data_25036 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25036 _Entry.Title ; Solution structure of CsUbl ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-06-22 _Entry.Accession_date 2014-06-22 _Entry.Last_release_date 2015-06-22 _Entry.Original_release_date 2015-06-22 _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 'NMR, 20 STRUCTURES' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Kaiqin Ye . . . 25036 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25036 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Caldiarchaeum subterraneum' . 25036 'solution structure' . 25036 'ubquitin-like protein' . 25036 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25036 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 244 25036 '15N chemical shifts' 80 25036 '1H chemical shifts' 472 25036 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 . . 2015-06-22 . original BMRB . 25036 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MQJ 'BMRB Entry Tracking System' 25036 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25036 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of ubiquitin-like protein from Caldiarchaeum subterraneum ; _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 Kaiqin Ye . . . 25036 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25036 _Assembly.ID 1 _Assembly.Name CsUbl _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 CsUbl 1 $entity A . yes native no no . . . 25036 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25036 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; HMKIKIVPAVGGGSPLELEV APNATVGAVRTKVCAMKKLP PDTTRLTYKGRALKDTETLE SLGVADGDKFVLITRTVGGC GEPIRRAA ; _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 88 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8107.625 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MQJ . "Solution Structure Of Ubiquitin-like Protein From Caldiarchaeum Subterraneum" . . . . . 87.50 77 100.00 100.00 7.32e-45 . . . . 25036 1 2 no DBJ BAJ48537 . "ubiquitin-like protein [Candidatus Caldiarchaeum subterraneum]" . . . . . 98.86 87 100.00 100.00 8.16e-53 . . . . 25036 1 3 no DBJ BAJ48615 . "ubiquitin-like protein [Candidatus Caldiarchaeum subterraneum]" . . . . . 98.86 87 100.00 100.00 8.16e-53 . . . . 25036 1 4 no DBJ BAJ49671 . "ubiquitin-like protein [Candidatus Caldiarchaeum subterraneum]" . . . . . 98.86 87 100.00 100.00 8.16e-53 . . . . 25036 1 5 no DBJ BAJ51325 . "ubiquitin-like protein [Candidatus Caldiarchaeum subterraneum]" . . . . . 98.86 87 100.00 100.00 8.16e-53 . . . . 25036 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 8 HIS . 25036 1 2 9 MET . 25036 1 3 10 LYS . 25036 1 4 11 ILE . 25036 1 5 12 LYS . 25036 1 6 13 ILE . 25036 1 7 14 VAL . 25036 1 8 15 PRO . 25036 1 9 16 ALA . 25036 1 10 17 VAL . 25036 1 11 18 GLY . 25036 1 12 19 GLY . 25036 1 13 20 GLY . 25036 1 14 21 SER . 25036 1 15 22 PRO . 25036 1 16 23 LEU . 25036 1 17 24 GLU . 25036 1 18 25 LEU . 25036 1 19 26 GLU . 25036 1 20 27 VAL . 25036 1 21 28 ALA . 25036 1 22 29 PRO . 25036 1 23 30 ASN . 25036 1 24 31 ALA . 25036 1 25 32 THR . 25036 1 26 33 VAL . 25036 1 27 34 GLY . 25036 1 28 35 ALA . 25036 1 29 36 VAL . 25036 1 30 37 ARG . 25036 1 31 38 THR . 25036 1 32 39 LYS . 25036 1 33 40 VAL . 25036 1 34 41 CYS . 25036 1 35 42 ALA . 25036 1 36 43 MET . 25036 1 37 44 LYS . 25036 1 38 45 LYS . 25036 1 39 46 LEU . 25036 1 40 47 PRO . 25036 1 41 48 PRO . 25036 1 42 49 ASP . 25036 1 43 50 THR . 25036 1 44 51 THR . 25036 1 45 52 ARG . 25036 1 46 53 LEU . 25036 1 47 54 THR . 25036 1 48 55 TYR . 25036 1 49 56 LYS . 25036 1 50 57 GLY . 25036 1 51 58 ARG . 25036 1 52 59 ALA . 25036 1 53 60 LEU . 25036 1 54 61 LYS . 25036 1 55 62 ASP . 25036 1 56 63 THR . 25036 1 57 64 GLU . 25036 1 58 65 THR . 25036 1 59 66 LEU . 25036 1 60 67 GLU . 25036 1 61 68 SER . 25036 1 62 69 LEU . 25036 1 63 70 GLY . 25036 1 64 71 VAL . 25036 1 65 72 ALA . 25036 1 66 73 ASP . 25036 1 67 74 GLY . 25036 1 68 75 ASP . 25036 1 69 76 LYS . 25036 1 70 77 PHE . 25036 1 71 78 VAL . 25036 1 72 79 LEU . 25036 1 73 80 ILE . 25036 1 74 81 THR . 25036 1 75 82 ARG . 25036 1 76 83 THR . 25036 1 77 84 VAL . 25036 1 78 85 GLY . 25036 1 79 86 GLY . 25036 1 80 87 CYS . 25036 1 81 88 GLY . 25036 1 82 89 GLU . 25036 1 83 90 PRO . 25036 1 84 91 ILE . 25036 1 85 92 ARG . 25036 1 86 93 ARG . 25036 1 87 94 ALA . 25036 1 88 95 ALA . 25036 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 . HIS 1 1 25036 1 . MET 2 2 25036 1 . LYS 3 3 25036 1 . ILE 4 4 25036 1 . LYS 5 5 25036 1 . ILE 6 6 25036 1 . VAL 7 7 25036 1 . PRO 8 8 25036 1 . ALA 9 9 25036 1 . VAL 10 10 25036 1 . GLY 11 11 25036 1 . GLY 12 12 25036 1 . GLY 13 13 25036 1 . SER 14 14 25036 1 . PRO 15 15 25036 1 . LEU 16 16 25036 1 . GLU 17 17 25036 1 . LEU 18 18 25036 1 . GLU 19 19 25036 1 . VAL 20 20 25036 1 . ALA 21 21 25036 1 . PRO 22 22 25036 1 . ASN 23 23 25036 1 . ALA 24 24 25036 1 . THR 25 25 25036 1 . VAL 26 26 25036 1 . GLY 27 27 25036 1 . ALA 28 28 25036 1 . VAL 29 29 25036 1 . ARG 30 30 25036 1 . THR 31 31 25036 1 . LYS 32 32 25036 1 . VAL 33 33 25036 1 . CYS 34 34 25036 1 . ALA 35 35 25036 1 . MET 36 36 25036 1 . LYS 37 37 25036 1 . LYS 38 38 25036 1 . LEU 39 39 25036 1 . PRO 40 40 25036 1 . PRO 41 41 25036 1 . ASP 42 42 25036 1 . THR 43 43 25036 1 . THR 44 44 25036 1 . ARG 45 45 25036 1 . LEU 46 46 25036 1 . THR 47 47 25036 1 . TYR 48 48 25036 1 . LYS 49 49 25036 1 . GLY 50 50 25036 1 . ARG 51 51 25036 1 . ALA 52 52 25036 1 . LEU 53 53 25036 1 . LYS 54 54 25036 1 . ASP 55 55 25036 1 . THR 56 56 25036 1 . GLU 57 57 25036 1 . THR 58 58 25036 1 . LEU 59 59 25036 1 . GLU 60 60 25036 1 . SER 61 61 25036 1 . LEU 62 62 25036 1 . GLY 63 63 25036 1 . VAL 64 64 25036 1 . ALA 65 65 25036 1 . ASP 66 66 25036 1 . GLY 67 67 25036 1 . ASP 68 68 25036 1 . LYS 69 69 25036 1 . PHE 70 70 25036 1 . VAL 71 71 25036 1 . LEU 72 72 25036 1 . ILE 73 73 25036 1 . THR 74 74 25036 1 . ARG 75 75 25036 1 . THR 76 76 25036 1 . VAL 77 77 25036 1 . GLY 78 78 25036 1 . GLY 79 79 25036 1 . CYS 80 80 25036 1 . GLY 81 81 25036 1 . GLU 82 82 25036 1 . PRO 83 83 25036 1 . ILE 84 84 25036 1 . ARG 85 85 25036 1 . ARG 86 86 25036 1 . ALA 87 87 25036 1 . ALA 88 88 25036 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 25036 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 311458 organism . 'Caldiarchaeum subterraneum' archaea . . Archaea . Caldiarchaeum subterraneum . . . . . . . . . . . . . 25036 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 25036 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . 'pET-28 b (+)' . . . 25036 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25036 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.8 . . mM . . . . 25036 1 2 'sodium phosphate' 'natural abundance' . . . . . . 1 . . mM . . . . 25036 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25036 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25036 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25036 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 15N]' . . 1 $entity . . 0.8 . . mM . . . . 25036 2 2 'sodium phosphate' 'natural abundance' . . . . . . 1 . . mM . . . . 25036 2 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25036 2 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25036 2 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 25036 _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' 0.1 . M 25036 1 pH 6.8 . pH 25036 1 pressure 1 . atm 25036 1 temperature 293 . K 25036 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25036 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25036 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25036 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 25036 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 25036 _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 DMX . 500 . . . 25036 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 25036 _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 . . . . . . . . . . 