data_25308 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25308 _Entry.Title ; Chemical shift assignments of human obscurin Ig58 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-11-03 _Entry.Accession_date 2014-11-03 _Entry.Last_release_date 2015-12-07 _Entry.Original_release_date 2015-12-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Chemical shift assignments of human obscurin Ig58' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Nathan Wright . T. . 25308 2 Logan Meyer . C. . 25308 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25308 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 376 25308 '15N chemical shifts' 91 25308 '1H chemical shifts' 625 25308 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 . . 2015-12-07 . original BMRB . 25308 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25301 OBSC-Ig1 25308 BMRB 25303 'titin M10-obscurin-Ig1' 25308 BMRB 25304 'obscurin Ig1 bound to titin M10' 25308 BMRB 25305 'titin M10' 25308 PDB 2MWC 'BMRB Entry Tracking System' 25308 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25308 _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 ; Obscurin Ig58 disrupts myocyte development ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Nathan Wright . T. . 25308 1 2 Logan Meyer . C. . 25308 1 3 Katia Kontrogianni-Konstantopoulos . A. . 25308 1 4 Maegen Ackermann . A. . 25308 1 5 Rebecca Hu . Y. . 25308 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25308 _Assembly.ID 1 _Assembly.Name 'obscurin Ig58' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'human obscurin Ig58' _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 Ig58 1 $Ig58 A . yes native no no . . . 25308 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ig58 _Entity.Sf_category entity _Entity.Sf_framecode Ig58 _Entity.Entry_ID 25308 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Ig58 _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 ; TAKNTVVRGLENVEALEGGE ALFECQLSQPEVAAHTWLLD DEPVRTSENAEVVFFENGLR HLLLLKNLRPQDSCRVTFLA GDMVTSAFLTVRGGLEHHHH HH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 THR . 25308 1 2 2 ALA . 25308 1 3 3 LYS . 25308 1 4 4 ASN . 25308 1 5 5 THR . 25308 1 6 6 VAL . 25308 1 7 7 VAL . 25308 1 8 8 ARG . 25308 1 9 9 GLY . 25308 1 10 10 LEU . 25308 1 11 11 GLU . 25308 1 12 12 ASN . 25308 1 13 13 VAL . 25308 1 14 14 GLU . 25308 1 15 15 ALA . 25308 1 16 16 LEU . 25308 1 17 17 GLU . 25308 1 18 18 GLY . 25308 1 19 19 GLY . 25308 1 20 20 GLU . 25308 1 21 21 ALA . 25308 1 22 22 LEU . 25308 1 23 23 PHE . 25308 1 24 24 GLU . 25308 1 25 25 CYS . 25308 1 26 26 GLN . 25308 1 27 27 LEU . 25308 1 28 28 SER . 25308 1 29 29 GLN . 25308 1 30 30 PRO . 25308 1 31 31 GLU . 25308 1 32 32 VAL . 25308 1 33 33 ALA . 25308 1 34 34 ALA . 25308 1 35 35 HIS . 25308 1 36 36 THR . 25308 1 37 37 TRP . 25308 1 38 38 LEU . 25308 1 39 39 LEU . 25308 1 40 40 ASP . 25308 1 41 41 ASP . 25308 1 42 42 GLU . 25308 1 43 43 PRO . 25308 1 44 44 VAL . 25308 1 45 45 ARG . 25308 1 46 46 THR . 25308 1 47 47 SER . 25308 1 48 48 GLU . 25308 1 49 49 ASN . 25308 1 50 50 ALA . 25308 1 51 51 GLU . 25308 1 52 52 VAL . 25308 1 53 53 VAL . 25308 1 54 54 PHE . 25308 1 55 55 PHE . 25308 1 56 56 GLU . 25308 1 57 57 ASN . 25308 1 58 58 GLY . 25308 1 59 59 LEU . 25308 1 60 60 ARG . 25308 1 61 61 HIS . 25308 1 62 62 LEU . 25308 1 63 63 LEU . 25308 1 64 64 LEU . 25308 1 65 65 LEU . 25308 1 66 66 LYS . 25308 1 67 67 ASN . 25308 1 68 68 LEU . 25308 1 69 69 ARG . 25308 1 70 70 PRO . 25308 1 71 71 GLN . 25308 1 72 72 ASP . 25308 1 73 73 SER . 25308 1 74 74 CYS . 25308 1 75 75 ARG . 25308 1 76 76 VAL . 25308 1 77 77 THR . 25308 1 78 78 PHE . 25308 1 79 79 LEU . 25308 1 80 80 ALA . 25308 1 81 81 GLY . 25308 1 82 82 ASP . 25308 1 83 83 MET . 25308 1 84 84 VAL . 25308 1 85 85 THR . 25308 1 86 86 SER . 25308 1 87 87 ALA . 25308 1 88 88 PHE . 25308 1 89 89 LEU . 25308 1 90 90 THR . 25308 1 91 91 VAL . 25308 1 92 92 ARG . 25308 1 93 93 GLY . 25308 1 94 94 GLY . 25308 1 95 95 LEU . 25308 1 96 96 GLU . 25308 1 97 97 HIS . 25308 1 98 98 HIS . 25308 1 99 99 HIS . 25308 1 100 100 HIS . 25308 1 101 101 HIS . 25308 1 102 102 HIS . 25308 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 . THR 1 1 25308 1 . ALA 2 2 25308 1 . LYS 3 3 25308 1 . ASN 4 4 25308 1 . THR 5 5 25308 1 . VAL 6 6 25308 1 . VAL 7 7 25308 1 . ARG 8 8 25308 1 . GLY 9 9 25308 1 . LEU 10 10 25308 1 . GLU 11 11 25308 1 . ASN 12 12 25308 1 . VAL 13 13 25308 1 . GLU 14 14 25308 1 . ALA 15 15 25308 1 . LEU 16 16 25308 1 . GLU 17 17 25308 1 . GLY 18 18 25308 1 . GLY 19 19 25308 1 . GLU 20 20 25308 1 . ALA 21 21 25308 1 . LEU 22 22 25308 1 . PHE 23 23 25308 1 . GLU 24 24 25308 1 . CYS 25 25 25308 1 . GLN 26 26 25308 1 . LEU 27 27 25308 1 . SER 28 28 25308 1 . GLN 29 29 25308 1 . PRO 30 30 25308 1 . GLU 31 31 25308 1 . VAL 32 32 25308 1 . ALA 33 33 25308 1 . ALA 34 34 25308 1 . HIS 35 35 25308 1 . THR 36 36 25308 1 . TRP 37 37 25308 1 . LEU 38 38 25308 1 . LEU 39 39 25308 1 . ASP 40 40 25308 1 . ASP 41 41 25308 1 . GLU 42 42 25308 1 . PRO 43 43 25308 1 . VAL 44 44 25308 1 . ARG 45 45 25308 1 . THR 46 46 25308 1 . SER 47 47 25308 1 . GLU 48 48 25308 1 . ASN 49 49 25308 1 . ALA 50 50 25308 1 . GLU 51 51 25308 1 . VAL 52 52 25308 1 . VAL 53 53 25308 1 . PHE 54 54 25308 1 . PHE 55 55 25308 1 . GLU 56 56 25308 1 . ASN 57 57 25308 1 . GLY 58 58 25308 1 . LEU 59 59 25308 1 . ARG 60 60 25308 1 . HIS 61 61 25308 1 . LEU 62 62 25308 1 . LEU 63 63 25308 1 . LEU 64 64 25308 1 . LEU 65 65 25308 1 . LYS 66 66 25308 1 . ASN 67 67 25308 1 . LEU 68 68 25308 1 . ARG 69 69 25308 1 . PRO 70 70 25308 1 . GLN 71 71 25308 1 . ASP 72 72 25308 1 . SER 73 73 25308 1 . CYS 74 74 25308 1 . ARG 75 75 25308 1 . VAL 76 76 25308 1 . THR 77 77 25308 1 . PHE 78 78 25308 1 . LEU 79 79 25308 1 . ALA 80 80 25308 1 . GLY 81 81 25308 1 . ASP 82 82 25308 1 . MET 83 83 25308 1 . VAL 84 84 25308 1 . THR 85 85 25308 1 . SER 86 86 25308 1 . ALA 87 87 25308 1 . PHE 88 88 25308 1 . LEU 89 89 25308 1 . THR 90 90 25308 1 . VAL 91 91 25308 1 . ARG 92 92 25308 1 . GLY 93 93 25308 1 . GLY 94 94 25308 1 . LEU 95 95 25308 1 . GLU 96 96 25308 1 . HIS 97 97 25308 1 . HIS 98 98 25308 1 . HIS 99 99 25308 1 . HIS 100 100 25308 1 . HIS 101 101 25308 1 . HIS 102 102 25308 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 25308 _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 $Ig58 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . '58th domain of human obscurin A' 25308 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 25308 _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 $Ig58 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET24a . . . 25308 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25308 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM Tris, pH 7.5, 50 mM NaCl, 0.3 mM NaN3, 10% D2O' _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 Ig58 '[U-99% 13C; U-99% 15N]' . . 1 $Ig58 . . . 0.5 1.5 mM . . . . 25308 1 2 Tris 'natural abundance' . . . . . . 20 . . mM . . . . 25308 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 25308 1 4 NaN3 'natural abundance' . . . . . . 0.3 . . mM . . . . 25308 1 5 H20 'natural abundance' . . . . . . 90 . . % . . . . 25308 1 6 D20 'natural abundance' . . . . . . 10 . . % . . . . 25308 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 25308 _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' 0.05 . M 25308 1 pH 7.5 . pH 25308 1 pressure 1 . atm 25308 1 temperature 273 . K 25308 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25308 _Software.ID 1 _Software.Name NMRPipe _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' . . 25308 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25308 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25308 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _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 25308 _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 . . . 25308 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 25308 _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 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25308 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25308 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25308 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25308 1 5 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25308 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25308 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25308 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25308 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25308 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25308 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 25308 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25308 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25308 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25308 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 25308 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25308 1 2 '3D CBCA(CO)NH' . . . 25308 1 3 '3D HNCACB' . . . 25308 1 4 '3D HNCO' . . . 25308 1 5 '3D HCACO' . . . 25308 1 6 '3D C(CO)NH' . . . 25308 1 7 '3D H(CCO)NH' . . . 25308 1 9 '3D 1H-15N TOCSY' . . . 25308 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 THR HA H 1 4.518 0.005 . 1 . . . A 1 THR HA . 25308 1 2 . 1 1 1 1 THR HB H 1 4.972 0.005 . 1 . . . A 1 THR HB . 25308 1 3 . 1 1 1 1 THR HG21 H 1 1.200 0.005 . 1 . . . A 1 THR HG21 . 25308 1 4 . 1 1 1 1 THR HG22 H 1 1.200 0.005 . 1 . . . A 1 THR HG22 . 25308 1 5 . 1 1 1 1 THR HG23 H 1 1.200 0.005 . 1 . . . A 1 THR HG23 . 25308 1 6 . 1 1 1 1 THR H H 1 7.985 0.005 . 1 . . . A 1 THR H1 . 25308 1 7 . 1 1 1 1 THR C C 13 177.0 0.1 . 1 . . . A 1 THR C . 25308 1 8 . 1 1 1 1 THR CA C 13 63.7 0.1 . 1 . . . A 1 THR CA . 25308 1 9 . 1 1 1 1 THR CB C 13 70.2 0.1 . 1 . . . A 1 THR CB . 25308 1 10 . 1 1 1 1 THR CG2 C 13 20.6 0.1 . 1 . . . A 1 THR CG2 . 25308 1 11 . 1 1 2 2 ALA H H 1 8.204 0.005 . 1 . . . A 2 ALA H . 25308 1 12 . 1 1 2 2 ALA HA H 1 4.374 0.005 . 1 . . . A 2 ALA HA . 25308 1 13 . 1 1 2 2 ALA HB1 H 1 1.352 0.005 . 1 . . . A 2 ALA HB1 . 25308 1 14 . 1 1 2 2 ALA HB2 H 1 1.352 0.005 . 1 . . . A 2 ALA HB2 . 25308 1 15 . 1 1 2 2 ALA HB3 H 1 1.352 0.005 . 1 . . . A 2 ALA HB3 . 25308 1 16 . 1 1 2 2 ALA C C 13 177.5 0.1 . 1 . . . A 2 ALA C . 25308 1 17 . 1 1 2 2 ALA CA C 13 52.4 0.1 . 1 . . . A 2 ALA CA . 25308 1 18 . 1 1 2 2 ALA CB C 13 19.2 0.1 . 1 . . . A 2 ALA CB . 25308 1 19 . 1 1 2 2 ALA N N 15 126.1 0.01 . 1 . . . A 2 ALA N . 25308 1 20 . 1 1 3 3 LYS H H 1 8.364 0.005 . 1 . . . A 3 LYS H . 25308 1 21 . 1 1 3 3 LYS HA H 1 4.250 0.005 . 1 . . . A 3 LYS HA . 25308 1 22 . 1 1 3 3 LYS HB2 H 1 2.146 0.005 . 2 . . . A 3 LYS HB2 . 25308 1 23 . 1 1 3 3 LYS HB3 H 1 2.146 0.005 . 2 . . . A 3 LYS HB3 . 25308 1 24 . 1 1 3 3 LYS HG2 H 1 1.796 0.005 . 2 . . . A 3 LYS HG2 . 25308 1 25 . 