data_19942 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19942 _Entry.Title ; Solution structure of the terminal Ig-like domain from Leptospira interrogans LigB ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-04-25 _Entry.Accession_date 2014-04-25 _Entry.Last_release_date 2014-08-26 _Entry.Original_release_date 2014-08-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Christopher Ptak . P. . 19942 2 Ching-Lin Hsieh . . . 19942 3 Yi-Pin Lin . . . 19942 4 Alexander Maltsev . S. . 19942 5 Rajeev Raman . . . 19942 6 Yogendra Sharma . . . 19942 7 Robert Oswald . E. . 19942 8 Yung-Fu Chang . . . 19942 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' . 19942 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PROTEIN . 19942 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19942 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 561 19942 '13C chemical shifts' 368 19942 '15N chemical shifts' 91 19942 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 . . 2014-08-26 2014-04-25 original author . 19942 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MOG 'BMRB Entry Tracking System' 19942 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19942 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25068811 _Citation.Full_citation . _Citation.Title 'The NMR solution structure of the terminal immunoglobulin-like domain from the Leptospira host-interacting outer membrane protein, LigB' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 53 _Citation.Journal_issue 32 _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 5249 _Citation.Page_last 5260 _Citation.Year 2014 _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 Christopher Ptak . P. . 19942 1 2 Ching-Lin Hsieh . . . 19942 1 3 Yi-Pin Lin . . . 19942 1 4 Alexander Maltsev . S. . 19942 1 5 Rajeev Raman . . . 19942 1 6 Yogendra Sharma . . . 19942 1 7 Robert Oswald . E. . 19942 1 8 Yung-Fu Chang . . . 19942 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19942 _Assembly.ID 1 _Assembly.Name 'terminal Ig-like domain from Leptospira interrogans LigB' _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 entity 1 $entity A . yes native no no . . . 19942 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19942 _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 ; SAATLSSISISPINTNINTT VSKQFFAVGTYSDGTKADLT SSVTWSSSNQSQAKVSNASE TKGLVTGIASGNPTIIATYG SVSGNTILTVNKTDT ; _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 95 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment '12th Ig-like domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9641.579 _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 yes NCBI ACH89908.1 . LigB . . . . . . . . . . . . . . 19942 1 2 no BMRB 25032 . entity . . . . . 100.00 102 100.00 100.00 2.50e-55 . . . . 19942 1 3 no PDB 2MOG . "Solution Structure Of The Terminal Ig-like Domain From Leptospira Interrogans Ligb" . . . . . 100.00 95 100.00 100.00 1.92e-55 . . . . 19942 1 4 no PDB 2MQG . "Solution Structure Of A Bacterial Immunoglobulin-like Domain Form A Surface Protein Of Leptospira" . . . . . 100.00 102 100.00 100.00 2.50e-55 . . . . 19942 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 . SER . 19942 1 2 . ALA . 19942 1 3 . ALA . 19942 1 4 . THR . 19942 1 5 . LEU . 19942 1 6 . SER . 19942 1 7 . SER . 19942 1 8 . ILE . 19942 1 9 . SER . 19942 1 10 . ILE . 19942 1 11 . SER . 19942 1 12 . PRO . 19942 1 13 . ILE . 19942 1 14 . ASN . 19942 1 15 . THR . 19942 1 16 . ASN . 19942 1 17 . ILE . 19942 1 18 . ASN . 19942 1 19 . THR . 19942 1 20 . THR . 19942 1 21 . VAL . 19942 1 22 . SER . 19942 1 23 . LYS . 19942 1 24 . GLN . 19942 1 25 . PHE . 19942 1 26 . PHE . 19942 1 27 . ALA . 19942 1 28 . VAL . 19942 1 29 . GLY . 19942 1 30 . THR . 19942 1 31 . TYR . 19942 1 32 . SER . 19942 1 33 . ASP . 19942 1 34 . GLY . 19942 1 35 . THR . 19942 1 36 . LYS . 19942 1 37 . ALA . 19942 1 38 . ASP . 19942 1 39 . LEU . 19942 1 40 . THR . 19942 1 41 . SER . 19942 1 42 . SER . 19942 1 43 . VAL . 19942 1 44 . THR . 19942 1 45 . TRP . 19942 1 46 . SER . 19942 1 47 . SER . 19942 1 48 . SER . 19942 1 49 . ASN . 19942 1 50 . GLN . 19942 1 51 . SER . 19942 1 52 . GLN . 19942 1 53 . ALA . 19942 1 54 . LYS . 19942 1 55 . VAL . 19942 1 56 . SER . 19942 1 57 . ASN . 19942 1 58 . ALA . 19942 1 59 . SER . 19942 1 60 . GLU . 19942 1 61 . THR . 19942 1 62 . LYS . 19942 1 63 . GLY . 19942 1 64 . LEU . 19942 1 65 . VAL . 19942 1 66 . THR . 19942 1 67 . GLY . 19942 1 68 . ILE . 19942 1 69 . ALA . 19942 1 70 . SER . 19942 1 71 . GLY . 19942 1 72 . ASN . 19942 1 73 . PRO . 19942 1 74 . THR . 19942 1 75 . ILE . 19942 1 76 . ILE . 19942 1 77 . ALA . 19942 1 78 . THR . 19942 1 79 . TYR . 19942 1 80 . GLY . 19942 1 81 . SER . 19942 1 82 . VAL . 19942 1 83 . SER . 19942 1 84 . GLY . 19942 1 85 . ASN . 19942 1 86 . THR . 19942 1 87 . ILE . 19942 1 88 . LEU . 19942 1 89 . THR . 19942 1 90 . VAL . 19942 1 91 . ASN . 19942 1 92 . LYS . 19942 1 93 . THR . 19942 1 94 . ASP . 19942 1 95 . THR . 