2 $sample_2 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25036 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25036 1 3 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25036 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25036 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25036 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25036 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25036 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 25036 _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 . . . . . . . . . 25036 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25036 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25036 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 25036 _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' . . . 25036 1 2 '3D CBCA(CO)NH' . . . 25036 1 4 '3D HNCACB' . . . 25036 1 5 '3D HBHA(CO)NH' . . . 25036 1 6 '3D H(CCO)NH' . . . 25036 1 7 '3D 1H-15N NOESY' . . . 25036 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 HIS HA H 1 4.797 0.02 . 1 . . . . 8 HIS HA . 25036 1 2 . 1 1 1 1 HIS HB2 H 1 3.006 0.02 . 2 . . . . 8 HIS HB . 25036 1 3 . 1 1 1 1 HIS HB3 H 1 3.006 0.02 . 2 . . . . 8 HIS HB . 25036 1 4 . 1 1 1 1 HIS CA C 13 55.345 5.00 . 1 . . . . 8 HIS CA . 25036 1 5 . 1 1 1 1 HIS CB C 13 31.142 5.00 . 1 . . . . 8 HIS CB . 25036 1 6 . 1 1 2 2 MET H H 1 8.901 0.02 . 1 . . . A 9 MET NH . 25036 1 7 . 1 1 2 2 MET HA H 1 4.659 0.02 . 1 . . . A 9 MET HA . 25036 1 8 . 1 1 2 2 MET HB2 H 1 1.903 0.02 . 2 . . . A 9 MET HB2 . 25036 1 9 . 1 1 2 2 MET HB3 H 1 1.903 0.02 . 2 . . . A 9 MET HB3 . 25036 1 10 . 1 1 2 2 MET HE1 H 1 2.261 0.02 . 1 . . . A 9 MET HE1 . 25036 1 11 . 1 1 2 2 MET HE2 H 1 2.261 0.02 . 1 . . . A 9 MET HE2 . 25036 1 12 . 1 1 2 2 MET HE3 H 1 2.261 0.02 . 1 . . . A 9 MET HE3 . 25036 1 13 . 1 1 2 2 MET CA C 13 54.872 5.00 . 1 . . . A 9 MET CA . 25036 1 14 . 1 1 2 2 MET CB C 13 35.656 5.00 . 1 . . . A 9 MET CB . 25036 1 15 . 1 1 2 2 MET N N 15 120.294 0.20 . 1 . . . A 9 MET N . 25036 1 16 . 1 1 3 3 LYS H H 1 8.918 0.02 . 1 . . . A 10 LYS H . 25036 1 17 . 1 1 3 3 LYS HA H 1 5.316 0.02 . 1 . . . A 10 LYS HA . 25036 1 18 . 1 1 3 3 LYS HB2 H 1 1.634 0.02 . 2 . . . A 10 LYS HB2 . 25036 1 19 . 1 1 3 3 LYS HB3 H 1 1.634 0.02 . 2 . . . A 10 LYS HB3 . 25036 1 20 . 1 1 3 3 LYS HG2 H 1 1.418 0.02 . 2 . . . A 10 LYS HG2 . 25036 1 21 . 1 1 3 3 LYS HG3 H 1 1.230 0.02 . 2 . . . A 10 LYS HG3 . 25036 1 22 . 1 1 3 3 LYS HE2 H 1 2.924 0.02 . 2 . . . A 10 LYS HE2 . 25036 1 23 . 1 1 3 3 LYS HE3 H 1 2.924 0.02 . 2 . . . A 10 LYS HE3 . 25036 1 24 . 1 1 3 3 LYS CA C 13 54.997 5.00 . 1 . . . A 10 LYS CA . 25036 1 25 . 1 1 3 3 LYS CB C 13 34.200 5.00 . 1 . . . A 10 LYS CB . 25036 1 26 . 1 1 3 3 LYS CG C 13 24.778 5.00 . 1 . . . A 10 LYS CG . 25036 1 27 . 1 1 3 3 LYS CD C 13 29.271 5.00 . 1 . . . A 10 LYS CD . 25036 1 28 . 1 1 3 3 LYS CE C 13 41.342 5.00 . 1 . . . A 10 LYS CE . 25036 1 29 . 1 1 3 3 LYS N N 15 122.537 0.20 . 1 . . . A 10 LYS N . 25036 1 30 . 1 1 4 4 ILE H H 1 8.660 0.02 . 1 . . . A 11 ILE H . 25036 1 31 . 1 1 4 4 ILE HA H 1 4.959 0.02 . 1 . . . A 11 ILE HA . 25036 1 32 . 1 1 4 4 ILE HB H 1 1.831 0.02 . 1 . . . A 11 ILE HB . 25036 1 33 . 1 1 4 4 ILE HG21 H 1 0.917 0.02 . 1 . . . A 11 ILE HG21 . 25036 1 34 . 1 1 4 4 ILE HG22 H 1 0.917 0.02 . 1 . . . A 11 ILE HG22 . 25036 1 35 . 1 1 4 4 ILE HG23 H 1 0.917 0.02 . 1 . . . A 11 ILE HG23 . 25036 1 36 . 1 1 4 4 ILE HD11 H 1 0.691 0.02 . 1 . . . A 11 ILE HD11 . 25036 1 37 . 1 1 4 4 ILE HD12 H 1 0.691 0.02 . 1 . . . A 11 ILE HD12 . 25036 1 38 . 1 1 4 4 ILE HD13 H 1 0.691 0.02 . 1 . . . A 11 ILE HD13 . 25036 1 39 . 1 1 4 4 ILE CA C 13 58.727 5.00 . 1 . . . A 11 ILE CA . 25036 1 40 . 1 1 4 4 ILE CB C 13 41.588 5.00 . 1 . . . A 11 ILE CB . 25036 1 41 . 1 1 4 4 ILE CG1 C 13 24.814 5.00 . 1 . . . A 11 ILE CG1 . 25036 1 42 . 1 1 4 4 ILE CG2 C 13 17.694 5.00 . 1 . . . A 11 ILE CG2 . 25036 1 43 . 1 1 4 4 ILE CD1 C 13 13.983 5.00 . 1 . . . A 11 ILE CD1 . 25036 1 44 . 1 1 4 4 ILE N N 15 116.404 0.20 . 1 . . . A 11 ILE N . 25036 1 45 . 1 1 5 5 LYS H H 1 8.749 0.02 . 1 . . . A 12 LYS H . 25036 1 46 . 1 1 5 5 LYS HA H 1 5.228 0.02 . 1 . . . A 12 LYS HA . 25036 1 47 . 1 1 5 5 LYS HB2 H 1 1.623 0.02 . 2 . . . A 12 LYS HB2 . 25036 1 48 . 1 1 5 5 LYS HB3 H 1 1.623 0.02 . 2 . . . A 12 LYS HB3 . 25036 1 49 . 1 1 5 5 LYS HG2 H 1 1.424 0.02 . 2 . . . A 12 LYS HG2 . 25036 1 50 . 1 1 5 5 LYS HG3 H 1 1.265 0.02 . 2 . . . A 12 LYS HG3 . 25036 1 51 . 1 1 5 5 LYS HE2 H 1 2.928 0.02 . 2 . . . A 12 LYS HE2 . 25036 1 52 . 1 1 5 5 LYS HE3 H 1 2.928 0.02 . 2 . . . A 12 LYS HE3 . 25036 1 53 . 1 1 5 5 LYS CA C 13 54.358 5.00 . 1 . . . A 12 LYS CA . 25036 1 54 . 1 1 5 5 LYS CB C 13 35.887 5.00 . 1 . . . A 12 LYS CB . 25036 1 55 . 1 1 5 5 LYS CG C 13 25.197 5.00 . 1 . . . A 12 LYS CG . 25036 1 56 . 1 1 5 5 LYS CD C 13 29.674 5.00 . 1 . . . A 12 LYS CD . 25036 1 57 . 1 1 5 5 LYS CE C 13 41.611 5.00 . 1 . . . A 12 LYS CE . 25036 1 58 . 1 1 5 5 LYS N N 15 120.261 0.20 . 1 . . . A 12 LYS N . 25036 1 59 . 1 1 6 6 ILE H H 1 9.325 0.02 . 1 . . . A 13 ILE H . 25036 1 60 . 1 1 6 6 ILE HA H 1 4.980 0.02 . 1 . . . A 13 ILE HA . 25036 1 61 . 1 1 6 6 ILE HB H 1 2.125 0.02 . 1 . . . A 13 ILE HB . 25036 1 62 . 1 1 6 6 ILE HG12 H 1 1.350 0.02 . 2 . . . A 13 ILE HG12 . 25036 1 63 . 1 1 6 6 ILE HG21 H 1 0.807 0.02 . 1 . . . A 13 ILE HG21 . 25036 1 64 . 1 1 6 6 ILE HG22 H 1 0.807 0.02 . 1 . . . A 13 ILE HG22 . 25036 1 65 . 1 1 6 6 ILE HG23 H 1 0.807 0.02 . 1 . . . A 13 ILE HG23 . 25036 1 66 . 1 1 6 6 ILE HD11 H 1 0.624 0.02 . 1 . . . A 13 ILE HD11 . 25036 1 67 . 1 1 6 6 ILE HD12 H 1 0.624 0.02 . 1 . . . A 13 ILE HD12 . 25036 1 68 . 1 1 6 6 ILE HD13 H 1 0.624 0.02 . 1 . . . A 13 ILE HD13 . 25036 1 69 . 1 1 6 6 ILE CA C 13 58.882 5.00 . 1 . . . A 13 ILE CA . 25036 1 70 . 1 1 6 6 ILE CB C 13 37.469 5.00 . 1 . . . A 13 ILE CB . 25036 1 71 . 1 1 6 6 ILE CG1 C 13 27.416 5.00 . 1 . . . A 13 ILE CG1 . 25036 1 72 . 1 1 6 6 ILE CG2 C 13 19.289 5.00 . 1 . . . A 13 ILE CG2 . 25036 1 73 . 1 1 6 6 ILE N N 15 123.207 0.20 . 1 . . . A 13 ILE N . 25036 1 74 . 1 1 7 7 VAL H H 1 9.199 0.02 . 1 . . . A 14 VAL H . 25036 1 75 . 1 1 7 7 VAL CA C 13 58.808 5.00 . 1 . . . A 14 VAL CA . 25036 1 76 . 1 1 7 7 VAL CB C 13 33.939 5.00 . 1 . . . A 14 VAL CB . 25036 1 77 . 1 1 7 7 VAL N N 15 126.755 0.20 . 1 . . . A 14 VAL N . 25036 1 78 . 1 1 8 8 PRO HA H 1 4.790 0.02 . 1 . . . A 15 PRO HA . 25036 1 79 . 1 1 8 8 PRO HB2 H 1 2.048 0.02 . 2 . . . A 15 PRO HB2 . 25036 1 80 . 1 1 8 8 PRO HB3 H 1 2.287 0.02 . 2 . . . A 15 PRO HB3 . 25036 1 81 . 1 1 8 8 PRO CA C 13 61.984 5.00 . 1 . . . A 15 PRO CA . 25036 1 82 . 1 1 8 8 PRO CB C 13 32.080 5.00 . 1 . . . A 15 PRO CB . 25036 1 83 . 1 1 8 8 PRO CD C 13 50.242 5.00 . 1 . . . A 15 PRO CD . 25036 1 84 . 1 1 9 9 ALA H H 1 8.491 0.02 . 1 . . . A 16 ALA H . 25036 1 85 . 1 1 9 9 ALA HA H 1 4.109 0.02 . 1 . . . A 16 ALA HA . 25036 1 86 . 1 1 9 9 ALA HB1 H 1 1.464 0.02 . 1 . . . A 16 ALA HB1 . 25036 1 87 . 1 1 9 9 ALA HB2 H 1 1.464 0.02 . 1 . . . A 16 ALA HB2 . 25036 1 88 . 1 1 9 9 ALA HB3 H 1 1.464 0.02 . 1 . . . A 16 ALA HB3 . 25036 1 89 . 1 1 9 9 ALA CA C 13 54.058 5.00 . 1 . . . A 16 ALA CA . 25036 1 90 . 1 1 9 9 ALA CB C 13 19.672 5.00 . 1 . . . A 16 ALA CB . 25036 1 91 . 1 1 9 9 ALA N N 15 125.807 0.20 . 1 . . . A 16 ALA N . 25036 1 92 . 1 1 10 10 VAL H H 1 7.881 0.02 . 1 . . . A 17 VAL H . 25036 1 93 . 1 1 10 10 VAL HA H 1 4.292 0.02 . 1 . . . A 17 VAL HA . 25036 1 94 . 1 1 10 10 VAL HB H 1 2.058 0.02 . 1 . . . A 17 VAL HB . 25036 1 95 . 1 1 10 10 VAL HG11 H 1 0.948 0.02 . 2 . . . A 17 VAL HG11 . 25036 1 96 . 1 1 10 10 VAL HG12 H 1 0.948 0.02 . 2 . . . A 17 VAL HG12 . 25036 1 97 . 1 1 10 10 VAL HG13 H 1 0.948 0.02 . 2 . . . A 17 VAL HG13 . 25036 1 98 . 1 1 10 10 VAL HG21 H 1 0.948 0.02 . 2 . . . A 17 VAL HG21 . 25036 1 99 . 1 1 10 10 VAL HG22 H 1 0.948 0.02 . 2 . . . A 17 VAL HG22 . 25036 1 100 . 1 1 10 10 VAL HG23 H 1 0.948 0.02 . 2 . . . A 17 VAL HG23 . 25036 1 101 . 1 1 10 10 VAL CA C 13 61.248 5.00 . 1 . . . A 17 VAL CA . 25036 1 102 . 1 1 10 10 VAL CB C 13 34.072 5.00 . 1 . . . A 17 VAL CB . 25036 1 103 . 1 1 10 10 VAL CG2 C 13 20.399 5.00 . 2 . . . A 17 VAL CG2 . 25036 1 104 . 1 1 10 10 VAL N N 15 113.674 0.20 . 1 . . . A 17 VAL N . 25036 1 105 . 1 1 11 11 GLY H H 1 8.678 0.02 . 1 . . . A 18 GLY H . 25036 1 106 . 1 1 11 11 GLY HA2 H 1 4.010 0.02 . 2 . . . A 18 GLY HA2 . 25036 1 107 . 1 1 11 11 GLY HA3 H 1 4.010 0.02 . 2 . . . A 18 GLY HA3 . 25036 1 108 . 1 1 11 11 GLY CA C 13 45.373 5.00 . 1 . . . A 18 GLY CA . 25036 1 109 . 1 1 11 11 GLY N N 15 112.520 0.20 . 