data_26593 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26593 _Entry.Title ; Human Obscurin Ig59 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-06-25 _Entry.Accession_date 2015-06-25 _Entry.Last_release_date 2016-07-11 _Entry.Original_release_date 2016-07-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Tracy Caldwell . A. . . 26593 2 Nathan Wright . T. . . 26593 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26593 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 356 26593 '15N chemical shifts' 94 26593 '1H chemical shifts' 556 26593 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-07-11 . original BMRB . 26593 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26593 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution Structure of Ig59 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Tracy Caldwell . A. . . 26593 1 2 Nathan Wright . T. . . 26593 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26593 _Assembly.ID 1 _Assembly.Name 'Obscurin Ig59' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Obscurin Ig59' 1 $Obscurin_Ig59 A . yes native no no . . . 26593 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'cytoskeletal protein' 26593 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Obscurin_Ig59 _Entity.Sf_category entity _Entity.Sf_framecode Obscurin_Ig59 _Entity.Entry_ID 26593 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Obscurin_Ig59 _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 ; WRLEILELLKNAAVRAGAQA RFTCTLSEAVPVGEASWYIN GAAVQPDDSDWTVTADGSHQ ALLLRSAQPHHAGEVTFACR DAVASARLTVLGLPDGLEHH HHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 99-104 represent a non-native His-tag' _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 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment Ig59 _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'cytoskeletal protein' 26593 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 TRP . 26593 1 2 2 ARG . 26593 1 3 3 LEU . 26593 1 4 4 GLU . 26593 1 5 5 ILE . 26593 1 6 6 LEU . 26593 1 7 7 GLU . 26593 1 8 8 LEU . 26593 1 9 9 LEU . 26593 1 10 10 LYS . 26593 1 11 11 ASN . 26593 1 12 12 ALA . 26593 1 13 13 ALA . 26593 1 14 14 VAL . 26593 1 15 15 ARG . 26593 1 16 16 ALA . 26593 1 17 17 GLY . 26593 1 18 18 ALA . 26593 1 19 19 GLN . 26593 1 20 20 ALA . 26593 1 21 21 ARG . 26593 1 22 22 PHE . 26593 1 23 23 THR . 26593 1 24 24 CYS . 26593 1 25 25 THR . 26593 1 26 26 LEU . 26593 1 27 27 SER . 26593 1 28 28 GLU . 26593 1 29 29 ALA . 26593 1 30 30 VAL . 26593 1 31 31 PRO . 26593 1 32 32 VAL . 26593 1 33 33 GLY . 26593 1 34 34 GLU . 26593 1 35 35 ALA . 26593 1 36 36 SER . 26593 1 37 37 TRP . 26593 1 38 38 TYR . 26593 1 39 39 ILE . 26593 1 40 40 ASN . 26593 1 41 41 GLY . 26593 1 42 42 ALA . 26593 1 43 43 ALA . 26593 1 44 44 VAL . 26593 1 45 45 GLN . 26593 1 46 46 PRO . 26593 1 47 47 ASP . 26593 1 48 48 ASP . 26593 1 49 49 SER . 26593 1 50 50 ASP . 26593 1 51 51 TRP . 26593 1 52 52 THR . 26593 1 53 53 VAL . 26593 1 54 54 THR . 26593 1 55 55 ALA . 26593 1 56 56 ASP . 26593 1 57 57 GLY . 26593 1 58 58 SER . 26593 1 59 59 HIS . 26593 1 60 60 GLN . 26593 1 61 61 ALA . 26593 1 62 62 LEU . 26593 1 63 63 LEU . 26593 1 64 64 LEU . 26593 1 65 65 ARG . 26593 1 66 66 SER . 26593 1 67 67 ALA . 26593 1 68 68 GLN . 26593 1 69 69 PRO . 26593 1 70 70 HIS . 26593 1 71 71 HIS . 26593 1 72 72 ALA . 26593 1 73 73 GLY . 26593 1 74 74 GLU . 26593 1 75 75 VAL . 26593 1 76 76 THR . 26593 1 77 77 PHE . 26593 1 78 78 ALA . 26593 1 79 79 CYS . 26593 1 80 80 ARG . 26593 1 81 81 ASP . 26593 1 82 82 ALA . 26593 1 83 83 VAL . 26593 1 84 84 ALA . 26593 1 85 85 SER . 26593 1 86 86 ALA . 26593 1 87 87 ARG . 26593 1 88 88 LEU . 26593 1 89 89 THR . 26593 1 90 90 VAL . 26593 1 91 91 LEU . 26593 1 92 92 GLY . 26593 1 93 93 LEU . 26593 1 94 94 PRO . 26593 1 95 95 ASP . 26593 1 96 96 GLY . 26593 1 97 97 LEU . 26593 1 98 98 GLU . 26593 1 99 99 HIS . 26593 1 100 100 HIS . 26593 1 101 101 HIS . 26593 1 102 102 HIS . 26593 1 103 103 HIS . 26593 1 104 104 HIS . 26593 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 . TRP 1 1 26593 1 . ARG 2 2 26593 1 . LEU 3 3 26593 1 . GLU 4 4 26593 1 . ILE 5 5 26593 1 . LEU 6 6 26593 1 . GLU 7 7 26593 1 . LEU 8 8 26593 1 . LEU 9 9 26593 1 . LYS 10 10 26593 1 . ASN 11 11 26593 1 . ALA 12 12 26593 1 . ALA 13 13 26593 1 . VAL 14 14 26593 1 . ARG 15 15 26593 1 . ALA 16 16 26593 1 . GLY 17 17 26593 1 . ALA 18 18 26593 1 . GLN 19 19 26593 1 . ALA 20 20 26593 1 . ARG 21 21 26593 1 . PHE 22 22 26593 1 . THR 23 23 26593 1 . CYS 24 24 26593 1 . THR 25 25 26593 1 . LEU 26 26 26593 1 . SER 27 27 26593 1 . GLU 28 28 26593 1 . ALA 29 29 26593 1 . VAL 30 30 26593 1 . PRO 31 31 26593 1 . VAL 32 32 26593 1 . GLY 33 33 26593 1 . GLU 34 34 26593 1 . ALA 35 35 26593 1 . SER 36 36 26593 1 . TRP 37 37 26593 1 . TYR 38 38 26593 1 . ILE 39 39 26593 1 . ASN 40 40 26593 1 . GLY 41 41 26593 1 . ALA 42 42 26593 1 . ALA 43 43 26593 1 . VAL 44 44 26593 1 . GLN 45 45 26593 1 . PRO 46 46 26593 1 . ASP 47 47 26593 1 . ASP 48 48 26593 1 . SER 49 49 26593 1 . ASP 50 50 26593 1 . TRP 51 51 26593 1 . THR 52 52 26593 1 . VAL 53 53 26593 1 . THR 54 54 26593 1 . ALA 55 55 26593 1 . ASP 56 56 26593 1 . GLY 57 57 26593 1 . SER 58 58 26593 1 . HIS 59 59 26593 1 . GLN 60 60 26593 1 . ALA 61 61 26593 1 . LEU 62 62 26593 1 . LEU 63 63 26593 1 . LEU 64 64 26593 1 . ARG 65 65 26593 1 . SER 66 66 26593 1 . ALA 67 67 26593 1 . GLN 68 68 26593 1 . PRO 69 69 26593 1 . HIS 70 70 26593 1 . HIS 71 71 26593 1 . ALA 72 72 26593 1 . GLY 73 73 26593 1 . GLU 74 74 26593 1 . VAL 75 75 26593 1 . THR 76 76 26593 1 . PHE 77 77 26593 1 . ALA 78 78 26593 1 . CYS 79 79 26593 1 . ARG 80 80 26593 1 . ASP 81 81 26593 1 . ALA 82 82 26593 1 . VAL 83 83 26593 1 . ALA 84 84 26593 1 . SER 85 85 26593 1 . ALA 86 86 26593 1 . ARG 87 87 26593 1 . LEU 88 88 26593 1 . THR 89 89 26593 1 . VAL 90 90 26593 1 . LEU 91 91 26593 1 . GLY 92 92 26593 1 . LEU 93 93 26593 1 . PRO 94 94 26593 1 . ASP 95 95 26593 1 . GLY 96 96 26593 1 . LEU 97 97 26593 1 . GLU 98 98 26593 1 . HIS 99 99 26593 1 . HIS 100 100 26593 1 . HIS 101 101 26593 1 . HIS 102 102 26593 1 . HIS 103 103 26593 1 . HIS 104 104 26593 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 26593 _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 $Obscurin_Ig59 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26593 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 26593 _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 $Obscurin_Ig59 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pet24A . . . 26593 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Ig59 _Sample.Sf_category sample _Sample.Sf_framecode Ig59 _Sample.Entry_ID 26593 _Sample.ID 1 _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 'Obscurin Ig59' '[U-100% 13C; U-100% 15N]' . . 1 $Obscurin_Ig59 . . 1 . . mM . . . . 26593 1 2 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 26593 1 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 26593 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 26593 1 5 'sodium azide' 'natural abundance' . . . . . . 350 . . uM . . . . 26593 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26593 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 26593 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 26593 1 pH 7.5 . pH 26593 1 pressure 1 . atm 26593 1 temperature 273 . K 26593 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26593 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26593 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26593 1 'data analysis' 26593 1 'peak picking' 26593 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 26593 _Software.ID 2 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26593 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26593 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26593 _Software.ID 3 _Software.Name TOPSPIN _Software.Version '600 MHz' _Software.Details 'TXI probe' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26593 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26593 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26593 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'TXI probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 26593 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 'TXI probe' . . 26593 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 26593 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $Ig59 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26593 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $Ig59 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26593 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $Ig59 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26593 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $Ig59 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26593 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $Ig59 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26593 1 6 '3D HNCO' no . . . . . . . . . . 1 $Ig59 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26593 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $Ig59 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26593 1 8 '3D HNCACB' no . . . . . . . . . . 1 $Ig59 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26593 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $Ig59 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26593 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 26593 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.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 external indirect .251449527 . . . . . 26593 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 26593 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect .101329118 . . . . . 26593 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 26593 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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' . . . 26593 1 2 '2D 1H-1H TOCSY' . . . 26593 1 3 '3D CBCA(CO)NH' . . . 26593 1 4 '3D C(CO)NH' . . . 26593 1 6 '3D HNCO' . . . 