19942 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 . SER 1 1 19942 1 . ALA 2 2 19942 1 . ALA 3 3 19942 1 . THR 4 4 19942 1 . LEU 5 5 19942 1 . SER 6 6 19942 1 . SER 7 7 19942 1 . ILE 8 8 19942 1 . SER 9 9 19942 1 . ILE 10 10 19942 1 . SER 11 11 19942 1 . PRO 12 12 19942 1 . ILE 13 13 19942 1 . ASN 14 14 19942 1 . THR 15 15 19942 1 . ASN 16 16 19942 1 . ILE 17 17 19942 1 . ASN 18 18 19942 1 . THR 19 19 19942 1 . THR 20 20 19942 1 . VAL 21 21 19942 1 . SER 22 22 19942 1 . LYS 23 23 19942 1 . GLN 24 24 19942 1 . PHE 25 25 19942 1 . PHE 26 26 19942 1 . ALA 27 27 19942 1 . VAL 28 28 19942 1 . GLY 29 29 19942 1 . THR 30 30 19942 1 . TYR 31 31 19942 1 . SER 32 32 19942 1 . ASP 33 33 19942 1 . GLY 34 34 19942 1 . THR 35 35 19942 1 . LYS 36 36 19942 1 . ALA 37 37 19942 1 . ASP 38 38 19942 1 . LEU 39 39 19942 1 . THR 40 40 19942 1 . SER 41 41 19942 1 . SER 42 42 19942 1 . VAL 43 43 19942 1 . THR 44 44 19942 1 . TRP 45 45 19942 1 . SER 46 46 19942 1 . SER 47 47 19942 1 . SER 48 48 19942 1 . ASN 49 49 19942 1 . GLN 50 50 19942 1 . SER 51 51 19942 1 . GLN 52 52 19942 1 . ALA 53 53 19942 1 . LYS 54 54 19942 1 . VAL 55 55 19942 1 . SER 56 56 19942 1 . ASN 57 57 19942 1 . ALA 58 58 19942 1 . SER 59 59 19942 1 . GLU 60 60 19942 1 . THR 61 61 19942 1 . LYS 62 62 19942 1 . GLY 63 63 19942 1 . LEU 64 64 19942 1 . VAL 65 65 19942 1 . THR 66 66 19942 1 . GLY 67 67 19942 1 . ILE 68 68 19942 1 . ALA 69 69 19942 1 . SER 70 70 19942 1 . GLY 71 71 19942 1 . ASN 72 72 19942 1 . PRO 73 73 19942 1 . THR 74 74 19942 1 . ILE 75 75 19942 1 . ILE 76 76 19942 1 . ALA 77 77 19942 1 . THR 78 78 19942 1 . TYR 79 79 19942 1 . GLY 80 80 19942 1 . SER 81 81 19942 1 . VAL 82 82 19942 1 . SER 83 83 19942 1 . GLY 84 84 19942 1 . ASN 85 85 19942 1 . THR 86 86 19942 1 . ILE 87 87 19942 1 . LEU 88 88 19942 1 . THR 89 89 19942 1 . VAL 90 90 19942 1 . ASN 91 91 19942 1 . LYS 92 92 19942 1 . THR 93 93 19942 1 . ASP 94 94 19942 1 . THR 95 95 19942 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 19942 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 173 organism . 'Leptospira Interrogans' 'Leptospira Interrogans' . . Bacteria . Leptospira Interrogans . . . . . . . . . . . . . . . . . . . . . 19942 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 19942 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28-His-Sumo . . . . . . 19942 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19942 _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 Protein '[U-95% 13C; U-95% 15N]' . . 1 $entity . . 0.5 . . mM . . . . 19942 1 2 'sodium chloride' 'natural abundance' . . . . . . 137 . . mM . . . . 19942 1 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 19942 1 4 'potassium chloride' 'natural abundance' . . . . . . 2.7 . . mM . . . . 19942 1 5 'potassium phosphate' 'natural abundance' . . . . . . 1.8 . . mM . . . . 19942 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19942 _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 Protein '[U-95% 15N]' . . 1 $entity . . 0.5 . . mM . . . . 19942 2 2 'sodium chloride' 'natural abundance' . . . . . . 137 . . mM . . . . 19942 2 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 19942 2 4 'potassium chloride' 'natural abundance' . . . . . . 2.7 . . mM . . . . 19942 2 5 'potassium phosphate' 'natural abundance' . . . . . . 1.8 . . mM . . . . 19942 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 19942 _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 temperature 286 . K 19942 1 pH 7 . pH 19942 1 pressure 1 . atm 19942 1 'ionic strength' 0.15 . M 19942 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 19942 _Software.ID 1 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 19942 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19942 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 19942 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 19942 _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 Varian INOVA . 500 . . . 19942 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 19942 _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 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19942 1 2 '3D HNCOCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19942 1 3 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19942 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19942 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19942 1 6 '3D CBCANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19942 1 7 '3D HNCBCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19942 1 8 '3D CCONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19942 1 9 '3D HCCONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19942 1 10 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19942 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19942 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19942 1 13 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19942 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 19942 _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 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 19942 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 19942 _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' . . . 19942 1 2 '3D HNCOCA' . . . 19942 1 3 '3D HNCACO' . . . 19942 1 4 '3D HNCA' . . . 19942 1 5 '3D HNCO' . . . 19942 1 6 '3D CBCANH' . . . 19942 1 7 '3D HNCBCACO' . . . 19942 1 8 '3D CCONH' . . . 19942 1 9 '3D HCCONH' . . . 19942 1 10 '3D 1H-15N TOCSY' . . . 19942 1 11 '3D 1H-15N NOESY' . . . 19942 1 12 '3D 1H-13C NOESY' . . . 19942 1 13 '3D 1H-13C NOESY aromatic' . . . 19942 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 3 3 ALA H H 1 8.387 . . . . . . A 3 ALA H . 19942 1 2 . 1 1 3 3 ALA HA H 1 4.209 . . . . . . A 3 ALA HA . 19942 1 3 . 1 1 3 3 ALA HB1 H 1 1.359 . . . . . . A 3 ALA HB1 . 19942 1 4 . 1 1 3 3 ALA HB2 H 1 1.359 . . . . . . A 3 ALA HB2 . 19942 1 5 . 1 1 3 3 ALA HB3 H 1 1.359 . . . . . . A 3 ALA HB3 . 19942 1 6 . 1 1 3 3 ALA C C 13 177.476 . . . . . . A 3 ALA C . 19942 1 7 . 1 1 3 3 ALA CA C 13 52.450 . . . . . . A 3 ALA CA . 19942 1 8 . 1 1 3 3 ALA CB C 13 19.517 . . . . . . A 3 ALA CB . 19942 1 9 . 1 1 3 3 ALA N N 15 123.810 . . . . . . A 3 ALA N . 19942 1 10 . 1 1 4 4 THR H H 1 8.593 . . . . . . A 4 THR H . 19942 1 11 . 1 1 4 4 THR HA H 1 4.621 . . . . . . A 4 THR HA . 19942 1 12 . 1 1 4 4 THR HB H 1 4.178 . . . . . . A 4 THR HB . 19942 1 13 . 1 1 4 4 THR HG21 H 1 1.218 . . . . . . A 4 THR HG21 . 19942 1 14 . 1 1 4 4 THR HG22 H 1 1.218 . . . . . . A 4 THR HG22 . 19942 1 15 . 1 1 4 4 THR HG23 H 1 1.218 . . . . . . A 4 THR HG23 . 