1 1 3 3 LYS HG3 H 1 1.796 0.005 . 2 . . . A 3 LYS HG3 . 25308 1 26 . 1 1 3 3 LYS HD2 H 1 1.992 0.005 . 2 . . . A 3 LYS HD2 . 25308 1 27 . 1 1 3 3 LYS HD3 H 1 1.992 0.005 . 2 . . . A 3 LYS HD3 . 25308 1 28 . 1 1 3 3 LYS HE2 H 1 3.000 0.005 . 2 . . . A 3 LYS HE2 . 25308 1 29 . 1 1 3 3 LYS HE3 H 1 3.000 0.005 . 2 . . . A 3 LYS HE3 . 25308 1 30 . 1 1 3 3 LYS C C 13 176.1 0.1 . 1 . . . A 3 LYS C . 25308 1 31 . 1 1 3 3 LYS CA C 13 56.2 0.1 . 1 . . . A 3 LYS CA . 25308 1 32 . 1 1 3 3 LYS CB C 13 32.8 0.1 . 1 . . . A 3 LYS CB . 25308 1 33 . 1 1 3 3 LYS CG C 13 24.0 0.1 . 1 . . . A 3 LYS CG . 25308 1 34 . 1 1 3 3 LYS CD C 13 28.3 0.1 . 1 . . . A 3 LYS CD . 25308 1 35 . 1 1 3 3 LYS CE C 13 41.5 0.1 . 1 . . . A 3 LYS CE . 25308 1 36 . 1 1 3 3 LYS N N 15 121.5 0.01 . 1 . . . A 3 LYS N . 25308 1 37 . 1 1 4 4 ASN H H 1 8.534 0.005 . 1 . . . A 4 ASN H . 25308 1 38 . 1 1 4 4 ASN HA H 1 4.554 0.005 . 1 . . . A 4 ASN HA . 25308 1 39 . 1 1 4 4 ASN HB2 H 1 2.680 0.005 . 2 . . . A 4 ASN HB2 . 25308 1 40 . 1 1 4 4 ASN HB3 H 1 3.070 0.005 . 2 . . . A 4 ASN HB3 . 25308 1 41 . 1 1 4 4 ASN C C 13 174.6 0.1 . 1 . . . A 4 ASN C . 25308 1 42 . 1 1 4 4 ASN CA C 13 51.9 0.1 . 1 . . . A 4 ASN CA . 25308 1 43 . 1 1 4 4 ASN CB C 13 38.3 0.1 . 1 . . . A 4 ASN CB . 25308 1 44 . 1 1 4 4 ASN N N 15 122.7 0.01 . 1 . . . A 4 ASN N . 25308 1 45 . 1 1 5 5 THR H H 1 8.886 0.005 . 1 . . . A 5 THR H . 25308 1 46 . 1 1 5 5 THR HA H 1 4.463 0.005 . 1 . . . A 5 THR HA . 25308 1 47 . 1 1 5 5 THR HB H 1 4.004 0.005 . 1 . . . A 5 THR HB . 25308 1 48 . 1 1 5 5 THR HG21 H 1 1.083 0.005 . 1 . . . A 5 THR HG21 . 25308 1 49 . 1 1 5 5 THR HG22 H 1 1.083 0.005 . 1 . . . A 5 THR HG22 . 25308 1 50 . 1 1 5 5 THR HG23 H 1 1.083 0.005 . 1 . . . A 5 THR HG23 . 25308 1 51 . 1 1 5 5 THR C C 13 172.2 0.1 . 1 . . . A 5 THR C . 25308 1 52 . 1 1 5 5 THR CA C 13 60.4 0.1 . 1 . . . A 5 THR CA . 25308 1 53 . 1 1 5 5 THR CB C 13 72.7 0.1 . 1 . . . A 5 THR CB . 25308 1 54 . 1 1 5 5 THR CG2 C 13 21.1 0.1 . 1 . . . A 5 THR CG2 . 25308 1 55 . 1 1 5 5 THR N N 15 113.9 0.01 . 1 . . . A 5 THR N . 25308 1 56 . 1 1 6 6 VAL H H 1 8.428 0.005 . 1 . . . A 6 VAL H . 25308 1 57 . 1 1 6 6 VAL HA H 1 3.980 0.005 . 1 . . . A 6 VAL HA . 25308 1 58 . 1 1 6 6 VAL HB H 1 1.989 0.005 . 1 . . . A 6 VAL HB . 25308 1 59 . 1 1 6 6 VAL HG11 H 1 0.770 0.005 . 2 . . . A 6 VAL HG11 . 25308 1 60 . 1 1 6 6 VAL HG12 H 1 0.770 0.005 . 2 . . . A 6 VAL HG12 . 25308 1 61 . 1 1 6 6 VAL HG13 H 1 0.770 0.005 . 2 . . . A 6 VAL HG13 . 25308 1 62 . 1 1 6 6 VAL HG21 H 1 0.770 0.005 . 2 . . . A 6 VAL HG21 . 25308 1 63 . 1 1 6 6 VAL HG22 H 1 0.770 0.005 . 2 . . . A 6 VAL HG22 . 25308 1 64 . 1 1 6 6 VAL HG23 H 1 0.770 0.005 . 2 . . . A 6 VAL HG23 . 25308 1 65 . 1 1 6 6 VAL C C 13 172.2 0.1 . 1 . . . A 6 VAL C . 25308 1 66 . 1 1 6 6 VAL CA C 13 62.5 0.1 . 1 . . . A 6 VAL CA . 25308 1 67 . 1 1 6 6 VAL CB C 13 31.4 0.1 . 1 . . . A 6 VAL CB . 25308 1 68 . 1 1 6 6 VAL CG1 C 13 20.1 0.1 . 2 . . . A 6 VAL CG1 . 25308 1 69 . 1 1 6 6 VAL CG2 C 13 20.7 0.1 . 2 . . . A 6 VAL CG2 . 25308 1 70 . 1 1 6 6 VAL N N 15 121.1 0.01 . 1 . . . A 6 VAL N . 25308 1 71 . 1 1 7 7 VAL H H 1 8.860 0.005 . 1 . . . A 7 VAL H . 25308 1 72 . 1 1 7 7 VAL HA H 1 3.980 0.005 . 1 . . . A 7 VAL HA . 25308 1 73 . 1 1 7 7 VAL HB H 1 1.682 0.005 . 1 . . . A 7 VAL HB . 25308 1 74 . 1 1 7 7 VAL HG11 H 1 0.813 0.005 . 2 . . . A 7 VAL HG11 . 25308 1 75 . 1 1 7 7 VAL HG12 H 1 0.813 0.005 . 2 . . . A 7 VAL HG12 . 25308 1 76 . 1 1 7 7 VAL HG13 H 1 0.813 0.005 . 2 . . . A 7 VAL HG13 . 25308 1 77 . 1 1 7 7 VAL HG21 H 1 0.813 0.005 . 2 . . . A 7 VAL HG21 . 25308 1 78 . 1 1 7 7 VAL HG22 H 1 0.813 0.005 . 2 . . . A 7 VAL HG22 . 25308 1 79 . 1 1 7 7 VAL HG23 H 1 0.813 0.005 . 2 . . . A 7 VAL HG23 . 25308 1 80 . 1 1 7 7 VAL C C 13 176.5 0.1 . 1 . . . A 7 VAL C . 25308 1 81 . 1 1 7 7 VAL CA C 13 64.4 0.1 . 1 . . . A 7 VAL CA . 25308 1 82 . 1 1 7 7 VAL CB C 13 32.3 0.1 . 1 . . . A 7 VAL CB . 25308 1 83 . 1 1 7 7 VAL CG1 C 13 19.6 0.1 . 2 . . . A 7 VAL CG1 . 25308 1 84 . 1 1 7 7 VAL CG2 C 13 20.2 0.1 . 2 . . . A 7 VAL CG2 . 25308 1 85 . 1 1 7 7 VAL N N 15 129.4 0.01 . 1 . . . A 7 VAL N . 25308 1 86 . 1 1 8 8 ARG H H 1 7.724 0.005 . 1 . . . A 8 ARG H . 25308 1 87 . 1 1 8 8 ARG HA H 1 4.558 0.005 . 1 . . . A 8 ARG HA . 25308 1 88 . 1 1 8 8 ARG HB2 H 1 1.829 0.005 . 2 . . . A 8 ARG HB2 . 25308 1 89 . 1 1 8 8 ARG HB3 H 1 1.829 0.005 . 2 . . . A 8 ARG HB3 . 25308 1 90 . 1 1 8 8 ARG HG2 H 1 1.584 0.005 . 2 . . . A 8 ARG HG2 . 25308 1 91 . 1 1 8 8 ARG HG3 H 1 1.584 0.005 . 2 . . . A 8 ARG HG3 . 25308 1 92 . 1 1 8 8 ARG HD2 H 1 3.230 0.005 . 2 . . . A 8 ARG HD2 . 25308 1 93 . 1 1 8 8 ARG HD3 H 1 3.230 0.005 . 2 . . . A 8 ARG HD3 . 25308 1 94 . 1 1 8 8 ARG C C 13 174.8 0.1 . 1 . . . A 8 ARG C . 25308 1 95 . 1 1 8 8 ARG CA C 13 56.3 0.1 . 1 . . . A 8 ARG CA . 25308 1 96 . 1 1 8 8 ARG CB C 13 32.5 0.1 . 1 . . . A 8 ARG CB . 25308 1 97 . 1 1 8 8 ARG CG C 13 26.4 0.1 . 1 . . . A 8 ARG CG . 25308 1 98 . 1 1 8 8 ARG CD C 13 43.3 0.1 . 1 . . . A 8 ARG CD . 25308 1 99 . 1 1 8 8 ARG N N 15 120.5 0.01 . 1 . . . A 8 ARG N . 25308 1 100 . 1 1 9 9 GLY H H 1 8.727 0.005 . 1 . . . A 9 GLY H . 25308 1 101 . 1 1 9 9 GLY HA2 H 1 3.890 0.005 . 2 . . . A 9 GLY HA2 . 25308 1 102 . 1 1 9 9 GLY HA3 H 1 4.200 0.005 . 2 . . . A 9 GLY HA3 . 25308 1 103 . 1 1 9 9 GLY C C 13 173.3 0.1 . 1 . . . A 9 GLY C . 25308 1 104 . 1 1 9 9 GLY CA C 13 43.8 0.1 . 1 . . . A 9 GLY CA . 25308 1 105 . 1 1 9 9 GLY N N 15 112.8 0.01 . 1 . . . A 9 GLY N . 25308 1 106 . 1 1 10 10 LEU H H 1 7.851 0.005 . 1 . . . A 10 LEU H . 25308 1 107 . 1 1 10 10 LEU HA H 1 4.460 0.005 . 1 . . . A 10 LEU HA . 25308 1 108 . 1 1 10 10 LEU HB2 H 1 1.610 0.005 . 2 . . . A 10 LEU HB2 . 25308 1 109 . 1 1 10 10 LEU HB3 H 1 1.610 0.005 . 2 . . . A 10 LEU HB3 . 25308 1 110 . 1 1 10 10 LEU HG H 1 1.370 0.005 . 1 . . . A 10 LEU HG . 25308 1 111 . 1 1 10 10 LEU HD11 H 1 1.020 0.005 . 2 . . . A 10 LEU HD11 . 25308 1 112 . 1 1 10 10 LEU HD12 H 1 1.020 0.005 . 2 . . . A 10 LEU HD12 . 25308 1 113 . 1 1 10 10 LEU HD13 H 1 1.020 0.005 . 2 . . . A 10 LEU HD13 . 25308 1 114 . 1 1 10 10 LEU HD21 H 1 0.239 0.005 . 2 . . . A 10 LEU HD21 . 25308 1 115 . 1 1 10 10 LEU HD22 H 1 0.239 0.005 . 2 . . . A 10 LEU HD22 . 25308 1 116 . 1 1 10 10 LEU HD23 H 1 0.239 0.005 . 2 . . . A 10 LEU HD23 . 25308 1 117 . 1 1 10 10 LEU C C 13 177.0 0.005 . 1 . . . A 10 LEU C . 25308 1 118 . 1 1 10 10 LEU CA C 13 55.1 0.1 . 1 . . . A 10 LEU CA . 25308 1 119 . 1 1 10 10 LEU CB C 13 43.5 0.1 . 1 . . . A 10 LEU CB . 25308 1 120 . 1 1 10 10 LEU CG C 13 25.9 0.1 . 1 . . . A 10 LEU CG . 25308 1 121 . 1 1 10 10 LEU CD1 C 13 25.4 0.1 . 2 . . . A 10 LEU CD1 . 25308 1 122 . 1 1 10 10 LEU CD2 C 13 25.4 0.1 . 2 . . . A 10 LEU CD2 . 25308 1 123 . 1 1 10 10 LEU N N 15 115.4 0.01 . 1 . . . A 10 LEU N . 25308 1 124 . 1 1 11 11 GLU H H 1 8.507 0.005 . 1 . . . A 11 GLU H . 25308 1 125 . 1 1 11 11 GLU HA H 1 4.726 0.005 . 1 . . . A 11 GLU HA . 25308 1 126 . 1 1 11 11 GLU HB2 H 1 1.822 0.005 . 2 . . . A 11 GLU HB2 . 25308 1 127 . 1 1 11 11 GLU HB3 H 1 1.822 0.005 . 2 . . . A 11 GLU HB3 . 25308 1 128 . 1 1 11 11 GLU HG2 H 1 2.371 0.005 . 2 . . . A 11 GLU HG2 . 25308 1 129 . 1 1 11 11 GLU HG3 H 1 2.371 0.005 . 2 . . . A 11 GLU HG3 . 25308 1 130 . 1 1 11 11 GLU C C 13 175.1 0.1 . 1 . . . A 11 GLU C . 25308 1 131 . 1 1 11 11 GLU CA C 13 54.2 0.1 . 1 . . . A 11 GLU CA . 25308 1 132 . 1 1 11 11 GLU CB C 13 32.7 0.1 . 1 . . . A 11 GLU CB . 25308 1 133 . 1 1 11 11 GLU CG C 13 35.1 0.1 . 1 . . . A 11 GLU CG . 25308 1 134 . 1 1 11 11 GLU N N 15 120.4 0.01 . 1 . . . A 11 GLU N . 25308 1 135 . 1 1 12 12 ASN H H 1 8.770 0.005 . 1 . . . A 12 ASN H . 25308 1 136 . 1 1 12 12 ASN HA H 1 5.113 0.005 . 1 . . . A 12 ASN HA . 25308 1 137 . 1 1 12 12 ASN HB2 H 1 2.860 0.005 . 2 . . . A 12 ASN HB2 . 25308 1 138 . 1 1 12 12 ASN HB3 H 1 3.050 0.005 . 2 . . . A 12 ASN HB3 . 25308 1 139 . 1 1 12 12 ASN C C 13 176.1 0.1 . 1 . . . A 12 ASN C . 25308 1 140 . 1 1 12 12 ASN CA C 13 53.8 0.1 . 1 . . . A 12 ASN CA . 25308 1 141 . 1 1 12 12 ASN CB C 13 38.7 0.1 . 1 . . . A 12 ASN CB . 25308 1 142 . 1 1 12 12 ASN N N 15 118.6 0.01 . 1 . . . A 12 ASN N . 25308 1 143 . 1 1 13 13 VAL H H 1 8.583 0.005 . 1 . . . A 13 VAL H . 25308 1 144 . 1 1 13 13 VAL HA H 1 4.253 0.005 . 1 . . . A 13 VAL HA . 25308 1 145 . 1 1 13 13 VAL HB H 1 1.690 0.005 . 1 . . . A 13 VAL HB . 25308 1 146 . 1 1 13 13 VAL HG11 H 1 0.419 0.005 . 2 . . . A 13 VAL HG11 . 25308 1 147 . 1 1 13 13 VAL HG12 H 1 0.419 0.005 . 2 . . . A 13 VAL HG12 . 25308 1 148 . 1 1 13 13 VAL HG13 H 1 0.419 0.005 . 2 . . . A 13 VAL HG13 . 25308 1 149 . 1 1 13 13 VAL HG21 H 1 0.703 0.005 . 2 . . . A 13 VAL HG21 . 25308 1 150 . 1 1 13 13 VAL HG22 H 1 0.703 0.005 . 2 . . . A 13 VAL HG22 . 25308 1 151 . 1 1 13 13 VAL HG23 H 1 0.703 0.005 . 2 . . . A 13 VAL HG23 . 25308 1 152 . 1 1 13 13 VAL C C 13 174.2 0.1 . 1 . . . A 13 VAL C . 25308 1 153 . 1 1 13 13 VAL CA C 13 62.2 0.1 . 1 . . . A 13 VAL CA . 25308 1 154 . 1 1 13 13 VAL CB C 13 36.2 0.1 . 1 . . . A 13 VAL CB . 25308 1 155 . 1 1 13 13 VAL CG1 C 13 21.7 0.1 . 2 . . . A 13 VAL CG1 . 25308 1 156 . 1 1 13 13 VAL CG2 C 13 21.7 0.1 . 2 . . . A 13 VAL CG2 . 25308 1 157 . 1 1 13 13 VAL N N 15 120.3 0.01 . 1 . . . A 13 VAL N . 25308 1 158 . 1 1 14 14 GLU H H 1 8.545 0.005 . 1 . . . A 14 GLU H . 25308 1 159 . 1 1 14 14 GLU HA H 1 5.250 0.005 . 1 . . . A 14 GLU HA . 25308 1 160 . 1 1 14 14 GLU HB2 H 1 2.005 0.005 . 2 . . . A 14 GLU HB2 . 25308 1 161 . 1 1 14 14 GLU HB3 H 1 2.005 0.005 . 2 . . . A 14 GLU HB3 . 25308 1 162 . 1 1 14 14 GLU HG2 H 1 2.195 0.005 . 2 . . . A 14 GLU HG2 . 25308 1 163 . 1 1 14 14 GLU HG3 H 1 2.195 0.005 . 2 . . . A 14 GLU HG3 . 25308 1 164 . 1 1 14 14 GLU C C 13 174.7 0.1 . 1 . . . A 14 GLU C . 25308 1 165 . 1 1 14 14 GLU CA C 13 54.9 0.1 . 1 . . . A 14 GLU CA . 25308 1 166 . 1 1 14 14 GLU CB C 13 30.7 0.1 . 1 . . . A 14 GLU CB . 25308 1 167 . 1 1 14 14 GLU CG C 13 36.1 0.1 . 1 . . . A 14 GLU CG . 25308 1 168 . 1 1 14 14 GLU N N 15 128.1 0.01 . 1 . . . A 14 GLU N . 25308 1 169 . 1 1 15 15 ALA H H 1 9.050 0.005 . 1 . . . A 15 ALA H . 25308 1 170 . 1 1 15 15 ALA HA H 1 4.760 0.005 . 1 . . . A 15 ALA HA . 25308 1 171 . 1 1 15 15 ALA HB1 H 1 1.156 0.005 . 1 . . . A 15 ALA HB1 . 25308 1 172 . 1 1 15 15 ALA HB2 H 1 1.156 0.005 . 1 . . . A 15 ALA HB2 . 25308 1 173 . 1 1 15 15 ALA HB3 H 1 1.156 0.005 . 1 . . . A 15 ALA HB3 . 25308 1 174 . 1 1 15 15 ALA C C 13 175.1 0.1 . 1 . . . A 15 ALA C . 25308 1 175 . 1 1 15 15 ALA CA C 13 49.7 0.1 . 1 . . . A 15 ALA CA . 25308 1 176 . 1 1 15 15 ALA CB C 13 23.5 0.1 . 1 . . . A 15 ALA CB . 25308 1 177 . 1 1 15 15 ALA N N 15 128.8 0.01 . 1 . . . A 15 ALA N . 25308 1 178 . 1 1 16 16 LEU H H 1 8.530 0.005 . 1 . . . A 16 LEU H . 25308 1 179 . 1 1 16 16 LEU HA H 1 4.710 0.005 . 1 . . . A 16 LEU HA . 25308 1 180 . 1 1 16 16 LEU HB2 H 1 1.499 0.005 . 2 . . . A 16 LEU HB2 . 25308 1 181 . 1 1 16 16 LEU HB3 H 1 1.499 0.005 . 