26593 1 7 '3D HN(CO)CA' . . . 26593 1 8 '3D HNCACB' . . . 26593 1 9 '3D H(CCO)NH' . . . 26593 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 26593 1 2 $NMRDraw . . 26593 1 3 $TOPSPIN . . 26593 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 TRP H H 1 7.302 0.01 . 1 . . . . 1 TRP H . 26593 1 2 . 1 1 1 1 TRP HA H 1 4.614 0.01 . 1 . . . . 1 TRP HA . 26593 1 3 . 1 1 1 1 TRP HB2 H 1 3.3 0.01 . 2 . . . . 1 TRP HB2 . 26593 1 4 . 1 1 1 1 TRP HB3 H 1 2.9 0.01 . 2 . . . . 1 TRP HB3 . 26593 1 5 . 1 1 1 1 TRP CA C 13 57.66 0.1 . 1 . . . . 1 TRP CA . 26593 1 6 . 1 1 1 1 TRP CB C 13 29.23 0.1 . 1 . . . . 1 TRP CB . 26593 1 7 . 1 1 1 1 TRP N N 15 109.8 0.1 . 1 . . . . 1 TRP N . 26593 1 8 . 1 1 2 2 ARG HA H 1 4.4 0.01 . 1 . . . . 2 ARG HA . 26593 1 9 . 1 1 2 2 ARG HB2 H 1 1.93 0.01 . 2 . . . . 2 ARG HB2 . 26593 1 10 . 1 1 2 2 ARG C C 13 176.5 0.1 . 1 . . . . 2 ARG C . 26593 1 11 . 1 1 2 2 ARG CA C 13 52.9 0.1 . 1 . . . . 2 ARG CA . 26593 1 12 . 1 1 2 2 ARG CB C 13 31.8 0.1 . 1 . . . . 2 ARG CB . 26593 1 13 . 1 1 2 2 ARG CG C 13 27.9 0.1 . 1 . . . . 2 ARG CG . 26593 1 14 . 1 1 2 2 ARG CD C 13 45.1 0.1 . 1 . . . . 2 ARG CD . 26593 1 15 . 1 1 3 3 LEU H H 1 8.272 0.01 . 1 . . . . 3 LEU H . 26593 1 16 . 1 1 3 3 LEU HA H 1 4.45 0.01 . 1 . . . . 3 LEU HA . 26593 1 17 . 1 1 3 3 LEU HB2 H 1 1.53 0.01 . 2 . . . . 3 LEU HB2 . 26593 1 18 . 1 1 3 3 LEU HB3 H 1 1.53 0.01 . 2 . . . . 3 LEU HB3 . 26593 1 19 . 1 1 3 3 LEU HG H 1 1.5 0.01 . 1 . . . . 3 LEU HG . 26593 1 20 . 1 1 3 3 LEU HD11 H 1 0.85 0.01 . 2 . . . . 3 LEU MD1 . 26593 1 21 . 1 1 3 3 LEU HD12 H 1 0.85 0.01 . 2 . . . . 3 LEU MD1 . 26593 1 22 . 1 1 3 3 LEU HD13 H 1 0.85 0.01 . 2 . . . . 3 LEU MD1 . 26593 1 23 . 1 1 3 3 LEU HD21 H 1 0.85 0.01 . 2 . . . . 3 LEU MD2 . 26593 1 24 . 1 1 3 3 LEU HD22 H 1 0.85 0.01 . 2 . . . . 3 LEU MD2 . 26593 1 25 . 1 1 3 3 LEU HD23 H 1 0.85 0.01 . 2 . . . . 3 LEU MD2 . 26593 1 26 . 1 1 3 3 LEU C C 13 177.5 0.1 . 1 . . . . 3 LEU C . 26593 1 27 . 1 1 3 3 LEU CA C 13 52.99 0.1 . 1 . . . . 3 LEU CA . 26593 1 28 . 1 1 3 3 LEU CB C 13 41.63 0.1 . 1 . . . . 3 LEU CB . 26593 1 29 . 1 1 3 3 LEU CG C 13 26.79 0.1 . 1 . . . . 3 LEU CG . 26593 1 30 . 1 1 3 3 LEU CD1 C 13 24.9 0.1 . 2 . . . . 3 LEU CD1 . 26593 1 31 . 1 1 3 3 LEU CD2 C 13 23.23 0.1 . 2 . . . . 3 LEU CD2 . 26593 1 32 . 1 1 3 3 LEU N N 15 119.7 0.1 . 1 . . . . 3 LEU N . 26593 1 33 . 1 1 4 4 GLU H H 1 8.438 0.01 . 1 . . . . 4 GLU H . 26593 1 34 . 1 1 4 4 GLU HA H 1 3.903 0.01 . 1 . . . . 4 GLU HA . 26593 1 35 . 1 1 4 4 GLU HB2 H 1 1.94 0.01 . 2 . . . . 4 GLU HB2 . 26593 1 36 . 1 1 4 4 GLU HB3 H 1 1.94 0.01 . 2 . . . . 4 GLU HB3 . 26593 1 37 . 1 1 4 4 GLU HG2 H 1 2.18 0.01 . 2 . . . . 4 GLU HG2 . 26593 1 38 . 1 1 4 4 GLU HG3 H 1 2.18 0.01 . 2 . . . . 4 GLU HG3 . 26593 1 39 . 1 1 4 4 GLU C C 13 177.1 0.1 . 1 . . . . 4 GLU C . 26593 1 40 . 1 1 4 4 GLU CA C 13 65.23 0.1 . 1 . . . . 4 GLU CA . 26593 1 41 . 1 1 4 4 GLU CB C 13 29.86 0.1 . 1 . . . . 4 GLU CB . 26593 1 42 . 1 1 4 4 GLU CG C 13 36.02 0.1 . 1 . . . . 4 GLU CG . 26593 1 43 . 1 1 4 4 GLU N N 15 122.1 0.1 . 1 . . . . 4 GLU N . 26593 1 44 . 1 1 5 5 ILE H H 1 8.798 0.01 . 1 . . . . 5 ILE H . 26593 1 45 . 1 1 5 5 ILE HA H 1 4.188 0.01 . 1 . . . . 5 ILE HA . 26593 1 46 . 1 1 5 5 ILE HB H 1 1.776 0.01 . 1 . . . . 5 ILE HB . 26593 1 47 . 1 1 5 5 ILE HG12 H 1 1.212 0.01 . 2 . . . . 5 ILE HG12 . 26593 1 48 . 1 1 5 5 ILE HG13 H 1 1.212 0.01 . 2 . . . . 5 ILE HG13 . 26593 1 49 . 1 1 5 5 ILE HG21 H 1 0.74 0.01 . 1 . . . . 5 ILE MG . 26593 1 50 . 1 1 5 5 ILE HG22 H 1 0.74 0.01 . 1 . . . . 5 ILE MG . 26593 1 51 . 1 1 5 5 ILE HG23 H 1 0.74 0.01 . 1 . . . . 5 ILE MG . 26593 1 52 . 1 1 5 5 ILE HD11 H 1 0.74 0.01 . 1 . . . . 5 ILE MD . 26593 1 53 . 1 1 5 5 ILE HD12 H 1 0.74 0.01 . 1 . . . . 5 ILE MD . 26593 1 54 . 1 1 5 5 ILE HD13 H 1 0.74 0.01 . 1 . . . . 5 ILE MD . 26593 1 55 . 1 1 5 5 ILE C C 13 175 0.1 . 1 . . . . 5 ILE C . 26593 1 56 . 1 1 5 5 ILE CA C 13 61.76 0.1 . 1 . . . . 5 ILE CA . 26593 1 57 . 1 1 5 5 ILE CB C 13 37.16 0.1 . 1 . . . . 5 ILE CB . 26593 1 58 . 1 1 5 5 ILE CG1 C 13 27.12 0.1 . 1 . . . . 5 ILE CG1 . 26593 1 59 . 1 1 5 5 ILE CG2 C 13 19.24 0.1 . 1 . . . . 5 ILE CG2 . 26593 1 60 . 1 1 5 5 ILE CD1 C 13 13.69 0.1 . 1 . . . . 5 ILE CD1 . 26593 1 61 . 1 1 5 5 ILE N N 15 122.1 0.1 . 1 . . . . 5 ILE N . 26593 1 62 . 1 1 6 6 LEU H H 1 8.575 0.01 . 1 . . . . 6 LEU H . 26593 1 63 . 1 1 6 6 LEU HA H 1 4.289 0.01 . 1 . . . . 6 LEU HA . 26593 1 64 . 1 1 6 6 LEU HB2 H 1 1.342 0.01 . 2 . . . . 6 LEU HB2 . 26593 1 65 . 1 1 6 6 LEU HB3 H 1 1.342 0.01 . 2 . . . . 6 LEU HB3 . 26593 1 66 . 1 1 6 6 LEU HG H 1 1.342 0.01 . 1 . . . . 6 LEU HG . 26593 1 67 . 1 1 6 6 LEU HD11 H 1 0.75 0.01 . 2 . . . . 6 LEU MD1 . 26593 1 68 . 1 1 6 6 LEU HD12 H 1 0.75 0.01 . 2 . . . . 6 LEU MD1 . 26593 1 69 . 1 1 6 6 LEU HD13 H 1 0.75 0.01 . 2 . . . . 6 LEU MD1 . 26593 1 70 . 1 1 6 6 LEU HD21 H 1 0.75 0.01 . 2 . . . . 6 LEU MD2 . 26593 1 71 . 1 1 6 6 LEU HD22 H 1 0.75 0.01 . 2 . . . . 6 LEU MD2 . 26593 1 72 . 1 1 6 6 LEU HD23 H 1 0.75 0.01 . 2 . . . . 6 LEU MD2 . 26593 1 73 . 1 1 6 6 LEU C C 13 177.1 0.1 . 1 . . . . 6 LEU C . 26593 1 74 . 1 1 6 6 LEU CA C 13 56.13 0.1 . 1 . . . . 6 LEU CA . 26593 1 75 . 1 1 6 6 LEU CB C 13 42.67 0.1 . 1 . . . . 6 LEU CB . 26593 1 76 . 1 1 6 6 LEU CG C 13 27.02 0.1 . 1 . . . . 6 LEU CG . 26593 1 77 . 1 1 6 6 LEU CD1 C 13 25.76 0.1 . 2 . . . . 6 LEU CD1 . 26593 1 78 . 1 1 6 6 LEU CD2 C 13 21.97 0.1 . 2 . . . . 6 LEU CD2 . 26593 1 79 . 1 1 6 6 LEU N N 15 127.7 0.1 . 1 . . . . 6 LEU N . 26593 1 80 . 1 1 7 7 GLU H H 1 7.353 0.01 . 1 . . . . 7 GLU H . 26593 1 81 . 1 1 7 7 GLU HA H 1 4.641 0.01 . 1 . . . . 7 GLU HA . 26593 1 82 . 1 1 7 7 GLU HB2 H 1 1.889 0.01 . 2 . . . . 7 GLU HB2 . 26593 1 83 . 1 1 7 7 GLU HB3 H 1 1.889 0.01 . 2 . . . . 7 GLU HB3 . 26593 1 84 . 1 1 7 7 GLU HG2 H 1 2.183 0.01 . 2 . . . . 7 GLU HG2 . 26593 1 85 . 1 1 7 7 GLU HG3 H 1 2.183 0.01 . 2 . . . . 7 GLU HG3 . 26593 1 86 . 1 1 7 7 GLU C C 13 174.3 0.1 . 1 . . . . 7 GLU C . 26593 1 87 . 1 1 7 7 GLU CA C 13 55.43 0.1 . 1 . . . . 7 GLU CA . 26593 1 88 . 1 1 7 7 GLU CB C 13 32.07 0.1 . 1 . . . . 7 GLU CB . 26593 1 89 . 1 1 7 7 GLU CG C 13 35.64 0.1 . 1 . . . . 7 GLU CG . 26593 1 90 . 1 1 7 7 GLU N N 15 118.5 0.1 . 1 . . . . 7 GLU N . 26593 1 91 . 1 1 8 8 LEU H H 1 8.357 0.01 . 1 . . . . 8 LEU H . 26593 1 92 . 1 1 8 8 LEU HA H 1 4.052 0.01 . 1 . . . . 8 LEU HA . 26593 1 93 . 1 1 8 8 LEU HB2 H 1 1.7 0.01 . 2 . . . . 8 LEU HB2 . 26593 1 94 . 1 1 8 8 LEU HB3 H 1 1.7 0.01 . 2 . . . . 8 LEU HB3 . 26593 1 95 . 1 1 8 8 LEU HD11 H 1 0.891 0.01 . 2 . . . . 8 LEU MD1 . 26593 1 96 . 1 1 8 8 LEU HD12 H 1 0.891 0.01 . 2 . . . . 8 LEU MD1 . 26593 1 97 . 1 1 8 8 LEU HD13 H 1 0.891 0.01 . 2 . . . . 8 LEU MD1 . 26593 1 98 . 1 1 8 8 LEU HD21 H 1 0.891 0.01 . 2 . . . . 8 LEU MD2 . 26593 1 99 . 1 1 8 8 LEU HD22 H 1 0.891 0.01 . 2 . . . . 8 LEU MD2 . 26593 1 100 . 1 1 8 8 LEU HD23 H 1 0.891 0.01 . 2 . . . . 8 LEU MD2 . 26593 1 101 . 1 1 8 8 LEU C C 13 177.2 0.1 . 1 . . . . 8 LEU C . 26593 1 102 . 1 1 8 8 LEU CA C 13 55.15 0.1 . 1 . . . . 8 LEU CA . 26593 1 103 . 1 1 8 8 LEU CB C 13 42.98 0.1 . 1 . . . . 8 LEU CB . 26593 1 104 . 1 1 8 8 LEU CG C 13 27.62 0.1 . 1 . . . . 8 LEU CG . 26593 1 105 . 1 1 8 8 LEU CD1 C 13 25.15 0.1 . 2 . . . . 8 LEU CD1 . 26593 1 106 . 1 1 8 8 LEU CD2 C 13 23.6 0.1 . 2 . . . . 8 LEU CD2 . 26593 1 107 . 1 1 8 8 LEU N N 15 124.4 0.1 . 1 . . . . 8 LEU N . 26593 1 108 . 1 1 9 9 LEU H H 1 6.395 0.01 . 1 . . . . 9 LEU H . 26593 1 109 . 1 1 9 9 LEU HA H 1 6.42 0.01 . 1 . . . . 9 LEU HA . 26593 1 110 . 1 1 9 9 LEU HB2 H 1 1.723 0.01 . 2 . . . . 9 LEU HB2 . 26593 1 111 . 1 1 9 9 LEU HB3 H 1 1.723 0.01 . 2 . . . . 9 LEU HB3 . 26593 1 112 . 1 1 9 9 LEU C C 13 176.7 0.1 . 1 . . . . 9 LEU C . 26593 1 113 . 1 1 9 9 LEU CA C 13 55.56 0.1 . 1 . . . . 9 LEU CA . 26593 1 114 . 1 1 9 9 LEU CB C 13 44.43 0.1 . 1 . . . . 9 LEU CB . 26593 1 115 . 1 1 9 9 LEU CG C 13 27.63 0.1 . 1 . . . . 9 LEU CG . 26593 1 116 . 1 1 9 9 LEU CD1 C 13 26.27 0.1 . 2 . . . . 9 LEU CD1 . 26593 1 117 . 1 1 9 9 LEU CD2 C 13 24.68 0.1 . 2 . . . . 9 LEU CD2 . 26593 1 118 . 1 1 9 9 LEU N N 15 116.9 0.1 . 1 . . . . 9 LEU N . 26593 1 119 . 1 1 10 10 LYS H H 1 8.834 0.01 . 1 . . . . 10 LYS H . 26593 1 120 . 1 1 10 10 LYS HB2 H 1 1.771 0.01 . 2 . . . . 10 LYS HB2 . 26593 1 121 . 1 1 10 10 LYS HB3 H 1 1.771 0.01 . 2 . . . . 10 LYS HB3 . 26593 1 122 . 1 1 10 10 LYS HG2 H 1 1.229 0.01 . 2 . . . . 10 LYS HG2 . 26593 1 123 . 1 1 10 10 LYS HG3 H 1 1.229 0.01 . 2 . . . . 10 LYS HG3 . 26593 1 124 . 1 1 10 10 LYS HD2 H 1 1.65 0.01 . 2 . . . . 10 LYS HD2 . 26593 1 125 . 1 1 10 10 LYS HD3 H 1 1.65 0.01 . 2 . . . . 10 LYS HD3 . 26593 1 126 . 1 1 10 10 LYS HE2 H 1 3.076 0.01 . 2 . . . . 10 LYS HE2 . 26593 1 127 . 1 1 10 10 LYS HE3 H 1 3.076 0.01 . 2 . . . . 10 LYS HE3 . 26593 1 128 . 1 1 10 10 LYS C C 13 176.1 0.1 . 1 . . . . 10 LYS C . 26593 1 129 . 1 1 10 10 LYS CA C 13 54.69 0.1 . 1 . . . . 10 LYS CA . 26593 1 130 . 1 1 10 10 LYS CB C 13 34.98 0.1 . 1 . . . . 10 LYS CB . 26593 1 131 . 1 1 10 10 LYS CG C 13 24.64 0.1 . 1 . . . . 10 LYS CG . 26593 1 132 . 1 1 10 10 LYS CD C 13 29.05 0.1 . 1 . . . . 10 LYS CD . 26593 1 133 . 1 1 10 10 LYS N N 15 121.8 0.1 . 1 . . . . 10 LYS N . 26593 1 134 . 1 1 11 11 ASN H H 1 8.659 0.01 . 1 . . . . 11 ASN H . 26593 1 135 . 1 1 11 11 ASN HA H 1 5.101 0.01 . 1 . . . . 11 ASN HA . 26593 1 136 . 1 1 11 11 ASN HB2 H 1 2.851 0.01 . 2 . . . . 11 ASN HB2 . 26593 1 137 . 1 1 11 11 ASN HB3 H 1 2.851 0.01 . 2 . . . . 11 ASN HB3 . 26593 1 138 . 1 1 11 11 ASN C C 13 174.8 0.1 . 1 . . . . 11 ASN C . 26593 1 139 . 1 1 11 11 ASN CA C 13 54.09 0.1 . 1 . . . . 11 ASN CA . 26593 1 140 . 1 1 11 11 ASN CB C 13 38.7 0.1 . 1 . . . . 11 ASN CB . 26593 1 141 . 1 1 11 11 ASN N N 15 119.4 0.1 . 1 . . . . 11 ASN N . 26593 1 142 . 1 1 12 12 ALA H H 1 8.868 0.01 . 1 . . . . 12 ALA H . 26593 1 143 . 1 1 12 12 ALA HA H 1 4.872 0.01 . 1 . . . . 12 ALA HA . 26593 1 144 . 1 1 12 12 ALA HB1 H 1 1.205 0.01 . 1 . . . . 12 ALA MB . 26593 1 145 . 1 1 12 12 ALA HB2 H 1 1.205 0.01 . 1 . . . . 12 ALA MB . 26593 1 146 . 1 1 12 12 ALA HB3 H 1 1.205 0.01 . 1 . . . . 