19942 1 16 . 1 1 4 4 THR C C 13 174.426 . . . . . . A 4 THR C . 19942 1 17 . 1 1 4 4 THR CA C 13 60.020 . . . . . . A 4 THR CA . 19942 1 18 . 1 1 4 4 THR CB C 13 71.041 . . . . . . A 4 THR CB . 19942 1 19 . 1 1 4 4 THR CG2 C 13 21.890 . . . . . . A 4 THR CG2 . 19942 1 20 . 1 1 4 4 THR N N 15 113.060 . . . . . . A 4 THR N . 19942 1 21 . 1 1 5 5 LEU H H 1 8.888 . . . . . . A 5 LEU H . 19942 1 22 . 1 1 5 5 LEU HA H 1 3.436 . . . . . . A 5 LEU HA . 19942 1 23 . 1 1 5 5 LEU HB2 H 1 1.103 . . . . . . A 5 LEU HB2 . 19942 1 24 . 1 1 5 5 LEU HB3 H 1 1.103 . . . . . . A 5 LEU HB3 . 19942 1 25 . 1 1 5 5 LEU HG H 1 0.686 . . . . . . A 5 LEU HG . 19942 1 26 . 1 1 5 5 LEU HD11 H 1 0.177 . . . . . . A 5 LEU HD11 . 19942 1 27 . 1 1 5 5 LEU HD12 H 1 0.177 . . . . . . A 5 LEU HD12 . 19942 1 28 . 1 1 5 5 LEU HD13 H 1 0.177 . . . . . . A 5 LEU HD13 . 19942 1 29 . 1 1 5 5 LEU C C 13 175.432 . . . . . . A 5 LEU C . 19942 1 30 . 1 1 5 5 LEU CA C 13 56.191 . . . . . . A 5 LEU CA . 19942 1 31 . 1 1 5 5 LEU CB C 13 41.259 . . . . . . A 5 LEU CB . 19942 1 32 . 1 1 5 5 LEU CG C 13 26.896 . . . . . . A 5 LEU CG . 19942 1 33 . 1 1 5 5 LEU CD1 C 13 26.376 . . . . . . A 5 LEU CD1 . 19942 1 34 . 1 1 5 5 LEU CD2 C 13 22.355 . . . . . . A 5 LEU CD2 . 19942 1 35 . 1 1 5 5 LEU N N 15 125.889 . . . . . . A 5 LEU N . 19942 1 36 . 1 1 6 6 SER H H 1 9.155 . . . . . . A 6 SER H . 19942 1 37 . 1 1 6 6 SER HA H 1 4.574 . . . . . . A 6 SER HA . 19942 1 38 . 1 1 6 6 SER HB2 H 1 3.715 . . . . . . A 6 SER HB2 . 19942 1 39 . 1 1 6 6 SER HB3 H 1 3.434 . . . . . . A 6 SER HB3 . 19942 1 40 . 1 1 6 6 SER C C 13 174.217 . . . . . . A 6 SER C . 19942 1 41 . 1 1 6 6 SER CA C 13 59.688 . . . . . . A 6 SER CA . 19942 1 42 . 1 1 6 6 SER CB C 13 64.300 . . . . . . A 6 SER CB . 19942 1 43 . 1 1 6 6 SER N N 15 123.564 . . . . . . A 6 SER N . 19942 1 44 . 1 1 7 7 SER H H 1 7.913 . . . . . . A 7 SER H . 19942 1 45 . 1 1 7 7 SER HA H 1 4.499 . . . . . . A 7 SER HA . 19942 1 46 . 1 1 7 7 SER HB2 H 1 3.789 . . . . . . A 7 SER HB2 . 19942 1 47 . 1 1 7 7 SER HB3 H 1 3.789 . . . . . . A 7 SER HB3 . 19942 1 48 . 1 1 7 7 SER C C 13 171.592 . . . . . . A 7 SER C . 19942 1 49 . 1 1 7 7 SER CA C 13 57.676 . . . . . . A 7 SER CA . 19942 1 50 . 1 1 7 7 SER CB C 13 64.795 . . . . . . A 7 SER CB . 19942 1 51 . 1 1 7 7 SER N N 15 112.212 . . . . . . A 7 SER N . 19942 1 52 . 1 1 8 8 ILE H H 1 8.628 . . . . . . A 8 ILE H . 19942 1 53 . 1 1 8 8 ILE HA H 1 4.661 . . . . . . A 8 ILE HA . 19942 1 54 . 1 1 8 8 ILE HB H 1 1.064 . . . . . . A 8 ILE HB . 19942 1 55 . 1 1 8 8 ILE HG12 H 1 1.382 . . . . . . A 8 ILE HG12 . 19942 1 56 . 1 1 8 8 ILE HG13 H 1 1.382 . . . . . . A 8 ILE HG13 . 19942 1 57 . 1 1 8 8 ILE HG21 H 1 0.822 . . . . . . A 8 ILE HG21 . 19942 1 58 . 1 1 8 8 ILE HG22 H 1 0.822 . . . . . . A 8 ILE HG22 . 19942 1 59 . 1 1 8 8 ILE HG23 H 1 0.822 . . . . . . A 8 ILE HG23 . 19942 1 60 . 1 1 8 8 ILE HD11 H 1 0.485 . . . . . . A 8 ILE HD11 . 19942 1 61 . 1 1 8 8 ILE HD12 H 1 0.485 . . . . . . A 8 ILE HD12 . 19942 1 62 . 1 1 8 8 ILE HD13 H 1 0.485 . . . . . . A 8 ILE HD13 . 19942 1 63 . 1 1 8 8 ILE C C 13 174.094 . . . . . . A 8 ILE C . 19942 1 64 . 1 1 8 8 ILE CA C 13 60.317 . . . . . . A 8 ILE CA . 19942 1 65 . 1 1 8 8 ILE CB C 13 42.926 . . . . . . A 8 ILE CB . 19942 1 66 . 1 1 8 8 ILE CG1 C 13 28.565 . . . . . . A 8 ILE CG1 . 19942 1 67 . 1 1 8 8 ILE CG2 C 13 18.163 . . . . . . A 8 ILE CG2 . 19942 1 68 . 1 1 8 8 ILE CD1 C 13 14.273 . . . . . . A 8 ILE CD1 . 19942 1 69 . 1 1 8 8 ILE N N 15 120.132 . . . . . . A 8 ILE N . 19942 1 70 . 1 1 9 9 SER H H 1 8.761 . . . . . . A 9 SER H . 19942 1 71 . 1 1 9 9 SER HA H 1 4.907 . . . . . . A 9 SER HA . 19942 1 72 . 1 1 9 9 SER HB2 H 1 3.766 . . . . . . A 9 SER HB2 . 19942 1 73 . 1 1 9 9 SER HB3 H 1 3.766 . . . . . . A 9 SER HB3 . 19942 1 74 . 1 1 9 9 SER C C 13 173.176 . . . . . . A 9 SER C . 19942 1 75 . 1 1 9 9 SER CA C 13 56.291 . . . . . . A 9 SER CA . 19942 1 76 . 1 1 9 9 SER CB C 13 65.325 . . . . . . A 9 SER CB . 19942 1 77 . 1 1 9 9 SER N N 15 120.939 . . . . . . A 9 SER N . 19942 1 78 . 1 1 10 10 ILE H H 1 8.852 . . . . . . A 10 ILE H . 19942 1 79 . 1 1 10 10 ILE HA H 1 5.477 . . . . . . A 10 ILE HA . 19942 1 80 . 1 1 10 10 ILE HB H 1 1.680 . . . . . . A 10 ILE HB . 19942 1 81 . 1 1 10 10 ILE HG12 H 1 1.285 . . . . . . A 10 ILE HG12 . 19942 1 82 . 1 1 10 10 ILE HG13 H 1 1.285 . . . . . . A 10 ILE HG13 . 19942 1 83 . 1 1 10 10 ILE HD11 H 1 0.738 . . . . . . A 10 ILE HD11 . 19942 1 84 . 1 1 10 10 ILE HD12 H 1 0.738 . . . . . . A 10 ILE HD12 . 19942 1 85 . 1 1 10 10 ILE HD13 H 1 0.738 . . . . . . A 10 ILE HD13 . 19942 1 86 . 1 1 10 10 ILE C C 13 175.259 . . . . . . A 10 ILE C . 19942 1 87 . 1 1 10 10 ILE CA C 13 59.092 . . . . . . A 10 ILE CA . 19942 1 88 . 1 1 10 10 ILE CB C 13 39.842 . . . . . . A 10 ILE CB . 19942 1 89 . 1 1 10 10 ILE CG2 C 13 19.866 . . . . . . A 10 ILE CG2 . 19942 1 90 . 1 1 10 10 ILE CD1 C 13 13.356 . . . . . . A 10 ILE CD1 . 19942 1 91 . 1 1 10 10 ILE N N 15 126.047 . . . . . . A 10 ILE N . 19942 1 92 . 1 1 11 11 SER H H 1 9.108 . . . . . . A 11 SER H . 19942 1 93 . 1 1 11 11 SER HA H 1 4.704 . . . . . . A 11 SER HA . 19942 1 94 . 1 1 11 11 SER HB2 H 1 3.790 . . . . . . A 11 SER HB2 . 19942 1 95 . 1 1 11 11 SER HB3 H 1 3.790 . . . . . . A 11 SER HB3 . 19942 1 96 . 1 1 11 11 SER C C 13 170.288 . . . . . . A 11 SER C . 19942 1 97 . 1 1 11 11 SER CA C 13 55.401 . . . . . . A 11 SER CA . 19942 1 98 . 1 1 11 11 SER CB C 13 65.248 . . . . . . A 11 SER CB . 19942 1 99 . 1 1 11 11 SER N N 15 122.938 . . . . . . A 11 SER N . 19942 1 100 . 1 1 12 12 PRO HA H 1 4.697 . . . . . . A 12 PRO HA . 19942 1 101 . 1 1 12 12 PRO HB2 H 1 2.315 . . . . . . A 12 PRO HB2 . 19942 1 102 . 1 1 12 12 PRO HB3 H 1 2.315 . . . . . . A 12 PRO HB3 . 19942 1 103 . 