1 . . . A 18 GLY N . 25036 1 110 . 1 1 12 12 GLY H H 1 8.384 0.02 . 1 . . . A 19 GLY H . 25036 1 111 . 1 1 12 12 GLY N N 15 108.636 0.20 . 1 . . . A 19 GLY N . 25036 1 112 . 1 1 13 13 GLY H H 1 8.390 0.02 . 1 . . . A 20 GLY H . 25036 1 113 . 1 1 13 13 GLY HA2 H 1 4.008 0.02 . 2 . . . A 20 GLY HA2 . 25036 1 114 . 1 1 13 13 GLY HA3 H 1 4.008 0.02 . 2 . . . A 20 GLY HA3 . 25036 1 115 . 1 1 13 13 GLY CA C 13 44.519 5.00 . 1 . . . A 20 GLY CA . 25036 1 116 . 1 1 13 13 GLY N N 15 108.905 0.20 . 1 . . . A 20 GLY N . 25036 1 117 . 1 1 14 14 SER H H 1 8.532 0.02 . 1 . . . A 21 SER H . 25036 1 118 . 1 1 14 14 SER CA C 13 57.063 5.00 . 1 . . . A 21 SER CA . 25036 1 119 . 1 1 14 14 SER CB C 13 63.292 5.00 . 1 . . . A 21 SER CB . 25036 1 120 . 1 1 14 14 SER N N 15 116.655 0.20 . 1 . . . A 21 SER N . 25036 1 121 . 1 1 15 15 PRO HA H 1 4.743 0.02 . 1 . . . A 22 PRO HA . 25036 1 122 . 1 1 15 15 PRO HB2 H 1 1.852 0.02 . 2 . . . A 22 PRO HB2 . 25036 1 123 . 1 1 15 15 PRO HB3 H 1 2.183 0.02 . 2 . . . A 22 PRO HB3 . 25036 1 124 . 1 1 15 15 PRO HD2 H 1 3.654 0.02 . 2 . . . A 22 PRO HD2 . 25036 1 125 . 1 1 15 15 PRO HD3 H 1 3.654 0.02 . 2 . . . A 22 PRO HD3 . 25036 1 126 . 1 1 15 15 PRO CA C 13 62.603 5.00 . 1 . . . A 22 PRO CA . 25036 1 127 . 1 1 15 15 PRO CB C 13 32.625 5.00 . 1 . . . A 22 PRO CB . 25036 1 128 . 1 1 15 15 PRO CG C 13 27.112 5.00 . 1 . . . A 22 PRO CG . 25036 1 129 . 1 1 15 15 PRO CD C 13 50.436 5.00 . 1 . . . A 22 PRO CD . 25036 1 130 . 1 1 16 16 LEU H H 1 8.626 0.02 . 1 . . . A 23 LEU H . 25036 1 131 . 1 1 16 16 LEU HA H 1 4.724 0.02 . 1 . . . A 23 LEU HA . 25036 1 132 . 1 1 16 16 LEU HB2 H 1 1.603 0.02 . 1 . . . A 23 LEU HB2 . 25036 1 133 . 1 1 16 16 LEU HB3 H 1 1.603 0.02 . 1 . . . A 23 LEU HB3 . 25036 1 134 . 1 1 16 16 LEU HD11 H 1 0.951 0.02 . 2 . . . A 23 LEU HD11 . 25036 1 135 . 1 1 16 16 LEU HD12 H 1 0.951 0.02 . 2 . . . A 23 LEU HD12 . 25036 1 136 . 1 1 16 16 LEU HD13 H 1 0.951 0.02 . 2 . . . A 23 LEU HD13 . 25036 1 137 . 1 1 16 16 LEU HD21 H 1 0.951 0.02 . 2 . . . A 23 LEU HD21 . 25036 1 138 . 1 1 16 16 LEU HD22 H 1 0.951 0.02 . 2 . . . A 23 LEU HD22 . 25036 1 139 . 1 1 16 16 LEU HD23 H 1 0.951 0.02 . 2 . . . A 23 LEU HD23 . 25036 1 140 . 1 1 16 16 LEU CA C 13 53.729 5.00 . 1 . . . A 23 LEU CA . 25036 1 141 . 1 1 16 16 LEU CB C 13 44.926 5.00 . 1 . . . A 23 LEU CB . 25036 1 142 . 1 1 16 16 LEU CG C 13 27.136 5.00 . 1 . . . A 23 LEU CG . 25036 1 143 . 1 1 16 16 LEU CD1 C 13 24.956 5.00 . 2 . . . A 23 LEU CD1 . 25036 1 144 . 1 1 16 16 LEU CD2 C 13 24.956 5.00 . 2 . . . A 23 LEU CD2 . 25036 1 145 . 1 1 16 16 LEU N N 15 123.040 0.20 . 1 . . . A 23 LEU N . 25036 1 146 . 1 1 17 17 GLU H H 1 8.786 0.02 . 1 . . . A 24 GLU H . 25036 1 147 . 1 1 17 17 GLU HA H 1 5.226 0.02 . 1 . . . A 24 GLU HA . 25036 1 148 . 1 1 17 17 GLU HB2 H 1 1.904 0.02 . 2 . . . A 24 GLU HB2 . 25036 1 149 . 1 1 17 17 GLU HB3 H 1 1.904 0.02 . 2 . . . A 24 GLU HB3 . 25036 1 150 . 1 1 17 17 GLU HG2 H 1 2.150 0.02 . 2 . . . A 24 GLU HG2 . 25036 1 151 . 1 1 17 17 GLU HG3 H 1 2.150 0.02 . 2 . . . A 24 GLU HG3 . 25036 1 152 . 1 1 17 17 GLU CA C 13 55.096 5.00 . 1 . . . A 24 GLU CA . 25036 1 153 . 1 1 17 17 GLU CB C 13 31.982 5.00 . 1 . . . A 24 GLU CB . 25036 1 154 . 1 1 17 17 GLU CG C 13 37.189 5.00 . 1 . . . A 24 GLU CG . 25036 1 155 . 1 1 17 17 GLU N N 15 125.487 0.20 . 1 . . . A 24 GLU N . 25036 1 156 . 1 1 18 18 LEU H H 1 8.720 0.02 . 1 . . . A 25 LEU H . 25036 1 157 . 1 1 18 18 LEU HA H 1 4.699 0.02 . 1 . . . A 25 LEU HA . 25036 1 158 . 1 1 18 18 LEU HB2 H 1 1.407 0.02 . 2 . . . A 25 LEU HB2 . 25036 1 159 . 1 1 18 18 LEU HB3 H 1 1.214 0.02 . 2 . . . A 25 LEU HB3 . 25036 1 160 . 1 1 18 18 LEU HD11 H 1 0.773 0.02 . 2 . . . A 25 LEU HD11 . 25036 1 161 . 1 1 18 18 LEU HD12 H 1 0.773 0.02 . 2 . . . A 25 LEU HD12 . 25036 1 162 . 1 1 18 18 LEU HD13 H 1 0.773 0.02 . 2 . . . A 25 LEU HD13 . 25036 1 163 . 1 1 18 18 LEU HD21 H 1 0.773 0.02 . 2 . . . A 25 LEU HD21 . 25036 1 164 . 1 1 18 18 LEU HD22 H 1 0.773 0.02 . 2 . . . A 25 LEU HD22 . 25036 1 165 . 1 1 18 18 LEU HD23 H 1 0.773 0.02 . 2 . . . A 25 LEU HD23 . 25036 1 166 . 1 1 18 18 LEU CA C 13 53.350 5.00 . 1 . . . A 25 LEU CA . 25036 1 167 . 1 1 18 18 LEU CB C 13 46.365 5.00 . 1 . . . A 25 LEU CB . 25036 1 168 . 1 1 18 18 LEU CG C 13 26.886 5.00 . 1 . . . A 25 LEU CG . 25036 1 169 . 1 1 18 18 LEU CD1 C 13 24.644 5.00 . 2 . . . A 25 LEU CD1 . 25036 1 170 . 1 1 18 18 LEU CD2 C 13 24.644 5.00 . 2 . . . A 25 LEU CD2 . 25036 1 171 . 1 1 18 18 LEU N N 15 124.808 0.20 . 1 . . . A 25 LEU N . 25036 1 172 . 1 1 19 19 GLU H H 1 8.452 0.02 . 1 . . . A 26 GLU H . 25036 1 173 . 1 1 19 19 GLU HA H 1 5.074 0.02 . 1 . . . A 26 GLU HA . 25036 1 174 . 1 1 19 19 GLU HB2 H 1 1.841 0.02 . 2 . . . A 26 GLU HB2 . 25036 1 175 . 1 1 19 19 GLU HB3 H 1 1.841 0.02 . 2 . . . A 26 GLU HB3 . 25036 1 176 . 1 1 19 19 GLU HG2 H 1 2.203 0.02 . 2 . . . A 26 GLU HG2 . 25036 1 177 . 1 1 19 19 GLU HG3 H 1 1.995 0.02 . 2 . . . A 26 GLU HG3 . 25036 1 178 . 1 1 19 19 GLU CA C 13 55.353 5.00 . 1 . . . A 26 GLU CA . 25036 1 179 . 1 1 19 19 GLU CB C 13 30.623 5.00 . 1 . . . A 26 GLU CB . 25036 1 180 . 1 1 19 19 GLU CG C 13 36.711 5.00 . 1 . . . A 26 GLU CG . 25036 1 181 . 1 1 19 19 GLU N N 15 122.791 0.20 . 1 . . . A 26 GLU N . 25036 1 182 . 1 1 20 20 VAL H H 1 9.040 0.02 . 1 . . . A 27 VAL H . 25036 1 183 . 1 1 20 20 VAL HA H 1 4.609 0.02 . 1 . . . A 27 VAL HA . 25036 1 184 . 1 1 20 20 VAL HB H 1 1.926 0.02 . 1 . . . A 27 VAL HB . 25036 1 185 . 1 1 20 20 VAL HG11 H 1 0.681 0.02 . 2 . . . A 27 VAL HG11 . 25036 1 186 . 1 1 20 20 VAL HG12 H 1 0.681 0.02 . 2 . . . A 27 VAL HG12 . 25036 1 187 . 1 1 20 20 VAL HG13 H 1 0.681 0.02 . 2 . . . A 27 VAL HG13 . 25036 1 188 . 1 1 20 20 VAL HG21 H 1 0.565 0.02 . 2 . . . A 27 VAL HG21 . 25036 1 189 . 1 1 20 20 VAL HG22 H 1 0.565 0.02 . 2 . . . A 27 VAL HG22 . 25036 1 190 . 1 1 20 20 VAL HG23 H 1 0.565 0.02 . 2 . . . A 27 VAL HG23 . 25036 1 191 . 1 1 20 20 VAL CA C 13 58.764 5.00 . 1 . . . A 27 VAL CA . 25036 1 192 . 1 1 20 20 VAL CB C 13 35.753 5.00 . 1 . . . A 27 VAL CB . 25036 1 193 . 1 1 20 20 VAL CG1 C 13 18.856 5.00 . 2 . . . A 27 VAL CG1 . 25036 1 194 . 1 1 20 20 VAL CG2 C 13 21.916 5.00 . 2 . . . A 27 VAL CG2 . 25036 1 195 . 1 1 20 20 VAL N N 15 119.526 0.20 . 1 . . . A 27 VAL N . 25036 1 196 . 1 1 21 21 ALA H H 1 8.243 0.02 . 1 . . . A 28 ALA H . 25036 1 197 . 1 1 21 21 ALA CA C 13 49.749 5.00 . 1 . . . A 28 ALA CA . 25036 1 198 . 1 1 21 21 ALA CB C 13 19.234 5.00 . 1 . . . A 28 ALA CB . 25036 1 199 . 1 1 21 21 ALA N N 15 125.087 0.20 . 1 . . . A 28 ALA N . 25036 1 200 . 1 1 22 22 PRO HA H 1 4.142 0.02 . 1 . . . A 29 PRO HA . 25036 1 201 . 1 1 22 22 PRO HB2 H 1 1.935 0.02 . 2 . . . A 29 PRO HB2 . 25036 1 202 . 1 1 22 22 PRO HB3 H 1 2.309 0.02 . 2 . . . A 29 PRO HB3 . 25036 1 203 . 1 1 22 22 PRO CA C 13 64.626 5.00 . 1 . . . A 29 PRO CA . 25036 1 204 . 1 1 22 22 PRO CB C 13 31.701 5.00 . 1 . . . A 29 PRO CB . 25036 1 205 . 1 1 22 22 PRO CG C 13 27.467 5.00 . 1 . . . A 29 PRO CG . 25036 1 206 . 1 1 22 22 PRO CD C 13 49.896 5.00 . 1 . . . A 29 PRO CD . 25036 1 207 . 1 1 23 23 ASN H H 1 7.668 0.02 . 1 . . . A 30 ASN H . 25036 1 208 . 1 1 23 23 ASN HA H 1 4.648 0.02 . 1 . . . A 30 ASN HA . 25036 1 209 . 1 1 23 23 ASN HB2 H 1 3.088 0.02 . 2 . . . A 30 ASN HB2 . 25036 1 210 . 1 1 23 23 ASN HB3 H 1 2.735 0.02 . 2 . . . A 30 ASN HB3 . 25036 1 211 . 1 1 23 23 ASN CA C 13 52.098 5.00 . 1 . . . A 30 ASN CA . 25036 1 212 . 1 1 23 23 ASN CB C 13 36.994 5.00 . 1 . . . A 30 ASN CB . 25036 1 213 . 1 1 23 23 ASN N N 15 109.945 0.20 . 1 . . . A 30 ASN N . 25036 1 214 . 1 1 24 24 ALA H H 1 7.678 0.02 . 1 . . . A 31 ALA H . 25036 1 215 . 1 1 24 24 ALA HA H 1 4.294 0.02 . 1 . . . A 31 ALA HA . 25036 1 216 . 1 1 24 24 ALA HB1 H 1 1.428 0.02 . 1 . . . A 31 ALA HB1 . 25036 1 217 . 1 1 24 24 ALA HB2 H 1 1.428 0.02 . 1 . . . A 31 ALA HB2 . 25036 1 218 . 1 1 24 24 ALA HB3 H 1 1.428 0.02 . 1 . . . A 31 ALA HB3 . 25036 1 219 . 1 1 24 24 ALA CA C 13 52.498 5.00 . 1 . . . A 31 ALA CA . 25036 1 220 . 1 1 24 24 ALA CB C 13 18.992 5.00 . 1 . . . A 31 ALA CB . 25036 1 221 . 1 1 24 24 ALA N N 15 122.630 0.20 . 1 . . . A 31 ALA N . 25036 1 222 . 1 1 25 25 THR H H 1 7.745 0.02 . 1 . . . A 32 THR H . 25036 1 223 . 1 1 25 25 THR HA H 1 4.859 0.02 . 1 . . . A 32 THR HA . 