12 ALA MB . 26593 1 147 . 1 1 12 12 ALA C C 13 174.8 0.1 . 1 . . . . 12 ALA C . 26593 1 148 . 1 1 12 12 ALA CA C 13 51.56 0.1 . 1 . . . . 12 ALA CA . 26593 1 149 . 1 1 12 12 ALA CB C 13 22.77 0.1 . 1 . . . . 12 ALA CB . 26593 1 150 . 1 1 12 12 ALA N N 15 122.3 0.1 . 1 . . . . 12 ALA N . 26593 1 151 . 1 1 13 13 ALA H H 1 8.48 0.01 . 1 . . . . 13 ALA H . 26593 1 152 . 1 1 13 13 ALA HA H 1 5.501 0.01 . 1 . . . . 13 ALA HA . 26593 1 153 . 1 1 13 13 ALA HB1 H 1 1.22 0.01 . 1 . . . . 13 ALA MB . 26593 1 154 . 1 1 13 13 ALA HB2 H 1 1.22 0.01 . 1 . . . . 13 ALA MB . 26593 1 155 . 1 1 13 13 ALA HB3 H 1 1.22 0.01 . 1 . . . . 13 ALA MB . 26593 1 156 . 1 1 13 13 ALA C C 13 176.1 0.1 . 1 . . . . 13 ALA C . 26593 1 157 . 1 1 13 13 ALA CA C 13 51.06 0.1 . 1 . . . . 13 ALA CA . 26593 1 158 . 1 1 13 13 ALA CB C 13 19.75 0.1 . 1 . . . . 13 ALA CB . 26593 1 159 . 1 1 13 13 ALA N N 15 127.5 0.1 . 1 . . . . 13 ALA N . 26593 1 160 . 1 1 14 14 VAL H H 1 8.405 0.01 . 1 . . . . 14 VAL H . 26593 1 161 . 1 1 14 14 VAL HA H 1 4.726 0.01 . 1 . . . . 14 VAL HA . 26593 1 162 . 1 1 14 14 VAL HB H 1 2.104 0.01 . 1 . . . . 14 VAL HB . 26593 1 163 . 1 1 14 14 VAL HG11 H 1 0.582 0.01 . 2 . . . . 14 VAL MG1 . 26593 1 164 . 1 1 14 14 VAL HG12 H 1 0.582 0.01 . 2 . . . . 14 VAL MG1 . 26593 1 165 . 1 1 14 14 VAL HG13 H 1 0.582 0.01 . 2 . . . . 14 VAL MG1 . 26593 1 166 . 1 1 14 14 VAL HG21 H 1 0.909 0.01 . 2 . . . . 14 VAL MG2 . 26593 1 167 . 1 1 14 14 VAL HG22 H 1 0.909 0.01 . 2 . . . . 14 VAL MG2 . 26593 1 168 . 1 1 14 14 VAL HG23 H 1 0.909 0.01 . 2 . . . . 14 VAL MG2 . 26593 1 169 . 1 1 14 14 VAL C C 13 174.1 0.1 . 1 . . . . 14 VAL C . 26593 1 170 . 1 1 14 14 VAL CA C 13 58.29 0.1 . 1 . . . . 14 VAL CA . 26593 1 171 . 1 1 14 14 VAL CB C 13 35.67 0.1 . 1 . . . . 14 VAL CB . 26593 1 172 . 1 1 14 14 VAL CG1 C 13 20.99 0.1 . 2 . . . . 14 VAL CG1 . 26593 1 173 . 1 1 14 14 VAL CG2 C 13 18.79 0.1 . 2 . . . . 14 VAL CG2 . 26593 1 174 . 1 1 14 14 VAL N N 15 116.6 0.1 . 1 . . . . 14 VAL N . 26593 1 175 . 1 1 15 15 ARG H H 1 8.497 0.01 . 1 . . . . 15 ARG H . 26593 1 176 . 1 1 15 15 ARG HA H 1 4.395 0.01 . 1 . . . . 15 ARG HA . 26593 1 177 . 1 1 15 15 ARG HB2 H 1 1.723 0.01 . 2 . . . . 15 ARG HB2 . 26593 1 178 . 1 1 15 15 ARG HB3 H 1 1.723 0.01 . 2 . . . . 15 ARG HB3 . 26593 1 179 . 1 1 15 15 ARG HG2 H 1 1.6 0.01 . 2 . . . . 15 ARG HG2 . 26593 1 180 . 1 1 15 15 ARG HG3 H 1 1.6 0.01 . 2 . . . . 15 ARG HG3 . 26593 1 181 . 1 1 15 15 ARG HD2 H 1 3.16 0.01 . 2 . . . . 15 ARG HD2 . 26593 1 182 . 1 1 15 15 ARG HD3 H 1 3.16 0.01 . 2 . . . . 15 ARG HD3 . 26593 1 183 . 1 1 15 15 ARG C C 13 175.3 0.1 . 1 . . . . 15 ARG C . 26593 1 184 . 1 1 15 15 ARG CA C 13 55.41 0.1 . 1 . . . . 15 ARG CA . 26593 1 185 . 1 1 15 15 ARG CB C 13 30.48 0.1 . 1 . . . . 15 ARG CB . 26593 1 186 . 1 1 15 15 ARG CG C 13 27.39 0.1 . 1 . . . . 15 ARG CG . 26593 1 187 . 1 1 15 15 ARG CD C 13 43.03 0.1 . 1 . . . . 15 ARG CD . 26593 1 188 . 1 1 15 15 ARG N N 15 122.6 0.1 . 1 . . . . 15 ARG N . 26593 1 189 . 1 1 16 16 ALA H H 1 8.001 0.01 . 1 . . . . 16 ALA H . 26593 1 190 . 1 1 16 16 ALA HA H 1 3.938 0.01 . 1 . . . . 16 ALA HA . 26593 1 191 . 1 1 16 16 ALA HB1 H 1 1.17 0.01 . 1 . . . . 16 ALA MB . 26593 1 192 . 1 1 16 16 ALA HB2 H 1 1.17 0.01 . 1 . . . . 16 ALA MB . 26593 1 193 . 1 1 16 16 ALA HB3 H 1 1.17 0.01 . 1 . . . . 16 ALA MB . 26593 1 194 . 1 1 16 16 ALA C C 13 178.6 0.1 . 1 . . . . 16 ALA C . 26593 1 195 . 1 1 16 16 ALA CA C 13 53.28 0.1 . 1 . . . . 16 ALA CA . 26593 1 196 . 1 1 16 16 ALA CB C 13 17.31 0.1 . 1 . . . . 16 ALA CB . 26593 1 197 . 1 1 16 16 ALA N N 15 123 0.1 . 1 . . . . 16 ALA N . 26593 1 198 . 1 1 17 17 GLY H H 1 10.25 0.01 . 1 . . . . 17 GLY H . 26593 1 199 . 1 1 17 17 GLY HA2 H 1 4.234 0.01 . 2 . . . . 17 GLY HA2 . 26593 1 200 . 1 1 17 17 GLY HA3 H 1 4.234 0.01 . 2 . . . . 17 GLY HA3 . 26593 1 201 . 1 1 17 17 GLY C C 13 178.7 0.1 . 1 . . . . 17 GLY C . 26593 1 202 . 1 1 17 17 GLY CA C 13 44.63 0.1 . 1 . . . . 17 GLY CA . 26593 1 203 . 1 1 17 17 GLY N N 15 113.1 0.1 . 1 . . . . 17 GLY N . 26593 1 204 . 1 1 18 18 ALA H H 1 8.148 0.01 . 1 . . . . 18 ALA H . 26593 1 205 . 1 1 18 18 ALA HA H 1 4.599 0.01 . 1 . . . . 18 ALA HA . 26593 1 206 . 1 1 18 18 ALA HB1 H 1 1.55 0.01 . 1 . . . . 18 ALA MB . 26593 1 207 . 1 1 18 18 ALA HB2 H 1 1.55 0.01 . 1 . . . . 18 ALA MB . 26593 1 208 . 1 1 18 18 ALA HB3 H 1 1.55 0.01 . 1 . . . . 18 ALA MB . 26593 1 209 . 1 1 18 18 ALA C C 13 175.7 0.1 . 1 . . . . 18 ALA C . 26593 1 210 . 1 1 18 18 ALA CA C 13 51.07 0.1 . 1 . . . . 18 ALA CA . 26593 1 211 . 1 1 18 18 ALA CB C 13 20.84 0.1 . 1 . . . . 18 ALA CB . 26593 1 212 . 1 1 18 18 ALA N N 15 124.7 0.1 . 1 . . . . 18 ALA N . 26593 1 213 . 1 1 19 19 GLN H H 1 7.864 0.01 . 1 . . . . 19 GLN H . 26593 1 214 . 1 1 19 19 GLN HA H 1 4.677 0.01 . 1 . . . . 19 GLN HA . 26593 1 215 . 1 1 19 19 GLN HB2 H 1 1.92 0.01 . 2 . . . . 19 GLN HB2 . 26593 1 216 . 1 1 19 19 GLN HB3 H 1 1.92 0.01 . 2 . . . . 19 GLN HB3 . 26593 1 217 . 1 1 19 19 GLN HG2 H 1 2.34 0.01 . 2 . . . . 19 GLN HG2 . 26593 1 218 . 1 1 19 19 GLN HG3 H 1 2.34 0.01 . 2 . . . . 19 GLN HG3 . 26593 1 219 . 1 1 19 19 GLN C C 13 175.7 0.1 . 1 . . . . 19 GLN C . 26593 1 220 . 1 1 19 19 GLN CA C 13 55.1 0.1 . 1 . . . . 19 GLN CA . 26593 1 221 . 1 1 19 19 GLN CB C 13 30.64 0.1 . 1 . . . . 19 GLN CB . 26593 1 222 . 1 1 19 19 GLN CG C 13 34.31 0.1 . 1 . . . . 19 GLN CG . 26593 1 223 . 1 1 19 19 GLN N N 15 116.4 0.1 . 1 . . . . 19 GLN N . 26593 1 224 . 1 1 20 20 ALA H H 1 8.229 0.01 . 1 . . . . 20 ALA H . 26593 1 225 . 1 1 20 20 ALA HA H 1 4.6 0.01 . 1 . . . . 20 ALA HA . 26593 1 226 . 1 1 20 20 ALA HB1 H 1 1.12 0.01 . 1 . . . . 20 ALA MB . 26593 1 227 . 1 1 20 20 ALA HB2 H 1 1.12 0.01 . 1 . . . . 20 ALA MB . 26593 1 228 . 1 1 20 20 ALA HB3 H 1 1.12 0.01 . 1 . . . . 20 ALA MB . 26593 1 229 . 1 1 20 20 ALA C C 13 174.7 0.1 . 1 . . . . 20 ALA C . 26593 1 230 . 1 1 20 20 ALA CA C 13 50.66 0.1 . 1 . . . . 20 ALA CA . 26593 1 231 . 1 1 20 20 ALA CB C 13 23.25 0.1 . 1 . . . . 20 ALA CB . 26593 1 232 . 1 1 20 20 ALA N N 15 121.4 0.1 . 1 . . . . 20 ALA N . 26593 1 233 . 1 1 21 21 ARG H H 1 8.27 0.01 . 1 . . . . 21 ARG H . 26593 1 234 . 1 1 21 21 ARG HA H 1 5.343 0.01 . 1 . . . . 21 ARG HA . 26593 1 235 . 1 1 21 21 ARG HB2 H 1 2.65 0.01 . 2 . . . . 21 ARG HB2 . 26593 1 236 . 1 1 21 21 ARG HB3 H 1 2.65 0.01 . 2 . . . . 21 ARG HB3 . 26593 1 237 . 1 1 21 21 ARG C C 13 172.6 0.1 . 1 . . . . 21 ARG C . 26593 1 238 . 1 1 21 21 ARG CA C 13 56.8 0.1 . 1 . . . . 21 ARG CA . 26593 1 239 . 1 1 21 21 ARG CB C 13 29.73 0.1 . 1 . . . . 21 ARG CB . 26593 1 240 . 1 1 21 21 ARG N N 15 119.5 0.1 . 1 . . . . 21 ARG N . 26593 1 241 . 1 1 22 22 PHE H H 1 9.245 0.01 . 1 . . . . 22 PHE H . 26593 1 242 . 1 1 22 22 PHE HA H 1 57.11 0.01 . 1 . . . . 22 PHE HA . 26593 1 243 . 1 1 22 22 PHE HB2 H 1 2.93 0.01 . 2 . . . . 22 PHE HB2 . 26593 1 244 . 1 1 22 22 PHE HB3 H 1 3.22 0.01 . 2 . . . . 22 PHE HB3 . 26593 1 245 . 1 1 22 22 PHE C C 13 173.7 0.1 . 1 . . . . 22 PHE C . 26593 1 246 . 1 1 22 22 PHE CA C 13 57.11 0.1 . 1 . . . . 22 PHE CA . 26593 1 247 . 1 1 22 22 PHE CB C 13 42.18 0.1 . 1 . . . . 22 PHE CB . 26593 1 248 . 1 1 22 22 PHE N N 15 127.3 0.1 . 1 . . . . 22 PHE N . 26593 1 249 . 1 1 23 23 THR H H 1 8.836 0.01 . 1 . . . . 23 THR H . 26593 1 250 . 1 1 23 23 THR HA H 1 5.54 0.01 . 1 . . . . 23 THR HA . 26593 1 251 . 1 1 23 23 THR HB H 1 4.26 0.01 . 1 . . . . 23 THR HB . 26593 1 252 . 1 1 23 23 THR HG21 H 1 1.14 0.01 . 1 . . . . 23 THR MG . 26593 1 253 . 1 1 23 23 THR HG22 H 1 1.14 0.01 . 1 . . . . 23 THR MG . 26593 1 254 . 1 1 23 23 THR HG23 H 1 1.14 0.01 . 1 . . . . 23 THR MG . 26593 1 255 . 1 1 23 23 THR C C 13 173.6 0.1 . 1 . . . . 23 THR C . 26593 1 256 . 1 1 23 23 THR CA C 13 59.47 0.1 . 1 . . . . 23 THR CA . 26593 1 257 . 1 1 23 23 THR CB C 13 72 0.1 . 1 . . . . 23 THR CB . 26593 1 258 . 1 1 23 23 THR CG2 C 13 21.61 0.1 . 1 . . . . 23 THR CG2 . 26593 1 259 . 1 1 23 23 THR N N 15 113.2 0.1 . 1 . . . . 23 THR N . 26593 1 260 . 1 1 24 24 CYS H H 1 8.813 0.01 . 1 . . . . 24 CYS H . 26593 1 261 . 1 1 24 24 CYS HA H 1 4.861 0.01 . 1 . . . . 24 CYS HA . 26593 1 262 . 1 1 24 24 CYS HB2 H 1 2.537 0.01 . 2 . . . . 24 CYS HB2 . 26593 1 263 . 1 1 24 24 CYS HB3 H 1 2.308 0.01 . 2 . . . . 24 CYS HB3 . 26593 1 264 . 1 1 24 24 CYS C C 13 173.3 0.1 . 1 . . . . 24 CYS C . 26593 1 265 . 1 1 24 24 CYS CA C 13 56.63 0.1 . 1 . . . . 24 CYS CA . 26593 1 266 . 1 1 24 24 CYS CB C 13 30.7 0.1 . 1 . . . . 24 CYS CB . 26593 1 267 . 1 1 24 24 CYS N N 15 116.7 0.1 . 1 . . . . 24 CYS N . 26593 1 268 . 1 1 25 25 THR H H 1 7.85 0.01 . 1 . . . . 25 THR H . 26593 1 269 . 1 1 25 25 THR HA H 1 5.312 0.01 . 1 . . . . 25 THR HA . 26593 1 270 . 1 1 25 25 THR HB H 1 3.835 0.01 . 1 . . . . 25 THR HB . 26593 1 271 . 1 1 25 25 THR HG21 H 1 1.13 0.01 . 1 . . . . 25 THR MG . 26593 1 272 . 1 1 25 25 THR HG22 H 1 1.13 0.01 . 1 . . . . 25 THR MG . 26593 1 273 . 1 1 25 25 THR HG23 H 1 1.13 0.01 . 1 . . . . 25 THR MG . 26593 1 274 . 1 1 25 25 THR C C 13 173.3 0.1 . 1 . . . . 25 THR C . 26593 1 275 . 1 1 25 25 THR CA C 13 5.312 0.1 . 1 . . . . 25 THR CA . 26593 1 276 . 1 1 25 25 THR CB C 13 71.12 0.1 . 1 . . . . 25 THR CB . 26593 1 277 . 1 1 25 25 THR CG2 C 13 21.84 0.1 . 1 . . . . 25 THR CG2 . 26593 1 278 . 1 1 25 25 THR N N 15 117.1 0.1 . 1 . . . . 25 THR N . 26593 1 279 . 1 1 26 26 LEU H H 1 9.24 0.01 . 1 . . . . 26 LEU H . 26593 1 280 . 1 1 26 26 LEU HA H 1 5.171 0.01 . 1 . . . . 26 LEU HA . 26593 1 281 . 1 1 26 26 LEU HB2 H 1 2.323 0.01 . 2 . . . . 26 LEU HB2 . 26593 1 282 . 1 1 26 26 LEU HB3 H 1 2.323 0.01 . 2 . . . . 26 LEU HB3 . 26593 1 283 . 1 1 26 26 LEU HG H 1 1.773 0.01 . 1 . . . . 26 LEU HG . 26593 1 284 . 1 1 26 26 LEU HD11 H 1 0.95 0.01 . 2 . . . . 26 LEU MD1 . 26593 1 285 . 1 1 26 26 LEU HD12 H 1 0.95 0.01 . 2 . . . . 26 LEU MD1 . 26593 1 286 . 1 1 26 26 LEU HD13 H 1 0.95 0.01 . 2 . . . . 26 LEU MD1 . 26593 1 287 . 1 1 26 26 LEU HD21 H 1 0.78 0.01 . 2 . . . . 26 LEU MD2 . 26593 1 288 . 1 1 26 26 LEU HD22 H 1 0.78 0.01 . 2 . . . . 26 LEU MD2 . 26593 1 289 . 1 1 26 26 LEU HD23 H 1 0.78 0.01 . 2 . . . . 26 LEU MD2 . 26593 1 290 . 1 1 26 26 LEU C C 13 176.8 0.1 . 