1 1 12 12 PRO HG2 H 1 1.935 . . . . . . A 12 PRO HG2 . 19942 1 104 . 1 1 12 12 PRO HG3 H 1 1.935 . . . . . . A 12 PRO HG3 . 19942 1 105 . 1 1 12 12 PRO HD2 H 1 3.228 . . . . . . A 12 PRO HD2 . 19942 1 106 . 1 1 12 12 PRO HD3 H 1 3.228 . . . . . . A 12 PRO HD3 . 19942 1 107 . 1 1 12 12 PRO C C 13 175.467 . . . . . . A 12 PRO C . 19942 1 108 . 1 1 12 12 PRO CA C 13 61.456 . . . . . . A 12 PRO CA . 19942 1 109 . 1 1 12 12 PRO CB C 13 34.906 . . . . . . A 12 PRO CB . 19942 1 110 . 1 1 12 12 PRO CG C 13 24.981 . . . . . . A 12 PRO CG . 19942 1 111 . 1 1 12 12 PRO CD C 13 50.315 . . . . . . A 12 PRO CD . 19942 1 112 . 1 1 13 13 ILE H H 1 8.233 . . . . . . A 13 ILE H . 19942 1 113 . 1 1 13 13 ILE HA H 1 4.351 . . . . . . A 13 ILE HA . 19942 1 114 . 1 1 13 13 ILE HB H 1 1.877 . . . . . . A 13 ILE HB . 19942 1 115 . 1 1 13 13 ILE HG12 H 1 1.023 . . . . . . A 13 ILE HG12 . 19942 1 116 . 1 1 13 13 ILE C C 13 176.535 . . . . . . A 13 ILE C . 19942 1 117 . 1 1 13 13 ILE CA C 13 61.092 . . . . . . A 13 ILE CA . 19942 1 118 . 1 1 13 13 ILE CB C 13 39.233 . . . . . . A 13 ILE CB . 19942 1 119 . 1 1 13 13 ILE N N 15 118.003 . . . . . . A 13 ILE N . 19942 1 120 . 1 1 14 14 ASN H H 1 8.501 . . . . . . A 14 ASN H . 19942 1 121 . 1 1 14 14 ASN HA H 1 4.776 . . . . . . A 14 ASN HA . 19942 1 122 . 1 1 14 14 ASN HB2 H 1 2.818 . . . . . . A 14 ASN HB2 . 19942 1 123 . 1 1 14 14 ASN HB3 H 1 1.880 . . . . . . A 14 ASN HB3 . 19942 1 124 . 1 1 14 14 ASN C C 13 175.286 . . . . . . A 14 ASN C . 19942 1 125 . 1 1 14 14 ASN CA C 13 53.586 . . . . . . A 14 ASN CA . 19942 1 126 . 1 1 14 14 ASN CB C 13 37.496 . . . . . . A 14 ASN CB . 19942 1 127 . 1 1 14 14 ASN N N 15 122.727 . . . . . . A 14 ASN N . 19942 1 128 . 1 1 15 15 THR H H 1 8.878 . . . . . . A 15 THR H . 19942 1 129 . 1 1 15 15 THR HA H 1 4.587 . . . . . . A 15 THR HA . 19942 1 130 . 1 1 15 15 THR HB H 1 4.227 . . . . . . A 15 THR HB . 19942 1 131 . 1 1 15 15 THR HG21 H 1 1.181 . . . . . . A 15 THR HG21 . 19942 1 132 . 1 1 15 15 THR HG22 H 1 1.181 . . . . . . A 15 THR HG22 . 19942 1 133 . 1 1 15 15 THR HG23 H 1 1.181 . . . . . . A 15 THR HG23 . 19942 1 134 . 1 1 15 15 THR C C 13 173.339 . . . . . . A 15 THR C . 19942 1 135 . 1 1 15 15 THR CA C 13 61.059 . . . . . . A 15 THR CA . 19942 1 136 . 1 1 15 15 THR CB C 13 69.683 . . . . . . A 15 THR CB . 19942 1 137 . 1 1 15 15 THR CG2 C 13 21.288 . . . . . . A 15 THR CG2 . 19942 1 138 . 1 1 15 15 THR N N 15 114.899 . . . . . . A 15 THR N . 19942 1 139 . 1 1 16 16 ASN H H 1 8.293 . . . . . . A 16 ASN H . 19942 1 140 . 1 1 16 16 ASN HA H 1 5.814 . . . . . . A 16 ASN HA . 19942 1 141 . 1 1 16 16 ASN HB2 H 1 2.701 . . . . . . A 16 ASN HB2 . 19942 1 142 . 1 1 16 16 ASN HB3 H 1 2.602 . . . . . . A 16 ASN HB3 . 19942 1 143 . 1 1 16 16 ASN C C 13 173.995 . . . . . . A 16 ASN C . 19942 1 144 . 1 1 16 16 ASN CA C 13 52.386 . . . . . . A 16 ASN CA . 19942 1 145 . 1 1 16 16 ASN CB C 13 41.379 . . . . . . A 16 ASN CB . 19942 1 146 . 1 1 16 16 ASN N N 15 119.994 . . . . . . A 16 ASN N . 19942 1 147 . 1 1 17 17 ILE H H 1 8.962 . . . . . . A 17 ILE H . 19942 1 148 . 1 1 17 17 ILE HA H 1 4.723 . . . . . . A 17 ILE HA . 19942 1 149 . 1 1 17 17 ILE HB H 1 1.930 . . . . . . A 17 ILE HB . 19942 1 150 . 1 1 17 17 ILE HG12 H 1 1.393 . . . . . . A 17 ILE HG12 . 19942 1 151 . 1 1 17 17 ILE HG13 H 1 1.284 . . . . . . A 17 ILE HG13 . 19942 1 152 . 1 1 17 17 ILE HG21 H 1 0.870 . . . . . . A 17 ILE HG21 . 19942 1 153 . 1 1 17 17 ILE HG22 H 1 0.870 . . . . . . A 17 ILE HG22 . 19942 1 154 . 1 1 17 17 ILE HG23 H 1 0.870 . . . . . . A 17 ILE HG23 . 19942 1 155 . 1 1 17 17 ILE HD11 H 1 0.795 . . . . . . A 17 ILE HD11 . 19942 1 156 . 1 1 17 17 ILE HD12 H 1 0.795 . . . . . . A 17 ILE HD12 . 19942 1 157 . 1 1 17 17 ILE HD13 H 1 0.795 . . . . . . A 17 ILE HD13 . 19942 1 158 . 1 1 17 17 ILE C C 13 173.556 . . . . . . A 17 ILE C . 19942 1 159 . 1 1 17 17 ILE CA C 13 59.491 . . . . . . A 17 ILE CA . 19942 1 160 . 1 1 17 17 ILE CB C 13 42.437 . . . . . . A 17 ILE CB . 19942 1 161 . 1 1 17 17 ILE CG1 C 13 25.966 . . . . . . A 17 ILE CG1 . 19942 1 162 . 1 1 17 17 ILE CG2 C 13 18.115 . . . . . . A 17 ILE CG2 . 19942 1 163 . 1 1 17 17 ILE N N 15 118.356 . . . . . . A 17 ILE N . 19942 1 164 . 1 1 18 18 ASN H H 1 8.404 . . . . . . A 18 ASN H . 19942 1 165 . 1 1 18 18 ASN HA H 1 5.539 . . . . . . A 18 ASN HA . 19942 1 166 . 1 1 18 18 ASN C C 13 176.607 . . . . . . A 18 ASN C . 19942 1 167 . 1 1 18 18 ASN CA C 13 51.292 . . . . . . A 18 ASN CA . 19942 1 168 . 1 1 18 18 ASN CB C 13 39.343 . . . . . . A 18 ASN CB . 19942 1 169 . 1 1 18 18 ASN N N 15 122.798 . . . . . . A 18 ASN N . 19942 1 170 . 1 1 19 19 THR HG21 H 1 0.892 . . . . . . A 19 THR HG21 . 19942 1 171 . 1 1 19 19 THR HG22 H 1 0.892 . . . . . . A 19 THR HG22 . 19942 1 172 . 1 1 19 19 THR HG23 H 1 0.892 . . . . . . A 19 THR HG23 . 19942 1 173 . 1 1 19 19 THR C C 13 175.737 . . . . . . A 19 THR C . 19942 1 174 . 1 1 19 19 THR CA C 13 62.695 . . . . . . A 19 THR CA . 19942 1 175 . 1 1 19 19 THR CB C 13 68.758 . . . . . . A 19 THR CB . 19942 1 176 . 1 1 19 19 THR CG2 C 13 22.574 . . . . . . A 19 THR CG2 . 19942 1 177 . 1 1 20 20 THR H H 1 8.400 . . . . . . A 20 THR H . 19942 1 178 . 1 1 20 20 THR HA H 1 4.281 . . . . . . A 20 THR HA . 19942 1 179 . 1 1 20 20 THR HB H 1 4.244 . . . . . . A 20 THR HB . 19942 1 180 . 1 1 20 20 THR C C 13 173.630 . . . . . . A 20 THR C . 19942 1 181 . 1 1 20 20 THR CA C 13 64.559 . . . . . . A 20 THR CA . 19942 1 182 . 1 1 20 20 THR CB C 13 69.925 . . . . . . A 20 THR CB . 19942 1 183 . 1 1 20 20 THR CG2 C 13 22.519 . . . . . . A 20 THR CG2 . 19942 1 184 . 1 1 20 20 THR N N 15 113.750 . . . . . . A 20 THR N . 19942 1 185 . 1 1 21 21 VAL H H 1 7.953 . . . . . . A 21 VAL H . 19942 1 186 . 1 1 21 21 VAL HA H 1 4.248 . . . . . . A 21 VAL HA . 19942 1 187 . 