2 . . . A 16 LEU HB3 . 25308 1 182 . 1 1 16 16 LEU HD11 H 1 0.740 0.005 . 2 . . . A 16 LEU HD11 . 25308 1 183 . 1 1 16 16 LEU HD12 H 1 0.740 0.005 . 2 . . . A 16 LEU HD12 . 25308 1 184 . 1 1 16 16 LEU HD13 H 1 0.740 0.005 . 2 . . . A 16 LEU HD13 . 25308 1 185 . 1 1 16 16 LEU HD21 H 1 0.238 0.005 . 2 . . . A 16 LEU HD21 . 25308 1 186 . 1 1 16 16 LEU HD22 H 1 0.238 0.005 . 2 . . . A 16 LEU HD22 . 25308 1 187 . 1 1 16 16 LEU HD23 H 1 0.238 0.005 . 2 . . . A 16 LEU HD23 . 25308 1 188 . 1 1 16 16 LEU C C 13 176.6 0.1 . 1 . . . A 16 LEU C . 25308 1 189 . 1 1 16 16 LEU CA C 13 53.3 0.1 . 1 . . . A 16 LEU CA . 25308 1 190 . 1 1 16 16 LEU CB C 13 44.0 0.1 . 1 . . . A 16 LEU CB . 25308 1 191 . 1 1 16 16 LEU CG C 13 30.6 0.1 . 1 . . . A 16 LEU CG . 25308 1 192 . 1 1 16 16 LEU CD1 C 13 26.5 0.1 . 2 . . . A 16 LEU CD1 . 25308 1 193 . 1 1 16 16 LEU CD2 C 13 26.5 0.1 . 2 . . . A 16 LEU CD2 . 25308 1 194 . 1 1 16 16 LEU N N 15 121.3 0.01 . 1 . . . A 16 LEU N . 25308 1 195 . 1 1 17 17 GLU H H 1 8.040 0.005 . 1 . . . A 17 GLU H . 25308 1 196 . 1 1 17 17 GLU HA H 1 4.260 0.005 . 1 . . . A 17 GLU HA . 25308 1 197 . 1 1 17 17 GLU HB2 H 1 1.489 0.005 . 2 . . . A 17 GLU HB2 . 25308 1 198 . 1 1 17 17 GLU HB3 H 1 1.489 0.005 . 2 . . . A 17 GLU HB3 . 25308 1 199 . 1 1 17 17 GLU HG2 H 1 2.281 0.005 . 2 . . . A 17 GLU HG2 . 25308 1 200 . 1 1 17 17 GLU HG3 H 1 2.281 0.005 . 2 . . . A 17 GLU HG3 . 25308 1 201 . 1 1 17 17 GLU C C 13 176.7 0.1 . 1 . . . A 17 GLU C . 25308 1 202 . 1 1 17 17 GLU CA C 13 57.9 0.1 . 1 . . . A 17 GLU CA . 25308 1 203 . 1 1 17 17 GLU CB C 13 29.8 0.1 . 1 . . . A 17 GLU CB . 25308 1 204 . 1 1 17 17 GLU CG C 13 35.3 0.1 . 1 . . . A 17 GLU CG . 25308 1 205 . 1 1 17 17 GLU N N 15 121.3 0.01 . 1 . . . A 17 GLU N . 25308 1 206 . 1 1 18 18 GLY H H 1 9.925 0.005 . 1 . . . A 18 GLY H . 25308 1 207 . 1 1 18 18 GLY HA2 H 1 4.370 0.005 . 2 . . . A 18 GLY HA2 . 25308 1 208 . 1 1 18 18 GLY HA3 H 1 3.670 0.005 . 2 . . . A 18 GLY HA3 . 25308 1 209 . 1 1 18 18 GLY C C 13 174.9 0.1 . 1 . . . A 18 GLY C . 25308 1 210 . 1 1 18 18 GLY CA C 13 44.9 0.1 . 1 . . . A 18 GLY CA . 25308 1 211 . 1 1 18 18 GLY N N 15 116.5 0.01 . 1 . . . A 18 GLY N . 25308 1 212 . 1 1 19 19 GLY H H 1 8.669 0.005 . 1 . . . A 19 GLY H . 25308 1 213 . 1 1 19 19 GLY HA2 H 1 4.470 0.005 . 2 . . . A 19 GLY HA2 . 25308 1 214 . 1 1 19 19 GLY HA3 H 1 3.830 0.005 . 2 . . . A 19 GLY HA3 . 25308 1 215 . 1 1 19 19 GLY C C 13 171.0 0.1 . 1 . . . A 19 GLY C . 25308 1 216 . 1 1 19 19 GLY CA C 13 43.6 0.1 . 1 . . . A 19 GLY CA . 25308 1 217 . 1 1 19 19 GLY N N 15 116.5 0.01 . 1 . . . A 19 GLY N . 25308 1 218 . 1 1 20 20 GLU H H 1 7.760 0.005 . 1 . . . A 20 GLU H . 25308 1 219 . 1 1 20 20 GLU HA H 1 5.336 0.005 . 1 . . . A 20 GLU HA . 25308 1 220 . 1 1 20 20 GLU HB2 H 1 1.916 0.005 . 2 . . . A 20 GLU HB2 . 25308 1 221 . 1 1 20 20 GLU HB3 H 1 1.916 0.005 . 2 . . . A 20 GLU HB3 . 25308 1 222 . 1 1 20 20 GLU HG2 H 1 2.182 0.005 . 2 . . . A 20 GLU HG2 . 25308 1 223 . 1 1 20 20 GLU HG3 H 1 2.182 0.005 . 2 . . . A 20 GLU HG3 . 25308 1 224 . 1 1 20 20 GLU C C 13 175.6 0.1 . 1 . . . A 20 GLU C . 25308 1 225 . 1 1 20 20 GLU CA C 13 53.5 0.1 . 1 . . . A 20 GLU CA . 25308 1 226 . 1 1 20 20 GLU CB C 13 33.6 0.1 . 1 . . . A 20 GLU CB . 25308 1 227 . 1 1 20 20 GLU CG C 13 35.5 0.1 . 1 . . . A 20 GLU CG . 25308 1 228 . 1 1 20 20 GLU N N 15 113.7 0.01 . 1 . . . A 20 GLU N . 25308 1 229 . 1 1 21 21 ALA H H 1 8.846 0.005 . 1 . . . A 21 ALA H . 25308 1 230 . 1 1 21 21 ALA HA H 1 4.491 0.005 . 1 . . . A 21 ALA HA . 25308 1 231 . 1 1 21 21 ALA HB1 H 1 1.173 0.005 . 1 . . . A 21 ALA HB1 . 25308 1 232 . 1 1 21 21 ALA HB2 H 1 1.173 0.005 . 1 . . . A 21 ALA HB2 . 25308 1 233 . 1 1 21 21 ALA HB3 H 1 1.173 0.005 . 1 . . . A 21 ALA HB3 . 25308 1 234 . 1 1 21 21 ALA C C 13 173.4 0.1 . 1 . . . A 21 ALA C . 25308 1 235 . 1 1 21 21 ALA CA C 13 51.1 0.1 . 1 . . . A 21 ALA CA . 25308 1 236 . 1 1 21 21 ALA CB C 13 25.0 0.1 . 1 . . . A 21 ALA CB . 25308 1 237 . 1 1 21 21 ALA N N 15 120.4 0.01 . 1 . . . A 21 ALA N . 25308 1 238 . 1 1 22 22 LEU H H 1 7.974 0.005 . 1 . . . A 22 LEU H . 25308 1 239 . 1 1 22 22 LEU HA H 1 5.236 0.005 . 1 . . . A 22 LEU HA . 25308 1 240 . 1 1 22 22 LEU HB2 H 1 1.514 0.005 . 2 . . . A 22 LEU HB2 . 25308 1 241 . 1 1 22 22 LEU HB3 H 1 1.514 0.005 . 2 . . . A 22 LEU HB3 . 25308 1 242 . 1 1 22 22 LEU HG H 1 1.314 0.005 . 1 . . . A 22 LEU HG . 25308 1 243 . 1 1 22 22 LEU HD11 H 1 0.755 0.005 . 2 . . . A 22 LEU HD11 . 25308 1 244 . 1 1 22 22 LEU HD12 H 1 0.755 0.005 . 2 . . . A 22 LEU HD12 . 25308 1 245 . 1 1 22 22 LEU HD13 H 1 0.755 0.005 . 2 . . . A 22 LEU HD13 . 25308 1 246 . 1 1 22 22 LEU HD21 H 1 0.410 0.005 . 2 . . . A 22 LEU HD21 . 25308 1 247 . 1 1 22 22 LEU HD22 H 1 0.410 0.005 . 2 . . . A 22 LEU HD22 . 25308 1 248 . 1 1 22 22 LEU HD23 H 1 0.410 0.005 . 2 . . . A 22 LEU HD23 . 25308 1 249 . 1 1 22 22 LEU C C 13 175.0 0.1 . 1 . . . A 22 LEU C . 25308 1 250 . 1 1 22 22 LEU CA C 13 53.8 0.1 . 1 . . . A 22 LEU CA . 25308 1 251 . 1 1 22 22 LEU CB C 13 45.0 0.1 . 1 . . . A 22 LEU CB . 25308 1 252 . 1 1 22 22 LEU CD1 C 13 24.6 0.1 . 2 . . . A 22 LEU CD1 . 25308 1 253 . 1 1 22 22 LEU CD2 C 13 27.5 0.1 . 2 . . . A 22 LEU CD2 . 25308 1 254 . 1 1 22 22 LEU N N 15 123.8 0.01 . 1 . . . A 22 LEU N . 25308 1 255 . 1 1 23 23 PHE H H 1 9.272 0.005 . 1 . . . A 23 PHE H . 25308 1 256 . 1 1 23 23 PHE HA H 1 5.430 0.005 . 1 . . . A 23 PHE HA . 25308 1 257 . 1 1 23 23 PHE HB2 H 1 2.881 0.005 . 2 . . . A 23 PHE HB2 . 25308 1 258 . 1 1 23 23 PHE HB3 H 1 2.881 0.005 . 2 . . . A 23 PHE HB3 . 25308 1 259 . 1 1 23 23 PHE C C 13 173.2 0.1 . 1 . . . A 23 PHE C . 25308 1 260 . 1 1 23 23 PHE CA C 13 57.4 0.1 . 1 . . . A 23 PHE CA . 25308 1 261 . 1 1 23 23 PHE CB C 13 42.6 0.1 . 1 . . . A 23 PHE CB . 25308 1 262 . 1 1 23 23 PHE N N 15 124.7 0.01 . 1 . . . A 23 PHE N . 25308 1 263 . 1 1 24 24 GLU H H 1 8.612 0.005 . 1 . . . A 24 GLU H . 25308 1 264 . 1 1 24 24 GLU HA H 1 5.780 0.005 . 1 . . . A 24 GLU HA . 25308 1 265 . 1 1 24 24 GLU HB2 H 1 1.920 0.005 . 2 . . . A 24 GLU HB2 . 25308 1 266 . 1 1 24 24 GLU HB3 H 1 1.920 0.005 . 2 . . . A 24 GLU HB3 . 25308 1 267 . 1 1 24 24 GLU HG2 H 1 2.200 0.005 . 2 . . . A 24 GLU HG2 . 25308 1 268 . 1 1 24 24 GLU HG3 H 1 2.200 0.005 . 2 . . . A 24 GLU HG3 . 25308 1 269 . 1 1 24 24 GLU C C 13 175.4 0.1 . 1 . . . A 24 GLU C . 25308 1 270 . 1 1 24 24 GLU CA C 13 54.8 0.1 . 1 . . . A 24 GLU CA . 25308 1 271 . 1 1 24 24 GLU CB C 13 34.3 0.1 . 1 . . . A 24 GLU CB . 25308 1 272 . 1 1 24 24 GLU CG C 13 36.8 0.1 . 1 . . . A 24 GLU CG . 25308 1 273 . 1 1 24 24 GLU N N 15 121.5 0.01 . 1 . . . A 24 GLU N . 25308 1 274 . 1 1 25 25 CYS H H 1 9.201 0.005 . 1 . . . A 25 CYS H . 25308 1 275 . 1 1 25 25 CYS HA H 1 5.035 0.005 . 1 . . . A 25 CYS HA . 25308 1 276 . 1 1 25 25 CYS HB2 H 1 2.336 0.005 . 2 . . . A 25 CYS HB2 . 25308 1 277 . 1 1 25 25 CYS HB3 H 1 2.336 0.005 . 2 . . . A 25 CYS HB3 . 25308 1 278 . 1 1 25 25 CYS C C 13 172.4 0.1 . 1 . . . A 25 CYS C . 25308 1 279 . 1 1 25 25 CYS CA C 13 55.7 0.1 . 1 . . . A 25 CYS CA . 25308 1 280 . 1 1 25 25 CYS CB C 13 30.9 0.1 . 1 . . . A 25 CYS CB . 25308 1 281 . 1 1 25 25 CYS N N 15 119.8 0.01 . 1 . . . A 25 CYS N . 25308 1 282 . 1 1 26 26 GLN H H 1 8.705 0.005 . 1 . . . A 26 GLN H . 25308 1 283 . 1 1 26 26 GLN HA H 1 5.418 0.005 . 1 . . . A 26 GLN HA . 25308 1 284 . 1 1 26 26 GLN HB2 H 1 1.927 0.005 . 2 . . . A 26 GLN HB2 . 25308 1 285 . 1 1 26 26 GLN HB3 H 1 1.927 0.005 . 2 . . . A 26 GLN HB3 . 25308 1 286 . 1 1 26 26 GLN HG2 H 1 2.319 0.005 . 2 . . . A 26 GLN HG2 . 25308 1 287 . 1 1 26 26 GLN HG3 H 1 2.319 0.005 . 2 . . . A 26 GLN HG3 . 25308 1 288 . 1 1 26 26 GLN C C 13 174.7 0.1 . 1 . . . A 26 GLN C . 25308 1 289 . 1 1 26 26 GLN CA C 13 54.0 0.1 . 1 . . . A 26 GLN CA . 25308 1 290 . 1 1 26 26 GLN CB C 13 32.3 0.1 . 1 . . . A 26 GLN CB . 25308 1 291 . 1 1 26 26 GLN CG C 13 32.8 0.1 . 1 . . . A 26 GLN CG . 25308 1 292 . 1 1 26 26 GLN N N 15 121.8 0.01 . 1 . . . A 26 GLN N . 25308 1 293 . 1 1 27 27 LEU H H 1 9.326 0.005 . 1 . . . A 27 LEU H . 25308 1 294 . 1 1 27 27 LEU HA H 1 5.200 0.005 . 1 . . . A 27 LEU HA . 25308 1 295 . 1 1 27 27 LEU HB2 H 1 2.047 0.005 . 2 . . . A 27 LEU HB2 . 25308 1 296 . 1 1 27 27 LEU HB3 H 1 2.047 0.005 . 2 . . . A 27 LEU HB3 . 25308 1 297 . 1 1 27 27 LEU HG H 1 1.647 0.005 . 1 . . . A 27 LEU HG . 25308 1 298 . 1 1 27 27 LEU HD11 H 1 0.950 0.005 . 2 . . . A 27 LEU HD11 . 25308 1 299 . 1 1 27 27 LEU HD12 H 1 0.950 0.005 . 2 . . . A 27 LEU HD12 . 25308 1 300 . 1 1 27 27 LEU HD13 H 1 0.950 0.005 . 2 . . . A 27 LEU HD13 . 25308 1 301 . 1 1 27 27 LEU HD21 H 1 0.750 0.005 . 2 . . . A 27 LEU HD21 . 25308 1 302 . 1 1 27 27 LEU HD22 H 1 0.750 0.005 . 2 . . . A 27 LEU HD22 . 25308 1 303 . 1 1 27 27 LEU HD23 H 1 0.750 0.005 . 2 . . . A 27 LEU HD23 . 25308 1 304 . 1 1 27 27 LEU C C 13 176.3 0.01 . 1 . . . A 27 LEU C . 25308 1 305 . 1 1 27 27 LEU CA C 13 53.1 0.1 . 1 . . . A 27 LEU CA . 25308 1 306 . 1 1 27 27 LEU CB C 13 43.9 0.1 . 1 . . . A 27 LEU CB . 25308 1 307 . 1 1 27 27 LEU CG C 13 27.4 0.1 . 1 . . . A 27 LEU CG . 25308 1 308 . 1 1 27 27 LEU CD1 C 13 25.4 0.1 . 2 . . . A 27 LEU CD1 . 25308 1 309 . 1 1 27 27 LEU CD2 C 13 22.4 0.1 . 2 . . . A 27 LEU CD2 . 25308 1 310 . 1 1 27 27 LEU N N 15 127.8 0.01 . 1 . . . A 27 LEU N . 25308 1 311 . 1 1 28 28 SER H H 1 8.834 0.005 . 1 . . . A 28 SER H . 25308 1 312 . 1 1 28 28 SER HA H 1 4.276 0.005 . 1 . . . A 28 SER HA . 25308 1 313 . 1 1 28 28 SER HB2 H 1 3.863 0.005 . 2 . . . A 28 SER HB2 . 25308 1 314 . 1 1 28 28 SER HB3 H 1 3.863 0.005 . 2 . . . A 28 SER HB3 . 25308 1 315 . 1 1 28 28 SER C C 13 176.3 0.1 . 1 . . . A 28 SER C . 25308 1 316 . 1 1 28 28 SER CA C 13 60.1 0.1 . 1 . . . A 28 SER CA . 25308 1 317 . 1 1 28 28 SER CB C 13 63.5 0.1 . 1 . . . A 28 SER CB . 25308 1 318 . 1 1 28 28 SER N N 15 113.1 0.01 . 1 . . . A 28 SER N . 25308 1 319 . 1 1 29 29 GLN H H 1 8.671 0.005 . 1 . . . A 29 GLN H . 25308 1 320 . 1 1 29 29 GLN HA H 1 5.403 0.005 . 1 . . . A 29 GLN HA . 25308 1 321 . 1 1 29 29 GLN HB2 H 1 1.920 0.005 . 2 . . . A 29 GLN HB2 . 25308 1 322 . 1 1 29 29 GLN HB3 H 1 1.920 0.005 . 2 . . . A 29 GLN HB3 . 25308 1 323 . 1 1 29 29 GLN HG2 H 1 2.310 0.005 . 2 . . . A 29 GLN HG2 . 25308 1 324 . 1 1 29 29 GLN HG3 H 1 2.310 0.005 . 2 . . . A 29 GLN HG3 . 25308 1 325 . 1 1 29 29 GLN C C 13 172.8 0.1 . 1 . . . A 29 GLN C . 25308 1 326 . 1 1 29 29 GLN CA C 13 52.3 0.1 . 1 . . . A 29 GLN CA . 25308 1 327 . 1 1 29 29 GLN CB C 13 29.1 0.1 . 1 . . . A 29 GLN CB . 25308 1 328 . 1 1 29 29 GLN N N 15 121.4 0.01 . 1 . . . A 29 GLN N . 25308 1 329 . 1 1 30 30 PRO HA H 1 3.870 0.005 . 1 . . . A 30 PRO HA . 25308 1 330 . 1 1 30 30 PRO HB2 H 1 2.220 0.005 . 2 . . . A 30 PRO HB2 . 25308 1 331 . 1 1 30 30 PRO HB3 H 1 2.220 0.005 . 2 . . . A 30 PRO HB3 . 25308 1 332 . 1 1 30 30 PRO HG2 H 1 1.632 0.005 . 2 . . . A 30 PRO HG2 . 25308 1 333 . 1 1 30 30 PRO HG3 H 1 1.632 0.005 . 2 . . . A 30 PRO HG3 . 25308 1 334 . 