1 . . . . 26 LEU C . 26593 1 291 . 1 1 26 26 LEU CA C 13 53.28 0.1 . 1 . . . . 26 LEU CA . 26593 1 292 . 1 1 26 26 LEU CB C 13 45.49 0.1 . 1 . . . . 26 LEU CB . 26593 1 293 . 1 1 26 26 LEU CG C 13 23.74 0.1 . 1 . . . . 26 LEU CG . 26593 1 294 . 1 1 26 26 LEU CD1 C 13 26.74 0.1 . 2 . . . . 26 LEU CD1 . 26593 1 295 . 1 1 26 26 LEU CD2 C 13 27.45 0.1 . 2 . . . . 26 LEU CD2 . 26593 1 296 . 1 1 26 26 LEU N N 15 126.5 0.1 . 1 . . . . 26 LEU N . 26593 1 297 . 1 1 27 27 SER H H 1 8.639 0.01 . 1 . . . . 27 SER H . 26593 1 298 . 1 1 27 27 SER HA H 1 4.3 0.01 . 1 . . . . 27 SER HA . 26593 1 299 . 1 1 27 27 SER HB2 H 1 3.75 0.01 . 2 . . . . 27 SER HB2 . 26593 1 300 . 1 1 27 27 SER HB3 H 1 3.75 0.01 . 2 . . . . 27 SER HB3 . 26593 1 301 . 1 1 27 27 SER C C 13 176.8 0.1 . 1 . . . . 27 SER C . 26593 1 302 . 1 1 27 27 SER CA C 13 60.21 0.1 . 1 . . . . 27 SER CA . 26593 1 303 . 1 1 27 27 SER CB C 13 62.82 0.1 . 1 . . . . 27 SER CB . 26593 1 304 . 1 1 27 27 SER N N 15 112.1 0.1 . 1 . . . . 27 SER N . 26593 1 305 . 1 1 28 28 GLU H H 1 7.145 0.01 . 1 . . . . 28 GLU H . 26593 1 306 . 1 1 28 28 GLU HA H 1 4.554 0.01 . 1 . . . . 28 GLU HA . 26593 1 307 . 1 1 28 28 GLU HB2 H 1 1.779 0.01 . 2 . . . . 28 GLU HB2 . 26593 1 308 . 1 1 28 28 GLU HB3 H 1 1.779 0.01 . 2 . . . . 28 GLU HB3 . 26593 1 309 . 1 1 28 28 GLU HG2 H 1 2.051 0.01 . 2 . . . . 28 GLU HG2 . 26593 1 310 . 1 1 28 28 GLU HG3 H 1 2.051 0.01 . 2 . . . . 28 GLU HG3 . 26593 1 311 . 1 1 28 28 GLU C C 13 173.3 0.1 . 1 . . . . 28 GLU C . 26593 1 312 . 1 1 28 28 GLU CA C 13 54.43 0.1 . 1 . . . . 28 GLU CA . 26593 1 313 . 1 1 28 28 GLU CB C 13 33.62 0.1 . 1 . . . . 28 GLU CB . 26593 1 314 . 1 1 28 28 GLU CG C 13 35.39 0.1 . 1 . . . . 28 GLU CG . 26593 1 315 . 1 1 28 28 GLU N N 15 117.1 0.1 . 1 . . . . 28 GLU N . 26593 1 316 . 1 1 29 29 ALA H H 1 8.439 0.01 . 1 . . . . 29 ALA H . 26593 1 317 . 1 1 29 29 ALA HA H 1 4.06 0.01 . 1 . . . . 29 ALA HA . 26593 1 318 . 1 1 29 29 ALA HB1 H 1 1.287 0.01 . 1 . . . . 29 ALA MB . 26593 1 319 . 1 1 29 29 ALA HB2 H 1 1.287 0.01 . 1 . . . . 29 ALA MB . 26593 1 320 . 1 1 29 29 ALA HB3 H 1 1.287 0.01 . 1 . . . . 29 ALA MB . 26593 1 321 . 1 1 29 29 ALA C C 13 176.3 0.1 . 1 . . . . 29 ALA C . 26593 1 322 . 1 1 29 29 ALA CA C 13 51.94 0.1 . 1 . . . . 29 ALA CA . 26593 1 323 . 1 1 29 29 ALA CB C 13 17.89 0.1 . 1 . . . . 29 ALA CB . 26593 1 324 . 1 1 29 29 ALA N N 15 122.1 0.1 . 1 . . . . 29 ALA N . 26593 1 325 . 1 1 30 30 VAL H H 1 7.818 0.01 . 1 . . . . 30 VAL H . 26593 1 326 . 1 1 30 30 VAL HA H 1 4.124 0.01 . 1 . . . . 30 VAL HA . 26593 1 327 . 1 1 30 30 VAL HB H 1 2.033 0.01 . 1 . . . . 30 VAL HB . 26593 1 328 . 1 1 30 30 VAL HG11 H 1 0.906 0.01 . 2 . . . . 30 VAL MG1 . 26593 1 329 . 1 1 30 30 VAL HG12 H 1 0.906 0.01 . 2 . . . . 30 VAL MG1 . 26593 1 330 . 1 1 30 30 VAL HG13 H 1 0.906 0.01 . 2 . . . . 30 VAL MG1 . 26593 1 331 . 1 1 30 30 VAL HG21 H 1 0.906 0.01 . 2 . . . . 30 VAL MG2 . 26593 1 332 . 1 1 30 30 VAL HG22 H 1 0.906 0.01 . 2 . . . . 30 VAL MG2 . 26593 1 333 . 1 1 30 30 VAL HG23 H 1 0.906 0.01 . 2 . . . . 30 VAL MG2 . 26593 1 334 . 1 1 30 30 VAL C C 13 176.3 0.1 . 1 . . . . 30 VAL C . 26593 1 335 . 1 1 30 30 VAL CA C 13 58.78 0.1 . 1 . . . . 30 VAL CA . 26593 1 336 . 1 1 30 30 VAL CB C 13 33.07 0.1 . 1 . . . . 30 VAL CB . 26593 1 337 . 1 1 30 30 VAL CG1 C 13 33.07 0.1 . 2 . . . . 30 VAL CG1 . 26593 1 338 . 1 1 30 30 VAL CG2 C 13 33.07 0.1 . 2 . . . . 30 VAL CG2 . 26593 1 339 . 1 1 30 30 VAL N N 15 120.1 0.1 . 1 . . . . 30 VAL N . 26593 1 340 . 1 1 31 31 PRO HA H 1 4.35 0.01 . 1 . . . . 31 PRO HA . 26593 1 341 . 1 1 31 31 PRO C C 13 176.3 0.1 . 1 . . . . 31 PRO C . 26593 1 342 . 1 1 31 31 PRO CA C 13 63.1 0.1 . 1 . . . . 31 PRO CA . 26593 1 343 . 1 1 31 31 PRO CB C 13 34.6 0.1 . 1 . . . . 31 PRO CB . 26593 1 344 . 1 1 31 31 PRO CG C 13 28.4 0.1 . 1 . . . . 31 PRO CG . 26593 1 345 . 1 1 31 31 PRO CD C 13 50.5 0.1 . 1 . . . . 31 PRO CD . 26593 1 346 . 1 1 32 32 VAL H H 1 8.596 0.01 . 1 . . . . 32 VAL H . 26593 1 347 . 1 1 32 32 VAL HA H 1 4.627 0.01 . 1 . . . . 32 VAL HA . 26593 1 348 . 1 1 32 32 VAL C C 13 176.5 0.1 . 1 . . . . 32 VAL C . 26593 1 349 . 1 1 32 32 VAL CA C 13 54.74 0.1 . 1 . . . . 32 VAL CA . 26593 1 350 . 1 1 32 32 VAL CB C 13 41.46 0.1 . 1 . . . . 32 VAL CB . 26593 1 351 . 1 1 32 32 VAL N N 15 121.3 0.1 . 1 . . . . 32 VAL N . 26593 1 352 . 1 1 33 33 GLY H H 1 8.077 0.01 . 1 . . . . 33 GLY H . 26593 1 353 . 1 1 33 33 GLY HA2 H 1 5.423 0.01 . 2 . . . . 33 GLY HA2 . 26593 1 354 . 1 1 33 33 GLY HA3 H 1 5.423 0.01 . 2 . . . . 33 GLY HA3 . 26593 1 355 . 1 1 33 33 GLY C C 13 175.1 0.1 . 1 . . . . 33 GLY C . 26593 1 356 . 1 1 33 33 GLY CA C 13 46.59 0.1 . 1 . . . . 33 GLY CA . 26593 1 357 . 1 1 33 33 GLY N N 15 120.4 0.1 . 1 . . . . 33 GLY N . 26593 1 358 . 1 1 34 34 GLU H H 1 7.765 0.01 . 1 . . . . 34 GLU H . 26593 1 359 . 1 1 34 34 GLU HA H 1 4.292 0.01 . 1 . . . . 34 GLU HA . 26593 1 360 . 1 1 34 34 GLU HB2 H 1 1.816 0.01 . 2 . . . . 34 GLU HB2 . 26593 1 361 . 1 1 34 34 GLU HB3 H 1 1.816 0.01 . 2 . . . . 34 GLU HB3 . 26593 1 362 . 1 1 34 34 GLU HG2 H 1 2.185 0.01 . 2 . . . . 34 GLU HG2 . 26593 1 363 . 1 1 34 34 GLU HG3 H 1 2.185 0.01 . 2 . . . . 34 GLU HG3 . 26593 1 364 . 1 1 34 34 GLU C C 13 175.8 0.1 . 1 . . . . 34 GLU C . 26593 1 365 . 1 1 34 34 GLU CA C 13 57.72 0.1 . 1 . . . . 34 GLU CA . 26593 1 366 . 1 1 34 34 GLU CB C 13 30.47 0.1 . 1 . . . . 34 GLU CB . 26593 1 367 . 1 1 34 34 GLU N N 15 118.4 0.1 . 1 . . . . 34 GLU N . 26593 1 368 . 1 1 35 35 ALA H H 1 7.904 0.01 . 1 . . . . 35 ALA H . 26593 1 369 . 1 1 35 35 ALA HA H 1 4.378 0.01 . 1 . . . . 35 ALA HA . 26593 1 370 . 1 1 35 35 ALA HB1 H 1 1.195 0.01 . 1 . . . . 35 ALA MB . 26593 1 371 . 1 1 35 35 ALA HB2 H 1 1.195 0.01 . 1 . . . . 35 ALA MB . 26593 1 372 . 1 1 35 35 ALA HB3 H 1 1.195 0.01 . 1 . . . . 35 ALA MB . 26593 1 373 . 1 1 35 35 ALA C C 13 181.3 0.1 . 1 . . . . 35 ALA C . 26593 1 374 . 1 1 35 35 ALA CA C 13 50.92 0.1 . 1 . . . . 35 ALA CA . 26593 1 375 . 1 1 35 35 ALA CB C 13 1.195 0.1 . 1 . . . . 35 ALA CB . 26593 1 376 . 1 1 35 35 ALA N N 15 123.0 0.1 . 1 . . . . 35 ALA N . 26593 1 377 . 1 1 36 36 SER H H 1 8.178 0.01 . 1 . . . . 36 SER H . 26593 1 378 . 1 1 36 36 SER HA H 1 4.605 0.01 . 1 . . . . 36 SER HA . 26593 1 379 . 1 1 36 36 SER HB2 H 1 3.406 0.01 . 2 . . . . 36 SER HB2 . 26593 1 380 . 1 1 36 36 SER HB3 H 1 3.406 0.01 . 2 . . . . 36 SER HB3 . 26593 1 381 . 1 1 36 36 SER C C 13 176.4 0.1 . 1 . . . . 36 SER C . 26593 1 382 . 1 1 36 36 SER CA C 13 58.08 0.1 . 1 . . . . 36 SER CA . 26593 1 383 . 1 1 36 36 SER CB C 13 66.81 0.1 . 1 . . . . 36 SER CB . 26593 1 384 . 1 1 36 36 SER N N 15 116.5 0.1 . 1 . . . . 36 SER N . 26593 1 385 . 1 1 37 37 TRP H H 1 8.093 0.01 . 1 . . . . 37 TRP H . 26593 1 386 . 1 1 37 37 TRP HA H 1 5.431 0.01 . 1 . . . . 37 TRP HA . 26593 1 387 . 1 1 37 37 TRP HB2 H 1 2.85 0.01 . 2 . . . . 37 TRP HB2 . 26593 1 388 . 1 1 37 37 TRP HB3 H 1 2.55 0.01 . 2 . . . . 37 TRP HB3 . 26593 1 389 . 1 1 37 37 TRP C C 13 175.5 0.1 . 1 . . . . 37 TRP C . 26593 1 390 . 1 1 37 37 TRP CA C 13 55.08 0.1 . 1 . . . . 37 TRP CA . 26593 1 391 . 1 1 37 37 TRP CB C 13 32.25 0.1 . 1 . . . . 37 TRP CB . 26593 1 392 . 1 1 37 37 TRP N N 15 121.0 0.1 . 1 . . . . 37 TRP N . 26593 1 393 . 1 1 38 38 TYR H H 1 9.494 0.01 . 1 . . . . 38 TYR H . 26593 1 394 . 1 1 38 38 TYR HA H 1 4.999 0.01 . 1 . . . . 38 TYR HA . 26593 1 395 . 1 1 38 38 TYR HB2 H 1 2.724 0.01 . 2 . . . . 38 TYR HB2 . 26593 1 396 . 1 1 38 38 TYR HB3 H 1 2.246 0.01 . 2 . . . . 38 TYR HB3 . 26593 1 397 . 1 1 38 38 TYR C C 13 174.1 0.1 . 1 . . . . 38 TYR C . 26593 1 398 . 1 1 38 38 TYR CA C 13 56.09 0.1 . 1 . . . . 38 TYR CA . 26593 1 399 . 1 1 38 38 TYR CB C 13 41.96 0.1 . 1 . . . . 38 TYR CB . 26593 1 400 . 1 1 38 38 TYR N N 15 118.7 0.1 . 1 . . . . 38 TYR N . 26593 1 401 . 1 1 39 39 ILE H H 1 8.72 0.01 . 1 . . . . 39 ILE H . 26593 1 402 . 1 1 39 39 ILE HA H 1 5.154 0.01 . 1 . . . . 39 ILE HA . 26593 1 403 . 1 1 39 39 ILE HB H 1 1.653 0.01 . 1 . . . . 39 ILE HB . 26593 1 404 . 1 1 39 39 ILE HG12 H 1 0.866 0.01 . 2 . . . . 39 ILE HG12 . 26593 1 405 . 1 1 39 39 ILE HG13 H 1 0.866 0.01 . 2 . . . . 39 ILE HG13 . 26593 1 406 . 1 1 39 39 ILE HG21 H 1 0.83 0.01 . 1 . . . . 39 ILE MG . 26593 1 407 . 1 1 39 39 ILE HG22 H 1 0.83 0.01 . 1 . . . . 39 ILE MG . 26593 1 408 . 1 1 39 39 ILE HG23 H 1 0.83 0.01 . 1 . . . . 39 ILE MG . 26593 1 409 . 1 1 39 39 ILE HD11 H 1 0.29 0.01 . 1 . . . . 39 ILE MD . 26593 1 410 . 1 1 39 39 ILE HD12 H 1 0.29 0.01 . 1 . . . . 39 ILE MD . 26593 1 411 . 1 1 39 39 ILE HD13 H 1 0.29 0.01 . 1 . . . . 39 ILE MD . 26593 1 412 . 1 1 39 39 ILE C C 13 176.7 0.1 . 1 . . . . 39 ILE C . 26593 1 413 . 1 1 39 39 ILE CA C 13 56.76 0.1 . 1 . . . . 39 ILE CA . 26593 1 414 . 1 1 39 39 ILE CB C 13 38.76 0.1 . 1 . . . . 39 ILE CB . 26593 1 415 . 1 1 39 39 ILE CG1 C 13 37.43 0.1 . 1 . . . . 39 ILE CG1 . 26593 1 416 . 1 1 39 39 ILE CG2 C 13 17.14 0.1 . 1 . . . . 39 ILE CG2 . 26593 1 417 . 1 1 39 39 ILE CD1 C 13 12.1 0.1 . 1 . . . . 39 ILE CD1 . 26593 1 418 . 1 1 39 39 ILE N N 15 119.0 0.1 . 1 . . . . 39 ILE N . 26593 1 419 . 1 1 40 40 ASN H H 1 9.821 0.01 . 1 . . . . 40 ASN H . 26593 1 420 . 1 1 40 40 ASN HA H 1 4.532 0.01 . 1 . . . . 40 ASN HA . 26593 1 421 . 1 1 40 40 ASN HB2 H 1 3.035 0.01 . 2 . . . . 40 ASN HB2 . 26593 1 422 . 1 1 40 40 ASN HB3 H 1 3.035 0.01 . 2 . . . . 40 ASN HB3 . 26593 1 423 . 1 1 40 40 ASN C C 13 175.7 0.1 . 1 . . . . 40 ASN C . 26593 1 424 . 1 1 40 40 ASN CA C 13 54.87 0.1 . 1 . . . . 40 ASN CA . 26593 1 425 . 1 1 40 40 ASN CB C 13 37.8 0.1 . 1 . . . . 40 ASN CB . 26593 1 426 . 1 1 40 40 ASN N N 15 127.0 0.1 . 1 . . . . 40 ASN N . 26593 1 427 . 1 1 41 41 GLY H H 1 8.629 0.01 . 1 . . . . 41 GLY H . 26593 1 428 . 1 1 41 41 GLY HA2 H 1 4.52 0.01 . 2 . . . . 41 GLY HA2 . 26593 1 429 . 1 1 41 41 GLY HA3 H 1 4.52 0.01 . 2 . . . . 41 GLY HA3 . 26593 1 430 . 1 1 41 41 GLY C C 13 172.8 0.1 . 1 . . . . 41 GLY C . 26593 1 431 . 1 1 41 41 GLY CA C 13 45.42 0.1 . 1 . . . . 41 GLY CA . 26593 1 432 . 1 1 41 41 GLY N N 15 128.1 0.1 . 1 . . . . 41 GLY N . 26593 1 433 . 1 1 42 42 ALA H H 1 8.004 0.01 . 1 . . . . 