25036 1 224 . 1 1 25 25 THR HG21 H 1 1.228 0.02 . 1 . . . A 32 THR HG21 . 25036 1 225 . 1 1 25 25 THR HG22 H 1 1.228 0.02 . 1 . . . A 32 THR HG22 . 25036 1 226 . 1 1 25 25 THR HG23 H 1 1.228 0.02 . 1 . . . A 32 THR HG23 . 25036 1 227 . 1 1 25 25 THR CA C 13 59.244 5.00 . 1 . . . A 32 THR CA . 25036 1 228 . 1 1 25 25 THR CB C 13 71.089 5.00 . 1 . . . A 32 THR CB . 25036 1 229 . 1 1 25 25 THR CG2 C 13 21.526 5.00 . 1 . . . A 32 THR CG2 . 25036 1 230 . 1 1 25 25 THR N N 15 108.310 0.20 . 1 . . . A 32 THR N . 25036 1 231 . 1 1 26 26 VAL H H 1 8.940 0.02 . 1 . . . A 33 VAL H . 25036 1 232 . 1 1 26 26 VAL HA H 1 3.179 0.02 . 1 . . . A 33 VAL HA . 25036 1 233 . 1 1 26 26 VAL HB H 1 2.404 0.02 . 1 . . . A 33 VAL HB . 25036 1 234 . 1 1 26 26 VAL HG11 H 1 0.926 0.02 . 2 . . . A 33 VAL HG11 . 25036 1 235 . 1 1 26 26 VAL HG12 H 1 0.926 0.02 . 2 . . . A 33 VAL HG12 . 25036 1 236 . 1 1 26 26 VAL HG13 H 1 0.926 0.02 . 2 . . . A 33 VAL HG13 . 25036 1 237 . 1 1 26 26 VAL HG21 H 1 0.802 0.02 . 2 . . . A 33 VAL HG21 . 25036 1 238 . 1 1 26 26 VAL HG22 H 1 0.802 0.02 . 2 . . . A 33 VAL HG22 . 25036 1 239 . 1 1 26 26 VAL HG23 H 1 0.802 0.02 . 2 . . . A 33 VAL HG23 . 25036 1 240 . 1 1 26 26 VAL CA C 13 66.683 5.00 . 1 . . . A 33 VAL CA . 25036 1 241 . 1 1 26 26 VAL CB C 13 31.460 5.00 . 1 . . . A 33 VAL CB . 25036 1 242 . 1 1 26 26 VAL CG1 C 13 24.798 5.00 . 2 . . . A 33 VAL CG1 . 25036 1 243 . 1 1 26 26 VAL N N 15 121.284 0.20 . 1 . . . A 33 VAL N . 25036 1 244 . 1 1 27 27 GLY H H 1 9.397 0.02 . 1 . . . A 34 GLY H . 25036 1 245 . 1 1 27 27 GLY HA2 H 1 3.869 0.02 . 2 . . . A 34 GLY HA2 . 25036 1 246 . 1 1 27 27 GLY HA3 H 1 3.691 0.02 . 2 . . . A 34 GLY HA3 . 25036 1 247 . 1 1 27 27 GLY CA C 13 46.942 5.00 . 1 . . . A 34 GLY CA . 25036 1 248 . 1 1 27 27 GLY N N 15 107.393 0.20 . 1 . . . A 34 GLY N . 25036 1 249 . 1 1 28 28 ALA H H 1 8.044 0.02 . 1 . . . A 35 ALA H . 25036 1 250 . 1 1 28 28 ALA HA H 1 4.107 0.02 . 1 . . . A 35 ALA HA . 25036 1 251 . 1 1 28 28 ALA HB1 H 1 1.548 0.02 . 1 . . . A 35 ALA HB1 . 25036 1 252 . 1 1 28 28 ALA HB2 H 1 1.548 0.02 . 1 . . . A 35 ALA HB2 . 25036 1 253 . 1 1 28 28 ALA HB3 H 1 1.548 0.02 . 1 . . . A 35 ALA HB3 . 25036 1 254 . 1 1 28 28 ALA CA C 13 55.200 5.00 . 1 . . . A 35 ALA CA . 25036 1 255 . 1 1 28 28 ALA CB C 13 18.206 5.00 . 1 . . . A 35 ALA CB . 25036 1 256 . 1 1 28 28 ALA N N 15 126.449 0.20 . 1 . . . A 35 ALA N . 25036 1 257 . 1 1 29 29 VAL H H 1 7.726 0.02 . 1 . . . A 36 VAL H . 25036 1 258 . 1 1 29 29 VAL HA H 1 3.371 0.02 . 1 . . . A 36 VAL HA . 25036 1 259 . 1 1 29 29 VAL HB H 1 2.029 0.02 . 1 . . . A 36 VAL HB . 25036 1 260 . 1 1 29 29 VAL HG11 H 1 0.847 0.02 . 2 . . . A 36 VAL HG11 . 25036 1 261 . 1 1 29 29 VAL HG12 H 1 0.847 0.02 . 2 . . . A 36 VAL HG12 . 25036 1 262 . 1 1 29 29 VAL HG13 H 1 0.847 0.02 . 2 . . . A 36 VAL HG13 . 25036 1 263 . 1 1 29 29 VAL HG21 H 1 0.550 0.02 . 2 . . . A 36 VAL HG21 . 25036 1 264 . 1 1 29 29 VAL HG22 H 1 0.550 0.02 . 2 . . . A 36 VAL HG22 . 25036 1 265 . 1 1 29 29 VAL HG23 H 1 0.550 0.02 . 2 . . . A 36 VAL HG23 . 25036 1 266 . 1 1 29 29 VAL CA C 13 66.668 5.00 . 1 . . . A 36 VAL CA . 25036 1 267 . 1 1 29 29 VAL CB C 13 31.570 5.00 . 1 . . . A 36 VAL CB . 25036 1 268 . 1 1 29 29 VAL CG1 C 13 21.662 5.00 . 2 . . . A 36 VAL CG1 . 25036 1 269 . 1 1 29 29 VAL N N 15 119.722 0.20 . 1 . . . A 36 VAL N . 25036 1 270 . 1 1 30 30 ARG H H 1 9.487 0.02 . 1 . . . A 37 ARG H . 25036 1 271 . 1 1 30 30 ARG HA H 1 3.586 0.02 . 1 . . . A 37 ARG HA . 25036 1 272 . 1 1 30 30 ARG HB2 H 1 1.627 0.02 . 2 . . . A 37 ARG HB2 . 25036 1 273 . 1 1 30 30 ARG HB3 H 1 1.627 0.02 . 2 . . . A 37 ARG HB3 . 25036 1 274 . 1 1 30 30 ARG HG2 H 1 2.151 0.02 . 2 . . . A 37 ARG HG2 . 25036 1 275 . 1 1 30 30 ARG HG3 H 1 2.151 0.02 . 2 . . . A 37 ARG HG3 . 25036 1 276 . 1 1 30 30 ARG CA C 13 60.826 5.00 . 1 . . . A 37 ARG CA . 25036 1 277 . 1 1 30 30 ARG CB C 13 31.997 5.00 . 1 . . . A 37 ARG CB . 25036 1 278 . 1 1 30 30 ARG CG C 13 27.608 5.00 . 1 . . . A 37 ARG CG . 25036 1 279 . 1 1 30 30 ARG CD C 13 42.767 5.00 . 1 . . . A 37 ARG CD . 25036 1 280 . 1 1 30 30 ARG N N 15 120.500 0.20 . 1 . . . A 37 ARG N . 25036 1 281 . 1 1 31 31 THR H H 1 8.621 0.02 . 1 . . . A 38 THR H . 25036 1 282 . 1 1 31 31 THR HA H 1 4.224 0.02 . 1 . . . A 38 THR HA . 25036 1 283 . 1 1 31 31 THR HB H 1 3.794 0.02 . 1 . . . A 38 THR HB . 25036 1 284 . 1 1 31 31 THR HG21 H 1 1.257 0.02 . 1 . . . A 38 THR HG21 . 25036 1 285 . 1 1 31 31 THR HG22 H 1 1.257 0.02 . 1 . . . A 38 THR HG22 . 25036 1 286 . 1 1 31 31 THR HG23 H 1 1.257 0.02 . 1 . . . A 38 THR HG23 . 25036 1 287 . 1 1 31 31 THR CA C 13 68.761 5.00 . 1 . . . A 38 THR CA . 25036 1 288 . 1 1 31 31 THR CB C 13 66.850 5.00 . 1 . . . A 38 THR CB . 25036 1 289 . 1 1 31 31 THR CG2 C 13 21.200 5.00 . 1 . . . A 38 THR CG2 . 25036 1 290 . 1 1 31 31 THR N N 15 114.379 0.20 . 1 . . . A 38 THR N . 25036 1 291 . 1 1 32 32 LYS H H 1 7.499 0.02 . 1 . . . A 39 LYS H . 25036 1 292 . 1 1 32 32 LYS HA H 1 4.223 0.02 . 1 . . . A 39 LYS HA . 25036 1 293 . 1 1 32 32 LYS HB2 H 1 1.991 0.02 . 2 . . . A 39 LYS HB2 . 25036 1 294 . 1 1 32 32 LYS HB3 H 1 1.991 0.02 . 2 . . . A 39 LYS HB3 . 25036 1 295 . 1 1 32 32 LYS HG2 H 1 1.506 0.02 . 2 . . . A 39 LYS HG2 . 25036 1 296 . 1 1 32 32 LYS HG3 H 1 1.506 0.02 . 2 . . . A 39 LYS HG3 . 25036 1 297 . 1 1 32 32 LYS HD2 H 1 1.691 0.02 . 2 . . . A 39 LYS HD2 . 25036 1 298 . 1 1 32 32 LYS HD3 H 1 1.691 0.02 . 2 . . . A 39 LYS HD3 . 25036 1 299 . 1 1 32 32 LYS HE2 H 1 3.009 0.02 . 2 . . . A 39 LYS HE2 . 25036 1 300 . 1 1 32 32 LYS HE3 H 1 3.009 0.02 . 2 . . . A 39 LYS HE3 . 25036 1 301 . 1 1 32 32 LYS CA C 13 59.264 5.00 . 1 . . . A 39 LYS CA . 25036 1 302 . 1 1 32 32 LYS CB C 13 32.003 5.00 . 1 . . . A 39 LYS CB . 25036 1 303 . 1 1 32 32 LYS CD C 13 29.023 5.00 . 1 . . . A 39 LYS CG . 25036 1 304 . 1 1 32 32 LYS CG C 13 24.506 5.00 . 1 . . . A 39 LYS CD . 25036 1 305 . 1 1 32 32 LYS N N 15 123.995 0.20 . 1 . . . A 39 LYS N . 25036 1 306 . 1 1 33 33 VAL H H 1 8.553 0.02 . 1 . . . A 40 VAL H . 25036 1 307 . 1 1 33 33 VAL HA H 1 3.501 0.02 . 1 . . . A 40 VAL HA . 25036 1 308 . 1 1 33 33 VAL HB H 1 2.171 0.02 . 1 . . . A 40 VAL HB . 25036 1 309 . 1 1 33 33 VAL HG11 H 1 1.027 0.02 . 2 . . . A 40 VAL HG11 . 25036 1 310 . 1 1 33 33 VAL HG12 H 1 1.027 0.02 . 2 . . . A 40 VAL HG12 . 25036 1 311 . 1 1 33 33 VAL HG13 H 1 1.027 0.02 . 2 . . . A 40 VAL HG13 . 25036 1 312 . 1 1 33 33 VAL HG21 H 1 0.860 0.02 . 2 . . . A 40 VAL HG21 . 25036 1 313 . 1 1 33 33 VAL HG22 H 1 0.860 0.02 . 2 . . . A 40 VAL HG22 . 25036 1 314 . 1 1 33 33 VAL HG23 H 1 0.860 0.02 . 2 . . . A 40 VAL HG23 . 25036 1 315 . 1 1 33 33 VAL CA C 13 66.733 5.00 . 1 . . . A 40 VAL CA . 25036 1 316 . 1 1 33 33 VAL CB C 13 31.320 5.00 . 1 . . . A 40 VAL CB . 25036 1 317 . 1 1 33 33 VAL CG1 C 13 23.964 5.00 . 2 . . . A 40 VAL CG1 . 25036 1 318 . 1 1 33 33 VAL N N 15 118.912 0.20 . 1 . . . A 40 VAL N . 25036 1 319 . 1 1 34 34 CYS H H 1 8.388 0.02 . 1 . . . A 41 CYS H . 25036 1 320 . 1 1 34 34 CYS HA H 1 3.932 0.02 . 1 . . . A 41 CYS HA . 25036 1 321 . 1 1 34 34 CYS HB2 H 1 3.184 0.02 . 2 . . . A 41 CYS HB2 . 25036 1 322 . 1 1 34 34 CYS HB3 H 1 2.997 0.02 . 2 . . . A 41 CYS HB3 . 25036 1 323 . 1 1 34 34 CYS CA C 13 65.365 5.00 . 1 . . . A 41 CYS CA . 25036 1 324 . 1 1 34 34 CYS CB C 13 25.920 5.00 . 1 . . . A 41 CYS CB . 25036 1 325 . 1 1 34 34 CYS N N 15 116.608 0.20 . 1 . . . A 41 CYS N . 25036 1 326 . 1 1 35 35 ALA H H 1 7.844 0.02 . 1 . . . A 42 ALA H . 25036 1 327 . 1 1 35 35 ALA HA H 1 4.266 0.02 . 1 . . . A 42 ALA HA . 25036 1 328 . 1 1 35 35 ALA HB1 H 1 1.564 0.02 . 1 . . . A 42 ALA HB1 . 25036 1 329 . 1 1 35 35 ALA HB2 H 1 1.564 0.02 . 1 . . . A 42 ALA HB2 . 25036 1 330 . 1 1 35 35 ALA HB3 H 1 1.564 0.02 . 1 . . . A 42 ALA HB3 . 25036 1 331 . 1 1 35 35 ALA CA C 13 54.860 5.00 . 1 . . . A 42 ALA CA . 25036 1 332 . 1 1 35 35 ALA CB C 13 18.223 5.00 . 1 . . . A 42 ALA CB . 25036 1 333 . 1 1 35 35 ALA N N 15 121.216 0.20 . 1 . . . A 42 ALA N . 25036 1 334 . 1 1 36 36 MET H H 1 8.378 0.02 . 1 . . . A 43 MET H . 25036 1 335 . 1 1 36 36 MET HA H 1 4.116 0.02 . 1 . . . A 43 MET HA . 25036 1 336 . 1 1 36 36 MET HB2 H 1 2.233 0.02 . 2 . . . A 43 MET HB2 . 25036 1 337 . 1 1 36 36 MET HB3 H 1 2.109 0.02 . 2 . . . A 43 MET HB3 . 25036 1 338 . 1 1 36 36 MET HG2 H 1 2.861 0.02 . 