1 1 30 30 PRO HD2 H 1 3.829 0.005 . 2 . . . A 30 PRO HD2 . 25308 1 335 . 1 1 30 30 PRO HD3 H 1 3.829 0.005 . 2 . . . A 30 PRO HD3 . 25308 1 336 . 1 1 30 30 PRO CA C 13 63.6 0.1 . 1 . . . A 30 PRO CA . 25308 1 337 . 1 1 30 30 PRO CB C 13 32.4 0.1 . 1 . . . A 30 PRO CB . 25308 1 338 . 1 1 30 30 PRO CG C 13 27.3 0.1 . 1 . . . A 30 PRO CG . 25308 1 339 . 1 1 30 30 PRO CD C 13 50.5 0.1 . 1 . . . A 30 PRO CD . 25308 1 340 . 1 1 31 31 GLU H H 1 7.745 0.005 . 1 . . . A 31 GLU H . 25308 1 341 . 1 1 31 31 GLU HA H 1 4.456 0.005 . 1 . . . A 31 GLU HA . 25308 1 342 . 1 1 31 31 GLU HB2 H 1 1.682 0.005 . 2 . . . A 31 GLU HB2 . 25308 1 343 . 1 1 31 31 GLU HB3 H 1 1.682 0.005 . 2 . . . A 31 GLU HB3 . 25308 1 344 . 1 1 31 31 GLU HG2 H 1 2.226 0.005 . 2 . . . A 31 GLU HG2 . 25308 1 345 . 1 1 31 31 GLU HG3 H 1 2.226 0.005 . 2 . . . A 31 GLU HG3 . 25308 1 346 . 1 1 31 31 GLU C C 13 174.0 0.005 . 1 . . . A 31 GLU C . 25308 1 347 . 1 1 31 31 GLU CA C 13 55.6 0.1 . 1 . . . A 31 GLU CA . 25308 1 348 . 1 1 31 31 GLU CB C 13 32.4 0.1 . 1 . . . A 31 GLU CB . 25308 1 349 . 1 1 31 31 GLU CG C 13 37.1 0.1 . 1 . . . A 31 GLU CG . 25308 1 350 . 1 1 31 31 GLU N N 15 121.5 0.01 . 1 . . . A 31 GLU N . 25308 1 351 . 1 1 32 32 VAL H H 1 8.135 0.005 . 1 . . . A 32 VAL H . 25308 1 352 . 1 1 32 32 VAL HA H 1 4.092 0.005 . 1 . . . A 32 VAL HA . 25308 1 353 . 1 1 32 32 VAL HB H 1 2.317 0.005 . 1 . . . A 32 VAL HB . 25308 1 354 . 1 1 32 32 VAL HG11 H 1 0.973 0.005 . 2 . . . A 32 VAL HG11 . 25308 1 355 . 1 1 32 32 VAL HG12 H 1 0.973 0.005 . 2 . . . A 32 VAL HG12 . 25308 1 356 . 1 1 32 32 VAL HG13 H 1 0.973 0.005 . 2 . . . A 32 VAL HG13 . 25308 1 357 . 1 1 32 32 VAL HG21 H 1 0.973 0.005 . 2 . . . A 32 VAL HG21 . 25308 1 358 . 1 1 32 32 VAL HG22 H 1 0.973 0.005 . 2 . . . A 32 VAL HG22 . 25308 1 359 . 1 1 32 32 VAL HG23 H 1 0.973 0.005 . 2 . . . A 32 VAL HG23 . 25308 1 360 . 1 1 32 32 VAL C C 13 175.7 0.1 . 1 . . . A 32 VAL C . 25308 1 361 . 1 1 32 32 VAL CA C 13 60.1 0.1 . 1 . . . A 32 VAL CA . 25308 1 362 . 1 1 32 32 VAL CB C 13 32.4 0.1 . 1 . . . A 32 VAL CB . 25308 1 363 . 1 1 32 32 VAL CG1 C 13 21.4 0.1 . 2 . . . A 32 VAL CG1 . 25308 1 364 . 1 1 32 32 VAL CG2 C 13 17.0 0.1 . 2 . . . A 32 VAL CG2 . 25308 1 365 . 1 1 32 32 VAL N N 15 114.4 0.01 . 1 . . . A 32 VAL N . 25308 1 366 . 1 1 33 33 ALA H H 1 8.727 0.005 . 1 . . . A 33 ALA H . 25308 1 367 . 1 1 33 33 ALA HA H 1 4.850 0.005 . 1 . . . A 33 ALA HA . 25308 1 368 . 1 1 33 33 ALA HB1 H 1 1.440 0.005 . 1 . . . A 33 ALA HB1 . 25308 1 369 . 1 1 33 33 ALA HB2 H 1 1.440 0.005 . 1 . . . A 33 ALA HB2 . 25308 1 370 . 1 1 33 33 ALA HB3 H 1 1.440 0.005 . 1 . . . A 33 ALA HB3 . 25308 1 371 . 1 1 33 33 ALA C C 13 177.8 0.1 . 1 . . . A 33 ALA C . 25308 1 372 . 1 1 33 33 ALA CA C 13 53.7 0.1 . 1 . . . A 33 ALA CA . 25308 1 373 . 1 1 33 33 ALA CB C 13 22.3 0.1 . 1 . . . A 33 ALA CB . 25308 1 374 . 1 1 33 33 ALA N N 15 125.7 0.01 . 1 . . . A 33 ALA N . 25308 1 375 . 1 1 34 34 ALA H H 1 8.244 0.005 . 1 . . . A 34 ALA H . 25308 1 376 . 1 1 34 34 ALA HA H 1 4.260 0.005 . 1 . . . A 34 ALA HA . 25308 1 377 . 1 1 34 34 ALA HB1 H 1 1.248 0.005 . 1 . . . A 34 ALA HB1 . 25308 1 378 . 1 1 34 34 ALA HB2 H 1 1.248 0.005 . 1 . . . A 34 ALA HB2 . 25308 1 379 . 1 1 34 34 ALA HB3 H 1 1.248 0.005 . 1 . . . A 34 ALA HB3 . 25308 1 380 . 1 1 34 34 ALA C C 13 176.5 0.1 . 1 . . . A 34 ALA C . 25308 1 381 . 1 1 34 34 ALA CA C 13 51.9 0.1 . 1 . . . A 34 ALA CA . 25308 1 382 . 1 1 34 34 ALA CB C 13 19.3 0.1 . 1 . . . A 34 ALA CB . 25308 1 383 . 1 1 34 34 ALA N N 15 123.1 0.01 . 1 . . . A 34 ALA N . 25308 1 384 . 1 1 35 35 HIS HA H 1 4.560 0.005 . 1 . . . A 35 HIS HA . 25308 1 385 . 1 1 35 35 HIS HB2 H 1 2.310 0.005 . 2 . . . A 35 HIS HB2 . 25308 1 386 . 1 1 35 35 HIS HB3 H 1 2.310 0.005 . 2 . . . A 35 HIS HB3 . 25308 1 387 . 1 1 35 35 HIS CA C 13 55.7 0.1 . 1 . . . A 35 HIS CA . 25308 1 388 . 1 1 35 35 HIS CB C 13 32.0 0.1 . 1 . . . A 35 HIS CB . 25308 1 389 . 1 1 36 36 THR H H 1 8.244 0.005 . 1 . . . A 36 THR H . 25308 1 390 . 1 1 36 36 THR HA H 1 4.221 0.005 . 1 . . . A 36 THR HA . 25308 1 391 . 1 1 36 36 THR HB H 1 3.667 0.005 . 1 . . . A 36 THR HB . 25308 1 392 . 1 1 36 36 THR HG21 H 1 1.027 0.005 . 1 . . . A 36 THR HG21 . 25308 1 393 . 1 1 36 36 THR HG22 H 1 1.027 0.005 . 1 . . . A 36 THR HG22 . 25308 1 394 . 1 1 36 36 THR HG23 H 1 1.027 0.005 . 1 . . . A 36 THR HG23 . 25308 1 395 . 1 1 36 36 THR C C 13 170.5 0.1 . 1 . . . A 36 THR C . 25308 1 396 . 1 1 36 36 THR CA C 13 62.0 0.1 . 1 . . . A 36 THR CA . 25308 1 397 . 1 1 36 36 THR CB C 13 72.6 0.1 . 1 . . . A 36 THR CB . 25308 1 398 . 1 1 36 36 THR CG2 C 13 20.3 0.1 . 1 . . . A 36 THR CG2 . 25308 1 399 . 1 1 36 36 THR N N 15 117.7 0.01 . 1 . . . A 36 THR N . 25308 1 400 . 1 1 37 37 TRP H H 1 8.729 0.005 . 1 . . . A 37 TRP H . 25308 1 401 . 1 1 37 37 TRP HA H 1 5.465 0.005 . 1 . . . A 37 TRP HA . 25308 1 402 . 1 1 37 37 TRP HB2 H 1 2.910 0.005 . 2 . . . A 37 TRP HB2 . 25308 1 403 . 1 1 37 37 TRP HB3 H 1 2.910 0.005 . 2 . . . A 37 TRP HB3 . 25308 1 404 . 1 1 37 37 TRP C C 13 176.0 0.005 . 1 . . . A 37 TRP C . 25308 1 405 . 1 1 37 37 TRP CA C 13 55.7 0.1 . 1 . . . A 37 TRP CA . 25308 1 406 . 1 1 37 37 TRP CB C 13 31.5 0.1 . 1 . . . A 37 TRP CB . 25308 1 407 . 1 1 37 37 TRP N N 15 124.9 0.01 . 1 . . . A 37 TRP N . 25308 1 408 . 1 1 38 38 LEU H H 1 9.631 0.005 . 1 . . . A 38 LEU H . 25308 1 409 . 1 1 38 38 LEU HA H 1 4.420 0.005 . 1 . . . A 38 LEU HA . 25308 1 410 . 1 1 38 38 LEU HB2 H 1 1.574 0.005 . 2 . . . A 38 LEU HB2 . 25308 1 411 . 1 1 38 38 LEU HB3 H 1 1.574 0.005 . 2 . . . A 38 LEU HB3 . 25308 1 412 . 1 1 38 38 LEU HG H 1 1.221 0.005 . 1 . . . A 38 LEU HG . 25308 1 413 . 1 1 38 38 LEU HD11 H 1 0.650 0.005 . 2 . . . A 38 LEU HD11 . 25308 1 414 . 1 1 38 38 LEU HD12 H 1 0.650 0.005 . 2 . . . A 38 LEU HD12 . 25308 1 415 . 1 1 38 38 LEU HD13 H 1 0.650 0.005 . 2 . . . A 38 LEU HD13 . 25308 1 416 . 1 1 38 38 LEU HD21 H 1 0.496 0.005 . 2 . . . A 38 LEU HD21 . 25308 1 417 . 1 1 38 38 LEU HD22 H 1 0.496 0.005 . 2 . . . A 38 LEU HD22 . 25308 1 418 . 1 1 38 38 LEU HD23 H 1 0.496 0.005 . 2 . . . A 38 LEU HD23 . 25308 1 419 . 1 1 38 38 LEU C C 13 176.0 0.1 . 1 . . . A 38 LEU C . 25308 1 420 . 1 1 38 38 LEU CA C 13 54.0 0.1 . 1 . . . A 38 LEU CA . 25308 1 421 . 1 1 38 38 LEU CB C 13 45.8 0.1 . 1 . . . A 38 LEU CB . 25308 1 422 . 1 1 38 38 LEU N N 15 120.9 0.01 . 1 . . . A 38 LEU N . 25308 1 423 . 1 1 39 39 LEU H H 1 8.465 0.005 . 1 . . . A 39 LEU H . 25308 1 424 . 1 1 39 39 LEU HA H 1 4.960 0.005 . 1 . . . A 39 LEU HA . 25308 1 425 . 1 1 39 39 LEU HB2 H 1 1.780 0.005 . 2 . . . A 39 LEU HB2 . 25308 1 426 . 1 1 39 39 LEU HB3 H 1 1.780 0.005 . 2 . . . A 39 LEU HB3 . 25308 1 427 . 1 1 39 39 LEU HG H 1 1.518 0.005 . 1 . . . A 39 LEU HG . 25308 1 428 . 1 1 39 39 LEU HD11 H 1 0.805 0.005 . 2 . . . A 39 LEU HD11 . 25308 1 429 . 1 1 39 39 LEU HD12 H 1 0.805 0.005 . 2 . . . A 39 LEU HD12 . 25308 1 430 . 1 1 39 39 LEU HD13 H 1 0.805 0.005 . 2 . . . A 39 LEU HD13 . 25308 1 431 . 1 1 39 39 LEU HD21 H 1 0.810 0.005 . 2 . . . A 39 LEU HD21 . 25308 1 432 . 1 1 39 39 LEU HD22 H 1 0.810 0.005 . 2 . . . A 39 LEU HD22 . 25308 1 433 . 1 1 39 39 LEU HD23 H 1 0.810 0.005 . 2 . . . A 39 LEU HD23 . 25308 1 434 . 1 1 39 39 LEU C C 13 178.0 0.01 . 1 . . . A 39 LEU C . 25308 1 435 . 1 1 39 39 LEU CA C 13 53.4 0.1 . 1 . . . A 39 LEU CA . 25308 1 436 . 1 1 39 39 LEU CB C 13 39.6 0.1 . 1 . . . A 39 LEU CB . 25308 1 437 . 1 1 39 39 LEU CD1 C 13 25.0 0.1 . 2 . . . A 39 LEU CD1 . 25308 1 438 . 1 1 39 39 LEU CD2 C 13 25.0 0.1 . 2 . . . A 39 LEU CD2 . 25308 1 439 . 1 1 39 39 LEU N N 15 120.2 0.01 . 1 . . . A 39 LEU N . 25308 1 440 . 1 1 40 40 ASP H H 1 9.825 0.005 . 1 . . . A 40 ASP H . 25308 1 441 . 1 1 40 40 ASP HA H 1 4.190 0.005 . 1 . . . A 40 ASP HA . 25308 1 442 . 1 1 40 40 ASP HB2 H 1 2.881 0.005 . 2 . . . A 40 ASP HB2 . 25308 1 443 . 1 1 40 40 ASP HB3 H 1 2.881 0.005 . 2 . . . A 40 ASP HB3 . 25308 1 444 . 1 1 40 40 ASP C C 13 175.2 0.1 . 1 . . . A 40 ASP C . 25308 1 445 . 1 1 40 40 ASP CA C 13 57.1 0.1 . 1 . . . A 40 ASP CA . 25308 1 446 . 1 1 40 40 ASP CB C 13 39.4 0.1 . 1 . . . A 40 ASP CB . 25308 1 447 . 1 1 40 40 ASP N N 15 126.4 0.01 . 1 . . . A 40 ASP N . 25308 1 448 . 1 1 41 41 ASP H H 1 7.359 0.005 . 1 . . . A 41 ASP H . 25308 1 449 . 1 1 41 41 ASP HA H 1 4.480 0.005 . 1 . . . A 41 ASP HA . 25308 1 450 . 1 1 41 41 ASP HB2 H 1 2.690 0.005 . 2 . . . A 41 ASP HB2 . 25308 1 451 . 1 1 41 41 ASP HB3 H 1 2.690 0.005 . 2 . . . A 41 ASP HB3 . 25308 1 452 . 1 1 41 41 ASP N N 15 125.7 0.01 . 1 . . . A 41 ASP N . 25308 1 453 . 1 1 42 42 GLU H H 1 8.107 0.005 . 1 . . . A 42 GLU H . 25308 1 454 . 1 1 42 42 GLU HA H 1 4.939 0.005 . 1 . . . A 42 GLU HA . 25308 1 455 . 1 1 42 42 GLU HB2 H 1 2.015 0.005 . 2 . . . A 42 GLU HB2 . 25308 1 456 . 1 1 42 42 GLU HB3 H 1 2.015 0.005 . 2 . . . A 42 GLU HB3 . 25308 1 457 . 1 1 42 42 GLU HG2 H 1 2.310 0.005 . 2 . . . A 42 GLU HG2 . 25308 1 458 . 1 1 42 42 GLU HG3 H 1 2.310 0.005 . 2 . . . A 42 GLU HG3 . 25308 1 459 . 1 1 42 42 GLU C C 13 173.9 0.1 . 1 . . . A 42 GLU C . 25308 1 460 . 1 1 42 42 GLU CA C 13 52.9 0.1 . 1 . . . A 42 GLU CA . 25308 1 461 . 1 1 42 42 GLU CB C 13 31.3 0.1 . 1 . . . A 42 GLU CB . 25308 1 462 . 1 1 42 42 GLU N N 15 122.7 0.01 . 1 . . . A 42 GLU N . 25308 1 463 . 1 1 43 43 PRO HA H 1 5.000 0.005 . 1 . . . A 43 PRO HA . 25308 1 464 . 1 1 43 43 PRO HB2 H 1 1.850 0.005 . 2 . . . A 43 PRO HB2 . 25308 1 465 . 1 1 43 43 PRO HB3 H 1 1.850 0.005 . 2 . . . A 43 PRO HB3 . 25308 1 466 . 1 1 43 43 PRO HG2 H 1 2.080 0.005 . 2 . . . A 43 PRO HG2 . 25308 1 467 . 1 1 43 43 PRO HG3 H 1 2.080 0.005 . 2 . . . A 43 PRO HG3 . 25308 1 468 . 1 1 43 43 PRO HD2 H 1 3.790 0.005 . 2 . . . A 43 PRO HD2 . 25308 1 469 . 1 1 43 43 PRO HD3 H 1 3.790 0.005 . 2 . . . A 43 PRO HD3 . 25308 1 470 . 1 1 43 43 PRO CA C 13 62.7 0.1 . 1 . . . A 43 PRO CA . 25308 1 471 . 1 1 43 43 PRO CB C 13 32.0 0.1 . 1 . . . A 43 PRO CB . 25308 1 472 . 1 1 43 43 PRO CG C 13 27.2 0.1 . 1 . . . A 43 PRO CG . 25308 1 473 . 1 1 43 43 PRO CD C 13 51.3 0.1 . 1 . . . A 43 PRO CD . 25308 1 474 . 1 1 44 44 VAL H H 1 8.416 0.005 . 1 . . . A 44 VAL H . 25308 1 475 . 1 1 44 44 VAL HA H 1 4.161 0.005 . 1 . . . A 44 VAL HA . 25308 1 476 . 1 1 44 44 VAL HB H 1 1.894 0.005 . 1 . . . A 44 VAL HB . 25308 1 477 . 1 1 44 44 VAL HG11 H 1 0.630 0.005 . 2 . . . A 44 VAL HG11 . 25308 1 478 . 1 1 44 44 VAL HG12 H 1 0.630 0.005 . 2 . . . A 44 VAL HG12 . 25308 1 479 . 1 1 44 44 VAL HG13 H 1 0.630 0.005 . 2 . . . A 44 VAL HG13 . 25308 1 480 . 1 1 44 44 VAL HG21 H 1 0.830 0.005 . 2 . . . A 44 VAL HG21 . 25308 1 481 . 1 1 44 44 VAL HG22 H 1 0.830 0.005 . 2 . . . A 44 VAL HG22 . 25308 1 482 . 1 1 44 44 VAL HG23 H 1 0.830 0.005 . 2 . . . A 44 VAL HG23 . 25308 1 483 . 1 1 44 44 VAL C C 13 173.7 0.1 . 1 . . . A 44 VAL C . 25308 1 484 . 1 1 44 44 VAL CA C 13 61.3 0.1 . 1 . . . A 44 VAL CA . 25308 1 485 . 1 1 44 44 VAL CB C 13 33.6 0.1 . 1 . . . A 44 VAL CB . 