42 ALA H . 26593 1 434 . 1 1 42 42 ALA HA H 1 5.003 0.01 . 1 . . . . 42 ALA HA . 26593 1 435 . 1 1 42 42 ALA HB1 H 1 1.529 0.01 . 1 . . . . 42 ALA MB . 26593 1 436 . 1 1 42 42 ALA HB2 H 1 1.529 0.01 . 1 . . . . 42 ALA MB . 26593 1 437 . 1 1 42 42 ALA HB3 H 1 1.529 0.01 . 1 . . . . 42 ALA MB . 26593 1 438 . 1 1 42 42 ALA C C 13 176.7 0.1 . 1 . . . . 42 ALA C . 26593 1 439 . 1 1 42 42 ALA CA C 13 50.79 0.1 . 1 . . . . 42 ALA CA . 26593 1 440 . 1 1 42 42 ALA CB C 13 20.31 0.1 . 1 . . . . 42 ALA CB . 26593 1 441 . 1 1 42 42 ALA N N 15 125.0 0.1 . 1 . . . . 42 ALA N . 26593 1 442 . 1 1 43 43 ALA H H 1 8.741 0.01 . 1 . . . . 43 ALA H . 26593 1 443 . 1 1 43 43 ALA HA H 1 4.09 0.01 . 1 . . . . 43 ALA HA . 26593 1 444 . 1 1 43 43 ALA HB1 H 1 1.15 0.01 . 1 . . . . 43 ALA MB . 26593 1 445 . 1 1 43 43 ALA HB2 H 1 1.15 0.01 . 1 . . . . 43 ALA MB . 26593 1 446 . 1 1 43 43 ALA HB3 H 1 1.15 0.01 . 1 . . . . 43 ALA MB . 26593 1 447 . 1 1 43 43 ALA C C 13 178.4 0.1 . 1 . . . . 43 ALA C . 26593 1 448 . 1 1 43 43 ALA CA C 13 52.47 0.1 . 1 . . . . 43 ALA CA . 26593 1 449 . 1 1 43 43 ALA CB C 13 18.13 0.1 . 1 . . . . 43 ALA CB . 26593 1 450 . 1 1 43 43 ALA N N 15 111.6 0.1 . 1 . . . . 43 ALA N . 26593 1 451 . 1 1 44 44 VAL H H 1 8.291 0.01 . 1 . . . . 44 VAL H . 26593 1 452 . 1 1 44 44 VAL HA H 1 3.774 0.01 . 1 . . . . 44 VAL HA . 26593 1 453 . 1 1 44 44 VAL HB H 1 1.657 0.01 . 1 . . . . 44 VAL HB . 26593 1 454 . 1 1 44 44 VAL HG11 H 1 0.582 0.01 . 2 . . . . 44 VAL MG1 . 26593 1 455 . 1 1 44 44 VAL HG12 H 1 0.582 0.01 . 2 . . . . 44 VAL MG1 . 26593 1 456 . 1 1 44 44 VAL HG13 H 1 0.582 0.01 . 2 . . . . 44 VAL MG1 . 26593 1 457 . 1 1 44 44 VAL HG21 H 1 0.276 0.01 . 2 . . . . 44 VAL MG2 . 26593 1 458 . 1 1 44 44 VAL HG22 H 1 0.276 0.01 . 2 . . . . 44 VAL MG2 . 26593 1 459 . 1 1 44 44 VAL HG23 H 1 0.276 0.01 . 2 . . . . 44 VAL MG2 . 26593 1 460 . 1 1 44 44 VAL C C 13 176.3 0.1 . 1 . . . . 44 VAL C . 26593 1 461 . 1 1 44 44 VAL CA C 13 63.46 0.1 . 1 . . . . 44 VAL CA . 26593 1 462 . 1 1 44 44 VAL CB C 13 31.68 0.1 . 1 . . . . 44 VAL CB . 26593 1 463 . 1 1 44 44 VAL CG1 C 13 21.27 0.1 . 2 . . . . 44 VAL CG1 . 26593 1 464 . 1 1 44 44 VAL CG2 C 13 21.27 0.1 . 2 . . . . 44 VAL CG2 . 26593 1 465 . 1 1 44 44 VAL N N 15 124.6 0.1 . 1 . . . . 44 VAL N . 26593 1 466 . 1 1 45 45 GLN H H 1 9.233 0.01 . 1 . . . . 45 GLN H . 26593 1 467 . 1 1 45 45 GLN HA H 1 4.65 0.01 . 1 . . . . 45 GLN HA . 26593 1 468 . 1 1 45 45 GLN HB2 H 1 2.017 0.01 . 2 . . . . 45 GLN HB2 . 26593 1 469 . 1 1 45 45 GLN HB3 H 1 2.017 0.01 . 2 . . . . 45 GLN HB3 . 26593 1 470 . 1 1 45 45 GLN HG2 H 1 2.519 0.01 . 2 . . . . 45 GLN HG2 . 26593 1 471 . 1 1 45 45 GLN HG3 H 1 2.519 0.01 . 2 . . . . 45 GLN HG3 . 26593 1 472 . 1 1 45 45 GLN C C 13 175.7 0.1 . 1 . . . . 45 GLN C . 26593 1 473 . 1 1 45 45 GLN CA C 13 53.49 0.1 . 1 . . . . 45 GLN CA . 26593 1 474 . 1 1 45 45 GLN CB C 13 28.71 0.1 . 1 . . . . 45 GLN CB . 26593 1 475 . 1 1 45 45 GLN N N 15 129.7 0.1 . 1 . . . . 45 GLN N . 26593 1 476 . 1 1 46 46 PRO HA H 1 4.44 0.01 . 1 . . . . 46 PRO HA . 26593 1 477 . 1 1 46 46 PRO HB2 H 1 2.41 0.01 . 2 . . . . 46 PRO HB2 . 26593 1 478 . 1 1 46 46 PRO HB3 H 1 2.41 0.01 . 2 . . . . 46 PRO HB3 . 26593 1 479 . 1 1 46 46 PRO HG2 H 1 2 0.01 . 2 . . . . 46 PRO HG2 . 26593 1 480 . 1 1 46 46 PRO HG3 H 1 2 0.01 . 2 . . . . 46 PRO HG3 . 26593 1 481 . 1 1 46 46 PRO HD2 H 1 3.82 0.01 . 2 . . . . 46 PRO HD2 . 26593 1 482 . 1 1 46 46 PRO HD3 H 1 3.82 0.01 . 2 . . . . 46 PRO HD3 . 26593 1 483 . 1 1 46 46 PRO C C 13 176.3 0.1 . 1 . . . . 46 PRO C . 26593 1 484 . 1 1 46 46 PRO CA C 13 64.5 0.1 . 1 . . . . 46 PRO CA . 26593 1 485 . 1 1 46 46 PRO CB C 13 31.8 0.1 . 1 . . . . 46 PRO CB . 26593 1 486 . 1 1 46 46 PRO CG C 13 28.2 0.1 . 1 . . . . 46 PRO CG . 26593 1 487 . 1 1 46 46 PRO CD C 13 51.3 0.1 . 1 . . . . 46 PRO CD . 26593 1 488 . 1 1 47 47 ASP H H 1 8.152 0.01 . 1 . . . . 47 ASP H . 26593 1 489 . 1 1 47 47 ASP HA H 1 4.66 0.01 . 1 . . . . 47 ASP HA . 26593 1 490 . 1 1 47 47 ASP HB2 H 1 2.865 0.01 . 2 . . . . 47 ASP HB2 . 26593 1 491 . 1 1 47 47 ASP HB3 H 1 2.865 0.01 . 2 . . . . 47 ASP HB3 . 26593 1 492 . 1 1 47 47 ASP C C 13 175.6 0.1 . 1 . . . . 47 ASP C . 26593 1 493 . 1 1 47 47 ASP CA C 13 53.11 0.1 . 1 . . . . 47 ASP CA . 26593 1 494 . 1 1 47 47 ASP CB C 13 39.66 0.1 . 1 . . . . 47 ASP CB . 26593 1 495 . 1 1 47 47 ASP N N 15 114.6 0.1 . 1 . . . . 47 ASP N . 26593 1 496 . 1 1 48 48 ASP H H 1 7.62 0.01 . 1 . . . . 48 ASP H . 26593 1 497 . 1 1 48 48 ASP HA H 1 4.629 0.01 . 1 . . . . 48 ASP HA . 26593 1 498 . 1 1 48 48 ASP HB2 H 1 3.311 0.01 . 2 . . . . 48 ASP HB2 . 26593 1 499 . 1 1 48 48 ASP HB3 H 1 2.902 0.01 . 2 . . . . 48 ASP HB3 . 26593 1 500 . 1 1 48 48 ASP C C 13 176.8 0.1 . 1 . . . . 48 ASP C . 26593 1 501 . 1 1 48 48 ASP CA C 13 55.07 0.1 . 1 . . . . 48 ASP CA . 26593 1 502 . 1 1 48 48 ASP CB C 13 42.47 0.1 . 1 . . . . 48 ASP CB . 26593 1 503 . 1 1 48 48 ASP N N 15 121.7 0.1 . 1 . . . . 48 ASP N . 26593 1 504 . 1 1 49 49 SER H H 1 8.584 0.01 . 1 . . . . 49 SER H . 26593 1 505 . 1 1 49 49 SER HA H 1 4.331 0.01 . 1 . . . . 49 SER HA . 26593 1 506 . 1 1 49 49 SER HB2 H 1 3.891 0.01 . 2 . . . . 49 SER HB2 . 26593 1 507 . 1 1 49 49 SER HB3 H 1 3.981 0.01 . 2 . . . . 49 SER HB3 . 26593 1 508 . 1 1 49 49 SER C C 13 176.8 0.1 . 1 . . . . 49 SER C . 26593 1 509 . 1 1 49 49 SER CA C 13 4.331 0.1 . 1 . . . . 49 SER CA . 26593 1 510 . 1 1 49 49 SER CB C 13 63.94 0.1 . 1 . . . . 49 SER CB . 26593 1 511 . 1 1 49 49 SER N N 15 119.9 0.1 . 1 . . . . 49 SER N . 26593 1 512 . 1 1 50 50 ASP H H 1 9.076 0.01 . 1 . . . . 50 ASP H . 26593 1 513 . 1 1 50 50 ASP HA H 1 4.564 0.01 . 1 . . . . 50 ASP HA . 26593 1 514 . 1 1 50 50 ASP HB2 H 1 2.6 0.01 . 2 . . . . 50 ASP HB2 . 26593 1 515 . 1 1 50 50 ASP HB3 H 1 2 0.01 . 2 . . . . 50 ASP HB3 . 26593 1 516 . 1 1 50 50 ASP C C 13 174.9 0.1 . 1 . . . . 50 ASP C . 26593 1 517 . 1 1 50 50 ASP CA C 13 56.36 0.1 . 1 . . . . 50 ASP CA . 26593 1 518 . 1 1 50 50 ASP CB C 13 42.1 0.1 . 1 . . . . 50 ASP CB . 26593 1 519 . 1 1 50 50 ASP N N 15 122.0 0.1 . 1 . . . . 50 ASP N . 26593 1 520 . 1 1 51 51 TRP H H 1 8.068 0.01 . 1 . . . . 51 TRP H . 26593 1 521 . 1 1 51 51 TRP HA H 1 5.423 0.01 . 1 . . . . 51 TRP HA . 26593 1 522 . 1 1 51 51 TRP HB2 H 1 2.82 0.01 . 2 . . . . 51 TRP HB2 . 26593 1 523 . 1 1 51 51 TRP HB3 H 1 2.82 0.01 . 2 . . . . 51 TRP HB3 . 26593 1 524 . 1 1 51 51 TRP HD1 H 1 7.3 0.01 . 1 . . . . 51 TRP HD1 . 26593 1 525 . 1 1 51 51 TRP C C 13 175.1 0.1 . 1 . . . . 51 TRP C . 26593 1 526 . 1 1 51 51 TRP CA C 13 55.19 0.1 . 1 . . . . 51 TRP CA . 26593 1 527 . 1 1 51 51 TRP CB C 13 32.93 0.1 . 1 . . . . 51 TRP CB . 26593 1 528 . 1 1 51 51 TRP N N 15 120.3 0.1 . 1 . . . . 51 TRP N . 26593 1 529 . 1 1 52 52 THR H H 1 9.383 0.01 . 1 . . . . 52 THR H . 26593 1 530 . 1 1 52 52 THR HA H 1 4.61 0.01 . 1 . . . . 52 THR HA . 26593 1 531 . 1 1 52 52 THR HB H 1 3.93 0.01 . 1 . . . . 52 THR HB . 26593 1 532 . 1 1 52 52 THR HG21 H 1 1.18 0.01 . 1 . . . . 52 THR MG . 26593 1 533 . 1 1 52 52 THR HG22 H 1 1.18 0.01 . 1 . . . . 52 THR MG . 26593 1 534 . 1 1 52 52 THR HG23 H 1 1.18 0.01 . 1 . . . . 52 THR MG . 26593 1 535 . 1 1 52 52 THR C C 13 176.3 0.1 . 1 . . . . 52 THR C . 26593 1 536 . 1 1 52 52 THR CA C 13 62.18 0.1 . 1 . . . . 52 THR CA . 26593 1 537 . 1 1 52 52 THR CB C 13 71.71 0.1 . 1 . . . . 52 THR CB . 26593 1 538 . 1 1 52 52 THR CG2 C 13 21.62 0.1 . 1 . . . . 52 THR CG2 . 26593 1 539 . 1 1 52 52 THR N N 15 117.7 0.1 . 1 . . . . 52 THR N . 26593 1 540 . 1 1 53 53 VAL H H 1 8.908 0.01 . 1 . . . . 53 VAL H . 26593 1 541 . 1 1 53 53 VAL HA H 1 4.565 0.01 . 1 . . . . 53 VAL HA . 26593 1 542 . 1 1 53 53 VAL HB H 1 2.03 0.01 . 1 . . . . 53 VAL HB . 26593 1 543 . 1 1 53 53 VAL HG11 H 1 1.11 0.01 . 2 . . . . 53 VAL MG1 . 26593 1 544 . 1 1 53 53 VAL HG12 H 1 1.11 0.01 . 2 . . . . 53 VAL MG1 . 26593 1 545 . 1 1 53 53 VAL HG13 H 1 1.11 0.01 . 2 . . . . 53 VAL MG1 . 26593 1 546 . 1 1 53 53 VAL HG21 H 1 0.82 0.01 . 2 . . . . 53 VAL MG2 . 26593 1 547 . 1 1 53 53 VAL HG22 H 1 0.82 0.01 . 2 . . . . 53 VAL MG2 . 26593 1 548 . 1 1 53 53 VAL HG23 H 1 0.82 0.01 . 2 . . . . 53 VAL MG2 . 26593 1 549 . 1 1 53 53 VAL C C 13 173.3 0.1 . 1 . . . . 53 VAL C . 26593 1 550 . 1 1 53 53 VAL CA C 13 61.93 0.1 . 1 . . . . 53 VAL CA . 26593 1 551 . 1 1 53 53 VAL CB C 13 33.65 0.1 . 1 . . . . 53 VAL CB . 26593 1 552 . 1 1 53 53 VAL CG1 C 13 21.44 0.1 . 2 . . . . 53 VAL CG1 . 26593 1 553 . 1 1 53 53 VAL CG2 C 13 22.04 0.1 . 2 . . . . 53 VAL CG2 . 26593 1 554 . 1 1 53 53 VAL N N 15 129.6 0.1 . 1 . . . . 53 VAL N . 26593 1 555 . 1 1 54 54 THR H H 1 9.256 0.01 . 1 . . . . 54 THR H . 26593 1 556 . 1 1 54 54 THR HA H 1 4.087 0.01 . 1 . . . . 54 THR HA . 26593 1 557 . 1 1 54 54 THR HB H 1 4.78 0.01 . 1 . . . . 54 THR HB . 26593 1 558 . 1 1 54 54 THR HG21 H 1 1.08 0.01 . 1 . . . . 54 THR MG . 26593 1 559 . 1 1 54 54 THR HG22 H 1 1.08 0.01 . 1 . . . . 54 THR MG . 26593 1 560 . 1 1 54 54 THR HG23 H 1 1.08 0.01 . 1 . . . . 54 THR MG . 26593 1 561 . 1 1 54 54 THR C C 13 173.7 0.1 . 1 . . . . 54 THR C . 26593 1 562 . 1 1 54 54 THR CA C 13 60.69 0.1 . 1 . . . . 54 THR CA . 26593 1 563 . 1 1 54 54 THR CB C 13 72.18 0.1 . 1 . . . . 54 THR CB . 26593 1 564 . 1 1 54 54 THR CG2 C 13 21.39 0.1 . 1 . . . . 54 THR CG2 . 26593 1 565 . 1 1 54 54 THR N N 15 120.0 0.1 . 1 . . . . 54 THR N . 26593 1 566 . 1 1 55 55 ALA H H 1 8.623 0.01 . 1 . . . . 55 ALA H . 26593 1 567 . 1 1 55 55 ALA HA H 1 4.69 0.01 . 1 . . . . 55 ALA HA . 26593 1 568 . 1 1 55 55 ALA HB1 H 1 1.21 0.01 . 1 . . . . 55 ALA MB . 26593 1 569 . 1 1 55 55 ALA HB2 H 1 1.21 0.01 . 1 . . . . 55 ALA MB . 26593 1 570 . 1 1 55 55 ALA HB3 H 1 1.21 0.01 . 1 . . . . 55 ALA MB . 26593 1 571 . 1 1 55 55 ALA C C 13 175.2 0.1 . 1 . . . . 55 ALA C . 26593 1 572 . 1 1 55 55 ALA CA C 13 52.43 0.1 . 1 . . . . 55 ALA CA . 26593 1 573 . 1 1 55 55 ALA CB C 13 21.44 0.1 . 1 . . . . 55 ALA CB . 26593 1 574 . 1 1 55 55 ALA N N 15 127.0 0.1 . 1 . . . . 55 ALA N . 26593 1 575 . 1 1 56 56 ASP H H 1 8.661 0.01 . 1 . . . . 56 ASP H . 26593 1 576 . 1 1 56 56 ASP HA H 1 4.45 0.01 . 1 . . . . 56 ASP HA . 26593 1 577 . 1 1 56 56 ASP HB2 H 1 2.71 0.01 . 