2 . . . A 43 MET HG2 . 25036 1 339 . 1 1 36 36 MET HG3 H 1 2.579 0.02 . 2 . . . A 43 MET HG3 . 25036 1 340 . 1 1 36 36 MET CA C 13 59.052 5.00 . 1 . . . A 43 MET CA . 25036 1 341 . 1 1 36 36 MET CB C 13 34.028 5.00 . 1 . . . A 43 MET CB . 25036 1 342 . 1 1 36 36 MET N N 15 117.555 0.20 . 1 . . . A 43 MET N . 25036 1 343 . 1 1 37 37 LYS H H 1 8.068 0.02 . 1 . . . A 44 LYS H . 25036 1 344 . 1 1 37 37 LYS HA H 1 4.354 0.02 . 1 . . . A 44 LYS HA . 25036 1 345 . 1 1 37 37 LYS HB2 H 1 2.013 0.02 . 2 . . . A 44 LYS HB2 . 25036 1 346 . 1 1 37 37 LYS HB3 H 1 1.616 0.02 . 2 . . . A 44 LYS HB3 . 25036 1 347 . 1 1 37 37 LYS HG2 H 1 1.376 0.02 . 2 . . . A 44 LYS HG2 . 25036 1 348 . 1 1 37 37 LYS HG3 H 1 1.376 0.02 . 2 . . . A 44 LYS HG3 . 25036 1 349 . 1 1 37 37 LYS HE2 H 1 2.857 0.02 . 2 . . . A 44 LYS HE2 . 25036 1 350 . 1 1 37 37 LYS HE3 H 1 2.857 0.02 . 2 . . . A 44 LYS HE3 . 25036 1 351 . 1 1 37 37 LYS CA C 13 55.116 5.00 . 1 . . . A 44 LYS CA . 25036 1 352 . 1 1 37 37 LYS CB C 13 32.497 5.00 . 1 . . . A 44 LYS CB . 25036 1 353 . 1 1 37 37 LYS CG C 13 24.398 5.00 . 1 . . . A 44 LYS CG . 25036 1 354 . 1 1 37 37 LYS CD C 13 28.452 5.00 . 1 . . . A 44 LYS CD . 25036 1 355 . 1 1 37 37 LYS N N 15 114.814 0.20 . 1 . . . A 44 LYS N . 25036 1 356 . 1 1 38 38 LYS H H 1 7.633 0.02 . 1 . . . A 45 LYS H . 25036 1 357 . 1 1 38 38 LYS HA H 1 3.974 0.02 . 1 . . . A 45 LYS HA . 25036 1 358 . 1 1 38 38 LYS HB2 H 1 2.086 0.02 . 2 . . . A 45 LYS HB2 . 25036 1 359 . 1 1 38 38 LYS HB3 H 1 1.863 0.02 . 2 . . . A 45 LYS HB3 . 25036 1 360 . 1 1 38 38 LYS HG2 H 1 1.367 0.02 . 2 . . . A 45 LYS HG2 . 25036 1 361 . 1 1 38 38 LYS HG3 H 1 1.367 0.02 . 2 . . . A 45 LYS HG3 . 25036 1 362 . 1 1 38 38 LYS HD2 H 1 1.710 0.02 . 2 . . . A 45 LYS HD2 . 25036 1 363 . 1 1 38 38 LYS HD3 H 1 1.710 0.02 . 2 . . . A 45 LYS HD3 . 25036 1 364 . 1 1 38 38 LYS HE2 H 1 3.026 0.02 . 2 . . . A 45 LYS HE2 . 25036 1 365 . 1 1 38 38 LYS HE3 H 1 3.026 0.02 . 2 . . . A 45 LYS HE3 . 25036 1 366 . 1 1 38 38 LYS CA C 13 56.966 5.00 . 1 . . . A 45 LYS CA . 25036 1 367 . 1 1 38 38 LYS CB C 13 28.754 5.00 . 1 . . . A 45 LYS CB . 25036 1 368 . 1 1 38 38 LYS CG C 13 24.599 5.00 . 1 . . . A 45 LYS CG . 25036 1 369 . 1 1 38 38 LYS CE C 13 42.197 5.00 . 1 . . . A 45 LYS CE . 25036 1 370 . 1 1 38 38 LYS N N 15 118.534 0.20 . 1 . . . A 45 LYS N . 25036 1 371 . 1 1 39 39 LEU H H 1 8.464 0.02 . 1 . . . A 46 LEU H . 25036 1 372 . 1 1 39 39 LEU CA C 13 51.248 5.00 . 1 . . . A 46 LEU CA . 25036 1 373 . 1 1 39 39 LEU N N 15 119.644 0.20 . 1 . . . A 46 LEU N . 25036 1 374 . 1 1 41 41 PRO HA H 1 4.634 0.02 . 1 . . . A 48 PRO HA . 25036 1 375 . 1 1 41 41 PRO HB2 H 1 2.120 0.02 . 2 . . . A 48 PRO HB2 . 25036 1 376 . 1 1 41 41 PRO HB3 H 1 2.295 0.02 . 2 . . . A 48 PRO HB3 . 25036 1 377 . 1 1 41 41 PRO CA C 13 64.948 5.00 . 1 . . . A 48 PRO CA . 25036 1 378 . 1 1 41 41 PRO CB C 13 31.877 5.00 . 1 . . . A 48 PRO CB . 25036 1 379 . 1 1 41 41 PRO CG C 13 27.663 5.00 . 1 . . . A 48 PRO CG . 25036 1 380 . 1 1 41 41 PRO CD C 13 51.017 5.00 . 1 . . . A 48 PRO CD . 25036 1 381 . 1 1 42 42 ASP H H 1 8.757 0.02 . 1 . . . A 49 ASP H . 25036 1 382 . 1 1 42 42 ASP HA H 1 4.548 0.02 . 1 . . . A 49 ASP HA . 25036 1 383 . 1 1 42 42 ASP HB2 H 1 2.723 0.02 . 2 . . . A 49 ASP HB2 . 25036 1 384 . 1 1 42 42 ASP HB3 H 1 2.723 0.02 . 2 . . . A 49 ASP HB3 . 25036 1 385 . 1 1 42 42 ASP CA C 13 56.103 5.00 . 1 . . . A 49 ASP CA . 25036 1 386 . 1 1 42 42 ASP CB C 13 40.001 5.00 . 1 . . . A 49 ASP CB . 25036 1 387 . 1 1 42 42 ASP N N 15 114.068 0.20 . 1 . . . A 49 ASP N . 25036 1 388 . 1 1 43 43 THR H H 1 7.248 0.02 . 1 . . . A 50 THR H . 25036 1 389 . 1 1 43 43 THR HA H 1 4.587 0.02 . 1 . . . A 50 THR HA . 25036 1 390 . 1 1 43 43 THR HG21 H 1 1.118 0.02 . 1 . . . A 50 THR HG21 . 25036 1 391 . 1 1 43 43 THR HG22 H 1 1.118 0.02 . 1 . . . A 50 THR HG22 . 25036 1 392 . 1 1 43 43 THR HG23 H 1 1.118 0.02 . 1 . . . A 50 THR HG23 . 25036 1 393 . 1 1 43 43 THR CA C 13 60.473 5.00 . 1 . . . A 50 THR CA . 25036 1 394 . 1 1 43 43 THR CB C 13 69.108 5.00 . 1 . . . A 50 THR CB . 25036 1 395 . 1 1 43 43 THR CG2 C 13 21.086 5.00 . 1 . . . A 50 THR CG2 . 25036 1 396 . 1 1 43 43 THR N N 15 104.972 0.20 . 1 . . . A 50 THR N . 25036 1 397 . 1 1 44 44 THR H H 1 7.099 0.02 . 1 . . . A 51 THR H . 25036 1 398 . 1 1 44 44 THR HA H 1 5.008 0.02 . 1 . . . A 51 THR HA . 25036 1 399 . 1 1 44 44 THR HB H 1 3.759 0.02 . 1 . . . A 51 THR HB . 25036 1 400 . 1 1 44 44 THR HG21 H 1 1.068 0.02 . 1 . . . A 51 THR HG21 . 25036 1 401 . 1 1 44 44 THR HG22 H 1 1.068 0.02 . 1 . . . A 51 THR HG22 . 25036 1 402 . 1 1 44 44 THR HG23 H 1 1.068 0.02 . 1 . . . A 51 THR HG23 . 25036 1 403 . 1 1 44 44 THR CA C 13 62.480 5.00 . 1 . . . A 51 THR CA . 25036 1 404 . 1 1 44 44 THR CB C 13 70.512 5.00 . 1 . . . A 51 THR CB . 25036 1 405 . 1 1 44 44 THR CG2 C 13 21.934 5.00 . 1 . . . A 51 THR CG2 . 25036 1 406 . 1 1 44 44 THR N N 15 117.713 0.20 . 1 . . . A 51 THR N . 25036 1 407 . 1 1 45 45 ARG H H 1 9.191 0.02 . 1 . . . A 52 ARG H . 25036 1 408 . 1 1 45 45 ARG HA H 1 4.704 0.02 . 1 . . . A 52 ARG HA . 25036 1 409 . 1 1 45 45 ARG HB2 H 1 1.859 0.02 . 2 . . . A 52 ARG HB2 . 25036 1 410 . 1 1 45 45 ARG HB3 H 1 1.686 0.02 . 2 . . . A 52 ARG HB3 . 25036 1 411 . 1 1 45 45 ARG HD2 H 1 3.160 0.02 . 2 . . . A 52 ARG HD2 . 25036 1 412 . 1 1 45 45 ARG HD3 H 1 3.160 0.02 . 2 . . . A 52 ARG HD3 . 25036 1 413 . 1 1 45 45 ARG CA C 13 53.689 5.00 . 1 . . . A 52 ARG CA . 25036 1 414 . 1 1 45 45 ARG CB C 13 34.058 5.00 . 1 . . . A 52 ARG CB . 25036 1 415 . 1 1 45 45 ARG CG C 13 26.729 5.00 . 1 . . . A 52 ARG CG . 25036 1 416 . 1 1 45 45 ARG CD C 13 42.927 5.00 . 1 . . . A 52 ARG CD . 25036 1 417 . 1 1 45 45 ARG N N 15 125.497 0.20 . 1 . . . A 52 ARG N . 25036 1 418 . 1 1 46 46 LEU H H 1 8.768 0.02 . 1 . . . A 53 LEU H . 25036 1 419 . 1 1 46 46 LEU HA H 1 5.776 0.02 . 1 . . . A 53 LEU HA . 25036 1 420 . 1 1 46 46 LEU HB2 H 1 1.504 0.02 . 2 . . . A 53 LEU HB2 . 25036 1 421 . 1 1 46 46 LEU HB3 H 1 1.384 0.02 . 2 . . . A 53 LEU HB3 . 25036 1 422 . 1 1 46 46 LEU HD11 H 1 0.852 0.02 . 2 . . . A 53 LEU HD11 . 25036 1 423 . 1 1 46 46 LEU HD12 H 1 0.694 0.02 . 2 . . . A 53 LEU HD12 . 25036 1 424 . 1 1 46 46 LEU HD13 H 1 0.852 0.02 . 2 . . . A 53 LEU HD13 . 25036 1 425 . 1 1 46 46 LEU CA C 13 52.877 5.00 . 1 . . . A 53 LEU CA . 25036 1 426 . 1 1 46 46 LEU CB C 13 46.610 5.00 . 1 . . . A 53 LEU CB . 25036 1 427 . 1 1 46 46 LEU CD1 C 13 24.999 5.00 . 2 . . . A 53 LEU CD1 . 25036 1 428 . 1 1 46 46 LEU CD2 C 13 24.999 5.00 . 2 . . . A 53 LEU CD2 . 25036 1 429 . 1 1 46 46 LEU N N 15 119.114 0.20 . 1 . . . A 53 LEU N . 25036 1 430 . 1 1 47 47 THR H H 1 9.201 0.02 . 1 . . . A 54 THR H . 25036 1 431 . 1 1 47 47 THR HA H 1 5.160 0.02 . 1 . . . A 54 THR HA . 25036 1 432 . 1 1 47 47 THR HB H 1 3.797 0.02 . 1 . . . A 54 THR HB . 25036 1 433 . 1 1 47 47 THR HG21 H 1 0.966 0.02 . 1 . . . A 54 THR HG21 . 25036 1 434 . 1 1 47 47 THR HG22 H 1 0.966 0.02 . 1 . . . A 54 THR HG22 . 25036 1 435 . 1 1 47 47 THR HG23 H 1 0.966 0.02 . 1 . . . A 54 THR HG23 . 25036 1 436 . 1 1 47 47 THR CA C 13 59.262 5.00 . 1 . . . A 54 THR CA . 25036 1 437 . 1 1 47 47 THR CB C 13 71.910 5.00 . 1 . . . A 54 THR CB . 25036 1 438 . 1 1 47 47 THR CG2 C 13 20.657 5.00 . 1 . . . A 54 THR CG2 . 25036 1 439 . 1 1 47 47 THR N N 15 111.738 0.20 . 1 . . . A 54 THR N . 25036 1 440 . 1 1 48 48 TYR H H 1 8.180 0.02 . 1 . . . A 55 TYR H . 25036 1 441 . 1 1 48 48 TYR HA H 1 4.958 0.02 . 1 . . . A 55 TYR HA . 25036 1 442 . 1 1 48 48 TYR HB2 H 1 2.825 0.02 . 2 . . . A 55 TYR HB2 . 25036 1 443 . 1 1 48 48 TYR HB3 H 1 2.690 0.02 . 2 . . . A 55 TYR HB3 . 25036 1 444 . 1 1 48 48 TYR CA C 13 55.903 5.00 . 1 . . . A 55 TYR CA . 25036 1 445 . 1 1 48 48 TYR CB C 13 42.704 5.00 . 1 . . . A 55 TYR CB . 25036 1 446 . 1 1 48 48 TYR N N 15 119.694 0.20 . 1 . . . A 55 TYR N . 25036 1 447 . 1 1 49 49 LYS H H 1 9.347 0.02 . 1 . . . A 56 LYS H . 25036 1 448 . 1 1 49 49 LYS HA H 1 3.611 0.02 . 1 . . . A 56 LYS HA . 25036 1 449 . 1 1 49 49 LYS HB2 H 1 1.696 0.02 . 2 . . . A 56 LYS HB2 . 25036 1 450 . 1 1 49 49 LYS HB3 H 1 1.444 0.02 . 2 . . . A 56 LYS HB3 . 25036 1 451 . 1 1 49 49 LYS HE2 H 1 2.795 0.02 . 2 . . . A 56 LYS HE2 . 25036 1 452 . 1 1 49 49 LYS HE3 H 1 2.795 0.02 . 2 . . . A 56 LYS HE3 . 25036 1 453 . 