25308 1 486 . 1 1 44 44 VAL CG1 C 13 20.1 0.1 . 2 . . . A 44 VAL CG1 . 25308 1 487 . 1 1 44 44 VAL CG2 C 13 22.0 0.1 . 2 . . . A 44 VAL CG2 . 25308 1 488 . 1 1 44 44 VAL N N 15 122.8 0.01 . 1 . . . A 44 VAL N . 25308 1 489 . 1 1 45 45 ARG H H 1 8.141 0.005 . 1 . . . A 45 ARG H . 25308 1 490 . 1 1 45 45 ARG HA H 1 4.884 0.005 . 1 . . . A 45 ARG HA . 25308 1 491 . 1 1 45 45 ARG HB2 H 1 1.800 0.005 . 2 . . . A 45 ARG HB2 . 25308 1 492 . 1 1 45 45 ARG HB3 H 1 1.800 0.005 . 2 . . . A 45 ARG HB3 . 25308 1 493 . 1 1 45 45 ARG HG2 H 1 1.414 0.005 . 2 . . . A 45 ARG HG2 . 25308 1 494 . 1 1 45 45 ARG HG3 H 1 1.414 0.005 . 2 . . . A 45 ARG HG3 . 25308 1 495 . 1 1 45 45 ARG HD2 H 1 3.225 0.005 . 2 . . . A 45 ARG HD2 . 25308 1 496 . 1 1 45 45 ARG HD3 H 1 3.225 0.005 . 2 . . . A 45 ARG HD3 . 25308 1 497 . 1 1 45 45 ARG C C 13 174.2 0.1 . 1 . . . A 45 ARG C . 25308 1 498 . 1 1 45 45 ARG CA C 13 54.0 0.1 . 1 . . . A 45 ARG CA . 25308 1 499 . 1 1 45 45 ARG CB C 13 31.5 0.1 . 1 . . . A 45 ARG CB . 25308 1 500 . 1 1 45 45 ARG CG C 13 29.4 0.1 . 1 . . . A 45 ARG CG . 25308 1 501 . 1 1 45 45 ARG CD C 13 42.5 0.1 . 1 . . . A 45 ARG CD . 25308 1 502 . 1 1 45 45 ARG N N 15 124.8 0.01 . 1 . . . A 45 ARG N . 25308 1 503 . 1 1 46 46 THR H H 1 8.621 0.005 . 1 . . . A 46 THR H . 25308 1 504 . 1 1 46 46 THR HA H 1 4.230 0.005 . 1 . . . A 46 THR HA . 25308 1 505 . 1 1 46 46 THR HB H 1 4.177 0.005 . 1 . . . A 46 THR HB . 25308 1 506 . 1 1 46 46 THR HG21 H 1 1.393 0.005 . 1 . . . A 46 THR HG21 . 25308 1 507 . 1 1 46 46 THR HG22 H 1 1.393 0.005 . 1 . . . A 46 THR HG22 . 25308 1 508 . 1 1 46 46 THR HG23 H 1 1.393 0.005 . 1 . . . A 46 THR HG23 . 25308 1 509 . 1 1 46 46 THR C C 13 174.4 0.1 . 1 . . . A 46 THR C . 25308 1 510 . 1 1 46 46 THR CA C 13 64.2 0.1 . 1 . . . A 46 THR CA . 25308 1 511 . 1 1 46 46 THR CB C 13 69.2 0.1 . 1 . . . A 46 THR CB . 25308 1 512 . 1 1 46 46 THR CG2 C 13 21.9 0.1 . 1 . . . A 46 THR CG2 . 25308 1 513 . 1 1 46 46 THR N N 15 118.4 0.01 . 1 . . . A 46 THR N . 25308 1 514 . 1 1 47 47 SER H H 1 9.39 0.005 . 1 . . . A 47 SER H . 25308 1 515 . 1 1 47 47 SER HA H 1 4.753 0.005 . 1 . . . A 47 SER HA . 25308 1 516 . 1 1 47 47 SER HB2 H 1 4.300 0.005 . 2 . . . A 47 SER HB2 . 25308 1 517 . 1 1 47 47 SER HB3 H 1 4.300 0.005 . 2 . . . A 47 SER HB3 . 25308 1 518 . 1 1 47 47 SER C C 13 174.8 0.1 . 1 . . . A 47 SER C . 25308 1 519 . 1 1 47 47 SER CA C 13 58.3 0.1 . 1 . . . A 47 SER CA . 25308 1 520 . 1 1 47 47 SER CB C 13 64.6 0.1 . 1 . . . A 47 SER CB . 25308 1 521 . 1 1 47 47 SER N N 15 121.8 0.01 . 1 . . . A 47 SER N . 25308 1 522 . 1 1 48 48 GLU H H 1 9.136 0.005 . 1 . . . A 48 GLU H . 25308 1 523 . 1 1 48 48 GLU HA H 1 4.090 0.005 . 1 . . . A 48 GLU HA . 25308 1 524 . 1 1 48 48 GLU HB2 H 1 1.976 0.005 . 2 . . . A 48 GLU HB2 . 25308 1 525 . 1 1 48 48 GLU HB3 H 1 1.976 0.005 . 2 . . . A 48 GLU HB3 . 25308 1 526 . 1 1 48 48 GLU HG2 H 1 2.270 0.005 . 2 . . . A 48 GLU HG2 . 25308 1 527 . 1 1 48 48 GLU HG3 H 1 2.270 0.005 . 2 . . . A 48 GLU HG3 . 25308 1 528 . 1 1 48 48 GLU C C 13 176.8 0.1 . 1 . . . A 48 GLU C . 25308 1 529 . 1 1 48 48 GLU CA C 13 59.7 0.1 . 1 . . . A 48 GLU CA . 25308 1 530 . 1 1 48 48 GLU CB C 13 29.1 0.1 . 1 . . . A 48 GLU CB . 25308 1 531 . 1 1 48 48 GLU N N 15 119.9 0.01 . 1 . . . A 48 GLU N . 25308 1 532 . 1 1 49 49 ASN H H 1 8.223 0.005 . 1 . . . A 49 ASN H . 25308 1 533 . 1 1 49 49 ASN HA H 1 4.890 0.005 . 1 . . . A 49 ASN HA . 25308 1 534 . 1 1 49 49 ASN HB2 H 1 2.567 0.005 . 2 . . . A 49 ASN HB2 . 25308 1 535 . 1 1 49 49 ASN HB3 H 1 3.280 0.005 . 2 . . . A 49 ASN HB3 . 25308 1 536 . 1 1 49 49 ASN C C 13 173.8 0.1 . 1 . . . A 49 ASN C . 25308 1 537 . 1 1 49 49 ASN CA C 13 52.7 0.1 . 1 . . . A 49 ASN CA . 25308 1 538 . 1 1 49 49 ASN CB C 13 39.6 0.1 . 1 . . . A 49 ASN CB . 25308 1 539 . 1 1 49 49 ASN N N 15 113.0 0.01 . 1 . . . A 49 ASN N . 25308 1 540 . 1 1 50 50 ALA H H 1 7.446 0.005 . 1 . . . A 50 ALA H . 25308 1 541 . 1 1 50 50 ALA HA H 1 5.385 0.005 . 1 . . . A 50 ALA HA . 25308 1 542 . 1 1 50 50 ALA HB1 H 1 1.120 0.005 . 1 . . . A 50 ALA HB1 . 25308 1 543 . 1 1 50 50 ALA HB2 H 1 1.120 0.005 . 1 . . . A 50 ALA HB2 . 25308 1 544 . 1 1 50 50 ALA HB3 H 1 1.120 0.005 . 1 . . . A 50 ALA HB3 . 25308 1 545 . 1 1 50 50 ALA C C 13 175.0 0.1 . 1 . . . A 50 ALA C . 25308 1 546 . 1 1 50 50 ALA CA C 13 52.0 0.1 . 1 . . . A 50 ALA CA . 25308 1 547 . 1 1 50 50 ALA CB C 13 21.7 0.1 . 1 . . . A 50 ALA CB . 25308 1 548 . 1 1 50 50 ALA N N 15 123.5 0.01 . 1 . . . A 50 ALA N . 25308 1 549 . 1 1 51 51 GLU H H 1 9.148 0.005 . 1 . . . A 51 GLU H . 25308 1 550 . 1 1 51 51 GLU HA H 1 4.630 0.005 . 1 . . . A 51 GLU HA . 25308 1 551 . 1 1 51 51 GLU HB2 H 1 2.152 0.005 . 2 . . . A 51 GLU HB2 . 25308 1 552 . 1 1 51 51 GLU HB3 H 1 2.152 0.005 . 2 . . . A 51 GLU HB3 . 25308 1 553 . 1 1 51 51 GLU HG2 H 1 1.904 0.005 . 2 . . . A 51 GLU HG2 . 25308 1 554 . 1 1 51 51 GLU HG3 H 1 1.904 0.005 . 2 . . . A 51 GLU HG3 . 25308 1 555 . 1 1 51 51 GLU C C 13 174.0 0.1 . 1 . . . A 51 GLU C . 25308 1 556 . 1 1 51 51 GLU CA C 13 55.3 0.1 . 1 . . . A 51 GLU CA . 25308 1 557 . 1 1 51 51 GLU CB C 13 33.1 0.1 . 1 . . . A 51 GLU CB . 25308 1 558 . 1 1 51 51 GLU N N 15 122.2 0.01 . 1 . . . A 51 GLU N . 25308 1 559 . 1 1 52 52 VAL H H 1 7.990 0.005 . 1 . . . A 52 VAL H . 25308 1 560 . 1 1 52 52 VAL HA H 1 4.560 0.005 . 1 . . . A 52 VAL HA . 25308 1 561 . 1 1 52 52 VAL HB H 1 2.067 0.005 . 1 . . . A 52 VAL HB . 25308 1 562 . 1 1 52 52 VAL HG11 H 1 0.787 0.005 . 2 . . . A 52 VAL HG11 . 25308 1 563 . 1 1 52 52 VAL HG12 H 1 0.787 0.005 . 2 . . . A 52 VAL HG12 . 25308 1 564 . 1 1 52 52 VAL HG13 H 1 0.787 0.005 . 2 . . . A 52 VAL HG13 . 25308 1 565 . 1 1 52 52 VAL HG21 H 1 0.797 0.005 . 2 . . . A 52 VAL HG21 . 25308 1 566 . 1 1 52 52 VAL HG22 H 1 0.797 0.005 . 2 . . . A 52 VAL HG22 . 25308 1 567 . 1 1 52 52 VAL HG23 H 1 0.797 0.005 . 2 . . . A 52 VAL HG23 . 25308 1 568 . 1 1 52 52 VAL C C 13 176.0 0.1 . 1 . . . A 52 VAL C . 25308 1 569 . 1 1 52 52 VAL CA C 13 61.4 0.1 . 1 . . . A 52 VAL CA . 25308 1 570 . 1 1 52 52 VAL CB C 13 33.3 0.1 . 1 . . . A 52 VAL CB . 25308 1 571 . 1 1 52 52 VAL CG1 C 13 21.2 0.1 . 2 . . . A 52 VAL CG1 . 25308 1 572 . 1 1 52 52 VAL CG2 C 13 20.0 0.1 . 2 . . . A 52 VAL CG2 . 25308 1 573 . 1 1 52 52 VAL N N 15 124.1 0.01 . 1 . . . A 52 VAL N . 25308 1 574 . 1 1 53 53 VAL H H 1 8.972 0.005 . 1 . . . A 53 VAL H . 25308 1 575 . 1 1 53 53 VAL HA H 1 4.560 0.005 . 1 . . . A 53 VAL HA . 25308 1 576 . 1 1 53 53 VAL HB H 1 1.783 0.005 . 1 . . . A 53 VAL HB . 25308 1 577 . 1 1 53 53 VAL HG11 H 1 0.790 0.005 . 2 . . . A 53 VAL HG11 . 25308 1 578 . 1 1 53 53 VAL HG12 H 1 0.790 0.005 . 2 . . . A 53 VAL HG12 . 25308 1 579 . 1 1 53 53 VAL HG13 H 1 0.790 0.005 . 2 . . . A 53 VAL HG13 . 25308 1 580 . 1 1 53 53 VAL HG21 H 1 0.640 0.005 . 2 . . . A 53 VAL HG21 . 25308 1 581 . 1 1 53 53 VAL HG22 H 1 0.640 0.005 . 2 . . . A 53 VAL HG22 . 25308 1 582 . 1 1 53 53 VAL HG23 H 1 0.640 0.005 . 2 . . . A 53 VAL HG23 . 25308 1 583 . 1 1 53 53 VAL C C 13 174.7 0.1 . 1 . . . A 53 VAL C . 25308 1 584 . 1 1 53 53 VAL CA C 13 60.3 0.1 . 1 . . . A 53 VAL CA . 25308 1 585 . 1 1 53 53 VAL CB C 13 36.8 0.1 . 1 . . . A 53 VAL CB . 25308 1 586 . 1 1 53 53 VAL N N 15 123.6 0.01 . 1 . . . A 53 VAL N . 25308 1 587 . 1 1 54 54 PHE H H 1 7.507 0.005 . 1 . . . A 54 PHE H . 25308 1 588 . 1 1 54 54 PHE HA H 1 5.238 0.005 . 1 . . . A 54 PHE HA . 25308 1 589 . 1 1 54 54 PHE HB2 H 1 2.338 0.005 . 2 . . . A 54 PHE HB2 . 25308 1 590 . 1 1 54 54 PHE C C 13 173.2 0.1 . 1 . . . A 54 PHE C . 25308 1 591 . 1 1 54 54 PHE CA C 13 55.9 0.1 . 1 . . . A 54 PHE CA . 25308 1 592 . 1 1 54 54 PHE CB C 13 40.9 0.1 . 1 . . . A 54 PHE CB . 25308 1 593 . 1 1 54 54 PHE N N 15 119.0 0.01 . 1 . . . A 54 PHE N . 25308 1 594 . 1 1 55 55 PHE H H 1 9.279 0.005 . 1 . . . A 55 PHE H . 25308 1 595 . 1 1 55 55 PHE HA H 1 5.008 0.005 . 1 . . . A 55 PHE HA . 25308 1 596 . 1 1 55 55 PHE HB2 H 1 2.577 0.005 . 2 . . . A 55 PHE HB2 . 25308 1 597 . 1 1 55 55 PHE HB3 H 1 2.577 0.005 . 2 . . . A 55 PHE HB3 . 25308 1 598 . 1 1 55 55 PHE C C 13 176.6 0.1 . 1 . . . A 55 PHE C . 25308 1 599 . 1 1 55 55 PHE CA C 13 56.8 0.1 . 1 . . . A 55 PHE CA . 25308 1 600 . 1 1 55 55 PHE CB C 13 43.8 0.1 . 1 . . . A 55 PHE CB . 25308 1 601 . 1 1 55 55 PHE N N 15 117.4 0.01 . 1 . . . A 55 PHE N . 25308 1 602 . 1 1 56 56 GLU H H 1 9.731 0.005 . 1 . . . A 56 GLU H . 25308 1 603 . 1 1 56 56 GLU HA H 1 3.959 0.005 . 1 . . . A 56 GLU HA . 25308 1 604 . 1 1 56 56 GLU HB2 H 1 2.07 0.005 . 2 . . . A 56 GLU HB2 . 25308 1 605 . 1 1 56 56 GLU HB3 H 1 2.07 0.005 . 2 . . . A 56 GLU HB3 . 25308 1 606 . 1 1 56 56 GLU HG2 H 1 2.33 0.005 . 2 . . . A 56 GLU HG2 . 25308 1 607 . 1 1 56 56 GLU HG3 H 1 2.33 0.005 . 2 . . . A 56 GLU HG3 . 25308 1 608 . 1 1 56 56 GLU C C 13 177.3 0.1 . 1 . . . A 56 GLU C . 25308 1 609 . 1 1 56 56 GLU CA C 13 56.0 0.1 . 1 . . . A 56 GLU CA . 25308 1 610 . 1 1 56 56 GLU CB C 13 27.4 0.1 . 1 . . . A 56 GLU CB . 25308 1 611 . 1 1 56 56 GLU N N 15 120.3 0.01 . 1 . . . A 56 GLU N . 25308 1 612 . 1 1 57 57 ASN H H 1 9.146 0.005 . 1 . . . A 57 ASN H . 25308 1 613 . 1 1 57 57 ASN HA H 1 4.296 0.005 . 1 . . . A 57 ASN HA . 25308 1 614 . 1 1 57 57 ASN HB2 H 1 2.959 0.005 . 2 . . . A 57 ASN HB2 . 25308 1 615 . 1 1 57 57 ASN HB3 H 1 2.959 0.005 . 2 . . . A 57 ASN HB3 . 25308 1 616 . 1 1 57 57 ASN C C 13 173.3 0.1 . 1 . . . A 57 ASN C . 25308 1 617 . 1 1 57 57 ASN CA C 13 54.3 0.1 . 1 . . . A 57 ASN CA . 25308 1 618 . 1 1 57 57 ASN CB C 13 37.6 0.1 . 1 . . . A 57 ASN CB . 25308 1 619 . 1 1 57 57 ASN N N 15 111.6 0.01 . 1 . . . A 57 ASN N . 25308 1 620 . 1 1 58 58 GLY H H 1 7.356 0.005 . 1 . . . A 58 GLY H . 25308 1 621 . 1 1 58 58 GLY HA2 H 1 4.077 0.005 . 2 . . . A 58 GLY HA2 . 25308 1 622 . 1 1 58 58 GLY HA3 H 1 4.077 0.005 . 2 . . . A 58 GLY HA3 . 25308 1 623 . 1 1 58 58 GLY CA C 13 45.0 0.1 . 1 . . . A 58 GLY CA . 25308 1 624 . 1 1 58 58 GLY N N 15 103.5 0.01 . 1 . . . A 58 GLY N . 25308 1 625 . 1 1 59 59 LEU H H 1 7.341 0.005 . 1 . . . A 59 LEU H . 25308 1 626 . 1 1 59 59 LEU HA H 1 4.299 0.005 . 1 . . . A 59 LEU HA . 25308 1 627 . 1 1 59 59 LEU HB2 H 1 1.850 0.005 . 2 . . . A 59 LEU HB2 . 25308 1 628 . 1 1 59 59 LEU HB3 H 1 1.850 0.005 . 2 . . . A 59 LEU HB3 . 25308 1 629 . 1 1 59 59 LEU HG H 1 1.430 0.005 . 1 . . . A 59 LEU HG . 25308 1 630 . 1 1 59 59 LEU HD11 H 1 0.954 0.005 . 2 . . . A 59 LEU HD11 . 25308 1 631 . 1 1 59 59 LEU HD12 H 1 0.954 0.005 . 2 . . . A 59 LEU HD12 . 25308 1 632 . 1 1 59 59 LEU HD13 H 1 0.954 0.005 . 2 . . . A 59 LEU HD13 . 25308 1 633 . 1 1 59 59 LEU HD21 H 1 0.570 0.005 . 2 . . . A 59 LEU HD21 . 25308 1 634 . 1 1 59 59 LEU HD22 H 1 0.570 0.005 . 2 . . . A 59 LEU HD22 . 25308 1 635 . 1 1 59 59 LEU HD23 H 1 0.570 0.005 . 2 . . . A 59 LEU HD23 . 25308 1 636 . 1 1 59 59 LEU C C 13 175.6 0.1 . 1 . . . A 59 LEU C . 25308 1 637 . 1 1 59 59 LEU CA C 13 56.6 0.1 . 1 . . . A 59 LEU CA . 25308 1 638 . 1 1 59 59 LEU CB C 13 43.5 0.1 . 