2 . . . . 56 ASP HB2 . 26593 1 578 . 1 1 56 56 ASP HB3 H 1 2.55 0.01 . 2 . . . . 56 ASP HB3 . 26593 1 579 . 1 1 56 56 ASP C C 13 176.2 0.1 . 1 . . . . 56 ASP C . 26593 1 580 . 1 1 56 56 ASP CA C 13 52.63 0.1 . 1 . . . . 56 ASP CA . 26593 1 581 . 1 1 56 56 ASP CB C 13 41.93 0.1 . 1 . . . . 56 ASP CB . 26593 1 582 . 1 1 56 56 ASP N N 15 123.0 0.1 . 1 . . . . 56 ASP N . 26593 1 583 . 1 1 57 57 GLY H H 1 8.852 0.01 . 1 . . . . 57 GLY H . 26593 1 584 . 1 1 57 57 GLY HA2 H 1 3.69 0.01 . 2 . . . . 57 GLY HA2 . 26593 1 585 . 1 1 57 57 GLY HA3 H 1 3.69 0.01 . 2 . . . . 57 GLY HA3 . 26593 1 586 . 1 1 57 57 GLY C C 13 176.4 0.1 . 1 . . . . 57 GLY C . 26593 1 587 . 1 1 57 57 GLY CA C 13 47.35 0.1 . 1 . . . . 57 GLY CA . 26593 1 588 . 1 1 57 57 GLY N N 15 114.1 0.1 . 1 . . . . 57 GLY N . 26593 1 589 . 1 1 58 58 SER H H 1 8.231 0.01 . 1 . . . . 58 SER H . 26593 1 590 . 1 1 58 58 SER HA H 1 4.33 0.01 . 1 . . . . 58 SER HA . 26593 1 591 . 1 1 58 58 SER HB2 H 1 3.77 0.01 . 2 . . . . 58 SER HB2 . 26593 1 592 . 1 1 58 58 SER HB3 H 1 3.77 0.01 . 2 . . . . 58 SER HB3 . 26593 1 593 . 1 1 58 58 SER C C 13 174.1 0.1 . 1 . . . . 58 SER C . 26593 1 594 . 1 1 58 58 SER CA C 13 59.01 0.1 . 1 . . . . 58 SER CA . 26593 1 595 . 1 1 58 58 SER CB C 13 63.95 0.1 . 1 . . . . 58 SER CB . 26593 1 596 . 1 1 58 58 SER N N 15 115.9 0.1 . 1 . . . . 58 SER N . 26593 1 597 . 1 1 59 59 HIS H H 1 8.14 0.01 . 1 . . . . 59 HIS H . 26593 1 598 . 1 1 59 59 HIS HA H 1 5.12 0.01 . 1 . . . . 59 HIS HA . 26593 1 599 . 1 1 59 59 HIS HB2 H 1 3.28 0.01 . 2 . . . . 59 HIS HB2 . 26593 1 600 . 1 1 59 59 HIS HB3 H 1 3.28 0.01 . 2 . . . . 59 HIS HB3 . 26593 1 601 . 1 1 59 59 HIS C C 13 173.4 0.1 . 1 . . . . 59 HIS C . 26593 1 602 . 1 1 59 59 HIS CA C 13 56.48 0.1 . 1 . . . . 59 HIS CA . 26593 1 603 . 1 1 59 59 HIS CB C 13 30.38 0.1 . 1 . . . . 59 HIS CB . 26593 1 604 . 1 1 59 59 HIS N N 15 122.6 0.1 . 1 . . . . 59 HIS N . 26593 1 605 . 1 1 60 60 GLN H H 1 8.759 0.01 . 1 . . . . 60 GLN H . 26593 1 606 . 1 1 60 60 GLN HA H 1 4.92 0.01 . 1 . . . . 60 GLN HA . 26593 1 607 . 1 1 60 60 GLN HB2 H 1 2.81 0.01 . 2 . . . . 60 GLN HB2 . 26593 1 608 . 1 1 60 60 GLN HB3 H 1 3.39 0.01 . 2 . . . . 60 GLN HB3 . 26593 1 609 . 1 1 60 60 GLN C C 13 174.1 0.1 . 1 . . . . 60 GLN C . 26593 1 610 . 1 1 60 60 GLN CA C 13 56.62 0.1 . 1 . . . . 60 GLN CA . 26593 1 611 . 1 1 60 60 GLN CB C 13 36.06 0.1 . 1 . . . . 60 GLN CB . 26593 1 612 . 1 1 60 60 GLN N N 15 126.0 0.1 . 1 . . . . 60 GLN N . 26593 1 613 . 1 1 61 61 ALA H H 1 8.916 0.01 . 1 . . . . 61 ALA H . 26593 1 614 . 1 1 61 61 ALA HA H 1 5.52 0.01 . 1 . . . . 61 ALA HA . 26593 1 615 . 1 1 61 61 ALA HB1 H 1 1.23 0.01 . 1 . . . . 61 ALA MB . 26593 1 616 . 1 1 61 61 ALA HB2 H 1 1.23 0.01 . 1 . . . . 61 ALA MB . 26593 1 617 . 1 1 61 61 ALA HB3 H 1 1.23 0.01 . 1 . . . . 61 ALA MB . 26593 1 618 . 1 1 61 61 ALA C C 13 172.9 0.1 . 1 . . . . 61 ALA C . 26593 1 619 . 1 1 61 61 ALA CA C 13 51.54 0.1 . 1 . . . . 61 ALA CA . 26593 1 620 . 1 1 61 61 ALA CB C 13 23.31 0.1 . 1 . . . . 61 ALA CB . 26593 1 621 . 1 1 61 61 ALA N N 15 124.6 0.1 . 1 . . . . 61 ALA N . 26593 1 622 . 1 1 62 62 LEU H H 1 8.516 0.01 . 1 . . . . 62 LEU H . 26593 1 623 . 1 1 62 62 LEU HA H 1 4.422 0.01 . 1 . . . . 62 LEU HA . 26593 1 624 . 1 1 62 62 LEU HB2 H 1 1.42 0.01 . 2 . . . . 62 LEU HB2 . 26593 1 625 . 1 1 62 62 LEU HB3 H 1 1.69 0.01 . 2 . . . . 62 LEU HB3 . 26593 1 626 . 1 1 62 62 LEU HG H 1 1.8 0.01 . 1 . . . . 62 LEU HG . 26593 1 627 . 1 1 62 62 LEU HD11 H 1 0.77 0.01 . 2 . . . . 62 LEU MD1 . 26593 1 628 . 1 1 62 62 LEU HD12 H 1 0.77 0.01 . 2 . . . . 62 LEU MD1 . 26593 1 629 . 1 1 62 62 LEU HD13 H 1 0.77 0.01 . 2 . . . . 62 LEU MD1 . 26593 1 630 . 1 1 62 62 LEU HD21 H 1 0.77 0.01 . 2 . . . . 62 LEU MD2 . 26593 1 631 . 1 1 62 62 LEU HD22 H 1 0.77 0.01 . 2 . . . . 62 LEU MD2 . 26593 1 632 . 1 1 62 62 LEU HD23 H 1 0.77 0.01 . 2 . . . . 62 LEU MD2 . 26593 1 633 . 1 1 62 62 LEU C C 13 174.2 0.1 . 1 . . . . 62 LEU C . 26593 1 634 . 1 1 62 62 LEU CA C 13 53.24 0.1 . 1 . . . . 62 LEU CA . 26593 1 635 . 1 1 62 62 LEU CB C 13 42.92 0.1 . 1 . . . . 62 LEU CB . 26593 1 636 . 1 1 62 62 LEU CG C 13 26.88 0.1 . 1 . . . . 62 LEU CG . 26593 1 637 . 1 1 62 62 LEU N N 15 122.9 0.1 . 1 . . . . 62 LEU N . 26593 1 638 . 1 1 63 63 LEU H H 1 9.006 0.01 . 1 . . . . 63 LEU H . 26593 1 639 . 1 1 63 63 LEU HA H 1 5.073 0.01 . 1 . . . . 63 LEU HA . 26593 1 640 . 1 1 63 63 LEU HB2 H 1 1.45 0.01 . 2 . . . . 63 LEU HB2 . 26593 1 641 . 1 1 63 63 LEU HB3 H 1 1.7 0.01 . 2 . . . . 63 LEU HB3 . 26593 1 642 . 1 1 63 63 LEU HD11 H 1 0.74 0.01 . 2 . . . . 63 LEU MD1 . 26593 1 643 . 1 1 63 63 LEU HD12 H 1 0.74 0.01 . 2 . . . . 63 LEU MD1 . 26593 1 644 . 1 1 63 63 LEU HD13 H 1 0.74 0.01 . 2 . . . . 63 LEU MD1 . 26593 1 645 . 1 1 63 63 LEU HD21 H 1 0.28 0.01 . 2 . . . . 63 LEU MD2 . 26593 1 646 . 1 1 63 63 LEU HD22 H 1 0.28 0.01 . 2 . . . . 63 LEU MD2 . 26593 1 647 . 1 1 63 63 LEU HD23 H 1 0.28 0.01 . 2 . . . . 63 LEU MD2 . 26593 1 648 . 1 1 63 63 LEU C C 13 174.4 0.1 . 1 . . . . 63 LEU C . 26593 1 649 . 1 1 63 63 LEU CA C 13 53.74 0.1 . 1 . . . . 63 LEU CA . 26593 1 650 . 1 1 63 63 LEU CB C 13 45.16 0.1 . 1 . . . . 63 LEU CB . 26593 1 651 . 1 1 63 63 LEU CG C 13 27.66 0.1 . 1 . . . . 63 LEU CG . 26593 1 652 . 1 1 63 63 LEU CD1 C 13 25.18 0.1 . 2 . . . . 63 LEU CD1 . 26593 1 653 . 1 1 63 63 LEU CD2 C 13 24.77 0.1 . 2 . . . . 63 LEU CD2 . 26593 1 654 . 1 1 63 63 LEU N N 15 128.0 0.1 . 1 . . . . 63 LEU N . 26593 1 655 . 1 1 64 64 LEU H H 1 9.006 0.01 . 1 . . . . 64 LEU H . 26593 1 656 . 1 1 64 64 LEU HA H 1 4.256 0.01 . 1 . . . . 64 LEU HA . 26593 1 657 . 1 1 64 64 LEU HB2 H 1 1.429 0.01 . 2 . . . . 64 LEU HB2 . 26593 1 658 . 1 1 64 64 LEU HB3 H 1 1.429 0.01 . 2 . . . . 64 LEU HB3 . 26593 1 659 . 1 1 64 64 LEU HG H 1 0.72 0.01 . 1 . . . . 64 LEU HG . 26593 1 660 . 1 1 64 64 LEU HD11 H 1 0.5 0.01 . 2 . . . . 64 LEU MD1 . 26593 1 661 . 1 1 64 64 LEU HD12 H 1 0.5 0.01 . 2 . . . . 64 LEU MD1 . 26593 1 662 . 1 1 64 64 LEU HD13 H 1 0.5 0.01 . 2 . . . . 64 LEU MD1 . 26593 1 663 . 1 1 64 64 LEU HD21 H 1 0.19 0.01 . 2 . . . . 64 LEU MD2 . 26593 1 664 . 1 1 64 64 LEU HD22 H 1 0.19 0.01 . 2 . . . . 64 LEU MD2 . 26593 1 665 . 1 1 64 64 LEU HD23 H 1 0.19 0.01 . 2 . . . . 64 LEU MD2 . 26593 1 666 . 1 1 64 64 LEU C C 13 175.6 0.1 . 1 . . . . 64 LEU C . 26593 1 667 . 1 1 64 64 LEU CA C 13 52.55 0.1 . 1 . . . . 64 LEU CA . 26593 1 668 . 1 1 64 64 LEU CB C 13 43.06 0.1 . 1 . . . . 64 LEU CB . 26593 1 669 . 1 1 64 64 LEU N N 15 128.8 0.1 . 1 . . . . 64 LEU N . 26593 1 670 . 1 1 65 65 ARG H H 1 7.908 0.01 . 1 . . . . 65 ARG H . 26593 1 671 . 1 1 65 65 ARG HA H 1 3.789 0.01 . 1 . . . . 65 ARG HA . 26593 1 672 . 1 1 65 65 ARG HB2 H 1 1.7 0.01 . 2 . . . . 65 ARG HB2 . 26593 1 673 . 1 1 65 65 ARG HB3 H 1 1.7 0.01 . 2 . . . . 65 ARG HB3 . 26593 1 674 . 1 1 65 65 ARG HG2 H 1 2.47 0.01 . 2 . . . . 65 ARG HG2 . 26593 1 675 . 1 1 65 65 ARG HG3 H 1 2.47 0.01 . 2 . . . . 65 ARG HG3 . 26593 1 676 . 1 1 65 65 ARG HD2 H 1 3.14 0.01 . 2 . . . . 65 ARG HD2 . 26593 1 677 . 1 1 65 65 ARG HD3 H 1 3.14 0.01 . 2 . . . . 65 ARG HD3 . 26593 1 678 . 1 1 65 65 ARG C C 13 176 0.1 . 1 . . . . 65 ARG C . 26593 1 679 . 1 1 65 65 ARG CA C 13 59.74 0.1 . 1 . . . . 65 ARG CA . 26593 1 680 . 1 1 65 65 ARG CB C 13 29.86 0.1 . 1 . . . . 65 ARG CB . 26593 1 681 . 1 1 65 65 ARG CG C 13 27.49 0.1 . 1 . . . . 65 ARG CG . 26593 1 682 . 1 1 65 65 ARG CD C 13 42.9 0.1 . 1 . . . . 65 ARG CD . 26593 1 683 . 1 1 65 65 ARG N N 15 125.0 0.1 . 1 . . . . 65 ARG N . 26593 1 684 . 1 1 66 66 SER H H 1 7.117 0.01 . 1 . . . . 66 SER H . 26593 1 685 . 1 1 66 66 SER HA H 1 3.882 0.01 . 1 . . . . 66 SER HA . 26593 1 686 . 1 1 66 66 SER HB2 H 1 3.541 0.01 . 2 . . . . 66 SER HB2 . 26593 1 687 . 1 1 66 66 SER HB3 H 1 3.541 0.01 . 2 . . . . 66 SER HB3 . 26593 1 688 . 1 1 66 66 SER C C 13 173.5 0.1 . 1 . . . . 66 SER C . 26593 1 689 . 1 1 66 66 SER CA C 13 56.45 0.1 . 1 . . . . 66 SER CA . 26593 1 690 . 1 1 66 66 SER CB C 13 62.22 0.1 . 1 . . . . 66 SER CB . 26593 1 691 . 1 1 66 66 SER N N 15 110.4 0.1 . 1 . . . . 66 SER N . 26593 1 692 . 1 1 67 67 ALA H H 1 8.918 0.01 . 1 . . . . 67 ALA H . 26593 1 693 . 1 1 67 67 ALA HA H 1 4.15 0.01 . 1 . . . . 67 ALA HA . 26593 1 694 . 1 1 67 67 ALA HB1 H 1 1.128 0.01 . 1 . . . . 67 ALA MB . 26593 1 695 . 1 1 67 67 ALA HB2 H 1 1.128 0.01 . 1 . . . . 67 ALA MB . 26593 1 696 . 1 1 67 67 ALA HB3 H 1 1.128 0.01 . 1 . . . . 67 ALA MB . 26593 1 697 . 1 1 67 67 ALA C C 13 176.8 0.1 . 1 . . . . 67 ALA C . 26593 1 698 . 1 1 67 67 ALA CA C 13 53.2 0.1 . 1 . . . . 67 ALA CA . 26593 1 699 . 1 1 67 67 ALA CB C 13 19.88 0.1 . 1 . . . . 67 ALA CB . 26593 1 700 . 1 1 67 67 ALA N N 15 129.9 0.1 . 1 . . . . 67 ALA N . 26593 1 701 . 1 1 68 68 GLN H H 1 11.48 0.01 . 1 . . . . 68 GLN H . 26593 1 702 . 1 1 68 68 GLN HA H 1 4.52 0.01 . 1 . . . . 68 GLN HA . 26593 1 703 . 1 1 68 68 GLN HB2 H 1 2.04 0.01 . 2 . . . . 68 GLN HB2 . 26593 1 704 . 1 1 68 68 GLN HB3 H 1 2.04 0.01 . 2 . . . . 68 GLN HB3 . 26593 1 705 . 1 1 68 68 GLN CA C 13 52.66 0.1 . 1 . . . . 68 GLN CA . 26593 1 706 . 1 1 68 68 GLN CB C 13 29.16 0.1 . 1 . . . . 68 GLN CB . 26593 1 707 . 1 1 68 68 GLN CG C 13 19.88 0.1 . 1 . . . . 68 GLN CG . 26593 1 708 . 1 1 68 68 GLN N N 15 125.9 0.1 . 1 . . . . 68 GLN N . 26593 1 709 . 1 1 69 69 PRO HA H 1 4.6 0.01 . 1 . . . . 69 PRO HA . 26593 1 710 . 1 1 69 69 PRO HB2 H 1 2.61 0.01 . 2 . . . . 69 PRO HB2 . 26593 1 711 . 1 1 70 70 HIS H H 1 7.981 0.01 . 1 . . . . 70 HIS H . 26593 1 712 . 1 1 70 70 HIS HA H 1 4.693 0.01 . 1 . . . . 70 HIS HA . 26593 1 713 . 1 1 70 70 HIS HB2 H 1 3.3 0.01 . 2 . . . . 70 HIS HB2 . 26593 1 714 . 1 1 70 70 HIS HB3 H 1 3.3 0.01 . 2 . . . . 70 HIS HB3 . 26593 1 715 . 1 1 70 70 HIS C C 13 176.2 0.1 . 1 . . . . 70 HIS C . 26593 1 716 . 1 1 70 70 HIS CA C 13 57.37 0.1 . 1 . . . . 70 HIS CA . 26593 1 717 . 1 1 70 70 HIS CB C 13 29.16 0.1 . 1 . . . . 70 HIS CB . 26593 1 718 . 1 1 70 70 HIS N N 15 121.6 0.1 . 1 . . . . 70 HIS N . 26593 1 719 . 1 1 71 71 HIS H H 1 7.942 0.01 . 1 . . . . 71 HIS H . 26593 1 720 . 1 1 71 71 HIS HA H 1 4.542 0.01 . 1 . . . . 71 HIS HA . 26593 1 721 . 