1 1 21 21 VAL HB H 1 2.254 . . . . . . A 21 VAL HB . 19942 1 188 . 1 1 21 21 VAL HG11 H 1 1.072 . . . . . . A 21 VAL HG11 . 19942 1 189 . 1 1 21 21 VAL HG12 H 1 1.072 . . . . . . A 21 VAL HG12 . 19942 1 190 . 1 1 21 21 VAL HG13 H 1 1.072 . . . . . . A 21 VAL HG13 . 19942 1 191 . 1 1 21 21 VAL HG21 H 1 0.980 . . . . . . A 21 VAL HG21 . 19942 1 192 . 1 1 21 21 VAL HG22 H 1 0.980 . . . . . . A 21 VAL HG22 . 19942 1 193 . 1 1 21 21 VAL HG23 H 1 0.980 . . . . . . A 21 VAL HG23 . 19942 1 194 . 1 1 21 21 VAL C C 13 175.464 . . . . . . A 21 VAL C . 19942 1 195 . 1 1 21 21 VAL CA C 13 62.273 . . . . . . A 21 VAL CA . 19942 1 196 . 1 1 21 21 VAL N N 15 124.237 . . . . . . A 21 VAL N . 19942 1 197 . 1 1 22 22 SER HA H 1 5.542 . . . . . . A 22 SER HA . 19942 1 198 . 1 1 22 22 SER HB2 H 1 3.617 . . . . . . A 22 SER HB2 . 19942 1 199 . 1 1 22 22 SER HB3 H 1 3.617 . . . . . . A 22 SER HB3 . 19942 1 200 . 1 1 22 22 SER C C 13 173.145 . . . . . . A 22 SER C . 19942 1 201 . 1 1 22 22 SER CA C 13 58.153 . . . . . . A 22 SER CA . 19942 1 202 . 1 1 22 22 SER CB C 13 64.768 . . . . . . A 22 SER CB . 19942 1 203 . 1 1 23 23 LYS H H 1 9.372 . . . . . . A 23 LYS H . 19942 1 204 . 1 1 23 23 LYS HA H 1 4.510 . . . . . . A 23 LYS HA . 19942 1 205 . 1 1 23 23 LYS HB2 H 1 1.668 . . . . . . A 23 LYS HB2 . 19942 1 206 . 1 1 23 23 LYS HB3 H 1 1.668 . . . . . . A 23 LYS HB3 . 19942 1 207 . 1 1 23 23 LYS HG2 H 1 1.289 . . . . . . A 23 LYS HG2 . 19942 1 208 . 1 1 23 23 LYS HG3 H 1 1.168 . . . . . . A 23 LYS HG3 . 19942 1 209 . 1 1 23 23 LYS HD2 H 1 1.612 . . . . . . A 23 LYS HD2 . 19942 1 210 . 1 1 23 23 LYS HD3 H 1 1.612 . . . . . . A 23 LYS HD3 . 19942 1 211 . 1 1 23 23 LYS HE2 H 1 2.905 . . . . . . A 23 LYS HE2 . 19942 1 212 . 1 1 23 23 LYS HE3 H 1 2.905 . . . . . . A 23 LYS HE3 . 19942 1 213 . 1 1 23 23 LYS C C 13 173.847 . . . . . . A 23 LYS C . 19942 1 214 . 1 1 23 23 LYS CA C 13 54.951 . . . . . . A 23 LYS CA . 19942 1 215 . 1 1 23 23 LYS CB C 13 36.916 . . . . . . A 23 LYS CB . 19942 1 216 . 1 1 23 23 LYS CG C 13 24.713 . . . . . . A 23 LYS CG . 19942 1 217 . 1 1 23 23 LYS CD C 13 29.290 . . . . . . A 23 LYS CD . 19942 1 218 . 1 1 23 23 LYS CE C 13 41.883 . . . . . . A 23 LYS CE . 19942 1 219 . 1 1 23 23 LYS N N 15 124.177 . . . . . . A 23 LYS N . 19942 1 220 . 1 1 24 24 GLN H H 1 8.742 . . . . . . A 24 GLN H . 19942 1 221 . 1 1 24 24 GLN HA H 1 3.684 . . . . . . A 24 GLN HA . 19942 1 222 . 1 1 24 24 GLN HB2 H 1 1.794 . . . . . . A 24 GLN HB2 . 19942 1 223 . 1 1 24 24 GLN HB3 H 1 1.700 . . . . . . A 24 GLN HB3 . 19942 1 224 . 1 1 24 24 GLN HG2 H 1 1.863 . . . . . . A 24 GLN HG2 . 19942 1 225 . 1 1 24 24 GLN HG3 H 1 0.751 . . . . . . A 24 GLN HG3 . 19942 1 226 . 1 1 24 24 GLN HE21 H 1 8.082 . . . . . . A 24 GLN HE21 . 19942 1 227 . 1 1 24 24 GLN HE22 H 1 7.154 . . . . . . A 24 GLN HE22 . 19942 1 228 . 1 1 24 24 GLN C C 13 173.229 . . . . . . A 24 GLN C . 19942 1 229 . 1 1 24 24 GLN CA C 13 56.128 . . . . . . A 24 GLN CA . 19942 1 230 . 1 1 24 24 GLN CB C 13 29.518 . . . . . . A 24 GLN CB . 19942 1 231 . 1 1 24 24 GLN CG C 13 33.956 . . . . . . A 24 GLN CG . 19942 1 232 . 1 1 24 24 GLN N N 15 128.777 . . . . . . A 24 GLN N . 19942 1 233 . 1 1 24 24 GLN NE2 N 15 117.151 . . . . . . A 24 GLN NE2 . 19942 1 234 . 1 1 25 25 PHE H H 1 7.728 . . . . . . A 25 PHE H . 19942 1 235 . 1 1 25 25 PHE HA H 1 5.005 . . . . . . A 25 PHE HA . 19942 1 236 . 1 1 25 25 PHE HB2 H 1 2.722 . . . . . . A 25 PHE HB2 . 19942 1 237 . 1 1 25 25 PHE HB3 H 1 2.618 . . . . . . A 25 PHE HB3 . 19942 1 238 . 1 1 25 25 PHE HD1 H 1 7.142 . . . . . . A 25 PHE HD1 . 19942 1 239 . 1 1 25 25 PHE HD2 H 1 7.142 . . . . . . A 25 PHE HD2 . 19942 1 240 . 1 1 25 25 PHE HE1 H 1 6.932 . . . . . . A 25 PHE HE1 . 19942 1 241 . 1 1 25 25 PHE HE2 H 1 6.932 . . . . . . A 25 PHE HE2 . 19942 1 242 . 1 1 25 25 PHE C C 13 174.268 . . . . . . A 25 PHE C . 19942 1 243 . 1 1 25 25 PHE CA C 13 56.358 . . . . . . A 25 PHE CA . 19942 1 244 . 1 1 25 25 PHE CB C 13 40.833 . . . . . . A 25 PHE CB . 19942 1 245 . 1 1 25 25 PHE CD1 C 13 132.429 . . . . . . A 25 PHE CD1 . 19942 1 246 . 1 1 25 25 PHE CD2 C 13 132.429 . . . . . . A 25 PHE CD2 . 19942 1 247 . 1 1 25 25 PHE CE1 C 13 129.683 . . . . . . A 25 PHE CE1 . 19942 1 248 . 1 1 25 25 PHE CE2 C 13 129.683 . . . . . . A 25 PHE CE2 . 19942 1 249 . 1 1 25 25 PHE N N 15 128.481 . . . . . . A 25 PHE N . 19942 1 250 . 1 1 26 26 PHE H H 1 9.354 . . . . . . A 26 PHE H . 19942 1 251 . 1 1 26 26 PHE HA H 1 5.527 . . . . . . A 26 PHE HA . 19942 1 252 . 1 1 26 26 PHE HB2 H 1 2.986 . . . . . . A 26 PHE HB2 . 19942 1 253 . 1 1 26 26 PHE HB3 H 1 2.685 . . . . . . A 26 PHE HB3 . 19942 1 254 . 1 1 26 26 PHE HD1 H 1 7.290 . . . . . . A 26 PHE HD1 . 19942 1 255 . 1 1 26 26 PHE HD2 H 1 7.290 . . . . . . A 26 PHE HD2 . 19942 1 256 . 1 1 26 26 PHE HE1 H 1 7.135 . . . . . . A 26 PHE HE1 . 19942 1 257 . 1 1 26 26 PHE HE2 H 1 7.135 . . . . . . A 26 PHE HE2 . 19942 1 258 . 1 1 26 26 PHE C C 13 175.679 . . . . . . A 26 PHE C . 19942 1 259 . 1 1 26 26 PHE CA C 13 56.151 . . . . . . A 26 PHE CA . 19942 1 260 . 1 1 26 26 PHE CB C 13 42.737 . . . . . . A 26 PHE CB . 19942 1 261 . 1 1 26 26 PHE CD1 C 13 133.173 . . . . . . A 26 PHE CD1 . 19942 1 262 . 1 1 26 26 PHE CD2 C 13 133.173 . . . . . . A 26 PHE CD2 . 19942 1 263 . 1 1 26 26 PHE CE1 C 13 127.206 . . . . . . A 26 PHE CE1 . 19942 1 264 . 1 1 26 26 PHE CE2 C 13 127.206 . . . . . . A 26 PHE CE2 . 19942 1 265 . 1 1 26 26 PHE N N 15 114.641 . . . . . . A 26 PHE N . 19942 1 266 . 1 1 27 27 ALA H H 1 8.935 . . . . . . A 27 ALA H . 19942 1 267 . 1 1 27 27 ALA HA H 1 5.205 . . . . . . A 27 ALA HA . 19942 1 268 . 1 1 27 27 ALA HB1 H 1 0.829 . . . . . . A 27 ALA HB1 . 19942 1 269 . 1 1 27 27 ALA HB2 H 1 0.829 . . . . . . A 27 ALA HB2 . 19942 1 270 . 1 1 27 27 ALA HB3 H 1 0.829 . . . . . . A 27 ALA HB3 . 