1 1 49 49 LYS CA C 13 57.341 5.00 . 1 . . . A 56 LYS CA . 25036 1 454 . 1 1 49 49 LYS CB C 13 29.698 5.00 . 1 . . . A 56 LYS CB . 25036 1 455 . 1 1 49 49 LYS CG C 13 24.713 5.00 . 1 . . . A 56 LYS CG . 25036 1 456 . 1 1 49 49 LYS CE C 13 41.994 5.00 . 1 . . . A 56 LYS CE . 25036 1 457 . 1 1 49 49 LYS N N 15 127.379 0.20 . 1 . . . A 56 LYS N . 25036 1 458 . 1 1 50 50 GLY H H 1 8.835 0.02 . 1 . . . A 57 GLY H . 25036 1 459 . 1 1 50 50 GLY HA2 H 1 4.161 0.02 . 2 . . . A 57 GLY HA2 . 25036 1 460 . 1 1 50 50 GLY HA3 H 1 3.491 0.02 . 2 . . . A 57 GLY HA3 . 25036 1 461 . 1 1 50 50 GLY CA C 13 44.962 5.00 . 1 . . . A 57 GLY CA . 25036 1 462 . 1 1 50 50 GLY N N 15 103.595 0.20 . 1 . . . A 57 GLY N . 25036 1 463 . 1 1 51 51 ARG H H 1 7.924 0.02 . 1 . . . A 58 ARG H . 25036 1 464 . 1 1 51 51 ARG HA H 1 4.506 0.02 . 1 . . . A 58 ARG HA . 25036 1 465 . 1 1 51 51 ARG HB2 H 1 2.003 0.02 . 2 . . . A 58 ARG HB2 . 25036 1 466 . 1 1 51 51 ARG HB3 H 1 2.003 0.02 . 2 . . . A 58 ARG HB3 . 25036 1 467 . 1 1 51 51 ARG HG2 H 1 1.694 0.02 . 2 . . . A 58 ARG HG2 . 25036 1 468 . 1 1 51 51 ARG HG3 H 1 1.694 0.02 . 2 . . . A 58 ARG HG3 . 25036 1 469 . 1 1 51 51 ARG HD2 H 1 3.313 0.02 . 2 . . . A 58 ARG HD2 . 25036 1 470 . 1 1 51 51 ARG HD3 H 1 3.179 0.02 . 2 . . . A 58 ARG HD3 . 25036 1 471 . 1 1 51 51 ARG CA C 13 55.219 5.00 . 1 . . . A 58 ARG CA . 25036 1 472 . 1 1 51 51 ARG CB C 13 32.156 5.00 . 1 . . . A 58 ARG CB . 25036 1 473 . 1 1 51 51 ARG CG C 13 26.971 5.00 . 1 . . . A 58 ARG CG . 25036 1 474 . 1 1 51 51 ARG CD C 13 43.700 5.00 . 1 . . . A 58 ARG CD . 25036 1 475 . 1 1 51 51 ARG N N 15 122.348 0.20 . 1 . . . A 58 ARG N . 25036 1 476 . 1 1 52 52 ALA H H 1 8.541 0.02 . 1 . . . A 59 ALA H . 25036 1 477 . 1 1 52 52 ALA HA H 1 4.391 0.02 . 1 . . . A 59 ALA HA . 25036 1 478 . 1 1 52 52 ALA HB1 H 1 1.381 0.02 . 1 . . . A 59 ALA HB1 . 25036 1 479 . 1 1 52 52 ALA HB2 H 1 1.381 0.02 . 1 . . . A 59 ALA HB2 . 25036 1 480 . 1 1 52 52 ALA HB3 H 1 1.381 0.02 . 1 . . . A 59 ALA HB3 . 25036 1 481 . 1 1 52 52 ALA CA C 13 52.182 5.00 . 1 . . . A 59 ALA CA . 25036 1 482 . 1 1 52 52 ALA CB C 13 18.341 5.00 . 1 . . . A 59 ALA CB . 25036 1 483 . 1 1 52 52 ALA N N 15 125.908 0.20 . 1 . . . A 59 ALA N . 25036 1 484 . 1 1 53 53 LEU H H 1 8.158 0.02 . 1 . . . A 60 LEU H . 25036 1 485 . 1 1 53 53 LEU HA H 1 4.732 0.02 . 1 . . . A 60 LEU HA . 25036 1 486 . 1 1 53 53 LEU HB2 H 1 1.661 0.02 . 2 . . . A 60 LEU HB2 . 25036 1 487 . 1 1 53 53 LEU HB3 H 1 1.501 0.02 . 2 . . . A 60 LEU HB3 . 25036 1 488 . 1 1 53 53 LEU HD11 H 1 0.970 0.02 . 2 . . . A 60 LEU HD11 . 25036 1 489 . 1 1 53 53 LEU HD12 H 1 0.970 0.02 . 2 . . . A 60 LEU HD12 . 25036 1 490 . 1 1 53 53 LEU HD13 H 1 0.970 0.02 . 2 . . . A 60 LEU HD13 . 25036 1 491 . 1 1 53 53 LEU HD21 H 1 0.698 0.02 . 2 . . . A 60 LEU HD21 . 25036 1 492 . 1 1 53 53 LEU HD22 H 1 0.698 0.02 . 2 . . . A 60 LEU HD22 . 25036 1 493 . 1 1 53 53 LEU HD23 H 1 0.698 0.02 . 2 . . . A 60 LEU HD23 . 25036 1 494 . 1 1 53 53 LEU CA C 13 53.619 5.00 . 1 . . . A 60 LEU CA . 25036 1 495 . 1 1 53 53 LEU CB C 13 46.058 5.00 . 1 . . . A 60 LEU CB . 25036 1 496 . 1 1 53 53 LEU CD1 C 13 25.370 5.00 . 2 . . . A 60 LEU CD1 . 25036 1 497 . 1 1 53 53 LEU CD2 C 13 25.370 5.00 . 2 . . . A 60 LEU CD2 . 25036 1 498 . 1 1 53 53 LEU N N 15 121.948 0.20 . 1 . . . A 60 LEU N . 25036 1 499 . 1 1 54 54 LYS H H 1 9.695 0.02 . 1 . . . A 61 LYS H . 25036 1 500 . 1 1 54 54 LYS HA H 1 4.675 0.02 . 1 . . . A 61 LYS HA . 25036 1 501 . 1 1 54 54 LYS HB2 H 1 1.970 0.02 . 2 . . . A 61 LYS HB2 . 25036 1 502 . 1 1 54 54 LYS HG2 H 1 1.544 0.02 . 2 . . . A 61 LYS HG2 . 25036 1 503 . 1 1 54 54 LYS HG3 H 1 1.544 0.02 . 2 . . . A 61 LYS HG3 . 25036 1 504 . 1 1 54 54 LYS HE2 H 1 2.953 0.02 . 2 . . . A 61 LYS HE2 . 25036 1 505 . 1 1 54 54 LYS HE3 H 1 2.953 0.02 . 2 . . . A 61 LYS HE3 . 25036 1 506 . 1 1 54 54 LYS CA C 13 54.737 5.00 . 1 . . . A 61 LYS CA . 25036 1 507 . 1 1 54 54 LYS CB C 13 34.123 5.00 . 1 . . . A 61 LYS CB . 25036 1 508 . 1 1 54 54 LYS N N 15 123.808 0.20 . 1 . . . A 61 LYS N . 25036 1 509 . 1 1 55 55 ASP H H 1 9.034 0.02 . 1 . . . A 62 ASP H . 25036 1 510 . 1 1 55 55 ASP HA H 1 4.345 0.02 . 1 . . . A 62 ASP HA . 25036 1 511 . 1 1 55 55 ASP HB2 H 1 2.691 0.02 . 2 . . . A 62 ASP HB2 . 25036 1 512 . 1 1 55 55 ASP HB3 H 1 2.691 0.02 . 2 . . . A 62 ASP HB3 . 25036 1 513 . 1 1 55 55 ASP CA C 13 56.179 5.00 . 1 . . . A 62 ASP CA . 25036 1 514 . 1 1 55 55 ASP CB C 13 40.660 5.00 . 1 . . . A 62 ASP CB . 25036 1 515 . 1 1 55 55 ASP N N 15 121.113 0.20 . 1 . . . A 62 ASP N . 25036 1 516 . 1 1 56 56 THR H H 1 7.206 0.02 . 1 . . . A 63 THR H . 25036 1 517 . 1 1 56 56 THR HA H 1 4.441 0.02 . 1 . . . A 63 THR HA . 25036 1 518 . 1 1 56 56 THR HB H 1 4.136 0.02 . 1 . . . A 63 THR HB . 25036 1 519 . 1 1 56 56 THR HG21 H 1 1.286 0.02 . 1 . . . A 63 THR HG21 . 25036 1 520 . 1 1 56 56 THR HG22 H 1 1.286 0.02 . 1 . . . A 63 THR HG22 . 25036 1 521 . 1 1 56 56 THR HG23 H 1 1.286 0.02 . 1 . . . A 63 THR HG23 . 25036 1 522 . 1 1 56 56 THR CA C 13 61.689 5.00 . 1 . . . A 63 THR CA . 25036 1 523 . 1 1 56 56 THR CB C 13 69.027 5.00 . 1 . . . A 63 THR CB . 25036 1 524 . 1 1 56 56 THR CG2 C 13 21.597 5.00 . 1 . . . A 63 THR CG2 . 25036 1 525 . 1 1 56 56 THR N N 15 103.993 0.20 . 1 . . . A 63 THR N . 25036 1 526 . 1 1 57 57 GLU H H 1 7.526 0.02 . 1 . . . A 64 GLU H . 25036 1 527 . 1 1 57 57 GLU HA H 1 4.370 0.02 . 1 . . . A 64 GLU HA . 25036 1 528 . 1 1 57 57 GLU HB2 H 1 2.279 0.02 . 2 . . . A 64 GLU HB2 . 25036 1 529 . 1 1 57 57 GLU HB3 H 1 1.891 0.02 . 2 . . . A 64 GLU HB3 . 25036 1 530 . 1 1 57 57 GLU CA C 13 57.504 5.00 . 1 . . . A 64 GLU CA . 25036 1 531 . 1 1 57 57 GLU CB C 13 30.158 5.00 . 1 . . . A 64 GLU CB . 25036 1 532 . 1 1 57 57 GLU CG C 13 38.609 5.00 . 1 . . . A 64 GLU CG . 25036 1 533 . 1 1 57 57 GLU N N 15 121.940 0.20 . 1 . . . A 64 GLU N . 25036 1 534 . 1 1 58 58 THR H H 1 8.370 0.02 . 1 . . . A 65 THR H . 25036 1 535 . 1 1 58 58 THR HA H 1 5.066 0.02 . 1 . . . A 65 THR HA . 25036 1 536 . 1 1 58 58 THR HB H 1 4.470 0.02 . 1 . . . A 65 THR HB . 25036 1 537 . 1 1 58 58 THR HG21 H 1 1.264 0.02 . 1 . . . A 65 THR HG21 . 25036 1 538 . 1 1 58 58 THR HG22 H 1 1.264 0.02 . 1 . . . A 65 THR HG22 . 25036 1 539 . 1 1 58 58 THR HG23 H 1 1.264 0.02 . 1 . . . A 65 THR HG23 . 25036 1 540 . 1 1 58 58 THR CA C 13 59.325 5.00 . 1 . . . A 65 THR CA . 25036 1 541 . 1 1 58 58 THR CB C 13 71.446 5.00 . 1 . . . A 65 THR CB . 25036 1 542 . 1 1 58 58 THR CG2 C 13 21.540 5.00 . 1 . . . A 65 THR CG2 . 25036 1 543 . 1 1 58 58 THR N N 15 110.685 0.20 . 1 . . . A 65 THR N . 25036 1 544 . 1 1 59 59 LEU H H 1 8.630 0.02 . 1 . . . A 66 LEU H . 25036 1 545 . 1 1 59 59 LEU CB C 13 39.076 5.00 . 1 . . . A 66 LEU CB . 25036 1 546 . 1 1 59 59 LEU N N 15 122.201 0.20 . 1 . . . A 66 LEU N . 25036 1 547 . 1 1 60 60 GLU HA H 1 4.297 0.02 . 1 . . . A 67 GLU HA . 25036 1 548 . 1 1 60 60 GLU HB2 H 1 2.000 0.02 . 2 . . . A 67 GLU HB2 . 25036 1 549 . 1 1 60 60 GLU HB3 H 1 1.894 0.02 . 2 . . . A 67 GLU HB3 . 25036 1 550 . 1 1 60 60 GLU HG2 H 1 2.207 0.02 . 2 . . . A 67 GLU HG2 . 25036 1 551 . 1 1 60 60 GLU HG3 H 1 2.207 0.02 . 2 . . . A 67 GLU HG3 . 25036 1 552 . 1 1 60 60 GLU CA C 13 58.621 5.00 . 1 . . . A 67 GLU CA . 25036 1 553 . 1 1 60 60 GLU CB C 13 29.148 5.00 . 1 . . . A 67 GLU CB . 25036 1 554 . 1 1 60 60 GLU CG C 13 35.156 5.00 . 1 . . . A 67 GLU CG . 25036 1 555 . 1 1 61 61 SER H H 1 8.150 0.02 . 1 . . . A 68 SER H . 25036 1 556 . 1 1 61 61 SER HA H 1 4.215 0.02 . 1 . . . A 68 SER HA . 25036 1 557 . 1 1 61 61 SER HB2 H 1 4.035 0.02 . 2 . . . A 68 SER HB2 . 25036 1 558 . 1 1 61 61 SER HB3 H 1 4.035 0.02 . 2 . . . A 68 SER HB3 . 25036 1 559 . 1 1 61 61 SER CA C 13 61.236 5.00 . 1 . . . A 68 SER CA . 25036 1 560 . 1 1 61 61 SER CB C 13 62.747 5.00 . 1 . . . A 68 SER CB . 25036 1 561 . 1 1 61 61 SER N N 15 118.837 0.20 . 1 . . . A 68 SER N . 25036 1 562 . 1 1 62 62 LEU H H 1 7.414 0.02 . 1 . . . A 69 LEU H . 25036 1 563 . 1 1 62 62 LEU HA H 1 4.324 0.02 . 1 . . . A 69 LEU HA . 25036 1 564 . 1 1 62 62 LEU HB2 H 1 1.891 0.02 . 2 . . . A 69 LEU HB2 . 25036 1 565 . 1 1 62 62 LEU HB3 H 1 1.470 0.02 . 2 . . . A 69 LEU HB3 . 25036 1 566 . 1 1 62 62 LEU HD11 H 1 0.907 0.02 . 2 . . . A 69 LEU HD11 . 25036 1 567 . 1 1 62 62 LEU HD12 H 1 0.907 0.02 . 2 . . . A 69 LEU HD12 . 