1 . . . A 59 LEU CB . 25308 1 639 . 1 1 59 59 LEU CG C 13 26.8 0.1 . 1 . . . A 59 LEU CG . 25308 1 640 . 1 1 59 59 LEU CD1 C 13 24.8 0.1 . 2 . . . A 59 LEU CD1 . 25308 1 641 . 1 1 59 59 LEU CD2 C 13 26.8 0.1 . 2 . . . A 59 LEU CD2 . 25308 1 642 . 1 1 59 59 LEU N N 15 119.8 0.01 . 1 . . . A 59 LEU N . 25308 1 643 . 1 1 60 60 ARG H H 1 7.188 0.005 . 1 . . . A 60 ARG H . 25308 1 644 . 1 1 60 60 ARG HA H 1 5.211 0.005 . 1 . . . A 60 ARG HA . 25308 1 645 . 1 1 60 60 ARG HB2 H 1 1.682 0.005 . 2 . . . A 60 ARG HB2 . 25308 1 646 . 1 1 60 60 ARG HB3 H 1 1.682 0.005 . 2 . . . A 60 ARG HB3 . 25308 1 647 . 1 1 60 60 ARG HG2 H 1 1.378 0.005 . 2 . . . A 60 ARG HG2 . 25308 1 648 . 1 1 60 60 ARG HG3 H 1 1.378 0.005 . 2 . . . A 60 ARG HG3 . 25308 1 649 . 1 1 60 60 ARG HD2 H 1 2.975 0.005 . 2 . . . A 60 ARG HD2 . 25308 1 650 . 1 1 60 60 ARG HD3 H 1 2.975 0.005 . 2 . . . A 60 ARG HD3 . 25308 1 651 . 1 1 60 60 ARG C C 13 173.7 0.1 . 1 . . . A 60 ARG C . 25308 1 652 . 1 1 60 60 ARG CA C 13 54.8 0.1 . 1 . . . A 60 ARG CA . 25308 1 653 . 1 1 60 60 ARG CB C 13 33.9 0.1 . 1 . . . A 60 ARG CB . 25308 1 654 . 1 1 60 60 ARG CG C 13 27.6 0.1 . 1 . . . A 60 ARG CG . 25308 1 655 . 1 1 60 60 ARG CD C 13 43.7 0.1 . 1 . . . A 60 ARG CD . 25308 1 656 . 1 1 60 60 ARG N N 15 116.7 0.01 . 1 . . . A 60 ARG N . 25308 1 657 . 1 1 61 61 HIS H H 1 8.824 0.005 . 1 . . . A 61 HIS H . 25308 1 658 . 1 1 61 61 HIS HA H 1 4.840 0.005 . 1 . . . A 61 HIS HA . 25308 1 659 . 1 1 61 61 HIS HB2 H 1 3.200 0.005 . 2 . . . A 61 HIS HB2 . 25308 1 660 . 1 1 61 61 HIS HB3 H 1 2.370 0.005 . 2 . . . A 61 HIS HB3 . 25308 1 661 . 1 1 61 61 HIS C C 13 173.6 0.005 . 1 . . . A 61 HIS C . 25308 1 662 . 1 1 61 61 HIS CA C 13 56.8 0.1 . 1 . . . A 61 HIS CA . 25308 1 663 . 1 1 61 61 HIS CB C 13 35.9 0.1 . 1 . . . A 61 HIS CB . 25308 1 664 . 1 1 61 61 HIS N N 15 126.5 0.1 . 1 . . . A 61 HIS N . 25308 1 665 . 1 1 62 62 LEU H H 1 9.040 0.005 . 1 . . . A 62 LEU H . 25308 1 666 . 1 1 62 62 LEU HA H 1 5.630 0.005 . 1 . . . A 62 LEU HA . 25308 1 667 . 1 1 62 62 LEU HB2 H 1 1.620 0.005 . 2 . . . A 62 LEU HB2 . 25308 1 668 . 1 1 62 62 LEU HB3 H 1 1.620 0.005 . 2 . . . A 62 LEU HB3 . 25308 1 669 . 1 1 62 62 LEU HG H 1 1.150 0.005 . 1 . . . A 62 LEU HG . 25308 1 670 . 1 1 62 62 LEU HD11 H 1 0.867 0.005 . 2 . . . A 62 LEU HD11 . 25308 1 671 . 1 1 62 62 LEU HD12 H 1 0.867 0.005 . 2 . . . A 62 LEU HD12 . 25308 1 672 . 1 1 62 62 LEU HD13 H 1 0.867 0.005 . 2 . . . A 62 LEU HD13 . 25308 1 673 . 1 1 62 62 LEU HD21 H 1 0.640 0.005 . 2 . . . A 62 LEU HD21 . 25308 1 674 . 1 1 62 62 LEU HD22 H 1 0.640 0.005 . 2 . . . A 62 LEU HD22 . 25308 1 675 . 1 1 62 62 LEU HD23 H 1 0.640 0.005 . 2 . . . A 62 LEU HD23 . 25308 1 676 . 1 1 62 62 LEU C C 13 173.2 0.1 . 1 . . . A 62 LEU C . 25308 1 677 . 1 1 62 62 LEU CA C 13 55.0 0.1 . 1 . . . A 62 LEU CA . 25308 1 678 . 1 1 62 62 LEU CB C 13 47.0 0.1 . 1 . . . A 62 LEU CB . 25308 1 679 . 1 1 62 62 LEU CG C 13 28.2 0.1 . 1 . . . A 62 LEU CG . 25308 1 680 . 1 1 62 62 LEU CD1 C 13 26.0 0.1 . 2 . . . A 62 LEU CD1 . 25308 1 681 . 1 1 62 62 LEU CD2 C 13 26.0 0.1 . 2 . . . A 62 LEU CD2 . 25308 1 682 . 1 1 62 62 LEU N N 15 124.1 0.01 . 1 . . . A 62 LEU N . 25308 1 683 . 1 1 63 63 LEU H H 1 8.350 0.005 . 1 . . . A 63 LEU H . 25308 1 684 . 1 1 63 63 LEU HA H 1 4.521 0.005 . 1 . . . A 63 LEU HA . 25308 1 685 . 1 1 63 63 LEU HB2 H 1 1.670 0.005 . 2 . . . A 63 LEU HB2 . 25308 1 686 . 1 1 63 63 LEU HB3 H 1 1.670 0.005 . 2 . . . A 63 LEU HB3 . 25308 1 687 . 1 1 63 63 LEU HG H 1 1.470 0.005 . 1 . . . A 63 LEU HG . 25308 1 688 . 1 1 63 63 LEU HD11 H 1 1.630 0.005 . 2 . . . A 63 LEU HD11 . 25308 1 689 . 1 1 63 63 LEU HD12 H 1 1.630 0.005 . 2 . . . A 63 LEU HD12 . 25308 1 690 . 1 1 63 63 LEU HD13 H 1 1.630 0.005 . 2 . . . A 63 LEU HD13 . 25308 1 691 . 1 1 63 63 LEU HD21 H 1 0.820 0.005 . 2 . . . A 63 LEU HD21 . 25308 1 692 . 1 1 63 63 LEU HD22 H 1 0.820 0.005 . 2 . . . A 63 LEU HD22 . 25308 1 693 . 1 1 63 63 LEU HD23 H 1 0.820 0.005 . 2 . . . A 63 LEU HD23 . 25308 1 694 . 1 1 63 63 LEU C C 13 173.6 0.1 . 1 . . . A 63 LEU C . 25308 1 695 . 1 1 63 63 LEU CA C 13 52.8 0.1 . 1 . . . A 63 LEU CA . 25308 1 696 . 1 1 63 63 LEU CB C 13 42.7 0.1 . 1 . . . A 63 LEU CB . 25308 1 697 . 1 1 63 63 LEU CG C 13 27.0 0.1 . 1 . . . A 63 LEU CG . 25308 1 698 . 1 1 63 63 LEU CD1 C 13 23.3 0.1 . 2 . . . A 63 LEU CD1 . 25308 1 699 . 1 1 63 63 LEU CD2 C 13 23.3 0.1 . 2 . . . A 63 LEU CD2 . 25308 1 700 . 1 1 63 63 LEU N N 15 124.2 0.01 . 1 . . . A 63 LEU N . 25308 1 701 . 1 1 64 64 LEU H H 1 8.765 0.005 . 1 . . . A 64 LEU H . 25308 1 702 . 1 1 64 64 LEU HA H 1 5.200 0.005 . 1 . . . A 64 LEU HA . 25308 1 703 . 1 1 64 64 LEU HB2 H 1 1.718 0.005 . 2 . . . A 64 LEU HB2 . 25308 1 704 . 1 1 64 64 LEU HB3 H 1 1.718 0.005 . 2 . . . A 64 LEU HB3 . 25308 1 705 . 1 1 64 64 LEU HG H 1 1.290 0.005 . 1 . . . A 64 LEU HG . 25308 1 706 . 1 1 64 64 LEU HD11 H 1 0.800 0.005 . 2 . . . A 64 LEU HD11 . 25308 1 707 . 1 1 64 64 LEU HD12 H 1 0.800 0.005 . 2 . . . A 64 LEU HD12 . 25308 1 708 . 1 1 64 64 LEU HD13 H 1 0.800 0.005 . 2 . . . A 64 LEU HD13 . 25308 1 709 . 1 1 64 64 LEU HD21 H 1 0.320 0.005 . 2 . . . A 64 LEU HD21 . 25308 1 710 . 1 1 64 64 LEU HD22 H 1 0.320 0.005 . 2 . . . A 64 LEU HD22 . 25308 1 711 . 1 1 64 64 LEU HD23 H 1 0.320 0.005 . 2 . . . A 64 LEU HD23 . 25308 1 712 . 1 1 64 64 LEU C C 13 175.4 0.1 . 1 . . . A 64 LEU C . 25308 1 713 . 1 1 64 64 LEU CA C 13 53.5 0.1 . 1 . . . A 64 LEU CA . 25308 1 714 . 1 1 64 64 LEU CB C 13 44.7 0.1 . 1 . . . A 64 LEU CB . 25308 1 715 . 1 1 64 64 LEU CG C 13 27.4 0.1 . 1 . . . A 64 LEU CG . 25308 1 716 . 1 1 64 64 LEU CD1 C 13 25.5 0.1 . 2 . . . A 64 LEU CD1 . 25308 1 717 . 1 1 64 64 LEU CD2 C 13 23.3 0.1 . 2 . . . A 64 LEU CD2 . 25308 1 718 . 1 1 64 64 LEU N N 15 128.1 0.01 . 1 . . . A 64 LEU N . 25308 1 719 . 1 1 65 65 LEU H H 1 9.023 0.005 . 1 . . . A 65 LEU H . 25308 1 720 . 1 1 65 65 LEU HA H 1 5.110 0.005 . 1 . . . A 65 LEU HA . 25308 1 721 . 1 1 65 65 LEU HB2 H 1 1.702 0.005 . 2 . . . A 65 LEU HB2 . 25308 1 722 . 1 1 65 65 LEU HB3 H 1 1.702 0.005 . 2 . . . A 65 LEU HB3 . 25308 1 723 . 1 1 65 65 LEU HG H 1 1.283 0.005 . 1 . . . A 65 LEU HG . 25308 1 724 . 1 1 65 65 LEU HD11 H 1 0.799 0.005 . 2 . . . A 65 LEU HD11 . 25308 1 725 . 1 1 65 65 LEU HD12 H 1 0.799 0.005 . 2 . . . A 65 LEU HD12 . 25308 1 726 . 1 1 65 65 LEU HD13 H 1 0.799 0.005 . 2 . . . A 65 LEU HD13 . 25308 1 727 . 1 1 65 65 LEU HD21 H 1 0.359 0.005 . 2 . . . A 65 LEU HD21 . 25308 1 728 . 1 1 65 65 LEU HD22 H 1 0.359 0.005 . 2 . . . A 65 LEU HD22 . 25308 1 729 . 1 1 65 65 LEU HD23 H 1 0.359 0.005 . 2 . . . A 65 LEU HD23 . 25308 1 730 . 1 1 65 65 LEU C C 13 175.9 0.1 . 1 . . . A 65 LEU C . 25308 1 731 . 1 1 65 65 LEU CA C 13 53.1 0.1 . 1 . . . A 65 LEU CA . 25308 1 732 . 1 1 65 65 LEU CB C 13 45.1 0.1 . 1 . . . A 65 LEU CB . 25308 1 733 . 1 1 65 65 LEU CG C 13 26.3 0.1 . 1 . . . A 65 LEU CG . 25308 1 734 . 1 1 65 65 LEU CD1 C 13 22.7 0.1 . 2 . . . A 65 LEU CD1 . 25308 1 735 . 1 1 65 65 LEU CD2 C 13 22.7 0.1 . 2 . . . A 65 LEU CD2 . 25308 1 736 . 1 1 65 65 LEU N N 15 125.7 0.01 . 1 . . . A 65 LEU N . 25308 1 737 . 1 1 66 66 LYS H H 1 8.175 0.005 . 1 . . . A 66 LYS H . 25308 1 738 . 1 1 66 66 LYS HA H 1 4.777 0.005 . 1 . . . A 66 LYS HA . 25308 1 739 . 1 1 66 66 LYS HB2 H 1 1.855 0.005 . 2 . . . A 66 LYS HB2 . 25308 1 740 . 1 1 66 66 LYS HB3 H 1 1.855 0.005 . 2 . . . A 66 LYS HB3 . 25308 1 741 . 1 1 66 66 LYS HG2 H 1 1.212 0.005 . 2 . . . A 66 LYS HG2 . 25308 1 742 . 1 1 66 66 LYS HG3 H 1 1.212 0.005 . 2 . . . A 66 LYS HG3 . 25308 1 743 . 1 1 66 66 LYS HD2 H 1 1.542 0.005 . 2 . . . A 66 LYS HD2 . 25308 1 744 . 1 1 66 66 LYS HD3 H 1 1.542 0.005 . 2 . . . A 66 LYS HD3 . 25308 1 745 . 1 1 66 66 LYS HE2 H 1 3.020 0.005 . 2 . . . A 66 LYS HE2 . 25308 1 746 . 1 1 66 66 LYS HE3 H 1 3.020 0.005 . 2 . . . A 66 LYS HE3 . 25308 1 747 . 1 1 66 66 LYS C C 13 174.7 0.1 . 1 . . . A 66 LYS C . 25308 1 748 . 1 1 66 66 LYS CA C 13 54.7 0.1 . 1 . . . A 66 LYS CA . 25308 1 749 . 1 1 66 66 LYS CB C 13 36.7 0.1 . 1 . . . A 66 LYS CB . 25308 1 750 . 1 1 66 66 LYS CG C 13 24.3 0.1 . 1 . . . A 66 LYS CG . 25308 1 751 . 1 1 66 66 LYS CD C 13 29.1 0.1 . 1 . . . A 66 LYS CD . 25308 1 752 . 1 1 66 66 LYS CE C 13 42.2 0.1 . 1 . . . A 66 LYS CE . 25308 1 753 . 1 1 66 66 LYS N N 15 118.0 0.01 . 1 . . . A 66 LYS N . 25308 1 754 . 1 1 67 67 ASN H H 1 8.667 0.005 . 1 . . . A 67 ASN H . 25308 1 755 . 1 1 67 67 ASN HA H 1 4.006 0.005 . 1 . . . A 67 ASN HA . 25308 1 756 . 1 1 67 67 ASN HB2 H 1 2.783 0.005 . 2 . . . A 67 ASN HB2 . 25308 1 757 . 1 1 67 67 ASN HB3 H 1 2.783 0.005 . 2 . . . A 67 ASN HB3 . 25308 1 758 . 1 1 67 67 ASN C C 13 176.2 0.1 . 1 . . . A 67 ASN C . 25308 1 759 . 1 1 67 67 ASN CA C 13 53.9 0.1 . 1 . . . A 67 ASN CA . 25308 1 760 . 1 1 67 67 ASN CB C 13 36.7 0.1 . 1 . . . A 67 ASN CB . 25308 1 761 . 1 1 67 67 ASN N N 15 115.9 0.01 . 1 . . . A 67 ASN N . 25308 1 762 . 1 1 68 68 LEU H H 1 7.794 0.005 . 1 . . . A 68 LEU H . 25308 1 763 . 1 1 68 68 LEU HA H 1 4.020 0.005 . 1 . . . A 68 LEU HA . 25308 1 764 . 1 1 68 68 LEU HB2 H 1 1.458 0.005 . 2 . . . A 68 LEU HB2 . 25308 1 765 . 1 1 68 68 LEU HB3 H 1 1.458 0.005 . 2 . . . A 68 LEU HB3 . 25308 1 766 . 1 1 68 68 LEU HD11 H 1 1.189 0.005 . 2 . . . A 68 LEU HD11 . 25308 1 767 . 1 1 68 68 LEU HD12 H 1 1.189 0.005 . 2 . . . A 68 LEU HD12 . 25308 1 768 . 1 1 68 68 LEU HD13 H 1 1.189 0.005 . 2 . . . A 68 LEU HD13 . 25308 1 769 . 1 1 68 68 LEU HD21 H 1 0.806 0.005 . 2 . . . A 68 LEU HD21 . 25308 1 770 . 1 1 68 68 LEU HD22 H 1 0.806 0.005 . 2 . . . A 68 LEU HD22 . 25308 1 771 . 1 1 68 68 LEU HD23 H 1 0.806 0.005 . 2 . . . A 68 LEU HD23 . 25308 1 772 . 1 1 68 68 LEU C C 13 177.7 0.1 . 1 . . . A 68 LEU C . 25308 1 773 . 1 1 68 68 LEU CA C 13 56.4 0.1 . 1 . . . A 68 LEU CA . 25308 1 774 . 1 1 68 68 LEU CB C 13 43.7 0.1 . 1 . . . A 68 LEU CB . 25308 1 775 . 1 1 68 68 LEU CG C 13 26.7 0.1 . 1 . . . A 68 LEU CG . 25308 1 776 . 1 1 68 68 LEU CD1 C 13 22.9 0.1 . 2 . . . A 68 LEU CD1 . 25308 1 777 . 1 1 68 68 LEU CD2 C 13 22.9 0.1 . 2 . . . A 68 LEU CD2 . 25308 1 778 . 1 1 68 68 LEU N N 15 115.5 0.01 . 1 . . . A 68 LEU N . 25308 1 779 . 1 1 69 69 ARG H H 1 9.456 0.005 . 1 . . . A 69 ARG H . 25308 1 780 . 1 1 69 69 ARG HA H 1 4.790 0.005 . 1 . . . A 69 ARG HA . 25308 1 781 . 1 1 69 69 ARG HB2 H 1 1.460 0.005 . 2 . . . A 69 ARG HB2 . 25308 1 782 . 1 1 69 69 ARG HB3 H 1 1.460 0.005 . 2 . . . A 69 ARG HB3 . 25308 1 783 . 1 1 69 69 ARG HG2 H 1 1.790 0.005 . 2 . . . A 69 ARG HG2 . 25308 1 784 . 1 1 69 69 ARG HG3 H 1 1.790 0.005 . 2 . . . A 69 ARG HG3 . 25308 1 785 . 1 1 69 69 ARG HD2 H 1 3.080 0.005 . 2 . . . A 69 ARG HD2 . 25308 1 786 . 1 1 69 69 ARG HD3 H 1 3.080 0.005 . 2 . . . A 69 ARG HD3 . 25308 1 787 . 1 1 69 69 ARG C C 13 175.1 0.1 . 1 . . . A 69 ARG C . 25308 1 788 . 1 1 69 69 ARG CA C 13 53.1 0.1 . 1 . . . A 69 ARG CA . 25308 1 789 . 1 1 69 69 ARG CB C 13 30.5 0.1 . 1 . . . A 69 ARG CB . 