19942 1 271 . 1 1 27 27 ALA C C 13 174.966 . . . . . . A 27 ALA C . 19942 1 272 . 1 1 27 27 ALA CA C 13 49.946 . . . . . . A 27 ALA CA . 19942 1 273 . 1 1 27 27 ALA CB C 13 21.890 . . . . . . A 27 ALA CB . 19942 1 274 . 1 1 27 27 ALA N N 15 123.352 . . . . . . A 27 ALA N . 19942 1 275 . 1 1 28 28 VAL H H 1 8.933 . . . . . . A 28 VAL H . 19942 1 276 . 1 1 28 28 VAL HA H 1 4.667 . . . . . . A 28 VAL HA . 19942 1 277 . 1 1 28 28 VAL HB H 1 1.898 . . . . . . A 28 VAL HB . 19942 1 278 . 1 1 28 28 VAL HG11 H 1 0.837 . . . . . . A 28 VAL HG11 . 19942 1 279 . 1 1 28 28 VAL HG12 H 1 0.837 . . . . . . A 28 VAL HG12 . 19942 1 280 . 1 1 28 28 VAL HG13 H 1 0.837 . . . . . . A 28 VAL HG13 . 19942 1 281 . 1 1 28 28 VAL HG21 H 1 0.878 . . . . . . A 28 VAL HG21 . 19942 1 282 . 1 1 28 28 VAL HG22 H 1 0.878 . . . . . . A 28 VAL HG22 . 19942 1 283 . 1 1 28 28 VAL HG23 H 1 0.878 . . . . . . A 28 VAL HG23 . 19942 1 284 . 1 1 28 28 VAL C C 13 177.371 . . . . . . A 28 VAL C . 19942 1 285 . 1 1 28 28 VAL CA C 13 61.214 . . . . . . A 28 VAL CA . 19942 1 286 . 1 1 28 28 VAL CB C 13 34.295 . . . . . . A 28 VAL CB . 19942 1 287 . 1 1 28 28 VAL CG1 C 13 21.046 . . . . . . A 28 VAL CG1 . 19942 1 288 . 1 1 28 28 VAL CG2 C 13 21.283 . . . . . . A 28 VAL CG2 . 19942 1 289 . 1 1 28 28 VAL N N 15 122.875 . . . . . . A 28 VAL N . 19942 1 290 . 1 1 29 29 GLY H H 1 9.852 . . . . . . A 29 GLY H . 19942 1 291 . 1 1 29 29 GLY HA2 H 1 4.930 . . . . . . A 29 GLY HA2 . 19942 1 292 . 1 1 29 29 GLY HA3 H 1 3.133 . . . . . . A 29 GLY HA3 . 19942 1 293 . 1 1 29 29 GLY C C 13 171.637 . . . . . . A 29 GLY C . 19942 1 294 . 1 1 29 29 GLY CA C 13 45.056 . . . . . . A 29 GLY CA . 19942 1 295 . 1 1 29 29 GLY N N 15 118.628 . . . . . . A 29 GLY N . 19942 1 296 . 1 1 30 30 THR H H 1 8.632 . . . . . . A 30 THR H . 19942 1 297 . 1 1 30 30 THR HA H 1 5.033 . . . . . . A 30 THR HA . 19942 1 298 . 1 1 30 30 THR HB H 1 3.903 . . . . . . A 30 THR HB . 19942 1 299 . 1 1 30 30 THR HG21 H 1 1.196 . . . . . . A 30 THR HG21 . 19942 1 300 . 1 1 30 30 THR HG22 H 1 1.196 . . . . . . A 30 THR HG22 . 19942 1 301 . 1 1 30 30 THR HG23 H 1 1.196 . . . . . . A 30 THR HG23 . 19942 1 302 . 1 1 30 30 THR C C 13 173.854 . . . . . . A 30 THR C . 19942 1 303 . 1 1 30 30 THR CA C 13 62.384 . . . . . . A 30 THR CA . 19942 1 304 . 1 1 30 30 THR CB C 13 69.631 . . . . . . A 30 THR CB . 19942 1 305 . 1 1 30 30 THR CG2 C 13 21.548 . . . . . . A 30 THR CG2 . 19942 1 306 . 1 1 30 30 THR N N 15 119.749 . . . . . . A 30 THR N . 19942 1 307 . 1 1 31 31 TYR H H 1 9.411 . . . . . . A 31 TYR H . 19942 1 308 . 1 1 31 31 TYR HA H 1 5.019 . . . . . . A 31 TYR HA . 19942 1 309 . 1 1 31 31 TYR HB2 H 1 3.193 . . . . . . A 31 TYR HB2 . 19942 1 310 . 1 1 31 31 TYR HB3 H 1 2.756 . . . . . . A 31 TYR HB3 . 19942 1 311 . 1 1 31 31 TYR HD1 H 1 6.785 . . . . . . A 31 TYR HD1 . 19942 1 312 . 1 1 31 31 TYR HD2 H 1 6.785 . . . . . . A 31 TYR HD2 . 19942 1 313 . 1 1 31 31 TYR HE1 H 1 6.568 . . . . . . A 31 TYR HE1 . 19942 1 314 . 1 1 31 31 TYR HE2 H 1 6.568 . . . . . . A 31 TYR HE2 . 19942 1 315 . 1 1 31 31 TYR C C 13 179.438 . . . . . . A 31 TYR C . 19942 1 316 . 1 1 31 31 TYR CA C 13 58.012 . . . . . . A 31 TYR CA . 19942 1 317 . 1 1 31 31 TYR CB C 13 40.870 . . . . . . A 31 TYR CB . 19942 1 318 . 1 1 31 31 TYR CD1 C 13 133.408 . . . . . . A 31 TYR CD1 . 19942 1 319 . 1 1 31 31 TYR CD2 C 13 133.408 . . . . . . A 31 TYR CD2 . 19942 1 320 . 1 1 31 31 TYR CE1 C 13 118.049 . . . . . . A 31 TYR CE1 . 19942 1 321 . 1 1 31 31 TYR CE2 C 13 118.049 . . . . . . A 31 TYR CE2 . 19942 1 322 . 1 1 31 31 TYR N N 15 126.778 . . . . . . A 31 TYR N . 19942 1 323 . 1 1 32 32 SER H H 1 9.767 . . . . . . A 32 SER H . 19942 1 324 . 1 1 32 32 SER HA H 1 4.112 . . . . . . A 32 SER HA . 19942 1 325 . 1 1 32 32 SER HB2 H 1 3.930 . . . . . . A 32 SER HB2 . 19942 1 326 . 1 1 32 32 SER HB3 H 1 3.930 . . . . . . A 32 SER HB3 . 19942 1 327 . 1 1 32 32 SER C C 13 174.175 . . . . . . A 32 SER C . 19942 1 328 . 1 1 32 32 SER CA C 13 61.407 . . . . . . A 32 SER CA . 19942 1 329 . 1 1 32 32 SER CB C 13 62.779 . . . . . . A 32 SER CB . 19942 1 330 . 1 1 32 32 SER N N 15 118.249 . . . . . . A 32 SER N . 19942 1 331 . 1 1 33 33 ASP H H 1 7.702 . . . . . . A 33 ASP H . 19942 1 332 . 1 1 33 33 ASP HA H 1 4.734 . . . . . . A 33 ASP HA . 19942 1 333 . 1 1 33 33 ASP HB2 H 1 3.144 . . . . . . A 33 ASP HB2 . 19942 1 334 . 1 1 33 33 ASP HB3 H 1 2.576 . . . . . . A 33 ASP HB3 . 19942 1 335 . 1 1 33 33 ASP C C 13 177.097 . . . . . . A 33 ASP C . 19942 1 336 . 1 1 33 33 ASP CA C 13 52.676 . . . . . . A 33 ASP CA . 19942 1 337 . 1 1 33 33 ASP CB C 13 40.521 . . . . . . A 33 ASP CB . 19942 1 338 . 1 1 33 33 ASP N N 15 119.614 . . . . . . A 33 ASP N . 19942 1 339 . 1 1 34 34 GLY H H 1 8.420 . . . . . . A 34 GLY H . 19942 1 340 . 1 1 34 34 GLY HA2 H 1 4.341 . . . . . . A 34 GLY HA2 . 19942 1 341 . 1 1 34 34 GLY HA3 H 1 3.664 . . . . . . A 34 GLY HA3 . 19942 1 342 . 1 1 34 34 GLY C C 13 174.828 . . . . . . A 34 GLY C . 19942 1 343 . 1 1 34 34 GLY CA C 13 45.293 . . . . . . A 34 GLY CA . 19942 1 344 . 1 1 34 34 GLY N N 15 108.749 . . . . . . A 34 GLY N . 19942 1 345 . 1 1 35 35 THR H H 1 7.863 . . . . . . A 35 THR H . 19942 1 346 . 1 1 35 35 THR HA H 1 4.297 . . . . . . A 35 THR HA . 19942 1 347 . 1 1 35 35 THR HB H 1 4.236 . . . . . . A 35 THR HB . 19942 1 348 . 1 1 35 35 THR HG21 H 1 1.147 . . . . . . A 35 THR HG21 . 19942 1 349 . 1 1 35 35 THR HG22 H 1 1.147 . . . . . . A 35 THR HG22 . 19942 1 350 . 1 1 35 35 THR HG23 H 1 1.147 . . . . . . A 35 THR HG23 . 19942 1 351 . 1 1 35 35 THR C C 13 173.074 . . . . . . A 35 THR C . 19942 1 352 . 1 1 35 35 THR CA C 13 62.762 . . . . . . A 35 THR CA . 19942 1 353 . 1 1 35 35 THR CB C 13 71.079 . . . . . . A 35 THR CB . 19942 1 354 . 1 1 35 35 THR CG2 C 13 22.051 . . . . . . A 35 THR CG2 . 