25036 1 568 . 1 1 62 62 LEU HD13 H 1 0.907 0.02 . 2 . . . A 69 LEU HD13 . 25036 1 569 . 1 1 62 62 LEU HD21 H 1 0.665 0.02 . 2 . . . A 69 LEU HD21 . 25036 1 570 . 1 1 62 62 LEU HD22 H 1 0.665 0.02 . 2 . . . A 69 LEU HD22 . 25036 1 571 . 1 1 62 62 LEU HD23 H 1 0.665 0.02 . 2 . . . A 69 LEU HD23 . 25036 1 572 . 1 1 62 62 LEU CA C 13 55.007 5.00 . 1 . . . A 69 LEU CA . 25036 1 573 . 1 1 62 62 LEU CB C 13 44.260 5.00 . 1 . . . A 69 LEU CB . 25036 1 574 . 1 1 62 62 LEU CG C 13 25.911 5.00 . 1 . . . A 69 LEU CG . 25036 1 575 . 1 1 62 62 LEU N N 15 121.146 0.20 . 1 . . . A 69 LEU N . 25036 1 576 . 1 1 63 63 GLY H H 1 7.816 0.02 . 1 . . . A 70 GLY H . 25036 1 577 . 1 1 63 63 GLY HA2 H 1 4.073 0.02 . 2 . . . A 70 GLY HA2 . 25036 1 578 . 1 1 63 63 GLY HA3 H 1 3.888 0.02 . 2 . . . A 70 GLY HA3 . 25036 1 579 . 1 1 63 63 GLY CA C 13 45.944 5.00 . 1 . . . A 70 GLY CA . 25036 1 580 . 1 1 63 63 GLY N N 15 106.967 0.20 . 1 . . . A 70 GLY N . 25036 1 581 . 1 1 64 64 VAL H H 1 7.034 0.02 . 1 . . . A 71 VAL H . 25036 1 582 . 1 1 64 64 VAL HA H 1 3.873 0.02 . 1 . . . A 71 VAL HA . 25036 1 583 . 1 1 64 64 VAL HB H 1 1.594 0.02 . 1 . . . A 71 VAL HB . 25036 1 584 . 1 1 64 64 VAL HG11 H 1 0.902 0.02 . 2 . . . A 71 VAL HG11 . 25036 1 585 . 1 1 64 64 VAL HG12 H 1 0.902 0.02 . 2 . . . A 71 VAL HG12 . 25036 1 586 . 1 1 64 64 VAL HG13 H 1 0.902 0.02 . 2 . . . A 71 VAL HG13 . 25036 1 587 . 1 1 64 64 VAL HG21 H 1 0.680 0.02 . 2 . . . A 71 VAL HG21 . 25036 1 588 . 1 1 64 64 VAL HG22 H 1 0.680 0.02 . 2 . . . A 71 VAL HG22 . 25036 1 589 . 1 1 64 64 VAL HG23 H 1 0.680 0.02 . 2 . . . A 71 VAL HG23 . 25036 1 590 . 1 1 64 64 VAL CA C 13 63.074 5.00 . 1 . . . A 71 VAL CA . 25036 1 591 . 1 1 64 64 VAL CB C 13 31.801 5.00 . 1 . . . A 71 VAL CB . 25036 1 592 . 1 1 64 64 VAL CG1 C 13 22.231 5.00 . 2 . . . A 71 VAL CG1 . 25036 1 593 . 1 1 64 64 VAL N N 15 119.365 0.20 . 1 . . . A 71 VAL N . 25036 1 594 . 1 1 65 65 ALA H H 1 8.594 0.02 . 1 . . . A 72 ALA H . 25036 1 595 . 1 1 65 65 ALA HA H 1 4.703 0.02 . 1 . . . A 72 ALA HA . 25036 1 596 . 1 1 65 65 ALA HB1 H 1 1.412 0.02 . 1 . . . A 72 ALA HB1 . 25036 1 597 . 1 1 65 65 ALA HB2 H 1 1.412 0.02 . 1 . . . A 72 ALA HB2 . 25036 1 598 . 1 1 65 65 ALA HB3 H 1 1.412 0.02 . 1 . . . A 72 ALA HB3 . 25036 1 599 . 1 1 65 65 ALA CA C 13 49.827 5.00 . 1 . . . A 72 ALA CA . 25036 1 600 . 1 1 65 65 ALA CB C 13 22.622 5.00 . 1 . . . A 72 ALA CB . 25036 1 601 . 1 1 65 65 ALA N N 15 130.355 0.20 . 1 . . . A 72 ALA N . 25036 1 602 . 1 1 66 66 ASP H H 1 8.345 0.02 . 1 . . . A 73 ASP H . 25036 1 603 . 1 1 66 66 ASP HA H 1 4.413 0.02 . 1 . . . A 73 ASP HA . 25036 1 604 . 1 1 66 66 ASP HB2 H 1 2.663 0.02 . 1 . . . A 73 ASP HB2 . 25036 1 605 . 1 1 66 66 ASP HB3 H 1 2.663 0.02 . 1 . . . A 73 ASP HB3 . 25036 1 606 . 1 1 66 66 ASP CA C 13 56.113 5.00 . 1 . . . A 73 ASP CA . 25036 1 607 . 1 1 66 66 ASP CB C 13 42.038 5.00 . 1 . . . A 73 ASP CB . 25036 1 608 . 1 1 66 66 ASP N N 15 117.729 0.20 . 1 . . . A 73 ASP N . 25036 1 609 . 1 1 67 67 GLY H H 1 9.551 0.02 . 1 . . . A 74 GLY H . 25036 1 610 . 1 1 67 67 GLY HA2 H 1 4.373 0.02 . 2 . . . A 74 GLY HA2 . 25036 1 611 . 1 1 67 67 GLY HA3 H 1 3.599 0.02 . 2 . . . A 74 GLY HA3 . 25036 1 612 . 1 1 67 67 GLY CA C 13 44.919 5.00 . 1 . . . A 74 GLY CA . 25036 1 613 . 1 1 67 67 GLY N N 15 115.397 0.20 . 1 . . . A 74 GLY N . 25036 1 614 . 1 1 68 68 ASP H H 1 8.188 0.02 . 1 . . . A 75 ASP H . 25036 1 615 . 1 1 68 68 ASP HA H 1 4.722 0.02 . 1 . . . A 75 ASP HA . 25036 1 616 . 1 1 68 68 ASP HB2 H 1 3.239 0.02 . 2 . . . A 75 ASP HB2 . 25036 1 617 . 1 1 68 68 ASP HB3 H 1 2.821 0.02 . 2 . . . A 75 ASP HB3 . 25036 1 618 . 1 1 68 68 ASP CA C 13 55.163 5.00 . 1 . . . A 75 ASP CA . 25036 1 619 . 1 1 68 68 ASP CB C 13 42.864 5.00 . 1 . . . A 75 ASP CB . 25036 1 620 . 1 1 68 68 ASP N N 15 121.472 0.20 . 1 . . . A 75 ASP N . 25036 1 621 . 1 1 69 69 LYS H H 1 8.275 0.02 . 1 . . . A 76 LYS H . 25036 1 622 . 1 1 69 69 LYS HA H 1 5.596 0.02 . 1 . . . A 76 LYS HA . 25036 1 623 . 1 1 69 69 LYS HB2 H 1 1.722 0.02 . 2 . . . A 76 LYS HB2 . 25036 1 624 . 1 1 69 69 LYS HB3 H 1 1.722 0.02 . 2 . . . A 76 LYS HB3 . 25036 1 625 . 1 1 69 69 LYS HG2 H 1 1.508 0.02 . 2 . . . A 76 LYS HG2 . 25036 1 626 . 1 1 69 69 LYS HG3 H 1 1.345 0.02 . 2 . . . A 76 LYS HG3 . 25036 1 627 . 1 1 69 69 LYS HE2 H 1 2.946 0.02 . 2 . . . A 76 LYS HE2 . 25036 1 628 . 1 1 69 69 LYS HE3 H 1 2.946 0.02 . 2 . . . A 76 LYS HE3 . 25036 1 629 . 1 1 69 69 LYS CA C 13 54.551 5.00 . 1 . . . A 76 LYS CA . 25036 1 630 . 1 1 69 69 LYS CB C 13 35.494 5.00 . 1 . . . A 76 LYS CB . 25036 1 631 . 1 1 69 69 LYS CG C 13 24.648 5.00 . 1 . . . A 76 LYS CG . 25036 1 632 . 1 1 69 69 LYS CD C 13 29.396 5.00 . 1 . . . A 76 LYS CD . 25036 1 633 . 1 1 69 69 LYS CE C 13 41.577 5.00 . 1 . . . A 76 LYS CE . 25036 1 634 . 1 1 69 69 LYS N N 15 115.622 0.20 . 1 . . . A 76 LYS N . 25036 1 635 . 1 1 70 70 PHE H H 1 9.409 0.02 . 1 . . . A 77 PHE H . 25036 1 636 . 1 1 70 70 PHE HA H 1 5.370 0.02 . 1 . . . A 77 PHE HA . 25036 1 637 . 1 1 70 70 PHE HB2 H 1 3.017 0.02 . 2 . . . A 77 PHE HB2 . 25036 1 638 . 1 1 70 70 PHE HB3 H 1 3.017 0.02 . 2 . . . A 77 PHE HB3 . 25036 1 639 . 1 1 70 70 PHE CA C 13 55.184 5.00 . 1 . . . A 77 PHE CA . 25036 1 640 . 1 1 70 70 PHE CB C 13 42.260 5.00 . 1 . . . A 77 PHE CB . 25036 1 641 . 1 1 70 70 PHE N N 15 122.784 0.20 . 1 . . . A 77 PHE N . 25036 1 642 . 1 1 71 71 VAL H H 1 8.598 0.02 . 1 . . . A 78 VAL H . 25036 1 643 . 1 1 71 71 VAL HA H 1 4.842 0.02 . 1 . . . A 78 VAL HA . 25036 1 644 . 1 1 71 71 VAL HB H 1 2.137 0.02 . 1 . . . A 78 VAL HB . 25036 1 645 . 1 1 71 71 VAL HG11 H 1 0.897 0.02 . 2 . . . A 78 VAL HG11 . 25036 1 646 . 1 1 71 71 VAL HG12 H 1 0.897 0.02 . 2 . . . A 78 VAL HG12 . 25036 1 647 . 1 1 71 71 VAL HG13 H 1 0.897 0.02 . 2 . . . A 78 VAL HG13 . 25036 1 648 . 1 1 71 71 VAL HG21 H 1 0.897 0.02 . 2 . . . A 78 VAL HG21 . 25036 1 649 . 1 1 71 71 VAL HG22 H 1 0.897 0.02 . 2 . . . A 78 VAL HG22 . 25036 1 650 . 1 1 71 71 VAL HG23 H 1 0.897 0.02 . 2 . . . A 78 VAL HG23 . 25036 1 651 . 1 1 71 71 VAL CA C 13 61.336 5.00 . 1 . . . A 78 VAL CA . 25036 1 652 . 1 1 71 71 VAL CB C 13 32.072 5.00 . 1 . . . A 78 VAL CB . 25036 1 653 . 1 1 71 71 VAL CG1 C 13 21.184 5.00 . 2 . . . A 78 VAL CG1 . 25036 1 654 . 1 1 71 71 VAL N N 15 122.474 0.20 . 1 . . . A 78 VAL N . 25036 1 655 . 1 1 72 72 LEU H H 1 8.432 0.02 . 1 . . . A 79 LEU H . 25036 1 656 . 1 1 72 72 LEU HA H 1 4.937 0.02 . 1 . . . A 79 LEU HA . 25036 1 657 . 1 1 72 72 LEU HB2 H 1 1.604 0.02 . 1 . . . A 79 LEU HB2 . 25036 1 658 . 1 1 72 72 LEU HB3 H 1 1.097 0.02 . 1 . . . A 79 LEU HB3 . 25036 1 659 . 1 1 72 72 LEU HD11 H 1 0.701 0.02 . 2 . . . A 79 LEU HD11 . 25036 1 660 . 1 1 72 72 LEU HD12 H 1 0.701 0.02 . 2 . . . A 79 LEU HD12 . 25036 1 661 . 1 1 72 72 LEU HD13 H 1 0.701 0.02 . 2 . . . A 79 LEU HD13 . 25036 1 662 . 1 1 72 72 LEU HD21 H 1 0.701 0.02 . 2 . . . A 79 LEU HD21 . 25036 1 663 . 1 1 72 72 LEU HD22 H 1 0.701 0.02 . 2 . . . A 79 LEU HD22 . 25036 1 664 . 1 1 72 72 LEU HD23 H 1 0.701 0.02 . 2 . . . A 79 LEU HD23 . 25036 1 665 . 1 1 72 72 LEU CA C 13 53.788 5.00 . 1 . . . A 79 LEU CA . 25036 1 666 . 1 1 72 72 LEU CB C 13 45.032 5.00 . 1 . . . A 79 LEU CB . 25036 1 667 . 1 1 72 72 LEU CD1 C 13 25.213 5.00 . 2 . . . A 79 LEU CD1 . 25036 1 668 . 1 1 72 72 LEU CD2 C 13 25.213 5.00 . 2 . . . A 79 LEU CD2 . 25036 1 669 . 1 1 72 72 LEU N N 15 128.361 0.20 . 1 . . . A 79 LEU N . 25036 1 670 . 1 1 73 73 ILE H H 1 9.228 0.02 . 1 . . . A 80 ILE H . 25036 1 671 . 1 1 73 73 ILE HA H 1 4.179 0.02 . 1 . . . A 80 ILE HA . 25036 1 672 . 1 1 73 73 ILE HB H 1 1.700 0.02 . 1 . . . A 80 ILE HB . 25036 1 673 . 1 1 73 73 ILE HG12 H 1 1.429 0.02 . 1 . . . A 80 ILE HG12 . 25036 1 674 . 1 1 73 73 ILE HG21 H 1 0.881 0.02 . 1 . . . A 80 ILE HG21 . 25036 1 675 . 1 1 73 73 ILE HG22 H 1 0.881 0.02 . 1 . . . A 80 ILE HG22 . 25036 1 676 . 1 1 73 73 ILE HG23 H 1 0.881 0.02 . 1 . . . A 80 ILE HG23 . 25036 1 677 . 1 1 73 73 ILE CA C 13 60.278 5.00 . 1 . . . A 80 ILE CA . 25036 1 678 . 1 1 73 73 ILE CB C 13 40.469 5.00 . 1 . . . A 80 ILE CB . 25036 1 679 . 1 1 73 73 ILE CG2 C 13 17.358 5.00 . 1 . . . A 80 ILE CG2 . 25036 1 680 . 1 1 73 73 ILE CD1 C 13 13.126 5.00 . 1 . . . A 80 ILE CD1 . 25036 1 681 . 1 1 73 73 ILE N N 15 129.558 0.20 . 1 . . . A 80 ILE N . 25036 1 682 . 