA . 15587 1 1088 . 1 . 1 99 99 LEU CB C 13 41.996 0.1 . 1 . . . . . 99 LEU CB . 15587 1 1089 . 1 . 1 99 99 LEU CD1 C 13 24.740 0.01 . 1 . . . . . 99 LEU CD1 . 15587 1 1090 . 1 . 1 99 99 LEU CD2 C 13 24.740 0.01 . 1 . . . . . 99 LEU CD2 . 15587 1 1091 . 1 . 1 99 99 LEU CG C 13 27.079 0.01 . 1 . . . . . 99 LEU CG . 15587 1 1092 . 1 . 1 99 99 LEU N N 15 122.869 0.1 . 1 . . . . . 99 LEU N . 15587 1 1093 . 1 . 1 100 100 HIS H H 1 8.558 0.01 . 1 . . . . . 100 HIS H . 15587 1 1094 . 1 . 1 100 100 HIS HA H 1 4.460 0.01 . 1 . . . . . 100 HIS HA . 15587 1 1095 . 1 . 1 100 100 HIS HB2 H 1 3.131 0.01 . 1 . . . . . 100 HIS HB2 . 15587 1 1096 . 1 . 1 100 100 HIS HB3 H 1 3.131 0.01 . 1 . . . . . 100 HIS HB3 . 15587 1 1097 . 1 . 1 100 100 HIS C C 13 175.718 0.01 . 1 . . . . . 100 HIS C . 15587 1 1098 . 1 . 1 100 100 HIS CA C 13 56.096 0.1 . 1 . . . . . 100 HIS CA . 15587 1 1099 . 1 . 1 100 100 HIS CB C 13 29.709 0.1 . 1 . . . . . 100 HIS CB . 15587 1 1100 . 1 . 1 100 100 HIS N N 15 120.437 0.1 . 1 . . . . . 100 HIS N . 15587 1 1101 . 1 . 1 101 101 GLY H H 1 8.477 0.1 . 1 . . . . . 101 GLY H . 15587 1 1102 . 1 . 1 101 101 GLY HA2 H 1 3.888 0.01 . 1 . . . . . 101 GLY HA2 . 15587 1 1103 . 1 . 1 101 101 GLY HA3 H 1 3.888 0.01 . 1 . . . . . 101 GLY HA3 . 15587 1 1104 . 1 . 1 101 101 GLY C C 13 174.614 0.01 . 1 . . . . . 101 GLY C . 15587 1 1105 . 1 . 1 101 101 GLY CA C 13 45.529 0.1 . 1 . . . . . 101 GLY CA . 15587 1 1106 . 1 . 1 101 101 GLY N N 15 110.340 0.01 . 1 . . . . . 101 GLY N . 15587 1 1107 . 1 . 1 102 102 GLY H H 1 8.222 0.01 . 1 . . . . . 102 GLY H . 15587 1 1108 . 1 . 1 102 102 GLY HA2 H 1 3.951 0.01 . 1 . . . . . 102 GLY HA2 . 15587 1 1109 . 1 . 1 102 102 GLY HA3 H 1 3.951 0.01 . 1 . . . . . 102 GLY HA3 . 15587 1 1110 . 1 . 1 102 102 GLY C C 13 174.070 0.01 . 1 . . . . . 102 GLY C . 15587 1 1111 . 1 . 1 102 102 GLY CA C 13 45.197 0.1 . 1 . . . . . 102 GLY CA . 15587 1 1112 . 1 . 1 102 102 GLY N N 15 108.637 0.1 . 1 . . . . . 102 GLY N . 15587 1 stop_ save_