25308 1 790 . 1 1 69 69 ARG N N 15 122.4 0.01 . 1 . . . A 69 ARG N . 25308 1 791 . 1 1 70 70 PRO HA H 1 4.173 0.005 . 1 . . . A 70 PRO HA . 25308 1 792 . 1 1 70 70 PRO HB2 H 1 2.069 0.005 . 2 . . . A 70 PRO HB2 . 25308 1 793 . 1 1 70 70 PRO HB3 H 1 2.069 0.005 . 2 . . . A 70 PRO HB3 . 25308 1 794 . 1 1 70 70 PRO HD2 H 1 3.577 0.005 . 2 . . . A 70 PRO HD2 . 25308 1 795 . 1 1 70 70 PRO HD3 H 1 3.577 0.005 . 2 . . . A 70 PRO HD3 . 25308 1 796 . 1 1 70 70 PRO C C 13 178.3 0.1 . 1 . . . A 70 PRO C . 25308 1 797 . 1 1 70 70 PRO CA C 13 66.0 0.1 . 1 . . . A 70 PRO CA . 25308 1 798 . 1 1 70 70 PRO CB C 13 31.6 0.1 . 1 . . . A 70 PRO CB . 25308 1 799 . 1 1 70 70 PRO CG C 13 28.0 0.1 . 1 . . . A 70 PRO CG . 25308 1 800 . 1 1 70 70 PRO CD C 13 52.5 0.1 . 1 . . . A 70 PRO CD . 25308 1 801 . 1 1 71 71 GLN H H 1 8.810 0.005 . 1 . . . A 71 GLN H . 25308 1 802 . 1 1 71 71 GLN HA H 1 4.263 0.005 . 1 . . . A 71 GLN HA . 25308 1 803 . 1 1 71 71 GLN HB2 H 1 2.088 0.005 . 2 . . . A 71 GLN HB2 . 25308 1 804 . 1 1 71 71 GLN HB3 H 1 2.088 0.005 . 2 . . . A 71 GLN HB3 . 25308 1 805 . 1 1 71 71 GLN HG2 H 1 2.300 0.005 . 2 . . . A 71 GLN HG2 . 25308 1 806 . 1 1 71 71 GLN HG3 H 1 2.300 0.005 . 2 . . . A 71 GLN HG3 . 25308 1 807 . 1 1 71 71 GLN C C 13 175.4 0.1 . 1 . . . A 71 GLN C . 25308 1 808 . 1 1 71 71 GLN CA C 13 57.4 0.1 . 1 . . . A 71 GLN CA . 25308 1 809 . 1 1 71 71 GLN CB C 13 28.0 0.1 . 1 . . . A 71 GLN CB . 25308 1 810 . 1 1 71 71 GLN CG C 13 33.0 0.1 . 1 . . . A 71 GLN CG . 25308 1 811 . 1 1 71 71 GLN N N 15 114.2 0.01 . 1 . . . A 71 GLN N . 25308 1 812 . 1 1 72 72 ASP H H 1 8.354 0.005 . 1 . . . A 72 ASP H . 25308 1 813 . 1 1 72 72 ASP HA H 1 5.012 0.005 . 1 . . . A 72 ASP HA . 25308 1 814 . 1 1 72 72 ASP HB2 H 1 2.623 0.005 . 2 . . . A 72 ASP HB2 . 25308 1 815 . 1 1 72 72 ASP HB3 H 1 1.922 0.005 . 2 . . . A 72 ASP HB3 . 25308 1 816 . 1 1 72 72 ASP C C 13 175.3 0.1 . 1 . . . A 72 ASP C . 25308 1 817 . 1 1 72 72 ASP CA C 13 55.5 0.1 . 1 . . . A 72 ASP CA . 25308 1 818 . 1 1 72 72 ASP CB C 13 41.5 0.1 . 1 . . . A 72 ASP CB . 25308 1 819 . 1 1 72 72 ASP N N 15 120.5 0.01 . 1 . . . A 72 ASP N . 25308 1 820 . 1 1 73 73 SER H H 1 7.385 0.005 . 1 . . . A 73 SER H . 25308 1 821 . 1 1 73 73 SER HA H 1 4.842 0.005 . 1 . . . A 73 SER HA . 25308 1 822 . 1 1 73 73 SER HB2 H 1 3.097 0.005 . 2 . . . A 73 SER HB2 . 25308 1 823 . 1 1 73 73 SER HB3 H 1 3.097 0.005 . 2 . . . A 73 SER HB3 . 25308 1 824 . 1 1 73 73 SER C C 13 175.4 0.1 . 1 . . . A 73 SER C . 25308 1 825 . 1 1 73 73 SER CA C 13 60.9 0.1 . 1 . . . A 73 SER CA . 25308 1 826 . 1 1 73 73 SER CB C 13 64.0 0.1 . 1 . . . A 73 SER CB . 25308 1 827 . 1 1 73 73 SER N N 15 114.5 0.01 . 1 . . . A 73 SER N . 25308 1 828 . 1 1 74 74 CYS H H 1 8.633 0.005 . 1 . . . A 74 CYS H . 25308 1 829 . 1 1 74 74 CYS HA H 1 4.984 0.005 . 1 . . . A 74 CYS HA . 25308 1 830 . 1 1 74 74 CYS HB2 H 1 3.191 0.005 . 2 . . . A 74 CYS HB2 . 25308 1 831 . 1 1 74 74 CYS HB3 H 1 3.191 0.005 . 2 . . . A 74 CYS HB3 . 25308 1 832 . 1 1 74 74 CYS C C 13 172.0 0.005 . 1 . . . A 74 CYS C . 25308 1 833 . 1 1 74 74 CYS CA C 13 57.1 0.1 . 1 . . . A 74 CYS CA . 25308 1 834 . 1 1 74 74 CYS CB C 13 29.6 0.1 . 1 . . . A 74 CYS CB . 25308 1 835 . 1 1 74 74 CYS N N 15 119.4 0.01 . 1 . . . A 74 CYS N . 25308 1 836 . 1 1 75 75 ARG H H 1 7.987 0.005 . 1 . . . A 75 ARG H . 25308 1 837 . 1 1 75 75 ARG HA H 1 4.264 0.005 . 1 . . . A 75 ARG HA . 25308 1 838 . 1 1 75 75 ARG HB2 H 1 2.381 0.005 . 2 . . . A 75 ARG HB2 . 25308 1 839 . 1 1 75 75 ARG HB3 H 1 2.381 0.005 . 2 . . . A 75 ARG HB3 . 25308 1 840 . 1 1 75 75 ARG HG2 H 1 1.585 0.005 . 2 . . . A 75 ARG HG2 . 25308 1 841 . 1 1 75 75 ARG HG3 H 1 1.585 0.005 . 2 . . . A 75 ARG HG3 . 25308 1 842 . 1 1 75 75 ARG HD2 H 1 3.419 0.005 . 2 . . . A 75 ARG HD2 . 25308 1 843 . 1 1 75 75 ARG HD3 H 1 3.419 0.005 . 2 . . . A 75 ARG HD3 . 25308 1 844 . 1 1 75 75 ARG C C 13 175.7 0.1 . 1 . . . A 75 ARG C . 25308 1 845 . 1 1 75 75 ARG CA C 13 56.1 0.1 . 1 . . . A 75 ARG CA . 25308 1 846 . 1 1 75 75 ARG CB C 13 30.3 0.1 . 1 . . . A 75 ARG CB . 25308 1 847 . 1 1 75 75 ARG CG C 13 31.4 0.1 . 1 . . . A 75 ARG CG . 25308 1 848 . 1 1 75 75 ARG CD C 13 43.3 0.1 . 1 . . . A 75 ARG CD . 25308 1 849 . 1 1 75 75 ARG N N 15 122.7 0.01 . 1 . . . A 75 ARG N . 25308 1 850 . 1 1 76 76 VAL H H 1 9.191 0.005 . 1 . . . A 76 VAL H . 25308 1 851 . 1 1 76 76 VAL HA H 1 4.650 0.005 . 1 . . . A 76 VAL HA . 25308 1 852 . 1 1 76 76 VAL HB H 1 2.110 0.005 . 1 . . . A 76 VAL HB . 25308 1 853 . 1 1 76 76 VAL HG11 H 1 1.070 0.005 . 2 . . . A 76 VAL HG11 . 25308 1 854 . 1 1 76 76 VAL HG12 H 1 1.070 0.005 . 2 . . . A 76 VAL HG12 . 25308 1 855 . 1 1 76 76 VAL HG13 H 1 1.070 0.005 . 2 . . . A 76 VAL HG13 . 25308 1 856 . 1 1 76 76 VAL HG21 H 1 0.310 0.005 . 2 . . . A 76 VAL HG21 . 25308 1 857 . 1 1 76 76 VAL HG22 H 1 0.310 0.005 . 2 . . . A 76 VAL HG22 . 25308 1 858 . 1 1 76 76 VAL HG23 H 1 0.310 0.005 . 2 . . . A 76 VAL HG23 . 25308 1 859 . 1 1 76 76 VAL C C 13 175.0 0.1 . 1 . . . A 76 VAL C . 25308 1 860 . 1 1 76 76 VAL CA C 13 61.9 0.1 . 1 . . . A 76 VAL CA . 25308 1 861 . 1 1 76 76 VAL CB C 13 33.6 0.1 . 1 . . . A 76 VAL CB . 25308 1 862 . 1 1 76 76 VAL CG1 C 13 20.5 0.1 . 2 . . . A 76 VAL CG1 . 25308 1 863 . 1 1 76 76 VAL CG2 C 13 20.5 0.1 . 2 . . . A 76 VAL CG2 . 25308 1 864 . 1 1 76 76 VAL N N 15 132.6 0.01 . 1 . . . A 76 VAL N . 25308 1 865 . 1 1 77 77 THR H H 1 8.962 0.005 . 1 . . . A 77 THR H . 25308 1 866 . 1 1 77 77 THR HA H 1 4.980 0.005 . 1 . . . A 77 THR HA . 25308 1 867 . 1 1 77 77 THR HB H 1 3.713 0.005 . 1 . . . A 77 THR HB . 25308 1 868 . 1 1 77 77 THR HG21 H 1 1.000 0.005 . 1 . . . A 77 THR HG21 . 25308 1 869 . 1 1 77 77 THR HG22 H 1 1.000 0.005 . 1 . . . A 77 THR HG22 . 25308 1 870 . 1 1 77 77 THR HG23 H 1 1.000 0.005 . 1 . . . A 77 THR HG23 . 25308 1 871 . 1 1 77 77 THR C C 13 171.7 0.1 . 1 . . . A 77 THR C . 25308 1 872 . 1 1 77 77 THR CA C 13 61.6 0.1 . 1 . . . A 77 THR CA . 25308 1 873 . 1 1 77 77 THR CB C 13 72.3 0.1 . 1 . . . A 77 THR CB . 25308 1 874 . 1 1 77 77 THR CG2 C 13 21.7 0.1 . 1 . . . A 77 THR CG2 . 25308 1 875 . 1 1 77 77 THR N N 15 122.3 0.01 . 1 . . . A 77 THR N . 25308 1 876 . 1 1 78 78 PHE H H 1 8.905 0.005 . 1 . . . A 78 PHE H . 25308 1 877 . 1 1 78 78 PHE HA H 1 4.490 0.005 . 1 . . . A 78 PHE HA . 25308 1 878 . 1 1 78 78 PHE HB2 H 1 2.280 0.005 . 2 . . . A 78 PHE HB2 . 25308 1 879 . 1 1 78 78 PHE HB3 H 1 2.280 0.005 . 2 . . . A 78 PHE HB3 . 25308 1 880 . 1 1 78 78 PHE C C 13 172.2 0.1 . 1 . . . A 78 PHE C . 25308 1 881 . 1 1 78 78 PHE CA C 13 56.8 0.1 . 1 . . . A 78 PHE CA . 25308 1 882 . 1 1 78 78 PHE CB C 13 40.4 0.1 . 1 . . . A 78 PHE CB . 25308 1 883 . 1 1 78 78 PHE N N 15 127.4 0.01 . 1 . . . A 78 PHE N . 25308 1 884 . 1 1 79 79 LEU H H 1 7.906 0.005 . 1 . . . A 79 LEU H . 25308 1 885 . 1 1 79 79 LEU HA H 1 4.814 0.005 . 1 . . . A 79 LEU HA . 25308 1 886 . 1 1 79 79 LEU HB2 H 1 1.763 0.005 . 2 . . . A 79 LEU HB2 . 25308 1 887 . 1 1 79 79 LEU HB3 H 1 1.763 0.005 . 2 . . . A 79 LEU HB3 . 25308 1 888 . 1 1 79 79 LEU HG H 1 1.244 0.005 . 1 . . . A 79 LEU HG . 25308 1 889 . 1 1 79 79 LEU HD11 H 1 0.998 0.005 . 2 . . . A 79 LEU HD11 . 25308 1 890 . 1 1 79 79 LEU HD12 H 1 0.998 0.005 . 2 . . . A 79 LEU HD12 . 25308 1 891 . 1 1 79 79 LEU HD13 H 1 0.998 0.005 . 2 . . . A 79 LEU HD13 . 25308 1 892 . 1 1 79 79 LEU HD21 H 1 0.640 0.005 . 2 . . . A 79 LEU HD21 . 25308 1 893 . 1 1 79 79 LEU HD22 H 1 0.640 0.005 . 2 . . . A 79 LEU HD22 . 25308 1 894 . 1 1 79 79 LEU HD23 H 1 0.640 0.005 . 2 . . . A 79 LEU HD23 . 25308 1 895 . 1 1 79 79 LEU C C 13 174.8 0.1 . 1 . . . A 79 LEU C . 25308 1 896 . 1 1 79 79 LEU CA C 13 53.0 0.1 . 1 . . . A 79 LEU CA . 25308 1 897 . 1 1 79 79 LEU CB C 13 46.1 0.1 . 1 . . . A 79 LEU CB . 25308 1 898 . 1 1 79 79 LEU CG C 13 25.5 0.1 . 1 . . . A 79 LEU CG . 25308 1 899 . 1 1 79 79 LEU CD1 C 13 25.5 0.1 . 2 . . . A 79 LEU CD1 . 25308 1 900 . 1 1 79 79 LEU CD2 C 13 26.7 0.1 . 2 . . . A 79 LEU CD2 . 25308 1 901 . 1 1 79 79 LEU N N 15 126.8 0.01 . 1 . . . A 79 LEU N . 25308 1 902 . 1 1 80 80 ALA H H 1 7.921 0.005 . 1 . . . A 80 ALA H . 25308 1 903 . 1 1 80 80 ALA HA H 1 4.108 0.005 . 1 . . . A 80 ALA HA . 25308 1 904 . 1 1 80 80 ALA HB1 H 1 1.000 0.005 . 1 . . . A 80 ALA HB1 . 25308 1 905 . 1 1 80 80 ALA HB2 H 1 1.000 0.005 . 1 . . . A 80 ALA HB2 . 25308 1 906 . 1 1 80 80 ALA HB3 H 1 1.000 0.005 . 1 . . . A 80 ALA HB3 . 25308 1 907 . 1 1 80 80 ALA C C 13 176.9 0.1 . 1 . . . A 80 ALA C . 25308 1 908 . 1 1 80 80 ALA CA C 13 51.6 0.1 . 1 . . . A 80 ALA CA . 25308 1 909 . 1 1 80 80 ALA CB C 13 19.8 0.1 . 1 . . . A 80 ALA CB . 25308 1 910 . 1 1 80 80 ALA N N 15 122.5 0.01 . 1 . . . A 80 ALA N . 25308 1 911 . 1 1 81 81 GLY H H 1 8.849 0.005 . 1 . . . A 81 GLY H . 25308 1 912 . 1 1 81 81 GLY HA2 H 1 3.580 0.005 . 2 . . . A 81 GLY HA2 . 25308 1 913 . 1 1 81 81 GLY HA3 H 1 3.580 0.005 . 2 . . . A 81 GLY HA3 . 25308 1 914 . 1 1 81 81 GLY C C 13 174.5 0.01 . 1 . . . A 81 GLY C . 25308 1 915 . 1 1 81 81 GLY CA C 13 47.3 0.01 . 1 . . . A 81 GLY CA . 25308 1 916 . 1 1 81 81 GLY N N 15 115.8 0.01 . 1 . . . A 81 GLY N . 25308 1 917 . 1 1 82 82 ASP H H 1 8.657 0.005 . 1 . . . A 82 ASP H . 25308 1 918 . 1 1 82 82 ASP HA H 1 4.450 0.005 . 1 . . . A 82 ASP HA . 25308 1 919 . 1 1 82 82 ASP HB2 H 1 2.685 0.005 . 2 . . . A 82 ASP HB2 . 25308 1 920 . 1 1 82 82 ASP HB3 H 1 2.685 0.005 . 2 . . . A 82 ASP HB3 . 25308 1 921 . 1 1 82 82 ASP C C 13 175.7 0.1 . 1 . . . A 82 ASP C . 25308 1 922 . 1 1 82 82 ASP CA C 13 54.2 0.1 . 1 . . . A 82 ASP CA . 25308 1 923 . 1 1 82 82 ASP CB C 13 40.8 0.1 . 1 . . . A 82 ASP CB . 25308 1 924 . 1 1 82 82 ASP N N 15 126.4 0.01 . 1 . . . A 82 ASP N . 25308 1 925 . 1 1 83 83 MET H H 1 8.087 0.005 . 1 . . . A 83 MET H . 25308 1 926 . 1 1 83 83 MET HA H 1 4.405 0.005 . 1 . . . A 83 MET HA . 25308 1 927 . 1 1 83 83 MET HB2 H 1 1.937 0.005 . 2 . . . A 83 MET HB2 . 25308 1 928 . 1 1 83 83 MET HB3 H 1 1.937 0.005 . 2 . . . A 83 MET HB3 . 25308 1 929 . 1 1 83 83 MET HG2 H 1 2.276 0.005 . 2 . . . A 83 MET HG2 . 25308 1 930 . 1 1 83 83 MET HG3 H 1 2.276 0.005 . 2 . . . A 83 MET HG3 . 25308 1 931 . 1 1 83 83 MET HE1 H 1 0.782 0.005 . 1 . . . A 83 MET HE1 . 25308 1 932 . 1 1 83 83 MET HE2 H 1 0.782 0.005 . 1 . . . A 83 MET HE2 . 25308 1 933 . 1 1 83 83 MET HE3 H 1 0.782 0.005 . 1 . . . A 83 MET HE3 . 25308 1 934 . 1 1 83 83 MET C C 13 174.4 0.1 . 1 . . . A 83 MET C . 25308 1 935 . 1 1 83 83 MET CA C 13 55.7 0.1 . 1 . . . A 83 MET CA . 25308 1 936 . 1 1 83 83 MET CB C 13 34.1 0.1 . 1 . . . A 83 MET CB . 25308 1 937 . 1 1 83 83 MET CG C 13 33.5 0.1 . 1 . . . A 83 MET CG . 25308 1 938 . 1 1 83 83 MET CE C 13 18.7 0.1 . 1 . . . A 83 MET CE . 25308 1 939 . 1 1 83 83 MET N N 15 121.9 0.01 . 1 . . . A 83 MET N . 25308 1 940 . 1 1 84 84 VAL H H 1 8.113 0.005 . 1 . . . A 84 VAL H . 25308 1 941 . 1 1 84 84 VAL HA H 1 5.01 0.005 . 1 . . . A 84 VAL HA . 25308 1 942 . 1 1 84 84 VAL HB H 1 1.602 0.005 . 