1 1 74 74 THR H H 1 8.511 0.02 . 1 . . . A 81 THR H . 25036 1 683 . 1 1 74 74 THR HA H 1 5.017 0.02 . 1 . . . A 81 THR HA . 25036 1 684 . 1 1 74 74 THR HB H 1 4.184 0.02 . 1 . . . A 81 THR HB . 25036 1 685 . 1 1 74 74 THR HG21 H 1 1.171 0.02 . 1 . . . A 81 THR HG21 . 25036 1 686 . 1 1 74 74 THR HG22 H 1 1.171 0.02 . 1 . . . A 81 THR HG22 . 25036 1 687 . 1 1 74 74 THR HG23 H 1 1.171 0.02 . 1 . . . A 81 THR HG23 . 25036 1 688 . 1 1 74 74 THR CA C 13 59.923 5.00 . 1 . . . A 81 THR CA . 25036 1 689 . 1 1 74 74 THR CB C 13 70.332 5.00 . 1 . . . A 81 THR CB . 25036 1 690 . 1 1 74 74 THR CG2 C 13 21.179 5.00 . 1 . . . A 81 THR CG2 . 25036 1 691 . 1 1 74 74 THR N N 15 118.269 0.20 . 1 . . . A 81 THR N . 25036 1 692 . 1 1 75 75 ARG H H 1 8.319 0.02 . 1 . . . A 82 ARG H . 25036 1 693 . 1 1 75 75 ARG HA H 1 4.474 0.02 . 1 . . . A 82 ARG HA . 25036 1 694 . 1 1 75 75 ARG HB2 H 1 1.801 0.02 . 2 . . . A 82 ARG HB2 . 25036 1 695 . 1 1 75 75 ARG HB3 H 1 1.801 0.02 . 2 . . . A 82 ARG HB3 . 25036 1 696 . 1 1 75 75 ARG HG2 H 1 1.613 0.02 . 2 . . . A 82 ARG HG2 . 25036 1 697 . 1 1 75 75 ARG HG3 H 1 1.613 0.02 . 2 . . . A 82 ARG HG3 . 25036 1 698 . 1 1 75 75 ARG HD2 H 1 3.179 0.02 . 2 . . . A 82 ARG HD2 . 25036 1 699 . 1 1 75 75 ARG HD3 H 1 3.179 0.02 . 2 . . . A 82 ARG HD3 . 25036 1 700 . 1 1 75 75 ARG CA C 13 55.763 5.00 . 1 . . . A 82 ARG CA . 25036 1 701 . 1 1 75 75 ARG CB C 13 31.216 5.00 . 1 . . . A 82 ARG CB . 25036 1 702 . 1 1 75 75 ARG CG C 13 26.899 5.00 . 1 . . . A 82 ARG CG . 25036 1 703 . 1 1 75 75 ARG CD C 13 43.269 5.00 . 1 . . . A 82 ARG CD . 25036 1 704 . 1 1 75 75 ARG N N 15 123.173 0.20 . 1 . . . A 82 ARG N . 25036 1 705 . 1 1 76 76 THR H H 1 8.497 0.02 . 1 . . . A 83 THR H . 25036 1 706 . 1 1 76 76 THR HA H 1 4.396 0.02 . 1 . . . A 83 THR HA . 25036 1 707 . 1 1 76 76 THR HB H 1 5.252 0.02 . 1 . . . A 83 THR HB . 25036 1 708 . 1 1 76 76 THR HG21 H 1 1.207 0.02 . 1 . . . A 83 THR HG21 . 25036 1 709 . 1 1 76 76 THR HG22 H 1 1.207 0.02 . 1 . . . A 83 THR HG22 . 25036 1 710 . 1 1 76 76 THR HG23 H 1 1.207 0.02 . 1 . . . A 83 THR HG23 . 25036 1 711 . 1 1 76 76 THR CA C 13 61.720 5.00 . 1 . . . A 83 THR CA . 25036 1 712 . 1 1 76 76 THR CB C 13 69.847 5.00 . 1 . . . A 83 THR CB . 25036 1 713 . 1 1 76 76 THR CG2 C 13 21.115 5.00 . 1 . . . A 83 THR CG2 . 25036 1 714 . 1 1 76 76 THR N N 15 117.798 0.20 . 1 . . . A 83 THR N . 25036 1 715 . 1 1 77 77 VAL H H 1 8.394 0.02 . 1 . . . A 84 VAL H . 25036 1 716 . 1 1 77 77 VAL HA H 1 4.167 0.02 . 1 . . . A 84 VAL HA . 25036 1 717 . 1 1 77 77 VAL HB H 1 2.086 0.02 . 1 . . . A 84 VAL HB . 25036 1 718 . 1 1 77 77 VAL HG11 H 1 0.947 0.02 . 2 . . . A 84 VAL HG11 . 25036 1 719 . 1 1 77 77 VAL HG12 H 1 0.947 0.02 . 2 . . . A 84 VAL HG12 . 25036 1 720 . 1 1 77 77 VAL HG13 H 1 0.947 0.02 . 2 . . . A 84 VAL HG13 . 25036 1 721 . 1 1 77 77 VAL HG21 H 1 0.947 0.02 . 2 . . . A 84 VAL HG21 . 25036 1 722 . 1 1 77 77 VAL HG22 H 1 0.947 0.02 . 2 . . . A 84 VAL HG22 . 25036 1 723 . 1 1 77 77 VAL HG23 H 1 0.947 0.02 . 2 . . . A 84 VAL HG23 . 25036 1 724 . 1 1 77 77 VAL CA C 13 62.272 5.00 . 1 . . . A 84 VAL CA . 25036 1 725 . 1 1 77 77 VAL CB C 13 32.797 5.00 . 1 . . . A 84 VAL CB . 25036 1 726 . 1 1 77 77 VAL CG1 C 13 20.972 5.00 . 2 . . . A 84 VAL CG1 . 25036 1 727 . 1 1 77 77 VAL CG2 C 13 20.972 5.00 . 2 . . . A 84 VAL CG2 . 25036 1 728 . 1 1 77 77 VAL N N 15 123.015 0.20 . 1 . . . A 84 VAL N . 25036 1 729 . 1 1 78 78 GLY H H 1 8.613 0.02 . 1 . . . A 85 GLY H . 25036 1 730 . 1 1 78 78 GLY HA2 H 1 4.297 0.02 . 2 . . . A 85 GLY HA2 . 25036 1 731 . 1 1 78 78 GLY CA C 13 45.166 5.00 . 1 . . . A 85 GLY CA . 25036 1 732 . 1 1 78 78 GLY N N 15 112.949 0.20 . 1 . . . A 85 GLY N . 25036 1 733 . 1 1 79 79 GLY H H 1 8.494 0.02 . 1 . . . . 86 GLY NH . 25036 1 734 . 1 1 79 79 GLY HA2 H 1 4.011 0.02 . 2 . . . . 86 GLY HA . 25036 1 735 . 1 1 79 79 GLY HA3 H 1 4.011 0.02 . 2 . . . . 86 GLY HA . 25036 1 736 . 1 1 79 79 GLY CA C 13 45.238 5.00 . 1 . . . . 86 GLY CA . 25036 1 737 . 1 1 79 79 GLY N N 15 108.268 0.20 . 1 . . . . 86 GLY N . 25036 1 738 . 1 1 80 80 CYS H H 1 8.482 0.02 . 1 . . . . 87 CYS NH . 25036 1 739 . 1 1 80 80 CYS HA H 1 4.559 0.02 . 1 . . . . 87 CYS HA . 25036 1 740 . 1 1 80 80 CYS HB2 H 1 2.965 0.02 . 2 . . . . 87 CYS HB . 25036 1 741 . 1 1 80 80 CYS HB3 H 1 2.965 0.02 . 2 . . . . 87 CYS HB . 25036 1 742 . 1 1 80 80 CYS CA C 13 58.491 5.00 . 1 . . . . 87 CYS CA . 25036 1 743 . 1 1 80 80 CYS CB C 13 28.229 5.00 . 1 . . . . 87 CYS CB . 25036 1 744 . 1 1 80 80 CYS N N 15 118.687 0.20 . 1 . . . . 87 CYS N . 25036 1 745 . 1 1 81 81 GLY H H 1 8.594 0.02 . 1 . . . . 88 GLY NH . 25036 1 746 . 1 1 81 81 GLY HA2 H 1 3.933 0.02 . 2 . . . . 88 GLY HA . 25036 1 747 . 1 1 81 81 GLY HA3 H 1 3.933 0.02 . 2 . . . . 88 GLY HA . 25036 1 748 . 1 1 81 81 GLY CA C 13 45.092 5.00 . 1 . . . . 88 GLY CA . 25036 1 749 . 1 1 81 81 GLY N N 15 111.528 0.20 . 1 . . . . 88 GLY N . 25036 1 750 . 1 1 82 82 GLU H H 1 7.974 0.02 . 1 . . . . 89 GLU NH . 25036 1 751 . 1 1 82 82 GLU CA C 13 54.258 5.00 . 1 . . . . 89 GLU CA . 25036 1 752 . 1 1 82 82 GLU CB C 13 30.604 5.00 . 1 . . . . 89 GLU CB . 25036 1 753 . 1 1 82 82 GLU N N 15 119.482 0.20 . 1 . . . . 89 GLU N . 25036 1 754 . 1 1 83 83 PRO HA H 1 4.439 0.02 . 1 . . . . 90 PRO HA . 25036 1 755 . 1 1 83 83 PRO HB2 H 1 2.282 0.02 . 2 . . . . 90 PRO HB . 25036 1 756 . 1 1 83 83 PRO HB3 H 1 2.282 0.02 . 2 . . . . 90 PRO HB . 25036 1 757 . 1 1 83 83 PRO HG3 H 1 1.828 0.02 . 2 . . . . 90 PRO HG3 . 25036 1 758 . 1 1 83 83 PRO HD2 H 1 3.794 0.02 . 2 . . . . 90 PRO HD2 . 25036 1 759 . 1 1 83 83 PRO HD3 H 1 3.677 0.02 . 2 . . . . 90 PRO HD3 . 25036 1 760 . 1 1 83 83 PRO CA C 13 62.733 5.00 . 1 . . . . 90 PRO CA . 25036 1 761 . 1 1 83 83 PRO CB C 13 31.958 5.00 . 1 . . . . 90 PRO CB . 25036 1 762 . 1 1 83 83 PRO CG C 13 27.189 5.00 . 1 . . . . 90 PRO CG . 25036 1 763 . 1 1 83 83 PRO CD C 13 50.192 5.00 . 1 . . . . 90 PRO CD . 25036 1 764 . 1 1 84 84 ILE H H 1 8.298 0.02 . 1 . . . . 91 ILE NH . 25036 1 765 . 1 1 84 84 ILE HA H 1 4.072 0.02 . 1 . . . . 91 ILE HA . 25036 1 766 . 1 1 84 84 ILE HB H 1 1.792 0.02 . 1 . . . . 91 ILE HB . 25036 1 767 . 1 1 84 84 ILE CA C 13 61.101 5.00 . 1 . . . . 91 ILE CA . 25036 1 768 . 1 1 84 84 ILE CB C 13 38.380 5.00 . 1 . . . . 91 ILE CB . 25036 1 769 . 1 1 84 84 ILE CG2 C 13 16.997 5.00 . 1 . . . . 91 ILE CG2 . 25036 1 770 . 1 1 84 84 ILE CD1 C 13 12.049 5.00 . 1 . . . . 91 ILE CD . 25036 1 771 . 1 1 84 84 ILE N N 15 121.704 0.20 . 1 . . . . 91 ILE N . 25036 1 772 . 1 1 85 85 ARG H H 1 8.492 0.02 . 1 . . . . 92 ARG NH . 25036 1 773 . 1 1 85 85 ARG HA H 1 4.368 0.02 . 1 . . . . 92 ARG HA . 25036 1 774 . 1 1 85 85 ARG HB2 H 1 1.780 0.02 . 2 . . . . 92 ARG HB . 25036 1 775 . 1 1 85 85 ARG HB3 H 1 1.780 0.02 . 2 . . . . 92 ARG HB . 25036 1 776 . 1 1 85 85 ARG CA C 13 55.676 5.00 . 1 . . . . 92 ARG CA . 25036 1 777 . 1 1 85 85 ARG CB C 13 30.855 5.00 . 1 . . . . 92 ARG CB . 25036 1 778 . 1 1 85 85 ARG CG C 13 26.894 5.00 . 1 . . . . 92 ARG CG . 25036 1 779 . 1 1 85 85 ARG CD C 13 43.126 5.00 . 1 . . . . 92 ARG CD . 25036 1 780 . 1 1 85 85 ARG N N 15 126.325 0.20 . 1 . . . . 92 ARG N . 25036 1 781 . 1 1 86 86 ARG H H 1 8.496 0.02 . 1 . . . . 93 ARG NH . 25036 1 782 . 1 1 86 86 ARG HA H 1 4.330 0.02 . 1 . . . . 93 ARG HA . 25036 1 783 . 1 1 86 86 ARG CA C 13 55.738 5.00 . 1 . . . . 93 ARG CA . 25036 1 784 . 1 1 86 86 ARG CB C 13 30.972 5.00 . 1 . . . . 93 ARG CB . 25036 1 785 . 1 1 86 86 ARG CG C 13 26.839 5.00 . 1 . . . . 93 ARG CG . 25036 1 786 . 1 1 86 86 ARG CD C 13 43.141 5.00 . 1 . . . . 93 ARG CD . 25036 1 787 . 1 1 86 86 ARG N N 15 123.839 0.20 . 1 . . . . 93 ARG N . 25036 1 788 . 1 1 87 87 ALA H H 1 8.479 0.02 . 1 . . . . 94 ALA NH . 25036 1 789 . 1 1 87 87 ALA HA H 1 4.304 0.02 . 1 . . . . 94 ALA HA . 25036 1 790 . 1 1 87 87 ALA CA C 13 52.150 5.00 . 1 . . . . 94 ALA CA . 25036 1 791 . 1 1 87 87 ALA CB C 13 19.168 5.00 . 1 . . . . 94 ALA CB . 25036 1 792 . 1 1 87 87 ALA N N 15 126.719 0.20 . 1 . . . . 94 ALA N . 25036 1 793 . 1 1 88 88 ALA H H 1 8.008 0.02 . 1 . . . . 95 ALA NH . 25036 1 794 . 1 1 88 88 ALA CA C 13 53.841 5.00 . 1 . . . . 95 ALA CA . 25036 1 795 . 1 1 88 88 ALA CB C 13 19.842 5.00 . 1 . . . . 95 ALA CB . 25036 1 796 . 1 1 88 88 ALA N N 15 129.249 0.20 . 1 . . . . 95 ALA N . 25036 1 stop_ save_