1 1 71 71 HIS HB2 H 1 2.938 0.01 . 2 . . . . 71 HIS HB2 . 26593 1 722 . 1 1 71 71 HIS HB3 H 1 2.938 0.01 . 2 . . . . 71 HIS HB3 . 26593 1 723 . 1 1 71 71 HIS C C 13 173.1 0.1 . 1 . . . . 71 HIS C . 26593 1 724 . 1 1 71 71 HIS CA C 13 58.51 0.1 . 1 . . . . 71 HIS CA . 26593 1 725 . 1 1 71 71 HIS CB C 13 32.79 0.1 . 1 . . . . 71 HIS CB . 26593 1 726 . 1 1 71 71 HIS N N 15 122.2 0.1 . 1 . . . . 71 HIS N . 26593 1 727 . 1 1 72 72 ALA H H 1 6.784 0.01 . 1 . . . . 72 ALA H . 26593 1 728 . 1 1 72 72 ALA HA H 1 3.879 0.01 . 1 . . . . 72 ALA HA . 26593 1 729 . 1 1 72 72 ALA HB1 H 1 1.608 0.01 . 1 . . . . 72 ALA MB . 26593 1 730 . 1 1 72 72 ALA HB2 H 1 1.608 0.01 . 1 . . . . 72 ALA MB . 26593 1 731 . 1 1 72 72 ALA HB3 H 1 1.608 0.01 . 1 . . . . 72 ALA MB . 26593 1 732 . 1 1 72 72 ALA C C 13 177.5 0.1 . 1 . . . . 72 ALA C . 26593 1 733 . 1 1 72 72 ALA CA C 13 52.77 0.1 . 1 . . . . 72 ALA CA . 26593 1 734 . 1 1 72 72 ALA CB C 13 20.28 0.1 . 1 . . . . 72 ALA CB . 26593 1 735 . 1 1 72 72 ALA N N 15 114.2 0.1 . 1 . . . . 72 ALA N . 26593 1 736 . 1 1 73 73 GLY H H 1 5.141 0.01 . 1 . . . . 73 GLY H . 26593 1 737 . 1 1 73 73 GLY HA2 H 1 5.141 0.01 . 2 . . . . 73 GLY HA2 . 26593 1 738 . 1 1 73 73 GLY HA3 H 1 5.141 0.01 . 2 . . . . 73 GLY HA3 . 26593 1 739 . 1 1 73 73 GLY C C 13 177.5 0.1 . 1 . . . . 73 GLY C . 26593 1 740 . 1 1 73 73 GLY CA C 13 45.18 0.1 . 1 . . . . 73 GLY CA . 26593 1 741 . 1 1 73 73 GLY N N 15 107.9 0.1 . 1 . . . . 73 GLY N . 26593 1 742 . 1 1 74 74 GLU H H 1 8.268 0.01 . 1 . . . . 74 GLU H . 26593 1 743 . 1 1 74 74 GLU HA H 1 4.52 0.01 . 1 . . . . 74 GLU HA . 26593 1 744 . 1 1 74 74 GLU HB2 H 1 1.87 0.01 . 2 . . . . 74 GLU HB2 . 26593 1 745 . 1 1 74 74 GLU HB3 H 1 1.87 0.01 . 2 . . . . 74 GLU HB3 . 26593 1 746 . 1 1 74 74 GLU HG2 H 1 2.02 0.01 . 2 . . . . 74 GLU HG2 . 26593 1 747 . 1 1 74 74 GLU HG3 H 1 2.02 0.01 . 2 . . . . 74 GLU HG3 . 26593 1 748 . 1 1 74 74 GLU C C 13 174.9 0.1 . 1 . . . . 74 GLU C . 26593 1 749 . 1 1 74 74 GLU CA C 13 55.93 0.1 . 1 . . . . 74 GLU CA . 26593 1 750 . 1 1 74 74 GLU CB C 13 32.4 0.1 . 1 . . . . 74 GLU CB . 26593 1 751 . 1 1 74 74 GLU CG C 13 40.7 0.1 . 1 . . . . 74 GLU CG . 26593 1 752 . 1 1 74 74 GLU N N 15 122.6 0.1 . 1 . . . . 74 GLU N . 26593 1 753 . 1 1 75 75 VAL H H 1 9.261 0.01 . 1 . . . . 75 VAL H . 26593 1 754 . 1 1 75 75 VAL HA H 1 4.699 0.01 . 1 . . . . 75 VAL HA . 26593 1 755 . 1 1 75 75 VAL HB H 1 1.23 0.01 . 1 . . . . 75 VAL HB . 26593 1 756 . 1 1 75 75 VAL HG11 H 1 1.23 0.01 . 2 . . . . 75 VAL MG1 . 26593 1 757 . 1 1 75 75 VAL HG12 H 1 1.23 0.01 . 2 . . . . 75 VAL MG1 . 26593 1 758 . 1 1 75 75 VAL HG13 H 1 1.23 0.01 . 2 . . . . 75 VAL MG1 . 26593 1 759 . 1 1 75 75 VAL HG21 H 1 0.42 0.01 . 2 . . . . 75 VAL MG2 . 26593 1 760 . 1 1 75 75 VAL HG22 H 1 0.42 0.01 . 2 . . . . 75 VAL MG2 . 26593 1 761 . 1 1 75 75 VAL HG23 H 1 0.42 0.01 . 2 . . . . 75 VAL MG2 . 26593 1 762 . 1 1 75 75 VAL C C 13 174.8 0.1 . 1 . . . . 75 VAL C . 26593 1 763 . 1 1 75 75 VAL CA C 13 61.08 0.1 . 1 . . . . 75 VAL CA . 26593 1 764 . 1 1 75 75 VAL CB C 13 33.52 0.1 . 1 . . . . 75 VAL CB . 26593 1 765 . 1 1 75 75 VAL CG1 C 13 20.32 0.1 . 2 . . . . 75 VAL CG1 . 26593 1 766 . 1 1 75 75 VAL CG2 C 13 20.32 0.1 . 2 . . . . 75 VAL CG2 . 26593 1 767 . 1 1 75 75 VAL N N 15 131.8 0.1 . 1 . . . . 75 VAL N . 26593 1 768 . 1 1 76 76 THR H H 1 9.121 0.01 . 1 . . . . 76 THR H . 26593 1 769 . 1 1 76 76 THR HA H 1 5.18 0.01 . 1 . . . . 76 THR HA . 26593 1 770 . 1 1 76 76 THR HB H 1 3.78 0.01 . 1 . . . . 76 THR HB . 26593 1 771 . 1 1 76 76 THR HG21 H 1 0.96 0.01 . 1 . . . . 76 THR MG . 26593 1 772 . 1 1 76 76 THR HG22 H 1 0.96 0.01 . 1 . . . . 76 THR MG . 26593 1 773 . 1 1 76 76 THR HG23 H 1 0.96 0.01 . 1 . . . . 76 THR MG . 26593 1 774 . 1 1 76 76 THR C C 13 183.7 0.1 . 1 . . . . 76 THR C . 26593 1 775 . 1 1 76 76 THR CA C 13 5.18 0.1 . 1 . . . . 76 THR CA . 26593 1 776 . 1 1 76 76 THR CB C 13 72.23 0.1 . 1 . . . . 76 THR CB . 26593 1 777 . 1 1 76 76 THR CG2 C 13 22.04 0.1 . 1 . . . . 76 THR CG2 . 26593 1 778 . 1 1 76 76 THR N N 15 121.4 0.1 . 1 . . . . 76 THR N . 26593 1 779 . 1 1 77 77 PHE H H 1 9.086 0.01 . 1 . . . . 77 PHE H . 26593 1 780 . 1 1 77 77 PHE HA H 1 4.54 0.01 . 1 . . . . 77 PHE HA . 26593 1 781 . 1 1 77 77 PHE HB2 H 1 2.161 0.01 . 2 . . . . 77 PHE HB2 . 26593 1 782 . 1 1 77 77 PHE HB3 H 1 2.161 0.01 . 2 . . . . 77 PHE HB3 . 26593 1 783 . 1 1 77 77 PHE C C 13 184.3 0.1 . 1 . . . . 77 PHE C . 26593 1 784 . 1 1 77 77 PHE CA C 13 56.09 0.1 . 1 . . . . 77 PHE CA . 26593 1 785 . 1 1 77 77 PHE CB C 13 2.161 0.1 . 1 . . . . 77 PHE CB . 26593 1 786 . 1 1 77 77 PHE N N 15 127.6 0.1 . 1 . . . . 77 PHE N . 26593 1 787 . 1 1 78 78 ALA H H 1 8.035 0.01 . 1 . . . . 78 ALA H . 26593 1 788 . 1 1 78 78 ALA HA H 1 4.776 0.01 . 1 . . . . 78 ALA HA . 26593 1 789 . 1 1 78 78 ALA HB1 H 1 1.09 0.01 . 1 . . . . 78 ALA MB . 26593 1 790 . 1 1 78 78 ALA HB2 H 1 1.09 0.01 . 1 . . . . 78 ALA MB . 26593 1 791 . 1 1 78 78 ALA HB3 H 1 1.09 0.01 . 1 . . . . 78 ALA MB . 26593 1 792 . 1 1 78 78 ALA C C 13 175.6 0.1 . 1 . . . . 78 ALA C . 26593 1 793 . 1 1 78 78 ALA CA C 13 50.14 0.1 . 1 . . . . 78 ALA CA . 26593 1 794 . 1 1 78 78 ALA CB C 13 1.09 0.1 . 1 . . . . 78 ALA CB . 26593 1 795 . 1 1 78 78 ALA N N 15 127.7 0.1 . 1 . . . . 78 ALA N . 26593 1 796 . 1 1 79 79 CYS H H 1 9.287 0.01 . 1 . . . . 79 CYS H . 26593 1 797 . 1 1 79 79 CYS HA H 1 3.748 0.01 . 1 . . . . 79 CYS HA . 26593 1 798 . 1 1 79 79 CYS HB2 H 1 2.94 0.01 . 2 . . . . 79 CYS HB2 . 26593 1 799 . 1 1 79 79 CYS HB3 H 1 3.21 0.01 . 2 . . . . 79 CYS HB3 . 26593 1 800 . 1 1 79 79 CYS C C 13 175.7 0.1 . 1 . . . . 79 CYS C . 26593 1 801 . 1 1 79 79 CYS CA C 13 51.8 0.1 . 1 . . . . 79 CYS CA . 26593 1 802 . 1 1 79 79 CYS CB C 13 31.41 0.1 . 1 . . . . 79 CYS CB . 26593 1 803 . 1 1 79 79 CYS N N 15 125.9 0.1 . 1 . . . . 79 CYS N . 26593 1 804 . 1 1 80 80 ARG HA H 1 4.35 0.01 . 1 . . . . 80 ARG HA . 26593 1 805 . 1 1 80 80 ARG HB2 H 1 1.51 0.01 . 2 . . . . 80 ARG HB2 . 26593 1 806 . 1 1 80 80 ARG HB3 H 1 1.51 0.01 . 2 . . . . 80 ARG HB3 . 26593 1 807 . 1 1 80 80 ARG HG2 H 1 1.76 0.01 . 2 . . . . 80 ARG HG2 . 26593 1 808 . 1 1 80 80 ARG HG3 H 1 1.76 0.01 . 2 . . . . 80 ARG HG3 . 26593 1 809 . 1 1 80 80 ARG HD2 H 1 3.05 0.01 . 2 . . . . 80 ARG HD2 . 26593 1 810 . 1 1 80 80 ARG HD3 H 1 3.05 0.01 . 2 . . . . 80 ARG HD3 . 26593 1 811 . 1 1 80 80 ARG CA C 13 56.3 0.1 . 1 . . . . 80 ARG CA . 26593 1 812 . 1 1 80 80 ARG CB C 13 31 0.1 . 1 . . . . 80 ARG CB . 26593 1 813 . 1 1 80 80 ARG CG C 13 27.4 0.1 . 1 . . . . 80 ARG CG . 26593 1 814 . 1 1 80 80 ARG CD C 13 44 0.1 . 1 . . . . 80 ARG CD . 26593 1 815 . 1 1 81 81 ASP H H 1 8.832 0.01 . 1 . . . . 81 ASP H . 26593 1 816 . 1 1 81 81 ASP HA H 1 4.12 0.01 . 1 . . . . 81 ASP HA . 26593 1 817 . 1 1 81 81 ASP HB2 H 1 2.74 0.01 . 2 . . . . 81 ASP HB2 . 26593 1 818 . 1 1 81 81 ASP HB3 H 1 2.35 0.01 . 2 . . . . 81 ASP HB3 . 26593 1 819 . 1 1 81 81 ASP CA C 13 55.17 0.1 . 1 . . . . 81 ASP CA . 26593 1 820 . 1 1 81 81 ASP CB C 13 43.25 0.1 . 1 . . . . 81 ASP CB . 26593 1 821 . 1 1 81 81 ASP N N 15 127.7 0.1 . 1 . . . . 81 ASP N . 26593 1 822 . 1 1 82 82 ALA H H 1 8.638 0.01 . 1 . . . . 82 ALA H . 26593 1 823 . 1 1 82 82 ALA HA H 1 4.32 0.01 . 1 . . . . 82 ALA HA . 26593 1 824 . 1 1 82 82 ALA HB1 H 1 1.35 0.01 . 1 . . . . 82 ALA MB . 26593 1 825 . 1 1 82 82 ALA HB2 H 1 1.35 0.01 . 1 . . . . 82 ALA MB . 26593 1 826 . 1 1 82 82 ALA HB3 H 1 1.35 0.01 . 1 . . . . 82 ALA MB . 26593 1 827 . 1 1 82 82 ALA C C 13 177.3 0.1 . 1 . . . . 82 ALA C . 26593 1 828 . 1 1 82 82 ALA CA C 13 52.42 0.1 . 1 . . . . 82 ALA CA . 26593 1 829 . 1 1 82 82 ALA CB C 13 19.17 0.1 . 1 . . . . 82 ALA CB . 26593 1 830 . 1 1 82 82 ALA N N 15 130.1 0.1 . 1 . . . . 82 ALA N . 26593 1 831 . 1 1 83 83 VAL H H 1 8.026 0.01 . 1 . . . . 83 VAL H . 26593 1 832 . 1 1 83 83 VAL HA H 1 4.332 0.01 . 1 . . . . 83 VAL HA . 26593 1 833 . 1 1 83 83 VAL HB H 1 1.573 0.01 . 1 . . . . 83 VAL HB . 26593 1 834 . 1 1 83 83 VAL HG11 H 1 0.899 0.01 . 2 . . . . 83 VAL MG1 . 26593 1 835 . 1 1 83 83 VAL HG12 H 1 0.899 0.01 . 2 . . . . 83 VAL MG1 . 26593 1 836 . 1 1 83 83 VAL HG13 H 1 0.899 0.01 . 2 . . . . 83 VAL MG1 . 26593 1 837 . 1 1 83 83 VAL HG21 H 1 0.899 0.01 . 2 . . . . 83 VAL MG2 . 26593 1 838 . 1 1 83 83 VAL HG22 H 1 0.899 0.01 . 2 . . . . 83 VAL MG2 . 26593 1 839 . 1 1 83 83 VAL HG23 H 1 0.899 0.01 . 2 . . . . 83 VAL MG2 . 26593 1 840 . 1 1 83 83 VAL C C 13 174.4 0.1 . 1 . . . . 83 VAL C . 26593 1 841 . 1 1 83 83 VAL CB C 13 32.59 0.1 . 1 . . . . 83 VAL CB . 26593 1 842 . 1 1 83 83 VAL CG1 C 13 22.22 0.1 . 2 . . . . 83 VAL CG1 . 26593 1 843 . 1 1 83 83 VAL CG2 C 13 22.22 0.1 . 2 . . . . 83 VAL CG2 . 26593 1 844 . 1 1 83 83 VAL N N 15 121.1 0.1 . 1 . . . . 83 VAL N . 26593 1 845 . 1 1 84 84 ALA H H 1 9.102 0.01 . 1 . . . . 84 ALA H . 26593 1 846 . 1 1 84 84 ALA HA H 1 4.54 0.01 . 1 . . . . 84 ALA HA . 26593 1 847 . 1 1 84 84 ALA HB1 H 1 1.507 0.01 . 1 . . . . 84 ALA MB . 26593 1 848 . 1 1 84 84 ALA HB2 H 1 1.507 0.01 . 1 . . . . 84 ALA MB . 26593 1 849 . 1 1 84 84 ALA HB3 H 1 1.507 0.01 . 1 . . . . 84 ALA MB . 26593 1 850 . 1 1 84 84 ALA C C 13 174.6 0.1 . 1 . . . . 84 ALA C . 26593 1 851 . 1 1 84 84 ALA CA C 13 51.47 0.1 . 1 . . . . 84 ALA CA . 26593 1 852 . 1 1 84 84 ALA CB C 13 1.507 0.1 . 1 . . . . 84 ALA CB . 26593 1 853 . 1 1 84 84 ALA N N 15 127.7 0.1 . 1 . . . . 84 ALA N . 26593 1 854 . 1 1 85 85 SER H H 1 8.437 0.01 . 1 . . . . 85 SER H . 26593 1 855 . 1 1 85 85 SER HA H 1 5.83 0.01 . 1 . . . . 85 SER HA . 26593 1 856 . 1 1 85 85 SER HB2 H 1 3.726 0.01 . 2 . . . . 85 SER HB2 . 26593 1 857 . 1 1 85 85 SER HB3 H 1 3.726 0.01 . 2 . . . . 85 SER HB3 . 26593 1 858 . 1 1 85 85 SER C C 13 173 0.1 . 1 . . . . 85 SER C . 26593 1 859 . 1 1 85 85 SER CA C 13 57.2 0.1 . 1 . . . . 85 SER CA . 26593 1 860 . 1 1 85 85 SER CB C 13 67.35 0.1 . 1 . . . . 85 SER CB . 26593 1 861 . 1 1 85 85 SER N N 15 113.5 0.1 . 1 . . . . 85 SER N . 26593 1 862 . 1 1 86 86 ALA H H 1 9.42 0.01 . 1 . . . . 86 ALA H . 26593 1 863 . 1 1 86 86 ALA HA H 1 4.656 0.01 . 1 . . . . 86 ALA HA . 26593 1 864 . 1 1 86 86 ALA HB1 H 1 1.417 0.01 . 1 . . . . 