1 . . . A 84 VAL HB . 25308 1 943 . 1 1 84 84 VAL HG11 H 1 0.805 0.005 . 2 . . . A 84 VAL HG11 . 25308 1 944 . 1 1 84 84 VAL HG12 H 1 0.805 0.005 . 2 . . . A 84 VAL HG12 . 25308 1 945 . 1 1 84 84 VAL HG13 H 1 0.805 0.005 . 2 . . . A 84 VAL HG13 . 25308 1 946 . 1 1 84 84 VAL HG21 H 1 0.805 0.005 . 2 . . . A 84 VAL HG21 . 25308 1 947 . 1 1 84 84 VAL HG22 H 1 0.805 0.005 . 2 . . . A 84 VAL HG22 . 25308 1 948 . 1 1 84 84 VAL HG23 H 1 0.805 0.005 . 2 . . . A 84 VAL HG23 . 25308 1 949 . 1 1 84 84 VAL C C 13 174.5 0.1 . 1 . . . A 84 VAL C . 25308 1 950 . 1 1 84 84 VAL CA C 13 60.4 0.1 . 1 . . . A 84 VAL CA . 25308 1 951 . 1 1 84 84 VAL CB C 13 35.3 0.1 . 1 . . . A 84 VAL CB . 25308 1 952 . 1 1 84 84 VAL CG1 C 13 20.3 0.1 . 2 . . . A 84 VAL CG1 . 25308 1 953 . 1 1 84 84 VAL CG2 C 13 20.3 0.1 . 2 . . . A 84 VAL CG2 . 25308 1 954 . 1 1 84 84 VAL N N 15 121.7 0.01 . 1 . . . A 84 VAL N . 25308 1 955 . 1 1 85 85 THR H H 1 8.728 0.005 . 1 . . . A 85 THR H . 25308 1 956 . 1 1 85 85 THR HA H 1 4.361 0.005 . 1 . . . A 85 THR HA . 25308 1 957 . 1 1 85 85 THR HB H 1 4.420 0.005 . 1 . . . A 85 THR HB . 25308 1 958 . 1 1 85 85 THR HG21 H 1 1.365 0.005 . 1 . . . A 85 THR HG21 . 25308 1 959 . 1 1 85 85 THR HG22 H 1 1.365 0.005 . 1 . . . A 85 THR HG22 . 25308 1 960 . 1 1 85 85 THR HG23 H 1 1.365 0.005 . 1 . . . A 85 THR HG23 . 25308 1 961 . 1 1 85 85 THR C C 13 170.8 0.1 . 1 . . . A 85 THR C . 25308 1 962 . 1 1 85 85 THR CA C 13 60.6 0.1 . 1 . . . A 85 THR CA . 25308 1 963 . 1 1 85 85 THR CB C 13 69.3 0.1 . 1 . . . A 85 THR CB . 25308 1 964 . 1 1 85 85 THR CG2 C 13 19.3 0.1 . 1 . . . A 85 THR CG2 . 25308 1 965 . 1 1 85 85 THR N N 15 122.8 0.01 . 1 . . . A 85 THR N . 25308 1 966 . 1 1 86 86 SER H H 1 8.229 0.005 . 1 . . . A 86 SER H . 25308 1 967 . 1 1 86 86 SER HA H 1 5.853 0.005 . 1 . . . A 86 SER HA . 25308 1 968 . 1 1 86 86 SER HB2 H 1 3.553 0.005 . 2 . . . A 86 SER HB2 . 25308 1 969 . 1 1 86 86 SER HB3 H 1 3.553 0.005 . 2 . . . A 86 SER HB3 . 25308 1 970 . 1 1 86 86 SER C C 13 172.4 0.1 . 1 . . . A 86 SER C . 25308 1 971 . 1 1 86 86 SER CA C 13 56.9 0.1 . 1 . . . A 86 SER CA . 25308 1 972 . 1 1 86 86 SER CB C 13 67.2 0.1 . 1 . . . A 86 SER CB . 25308 1 973 . 1 1 86 86 SER N N 15 121.3 0.01 . 1 . . . A 86 SER N . 25308 1 974 . 1 1 87 87 ALA H H 1 9.240 0.005 . 1 . . . A 87 ALA H . 25308 1 975 . 1 1 87 87 ALA HA H 1 4.530 0.005 . 1 . . . A 87 ALA HA . 25308 1 976 . 1 1 87 87 ALA HB1 H 1 1.414 0.005 . 1 . . . A 87 ALA HB1 . 25308 1 977 . 1 1 87 87 ALA HB2 H 1 1.414 0.005 . 1 . . . A 87 ALA HB2 . 25308 1 978 . 1 1 87 87 ALA HB3 H 1 1.414 0.005 . 1 . . . A 87 ALA HB3 . 25308 1 979 . 1 1 87 87 ALA C C 13 174.1 0.1 . 1 . . . A 87 ALA C . 25308 1 980 . 1 1 87 87 ALA CA C 13 51.7 0.1 . 1 . . . A 87 ALA CA . 25308 1 981 . 1 1 87 87 ALA CB C 13 22.5 0.1 . 1 . . . A 87 ALA CB . 25308 1 982 . 1 1 87 87 ALA N N 15 124.8 0.01 . 1 . . . A 87 ALA N . 25308 1 983 . 1 1 88 88 PHE H H 1 8.878 0.005 . 1 . . . A 88 PHE H . 25308 1 984 . 1 1 88 88 PHE HA H 1 5.170 0.005 . 1 . . . A 88 PHE HA . 25308 1 985 . 1 1 88 88 PHE HB2 H 1 2.902 0.005 . 2 . . . A 88 PHE HB2 . 25308 1 986 . 1 1 88 88 PHE HB3 H 1 2.902 0.005 . 2 . . . A 88 PHE HB3 . 25308 1 987 . 1 1 88 88 PHE C C 13 174.7 0.1 . 1 . . . A 88 PHE C . 25308 1 988 . 1 1 88 88 PHE CA C 13 58.5 0.1 . 1 . . . A 88 PHE CA . 25308 1 989 . 1 1 88 88 PHE CB C 13 41.8 0.1 . 1 . . . A 88 PHE CB . 25308 1 990 . 1 1 88 88 PHE N N 15 116.5 0.01 . 1 . . . A 88 PHE N . 25308 1 991 . 1 1 89 89 LEU H H 1 9.306 0.005 . 1 . . . A 89 LEU H . 25308 1 992 . 1 1 89 89 LEU HA H 1 5.449 0.005 . 1 . . . A 89 LEU HA . 25308 1 993 . 1 1 89 89 LEU HB2 H 1 2.250 0.005 . 2 . . . A 89 LEU HB2 . 25308 1 994 . 1 1 89 89 LEU HB3 H 1 2.250 0.005 . 2 . . . A 89 LEU HB3 . 25308 1 995 . 1 1 89 89 LEU HG H 1 1.417 0.005 . 1 . . . A 89 LEU HG . 25308 1 996 . 1 1 89 89 LEU HD11 H 1 0.827 0.005 . 2 . . . A 89 LEU HD11 . 25308 1 997 . 1 1 89 89 LEU HD12 H 1 0.827 0.005 . 2 . . . A 89 LEU HD12 . 25308 1 998 . 1 1 89 89 LEU HD13 H 1 0.827 0.005 . 2 . . . A 89 LEU HD13 . 25308 1 999 . 1 1 89 89 LEU HD21 H 1 0.210 0.005 . 2 . . . A 89 LEU HD21 . 25308 1 1000 . 1 1 89 89 LEU HD22 H 1 0.210 0.005 . 2 . . . A 89 LEU HD22 . 25308 1 1001 . 1 1 89 89 LEU HD23 H 1 0.210 0.005 . 2 . . . A 89 LEU HD23 . 25308 1 1002 . 1 1 89 89 LEU C C 13 176.1 0.1 . 1 . . . A 89 LEU C . 25308 1 1003 . 1 1 89 89 LEU CA C 13 53.7 0.1 . 1 . . . A 89 LEU CA . 25308 1 1004 . 1 1 89 89 LEU CB C 13 44.6 0.1 . 1 . . . A 89 LEU CB . 25308 1 1005 . 1 1 89 89 LEU CG C 13 27.7 0.1 . 1 . . . A 89 LEU CG . 25308 1 1006 . 1 1 89 89 LEU CD1 C 13 25.8 0.1 . 2 . . . A 89 LEU CD1 . 25308 1 1007 . 1 1 89 89 LEU CD2 C 13 25.8 0.1 . 2 . . . A 89 LEU CD2 . 25308 1 1008 . 1 1 89 89 LEU N N 15 124.7 0.01 . 1 . . . A 89 LEU N . 25308 1 1009 . 1 1 90 90 THR H H 1 8.993 0.005 . 1 . . . A 90 THR H . 25308 1 1010 . 1 1 90 90 THR HA H 1 4.053 0.005 . 1 . . . A 90 THR HA . 25308 1 1011 . 1 1 90 90 THR HB H 1 4.053 0.005 . 1 . . . A 90 THR HB . 25308 1 1012 . 1 1 90 90 THR HG21 H 1 1.192 0.005 . 1 . . . A 90 THR HG21 . 25308 1 1013 . 1 1 90 90 THR HG22 H 1 1.192 0.005 . 1 . . . A 90 THR HG22 . 25308 1 1014 . 1 1 90 90 THR HG23 H 1 1.192 0.005 . 1 . . . A 90 THR HG23 . 25308 1 1015 . 1 1 90 90 THR C C 13 172.3 0.1 . 1 . . . A 90 THR C . 25308 1 1016 . 1 1 90 90 THR CA C 13 61.9 0.1 . 1 . . . A 90 THR CA . 25308 1 1017 . 1 1 90 90 THR CB C 13 70.7 0.1 . 1 . . . A 90 THR CB . 25308 1 1018 . 1 1 90 90 THR CG2 C 13 20.8 0.1 . 1 . . . A 90 THR CG2 . 25308 1 1019 . 1 1 90 90 THR N N 15 124.0 0.01 . 1 . . . A 90 THR N . 25308 1 1020 . 1 1 91 91 VAL H H 1 8.553 0.005 . 1 . . . A 91 VAL H . 25308 1 1021 . 1 1 91 91 VAL HA H 1 4.500 0.005 . 1 . . . A 91 VAL HA . 25308 1 1022 . 1 1 91 91 VAL HB H 1 1.956 0.005 . 1 . . . A 91 VAL HB . 25308 1 1023 . 1 1 91 91 VAL HG11 H 1 0.673 0.005 . 2 . . . A 91 VAL HG11 . 25308 1 1024 . 1 1 91 91 VAL HG12 H 1 0.673 0.005 . 2 . . . A 91 VAL HG12 . 25308 1 1025 . 1 1 91 91 VAL HG13 H 1 0.673 0.005 . 2 . . . A 91 VAL HG13 . 25308 1 1026 . 1 1 91 91 VAL HG21 H 1 0.360 0.005 . 2 . . . A 91 VAL HG21 . 25308 1 1027 . 1 1 91 91 VAL HG22 H 1 0.360 0.005 . 2 . . . A 91 VAL HG22 . 25308 1 1028 . 1 1 91 91 VAL HG23 H 1 0.360 0.005 . 2 . . . A 91 VAL HG23 . 25308 1 1029 . 1 1 91 91 VAL C C 13 175.3 0.005 . 1 . . . A 91 VAL C . 25308 1 1030 . 1 1 91 91 VAL CA C 13 60.2 0.1 . 1 . . . A 91 VAL CA . 25308 1 1031 . 1 1 91 91 VAL CB C 13 32.5 0.1 . 1 . . . A 91 VAL CB . 25308 1 1032 . 1 1 91 91 VAL CG1 C 13 19.9 0.1 . 2 . . . A 91 VAL CG1 . 25308 1 1033 . 1 1 91 91 VAL CG2 C 13 19.9 0.1 . 2 . . . A 91 VAL CG2 . 25308 1 1034 . 1 1 91 91 VAL N N 15 126.5 0.01 . 1 . . . A 91 VAL N . 25308 1 1035 . 1 1 92 92 ARG H H 1 8.712 0.005 . 1 . . . A 92 ARG H . 25308 1 1036 . 1 1 92 92 ARG HA H 1 4.440 0.005 . 1 . . . A 92 ARG HA . 25308 1 1037 . 1 1 92 92 ARG HB2 H 1 1.829 0.005 . 2 . . . A 92 ARG HB2 . 25308 1 1038 . 1 1 92 92 ARG HB3 H 1 1.829 0.005 . 2 . . . A 92 ARG HB3 . 25308 1 1039 . 1 1 92 92 ARG HG2 H 1 1.581 0.005 . 2 . . . A 92 ARG HG2 . 25308 1 1040 . 1 1 92 92 ARG HG3 H 1 1.581 0.005 . 2 . . . A 92 ARG HG3 . 25308 1 1041 . 1 1 92 92 ARG HD2 H 1 3.135 0.005 . 2 . . . A 92 ARG HD2 . 25308 1 1042 . 1 1 92 92 ARG HD3 H 1 3.135 0.005 . 2 . . . A 92 ARG HD3 . 25308 1 1043 . 1 1 92 92 ARG C C 13 175.8 0.1 . 1 . . . A 92 ARG C . 25308 1 1044 . 1 1 92 92 ARG CA C 13 54.9 0.1 . 1 . . . A 92 ARG CA . 25308 1 1045 . 1 1 92 92 ARG CB C 13 31.9 0.1 . 1 . . . A 92 ARG CB . 25308 1 1046 . 1 1 92 92 ARG CG C 13 26.6 0.1 . 1 . . . A 92 ARG CG . 25308 1 1047 . 1 1 92 92 ARG CD C 13 43.2 0.1 . 1 . . . A 92 ARG CD . 25308 1 1048 . 1 1 92 92 ARG N N 15 127.0 0.01 . 1 . . . A 92 ARG N . 25308 1 1049 . 1 1 93 93 GLY H H 1 8.665 0.005 . 1 . . . A 93 GLY H . 25308 1 1050 . 1 1 93 93 GLY HA2 H 1 4.311 0.005 . 2 . . . A 93 GLY HA2 . 25308 1 1051 . 1 1 93 93 GLY HA3 H 1 3.750 0.005 . 2 . . . A 93 GLY HA3 . 25308 1 1052 . 1 1 93 93 GLY C C 13 173.6 0.1 . 1 . . . A 93 GLY C . 25308 1 1053 . 1 1 93 93 GLY CA C 13 44.9 0.1 . 1 . . . A 93 GLY CA . 25308 1 1054 . 1 1 93 93 GLY N N 15 110.4 0.01 . 1 . . . A 93 GLY N . 25308 1 1055 . 1 1 95 95 LEU HA H 1 3.998 0.005 . 1 . . . A 95 LEU HA . 25308 1 1056 . 1 1 95 95 LEU HB2 H 1 1.426 0.005 . 2 . . . A 95 LEU HB2 . 25308 1 1057 . 1 1 95 95 LEU HB3 H 1 1.426 0.005 . 2 . . . A 95 LEU HB3 . 25308 1 1058 . 1 1 95 95 LEU HD11 H 1 0.684 0.005 . 2 . . . A 95 LEU HD11 . 25308 1 1059 . 1 1 95 95 LEU HD12 H 1 0.684 0.005 . 2 . . . A 95 LEU HD12 . 25308 1 1060 . 1 1 95 95 LEU HD13 H 1 0.684 0.005 . 2 . . . A 95 LEU HD13 . 25308 1 1061 . 1 1 95 95 LEU HD21 H 1 0.684 0.005 . 2 . . . A 95 LEU HD21 . 25308 1 1062 . 1 1 95 95 LEU HD22 H 1 0.684 0.005 . 2 . . . A 95 LEU HD22 . 25308 1 1063 . 1 1 95 95 LEU HD23 H 1 0.684 0.005 . 2 . . . A 95 LEU HD23 . 25308 1 1064 . 1 1 95 95 LEU C C 13 176.6 0.1 . 1 . . . A 95 LEU C . 25308 1 1065 . 1 1 95 95 LEU CA C 13 53.5 0.1 . 1 . . . A 95 LEU CA . 25308 1 1066 . 1 1 95 95 LEU CB C 13 44.0 0.1 . 1 . . . A 95 LEU CB . 25308 1 1067 . 1 1 95 95 LEU CG C 13 26.6 0.1 . 1 . . . A 95 LEU CG . 25308 1 1068 . 1 1 95 95 LEU CD1 C 13 23.4 0.1 . 2 . . . A 95 LEU CD1 . 25308 1 1069 . 1 1 95 95 LEU CD2 C 13 23.4 0.1 . 2 . . . A 95 LEU CD2 . 25308 1 1070 . 1 1 96 96 GLU H H 1 8.040 0.005 . 1 . . . A 96 GLU H . 25308 1 1071 . 1 1 96 96 GLU HA H 1 4.263 0.005 . 1 . . . A 96 GLU HA . 25308 1 1072 . 1 1 96 96 GLU HB2 H 1 1.803 0.005 . 2 . . . A 96 GLU HB2 . 25308 1 1073 . 1 1 96 96 GLU HB3 H 1 1.803 0.005 . 2 . . . A 96 GLU HB3 . 25308 1 1074 . 1 1 96 96 GLU C C 13 176.7 0.1 . 1 . . . A 96 GLU C . 25308 1 1075 . 1 1 96 96 GLU CA C 13 57.9 0.1 . 1 . . . A 96 GLU CA . 25308 1 1076 . 1 1 96 96 GLU CB C 13 29.8 0.1 . 1 . . . A 96 GLU CB . 25308 1 1077 . 1 1 96 96 GLU CG C 13 35.8 0.1 . 1 . . . A 96 GLU CG . 25308 1 1078 . 1 1 96 96 GLU N N 15 121.3 0.01 . 1 . . . A 96 GLU N . 25308 1 1079 . 1 1 97 97 HIS H H 1 8.127 0.005 . 1 . . . A 97 HIS H . 25308 1 1080 . 1 1 97 97 HIS HA H 1 4.033 0.005 . 1 . . . A 97 HIS HA . 25308 1 1081 . 1 1 97 97 HIS HB2 H 1 3.122 0.005 . 2 . . . A 97 HIS HB2 . 25308 1 1082 . 1 1 97 97 HIS HB3 H 1 3.122 0.005 . 2 . . . A 97 HIS HB3 . 25308 1 1083 . 1 1 97 97 HIS C C 13 175.3 0.1 . 1 . . . A 97 HIS C . 25308 1 1084 . 1 1 97 97 HIS CA C 13 56.7 0.1 . 1 . . . A 97 HIS CA . 25308 1 1085 . 1 1 97 97 HIS CB C 13 31.1 0.1 . 1 . . . A 97 HIS CB . 25308 1 1086 . 1 1 97 97 HIS N N 15 119.9 0.01 . 1 . . . A 97 HIS N . 25308 1 1087 . 1 1 102 102 HIS H H 1 7.901 0.005 . 1 . . . A 102 HIS H . 25308 1 1088 . 1 1 102 102 HIS HA H 1 4.346 0.005 . 1 . . . A 102 HIS HA . 25308 1 1089 . 1 1 102 102 HIS C C 13 174.2 0.1 . 1 . . . A 102 HIS C . 25308 1 1090 . 1 1 102 102 HIS CA C 13 57.5 0.1 . 1 . . . A 102 HIS CA . 25308 1 1091 . 1 1 102 102 HIS CB C 13 31.1 0.1 . 1 . . . A 102 HIS CB . 25308 1 1092 . 1 1 102 102 HIS N N 15 125.8 0.01 . 1 . . . A 102 HIS N . 25308 1 stop_ save_