19942 1 355 . 1 1 35 35 THR N N 15 113.544 . . . . . . A 35 THR N . 19942 1 356 . 1 1 36 36 LYS H H 1 8.374 . . . . . . A 36 LYS H . 19942 1 357 . 1 1 36 36 LYS HA H 1 5.927 . . . . . . A 36 LYS HA . 19942 1 358 . 1 1 36 36 LYS HB2 H 1 1.616 . . . . . . A 36 LYS HB2 . 19942 1 359 . 1 1 36 36 LYS HB3 H 1 1.616 . . . . . . A 36 LYS HB3 . 19942 1 360 . 1 1 36 36 LYS HG2 H 1 1.540 . . . . . . A 36 LYS HG2 . 19942 1 361 . 1 1 36 36 LYS HG3 H 1 1.416 . . . . . . A 36 LYS HG3 . 19942 1 362 . 1 1 36 36 LYS HD2 H 1 1.568 . . . . . . A 36 LYS HD2 . 19942 1 363 . 1 1 36 36 LYS HD3 H 1 1.568 . . . . . . A 36 LYS HD3 . 19942 1 364 . 1 1 36 36 LYS HE2 H 1 2.904 . . . . . . A 36 LYS HE2 . 19942 1 365 . 1 1 36 36 LYS HE3 H 1 2.904 . . . . . . A 36 LYS HE3 . 19942 1 366 . 1 1 36 36 LYS C C 13 176.847 . . . . . . A 36 LYS C . 19942 1 367 . 1 1 36 36 LYS CA C 13 54.531 . . . . . . A 36 LYS CA . 19942 1 368 . 1 1 36 36 LYS CB C 13 36.923 . . . . . . A 36 LYS CB . 19942 1 369 . 1 1 36 36 LYS CG C 13 25.037 . . . . . . A 36 LYS CG . 19942 1 370 . 1 1 36 36 LYS CD C 13 29.424 . . . . . . A 36 LYS CD . 19942 1 371 . 1 1 36 36 LYS CE C 13 42.255 . . . . . . A 36 LYS CE . 19942 1 372 . 1 1 36 36 LYS N N 15 118.248 . . . . . . A 36 LYS N . 19942 1 373 . 1 1 37 37 ALA H H 1 8.892 . . . . . . A 37 ALA H . 19942 1 374 . 1 1 37 37 ALA HA H 1 4.668 . . . . . . A 37 ALA HA . 19942 1 375 . 1 1 37 37 ALA HB1 H 1 1.396 . . . . . . A 37 ALA HB1 . 19942 1 376 . 1 1 37 37 ALA HB2 H 1 1.396 . . . . . . A 37 ALA HB2 . 19942 1 377 . 1 1 37 37 ALA HB3 H 1 1.396 . . . . . . A 37 ALA HB3 . 19942 1 378 . 1 1 37 37 ALA C C 13 175.556 . . . . . . A 37 ALA C . 19942 1 379 . 1 1 37 37 ALA CA C 13 51.377 . . . . . . A 37 ALA CA . 19942 1 380 . 1 1 37 37 ALA CB C 13 23.537 . . . . . . A 37 ALA CB . 19942 1 381 . 1 1 37 37 ALA N N 15 121.621 . . . . . . A 37 ALA N . 19942 1 382 . 1 1 38 38 ASP H H 1 8.983 . . . . . . A 38 ASP H . 19942 1 383 . 1 1 38 38 ASP HA H 1 4.860 . . . . . . A 38 ASP HA . 19942 1 384 . 1 1 38 38 ASP HB2 H 1 2.970 . . . . . . A 38 ASP HB2 . 19942 1 385 . 1 1 38 38 ASP HB3 H 1 2.678 . . . . . . A 38 ASP HB3 . 19942 1 386 . 1 1 38 38 ASP C C 13 176.487 . . . . . . A 38 ASP C . 19942 1 387 . 1 1 38 38 ASP CA C 13 55.234 . . . . . . A 38 ASP CA . 19942 1 388 . 1 1 38 38 ASP CB C 13 40.775 . . . . . . A 38 ASP CB . 19942 1 389 . 1 1 38 38 ASP N N 15 121.602 . . . . . . A 38 ASP N . 19942 1 390 . 1 1 39 39 LEU H H 1 9.218 . . . . . . A 39 LEU H . 19942 1 391 . 1 1 39 39 LEU HA H 1 4.861 . . . . . . A 39 LEU HA . 19942 1 392 . 1 1 39 39 LEU HB2 H 1 1.602 . . . . . . A 39 LEU HB2 . 19942 1 393 . 1 1 39 39 LEU HB3 H 1 1.602 . . . . . . A 39 LEU HB3 . 19942 1 394 . 1 1 39 39 LEU HG H 1 1.022 . . . . . . A 39 LEU HG . 19942 1 395 . 1 1 39 39 LEU HD11 H 1 0.637 . . . . . . A 39 LEU HD11 . 19942 1 396 . 1 1 39 39 LEU HD12 H 1 0.637 . . . . . . A 39 LEU HD12 . 19942 1 397 . 1 1 39 39 LEU HD13 H 1 0.637 . . . . . . A 39 LEU HD13 . 19942 1 398 . 1 1 39 39 LEU HD21 H 1 0.529 . . . . . . A 39 LEU HD21 . 19942 1 399 . 1 1 39 39 LEU HD22 H 1 0.529 . . . . . . A 39 LEU HD22 . 19942 1 400 . 1 1 39 39 LEU HD23 H 1 0.529 . . . . . . A 39 LEU HD23 . 19942 1 401 . 1 1 39 39 LEU C C 13 177.565 . . . . . . A 39 LEU C . 19942 1 402 . 1 1 39 39 LEU CA C 13 53.590 . . . . . . A 39 LEU CA . 19942 1 403 . 1 1 39 39 LEU CB C 13 43.933 . . . . . . A 39 LEU CB . 19942 1 404 . 1 1 39 39 LEU CG C 13 26.276 . . . . . . A 39 LEU CG . 19942 1 405 . 1 1 39 39 LEU CD1 C 13 21.762 . . . . . . A 39 LEU CD1 . 19942 1 406 . 1 1 39 39 LEU CD2 C 13 21.762 . . . . . . A 39 LEU CD2 . 19942 1 407 . 1 1 39 39 LEU N N 15 128.342 . . . . . . A 39 LEU N . 19942 1 408 . 1 1 40 40 THR H H 1 8.983 . . . . . . A 40 THR H . 19942 1 409 . 1 1 40 40 THR HA H 1 4.526 . . . . . . A 40 THR HA . 19942 1 410 . 1 1 40 40 THR HB H 1 3.994 . . . . . . A 40 THR HB . 19942 1 411 . 1 1 40 40 THR HG21 H 1 1.515 . . . . . . A 40 THR HG21 . 19942 1 412 . 1 1 40 40 THR HG22 H 1 1.515 . . . . . . A 40 THR HG22 . 19942 1 413 . 1 1 40 40 THR HG23 H 1 1.515 . . . . . . A 40 THR HG23 . 19942 1 414 . 1 1 40 40 THR C C 13 174.562 . . . . . . A 40 THR C . 19942 1 415 . 1 1 40 40 THR CA C 13 69.870 . . . . . . A 40 THR CA . 19942 1 416 . 1 1 40 40 THR CB C 13 69.268 . . . . . . A 40 THR CB . 19942 1 417 . 1 1 40 40 THR CG2 C 13 21.821 . . . . . . A 40 THR CG2 . 19942 1 418 . 1 1 40 40 THR N N 15 122.567 . . . . . . A 40 THR N . 19942 1 419 . 1 1 41 41 SER H H 1 8.749 . . . . . . A 41 SER H . 19942 1 420 . 1 1 41 41 SER HA H 1 4.465 . . . . . . A 41 SER HA . 19942 1 421 . 1 1 41 41 SER HB2 H 1 4.023 . . . . . . A 41 SER HB2 . 19942 1 422 . 1 1 41 41 SER HB3 H 1 4.023 . . . . . . A 41 SER HB3 . 19942 1 423 . 1 1 41 41 SER C C 13 174.686 . . . . . . A 41 SER C . 19942 1 424 . 1 1 41 41 SER CA C 13 59.960 . . . . . . A 41 SER CA . 19942 1 425 . 1 1 41 41 SER CB C 13 63.643 . . . . . . A 41 SER CB . 19942 1 426 . 1 1 41 41 SER N N 15 109.895 . . . . . . A 41 SER N . 19942 1 427 . 1 1 42 42 SER H H 1 8.056 . . . . . . A 42 SER H . 19942 1 428 . 1 1 42 42 SER HA H 1 4.706 . . . . . . A 42 SER HA . 19942 1 429 . 1 1 42 42 SER HB2 H 1 3.731 . . . . . . A 42 SER HB2 . 19942 1 430 . 1 1 42 42 SER HB3 H 1 3.560 . . . . . . A 42 SER HB3 . 19942 1 431 . 1 1 42 42 SER C C 13 175.240 . . . . . . A 42 SER C . 19942 1 432 . 1 1 42 42 SER CA C 13 59.742 . . . . . . A 42 SER CA . 19942 1 433 . 1 1 42 42 SER CB C 13 64.724 . . . . . . A 42 SER CB . 19942 1 434 . 1 1 42 42 SER N N 15 117.037 . . . . . . A 42 SER N . 19942 1 435 . 1 1 43 43 VAL H H 1 7.498 . . . . . . A 43 VAL H . 19942 1 436 . 1 1 43 43 VAL HA H 1 4.312 . . . . . . A 43 VAL HA . 19942 1 437 . 1 1 43 43 VAL HB H 1 1.563 . . . . . . A 43 VAL HB . 19942 1 438 . 1 1 43 43 VAL HG11 H 1 0.595 . . . . . . A 43 VAL HG11 . 