86 ALA MB . 26593 1 865 . 1 1 86 86 ALA HB2 H 1 1.417 0.01 . 1 . . . . 86 ALA MB . 26593 1 866 . 1 1 86 86 ALA HB3 H 1 1.417 0.01 . 1 . . . . 86 ALA MB . 26593 1 867 . 1 1 86 86 ALA C C 13 174.3 0.1 . 1 . . . . 86 ALA C . 26593 1 868 . 1 1 86 86 ALA CA C 13 51.72 0.1 . 1 . . . . 86 ALA CA . 26593 1 869 . 1 1 86 86 ALA CB C 13 23.18 0.1 . 1 . . . . 86 ALA CB . 26593 1 870 . 1 1 86 86 ALA N N 15 124.9 0.1 . 1 . . . . 86 ALA N . 26593 1 871 . 1 1 87 87 ARG H H 1 8.742 0.01 . 1 . . . . 87 ARG H . 26593 1 872 . 1 1 87 87 ARG HA H 1 5.159 0.01 . 1 . . . . 87 ARG HA . 26593 1 873 . 1 1 87 87 ARG HB2 H 1 1.685 0.01 . 2 . . . . 87 ARG HB2 . 26593 1 874 . 1 1 87 87 ARG HB3 H 1 1.685 0.01 . 2 . . . . 87 ARG HB3 . 26593 1 875 . 1 1 87 87 ARG HD2 H 1 3.168 0.01 . 2 . . . . 87 ARG HD2 . 26593 1 876 . 1 1 87 87 ARG HD3 H 1 3.168 0.01 . 2 . . . . 87 ARG HD3 . 26593 1 877 . 1 1 87 87 ARG C C 13 175 0.1 . 1 . . . . 87 ARG C . 26593 1 878 . 1 1 87 87 ARG CA C 13 54.9 0.1 . 1 . . . . 87 ARG CA . 26593 1 879 . 1 1 87 87 ARG CB C 13 32.74 0.1 . 1 . . . . 87 ARG CB . 26593 1 880 . 1 1 87 87 ARG CG C 13 27.2 0.1 . 1 . . . . 87 ARG CG . 26593 1 881 . 1 1 87 87 ARG CD C 13 42.67 0.1 . 1 . . . . 87 ARG CD . 26593 1 882 . 1 1 87 87 ARG N N 15 118.4 0.1 . 1 . . . . 87 ARG N . 26593 1 883 . 1 1 88 88 LEU H H 1 9.28 0.01 . 1 . . . . 88 LEU H . 26593 1 884 . 1 1 88 88 LEU HA H 1 5.564 0.01 . 1 . . . . 88 LEU HA . 26593 1 885 . 1 1 88 88 LEU HB2 H 1 2.124 0.01 . 2 . . . . 88 LEU HB2 . 26593 1 886 . 1 1 88 88 LEU HB3 H 1 2.124 0.01 . 2 . . . . 88 LEU HB3 . 26593 1 887 . 1 1 88 88 LEU HG H 1 0.9 0.01 . 1 . . . . 88 LEU HG . 26593 1 888 . 1 1 88 88 LEU HD11 H 1 0.698 0.01 . 2 . . . . 88 LEU MD1 . 26593 1 889 . 1 1 88 88 LEU HD12 H 1 0.698 0.01 . 2 . . . . 88 LEU MD1 . 26593 1 890 . 1 1 88 88 LEU HD13 H 1 0.698 0.01 . 2 . . . . 88 LEU MD1 . 26593 1 891 . 1 1 88 88 LEU HD21 H 1 0.27 0.01 . 2 . . . . 88 LEU MD2 . 26593 1 892 . 1 1 88 88 LEU HD22 H 1 0.27 0.01 . 2 . . . . 88 LEU MD2 . 26593 1 893 . 1 1 88 88 LEU HD23 H 1 0.27 0.01 . 2 . . . . 88 LEU MD2 . 26593 1 894 . 1 1 88 88 LEU C C 13 176 0.1 . 1 . . . . 88 LEU C . 26593 1 895 . 1 1 88 88 LEU CA C 13 53.88 0.1 . 1 . . . . 88 LEU CA . 26593 1 896 . 1 1 88 88 LEU CB C 13 43.86 0.1 . 1 . . . . 88 LEU CB . 26593 1 897 . 1 1 88 88 LEU CG C 13 21.93 0.1 . 1 . . . . 88 LEU CG . 26593 1 898 . 1 1 88 88 LEU CD1 C 13 27.18 0.1 . 2 . . . . 88 LEU CD1 . 26593 1 899 . 1 1 88 88 LEU CD2 C 13 23.29 0.1 . 2 . . . . 88 LEU CD2 . 26593 1 900 . 1 1 88 88 LEU N N 15 125.7 0.1 . 1 . . . . 88 LEU N . 26593 1 901 . 1 1 89 89 THR H H 1 9.254 0.01 . 1 . . . . 89 THR H . 26593 1 902 . 1 1 89 89 THR HA H 1 4.564 0.01 . 1 . . . . 89 THR HA . 26593 1 903 . 1 1 89 89 THR HB H 1 3.986 0.01 . 1 . . . . 89 THR HB . 26593 1 904 . 1 1 89 89 THR HG21 H 1 1.209 0.01 . 1 . . . . 89 THR MG . 26593 1 905 . 1 1 89 89 THR HG22 H 1 1.209 0.01 . 1 . . . . 89 THR MG . 26593 1 906 . 1 1 89 89 THR HG23 H 1 1.209 0.01 . 1 . . . . 89 THR MG . 26593 1 907 . 1 1 89 89 THR C C 13 172.3 0.1 . 1 . . . . 89 THR C . 26593 1 908 . 1 1 89 89 THR CA C 13 62.18 0.1 . 1 . . . . 89 THR CA . 26593 1 909 . 1 1 89 89 THR CB C 13 70.77 0.1 . 1 . . . . 89 THR CB . 26593 1 910 . 1 1 89 89 THR CG2 C 13 21.45 0.1 . 1 . . . . 89 THR CG2 . 26593 1 911 . 1 1 89 89 THR N N 15 125.7 0.1 . 1 . . . . 89 THR N . 26593 1 912 . 1 1 90 90 VAL H H 1 8.445 0.01 . 1 . . . . 90 VAL H . 26593 1 913 . 1 1 90 90 VAL HA H 1 4.609 0.01 . 1 . . . . 90 VAL HA . 26593 1 914 . 1 1 90 90 VAL HB H 1 1.822 0.01 . 1 . . . . 90 VAL HB . 26593 1 915 . 1 1 90 90 VAL HG11 H 1 0.601 0.01 . 2 . . . . 90 VAL MG1 . 26593 1 916 . 1 1 90 90 VAL HG12 H 1 0.601 0.01 . 2 . . . . 90 VAL MG1 . 26593 1 917 . 1 1 90 90 VAL HG13 H 1 0.601 0.01 . 2 . . . . 90 VAL MG1 . 26593 1 918 . 1 1 90 90 VAL HG21 H 1 0.601 0.01 . 2 . . . . 90 VAL MG2 . 26593 1 919 . 1 1 90 90 VAL HG22 H 1 0.601 0.01 . 2 . . . . 90 VAL MG2 . 26593 1 920 . 1 1 90 90 VAL HG23 H 1 0.601 0.01 . 2 . . . . 90 VAL MG2 . 26593 1 921 . 1 1 90 90 VAL C C 13 175.2 0.1 . 1 . . . . 90 VAL C . 26593 1 922 . 1 1 90 90 VAL CA C 13 61.18 0.1 . 1 . . . . 90 VAL CA . 26593 1 923 . 1 1 90 90 VAL CB C 13 33.15 0.1 . 1 . . . . 90 VAL CB . 26593 1 924 . 1 1 90 90 VAL CG1 C 13 19.92 0.1 . 2 . . . . 90 VAL CG1 . 26593 1 925 . 1 1 90 90 VAL CG2 C 13 19.92 0.1 . 2 . . . . 90 VAL CG2 . 26593 1 926 . 1 1 90 90 VAL N N 15 125.8 0.1 . 1 . . . . 90 VAL N . 26593 1 927 . 1 1 91 91 LEU H H 1 9.092 0.01 . 1 . . . . 91 LEU H . 26593 1 928 . 1 1 91 91 LEU HA H 1 4.452 0.01 . 1 . . . . 91 LEU HA . 26593 1 929 . 1 1 91 91 LEU HB2 H 1 1.465 0.01 . 2 . . . . 91 LEU HB2 . 26593 1 930 . 1 1 91 91 LEU HB3 H 1 1.465 0.01 . 2 . . . . 91 LEU HB3 . 26593 1 931 . 1 1 91 91 LEU C C 13 176.7 0.1 . 1 . . . . 91 LEU C . 26593 1 932 . 1 1 91 91 LEU CA C 13 54.24 0.1 . 1 . . . . 91 LEU CA . 26593 1 933 . 1 1 91 91 LEU CB C 13 43.15 0.1 . 1 . . . . 91 LEU CB . 26593 1 934 . 1 1 91 91 LEU CG C 13 26.75 0.1 . 1 . . . . 91 LEU CG . 26593 1 935 . 1 1 91 91 LEU CD1 C 13 24.75 0.1 . 2 . . . . 91 LEU CD1 . 26593 1 936 . 1 1 91 91 LEU CD2 C 13 22.82 0.1 . 2 . . . . 91 LEU CD2 . 26593 1 937 . 1 1 91 91 LEU N N 15 129.7 0.1 . 1 . . . . 91 LEU N . 26593 1 938 . 1 1 92 92 GLY H H 1 8.543 0.01 . 1 . . . . 92 GLY H . 26593 1 939 . 1 1 92 92 GLY HA2 H 1 3.952 0.01 . 2 . . . . 92 GLY HA2 . 26593 1 940 . 1 1 92 92 GLY HA3 H 1 3.952 0.01 . 2 . . . . 92 GLY HA3 . 26593 1 941 . 1 1 92 92 GLY C C 13 173.1 0.1 . 1 . . . . 92 GLY C . 26593 1 942 . 1 1 92 92 GLY CA C 13 44.74 0.1 . 1 . . . . 92 GLY CA . 26593 1 943 . 1 1 92 92 GLY N N 15 110.1 0.1 . 1 . . . . 92 GLY N . 26593 1 944 . 1 1 93 93 LEU H H 1 8.266 0.01 . 1 . . . . 93 LEU H . 26593 1 945 . 1 1 93 93 LEU HA H 1 4.614 0.01 . 1 . . . . 93 LEU HA . 26593 1 946 . 1 1 93 93 LEU HB2 H 1 1.6 0.01 . 2 . . . . 93 LEU HB2 . 26593 1 947 . 1 1 93 93 LEU HB3 H 1 1.6 0.01 . 2 . . . . 93 LEU HB3 . 26593 1 948 . 1 1 93 93 LEU HG H 1 0.941 0.01 . 1 . . . . 93 LEU HG . 26593 1 949 . 1 1 93 93 LEU C C 13 176.5 0.1 . 1 . . . . 93 LEU C . 26593 1 950 . 1 1 93 93 LEU CA C 13 53.02 0.1 . 1 . . . . 93 LEU CA . 26593 1 951 . 1 1 93 93 LEU CB C 13 41.67 0.1 . 1 . . . . 93 LEU CB . 26593 1 952 . 1 1 93 93 LEU CG C 13 27.29 0.1 . 1 . . . . 93 LEU CG . 26593 1 953 . 1 1 93 93 LEU CD1 C 13 50.34 0.1 . 2 . . . . 93 LEU CD1 . 26593 1 954 . 1 1 93 93 LEU CD2 C 13 50.34 0.1 . 2 . . . . 93 LEU CD2 . 26593 1 955 . 1 1 93 93 LEU N N 15 121.5 0.1 . 1 . . . . 93 LEU N . 26593 1 956 . 1 1 94 94 PRO HA H 1 4.36 0.01 . 1 . . . . 94 PRO HA . 26593 1 957 . 1 1 94 94 PRO HB2 H 1 2.24 0.01 . 2 . . . . 94 PRO HB2 . 26593 1 958 . 1 1 94 94 PRO HB3 H 1 2.24 0.01 . 2 . . . . 94 PRO HB3 . 26593 1 959 . 1 1 94 94 PRO HG2 H 1 1.92 0.01 . 2 . . . . 94 PRO HG2 . 26593 1 960 . 1 1 94 94 PRO HG3 H 1 1.92 0.01 . 2 . . . . 94 PRO HG3 . 26593 1 961 . 1 1 94 94 PRO HD2 H 1 3.72 0.01 . 2 . . . . 94 PRO HD2 . 26593 1 962 . 1 1 94 94 PRO HD3 H 1 3.72 0.01 . 2 . . . . 94 PRO HD3 . 26593 1 963 . 1 1 94 94 PRO CA C 13 63.3 0.1 . 1 . . . . 94 PRO CA . 26593 1 964 . 1 1 94 94 PRO CB C 13 31.9 0.1 . 1 . . . . 94 PRO CB . 26593 1 965 . 1 1 94 94 PRO CG C 13 27.9 0.1 . 1 . . . . 94 PRO CG . 26593 1 966 . 1 1 94 94 PRO CD C 13 51 0.1 . 1 . . . . 94 PRO CD . 26593 1 967 . 1 1 95 95 ASP H H 1 8.363 0.01 . 1 . . . . 95 ASP H . 26593 1 968 . 1 1 95 95 ASP HA H 1 4.559 0.01 . 1 . . . . 95 ASP HA . 26593 1 969 . 1 1 95 95 ASP HB2 H 1 2.685 0.01 . 2 . . . . 95 ASP HB2 . 26593 1 970 . 1 1 95 95 ASP HB3 H 1 2.865 0.01 . 2 . . . . 95 ASP HB3 . 26593 1 971 . 1 1 95 95 ASP C C 13 176.6 0.1 . 1 . . . . 95 ASP C . 26593 1 972 . 1 1 95 95 ASP CA C 13 54.58 0.1 . 1 . . . . 95 ASP CA . 26593 1 973 . 1 1 95 95 ASP CB C 13 41.27 0.1 . 1 . . . . 95 ASP CB . 26593 1 974 . 1 1 95 95 ASP N N 15 8.363 0.1 . 1 . . . . 95 ASP N . 26593 1 975 . 1 1 96 96 GLY H H 1 8.361 0.01 . 1 . . . . 96 GLY H . 26593 1 976 . 1 1 96 96 GLY HA2 H 1 3.961 0.01 . 2 . . . . 96 GLY HA2 . 26593 1 977 . 1 1 96 96 GLY HA3 H 1 3.961 0.01 . 2 . . . . 96 GLY HA3 . 26593 1 978 . 1 1 96 96 GLY C C 13 174.2 0.1 . 1 . . . . 96 GLY C . 26593 1 979 . 1 1 96 96 GLY CA C 13 45.55 0.1 . 1 . . . . 96 GLY CA . 26593 1 980 . 1 1 96 96 GLY N N 15 109.3 0.1 . 1 . . . . 96 GLY N . 26593 1 981 . 1 1 97 97 LEU H H 1 8.061 0.01 . 1 . . . . 97 LEU H . 26593 1 982 . 1 1 97 97 LEU HA H 1 4.321 0.01 . 1 . . . . 97 LEU HA . 26593 1 983 . 1 1 97 97 LEU HB2 H 1 1.573 0.01 . 2 . . . . 97 LEU HB2 . 26593 1 984 . 1 1 97 97 LEU HB3 H 1 1.573 0.01 . 2 . . . . 97 LEU HB3 . 26593 1 985 . 1 1 97 97 LEU HG H 1 0.895 0.01 . 1 . . . . 97 LEU HG . 26593 1 986 . 1 1 97 97 LEU CA C 13 55.22 0.1 . 1 . . . . 97 LEU CA . 26593 1 987 . 1 1 97 97 LEU CB C 13 42.9 0.1 . 1 . . . . 97 LEU CB . 26593 1 988 . 1 1 97 97 LEU N N 15 121.3 0.1 . 1 . . . . 97 LEU N . 26593 1 989 . 1 1 98 98 GLU H H 1 8.428 0.01 . 1 . . . . 98 GLU H . 26593 1 990 . 1 1 98 98 GLU HA H 1 4.661 0.01 . 1 . . . . 98 GLU HA . 26593 1 991 . 1 1 98 98 GLU HB2 H 1 1.722 0.01 . 2 . . . . 98 GLU HB2 . 26593 1 992 . 1 1 98 98 GLU HB3 H 1 1.722 0.01 . 2 . . . . 98 GLU HB3 . 26593 1 993 . 1 1 98 98 GLU HG2 H 1 2.13 0.01 . 2 . . . . 98 GLU HG2 . 26593 1 994 . 1 1 98 98 GLU HG3 H 1 2.13 0.01 . 2 . . . . 98 GLU HG3 . 26593 1 995 . 1 1 98 98 GLU C C 13 175.5 0.1 . 1 . . . . 98 GLU C . 26593 1 996 . 1 1 98 98 GLU N N 15 123.8 0.01 . 1 . . . . 98 GLU N . 26593 1 997 . 1 1 100 100 HIS H H 1 8.101 0.01 . 1 . . . . 100 HIS H . 26593 1 998 . 1 1 100 100 HIS N N 15 123.1 0.1 . 1 . . . . 100 HIS N . 26593 1 999 . 1 1 104 104 HIS H H 1 7.889 0.01 . 1 . . . . 104 HIS H . 26593 1 1000 . 1 1 104 104 HIS HA H 1 4.164 0.01 . 1 . . . . 104 HIS HA . 26593 1 1001 . 1 1 104 104 HIS HB2 H 1 2.189 0.01 . 2 . . . . 104 HIS HB2 . 26593 1 1002 . 1 1 104 104 HIS HB3 H 1 2.189 0.01 . 2 . . . . 104 HIS HB3 . 26593 1 1003 . 1 1 104 104 HIS C C 13 180.9 0.1 . 1 . . . . 104 HIS C . 26593 1 1004 . 1 1 104 104 HIS CA C 13 57.62 0.1 . 1 . . . . 104 HIS CA . 26593 1 1005 . 1 1 104 104 HIS CB C 13 30.72 0.1 . 1 . . . . 104 HIS CB . 26593 1 1006 . 1 1 104 104 HIS N N 15 125.9 0.1 . 1 . . . . 104 HIS N . 26593 1 stop_ save_