19942 1 439 . 1 1 43 43 VAL HG12 H 1 0.595 . . . . . . A 43 VAL HG12 . 19942 1 440 . 1 1 43 43 VAL HG13 H 1 0.595 . . . . . . A 43 VAL HG13 . 19942 1 441 . 1 1 43 43 VAL HG21 H 1 -0.091 . . . . . . A 43 VAL HG21 . 19942 1 442 . 1 1 43 43 VAL HG22 H 1 -0.091 . . . . . . A 43 VAL HG22 . 19942 1 443 . 1 1 43 43 VAL HG23 H 1 -0.091 . . . . . . A 43 VAL HG23 . 19942 1 444 . 1 1 43 43 VAL C C 13 174.501 . . . . . . A 43 VAL C . 19942 1 445 . 1 1 43 43 VAL CA C 13 61.072 . . . . . . A 43 VAL CA . 19942 1 446 . 1 1 43 43 VAL CB C 13 32.398 . . . . . . A 43 VAL CB . 19942 1 447 . 1 1 43 43 VAL CG1 C 13 21.749 . . . . . . A 43 VAL CG1 . 19942 1 448 . 1 1 43 43 VAL CG2 C 13 15.756 . . . . . . A 43 VAL CG2 . 19942 1 449 . 1 1 43 43 VAL N N 15 113.914 . . . . . . A 43 VAL N . 19942 1 450 . 1 1 44 44 THR H H 1 9.020 . . . . . . A 44 THR H . 19942 1 451 . 1 1 44 44 THR HA H 1 4.515 . . . . . . A 44 THR HA . 19942 1 452 . 1 1 44 44 THR HB H 1 3.905 . . . . . . A 44 THR HB . 19942 1 453 . 1 1 44 44 THR HG21 H 1 1.169 . . . . . . A 44 THR HG21 . 19942 1 454 . 1 1 44 44 THR HG22 H 1 1.169 . . . . . . A 44 THR HG22 . 19942 1 455 . 1 1 44 44 THR HG23 H 1 1.169 . . . . . . A 44 THR HG23 . 19942 1 456 . 1 1 44 44 THR C C 13 175.110 . . . . . . A 44 THR C . 19942 1 457 . 1 1 44 44 THR CA C 13 62.468 . . . . . . A 44 THR CA . 19942 1 458 . 1 1 44 44 THR CB C 13 69.914 . . . . . . A 44 THR CB . 19942 1 459 . 1 1 44 44 THR CG2 C 13 21.767 . . . . . . A 44 THR CG2 . 19942 1 460 . 1 1 44 44 THR N N 15 116.194 . . . . . . A 44 THR N . 19942 1 461 . 1 1 45 45 TRP H H 1 9.667 . . . . . . A 45 TRP H . 19942 1 462 . 1 1 45 45 TRP HA H 1 5.384 . . . . . . A 45 TRP HA . 19942 1 463 . 1 1 45 45 TRP HB2 H 1 3.139 . . . . . . A 45 TRP HB2 . 19942 1 464 . 1 1 45 45 TRP HB3 H 1 2.835 . . . . . . A 45 TRP HB3 . 19942 1 465 . 1 1 45 45 TRP HD1 H 1 7.127 . . . . . . A 45 TRP HD1 . 19942 1 466 . 1 1 45 45 TRP HE1 H 1 10.014 . . . . . . A 45 TRP HE1 . 19942 1 467 . 1 1 45 45 TRP HE3 H 1 7.302 . . . . . . A 45 TRP HE3 . 19942 1 468 . 1 1 45 45 TRP HZ2 H 1 7.305 . . . . . . A 45 TRP HZ2 . 19942 1 469 . 1 1 45 45 TRP HZ3 H 1 6.761 . . . . . . A 45 TRP HZ3 . 19942 1 470 . 1 1 45 45 TRP HH2 H 1 6.952 . . . . . . A 45 TRP HH2 . 19942 1 471 . 1 1 45 45 TRP C C 13 176.565 . . . . . . A 45 TRP C . 19942 1 472 . 1 1 45 45 TRP CA C 13 56.734 . . . . . . A 45 TRP CA . 19942 1 473 . 1 1 45 45 TRP CB C 13 31.495 . . . . . . A 45 TRP CB . 19942 1 474 . 1 1 45 45 TRP CE3 C 13 120.711 . . . . . . A 45 TRP CE3 . 19942 1 475 . 1 1 45 45 TRP CZ2 C 13 115.186 . . . . . . A 45 TRP CZ2 . 19942 1 476 . 1 1 45 45 TRP CZ3 C 13 121.767 . . . . . . A 45 TRP CZ3 . 19942 1 477 . 1 1 45 45 TRP CH2 C 13 124.864 . . . . . . A 45 TRP CH2 . 19942 1 478 . 1 1 45 45 TRP N N 15 133.716 . . . . . . A 45 TRP N . 19942 1 479 . 1 1 45 45 TRP NE1 N 15 128.088 . . . . . . A 45 TRP NE1 . 19942 1 480 . 1 1 46 46 SER H H 1 10.001 . . . . . . A 46 SER H . 19942 1 481 . 1 1 46 46 SER HA H 1 4.620 . . . . . . A 46 SER HA . 19942 1 482 . 1 1 46 46 SER HB2 H 1 3.800 . . . . . . A 46 SER HB2 . 19942 1 483 . 1 1 46 46 SER HB3 H 1 3.800 . . . . . . A 46 SER HB3 . 19942 1 484 . 1 1 46 46 SER C C 13 171.333 . . . . . . A 46 SER C . 19942 1 485 . 1 1 46 46 SER CA C 13 58.013 . . . . . . A 46 SER CA . 19942 1 486 . 1 1 46 46 SER CB C 13 65.605 . . . . . . A 46 SER CB . 19942 1 487 . 1 1 46 46 SER N N 15 117.142 . . . . . . A 46 SER N . 19942 1 488 . 1 1 47 47 SER H H 1 8.594 . . . . . . A 47 SER H . 19942 1 489 . 1 1 47 47 SER HA H 1 5.530 . . . . . . A 47 SER HA . 19942 1 490 . 1 1 47 47 SER HB2 H 1 3.627 . . . . . . A 47 SER HB2 . 19942 1 491 . 1 1 47 47 SER HB3 H 1 3.471 . . . . . . A 47 SER HB3 . 19942 1 492 . 1 1 47 47 SER C C 13 176.141 . . . . . . A 47 SER C . 19942 1 493 . 1 1 47 47 SER CA C 13 53.591 . . . . . . A 47 SER CA . 19942 1 494 . 1 1 47 47 SER CB C 13 66.167 . . . . . . A 47 SER CB . 19942 1 495 . 1 1 47 47 SER N N 15 112.791 . . . . . . A 47 SER N . 19942 1 496 . 1 1 48 48 SER H H 1 9.685 . . . . . . A 48 SER H . 19942 1 497 . 1 1 48 48 SER HA H 1 4.289 . . . . . . A 48 SER HA . 19942 1 498 . 1 1 48 48 SER HB2 H 1 4.227 . . . . . . A 48 SER HB2 . 19942 1 499 . 1 1 48 48 SER HB3 H 1 4.227 . . . . . . A 48 SER HB3 . 19942 1 500 . 1 1 48 48 SER C C 13 174.767 . . . . . . A 48 SER C . 19942 1 501 . 1 1 48 48 SER CA C 13 60.419 . . . . . . A 48 SER CA . 19942 1 502 . 1 1 48 48 SER CB C 13 62.630 . . . . . . A 48 SER CB . 19942 1 503 . 1 1 48 48 SER N N 15 122.562 . . . . . . A 48 SER N . 19942 1 504 . 1 1 49 49 ASN H H 1 8.006 . . . . . . A 49 ASN H . 19942 1 505 . 1 1 49 49 ASN HA H 1 4.733 . . . . . . A 49 ASN HA . 19942 1 506 . 1 1 49 49 ASN HB2 H 1 2.926 . . . . . . A 49 ASN HB2 . 19942 1 507 . 1 1 49 49 ASN HB3 H 1 2.712 . . . . . . A 49 ASN HB3 . 19942 1 508 . 1 1 49 49 ASN C C 13 175.845 . . . . . . A 49 ASN C . 19942 1 509 . 1 1 49 49 ASN CA C 13 53.566 . . . . . . A 49 ASN CA . 19942 1 510 . 1 1 49 49 ASN CB C 13 38.084 . . . . . . A 49 ASN CB . 19942 1 511 . 1 1 49 49 ASN N N 15 118.253 . . . . . . A 49 ASN N . 19942 1 512 . 1 1 50 50 GLN HA H 1 4.544 . . . . . . A 50 GLN HA . 19942 1 513 . 1 1 50 50 GLN HB2 H 1 2.188 . . . . . . A 50 GLN HB2 . 19942 1 514 . 1 1 50 50 GLN HB3 H 1 2.060 . . . . . . A 50 GLN HB3 . 19942 1 515 . 1 1 50 50 GLN HG2 H 1 2.585 . . . . . . A 50 GLN HG2 . 19942 1 516 . 1 1 50 50 GLN HG3 H 1 2.520 . . . . . . A 50 GLN HG3 . 19942 1 517 . 1 1 50 50 GLN C C 13 175.944 . . . . . . A 50 GLN C . 19942 1 518 . 1 1 50 50 GLN CA C 13 57.462 . . . . . . A 50 GLN CA . 19942 1 519 . 1 1 50 50 GLN CB C 13 28.913 . . . . . . A 50 GLN CB . 19942 1 520 . 1 1 50 50 GLN CG C 13 34.915 . . . . . . A 50 GLN CG . 19942 1 521 . 1 1 51 51 SER H H 1 8.205 . . . . . . A 51 SER H . 19942 1 522 . 1 1 51 51 SER HA H 1 4.302 . . . . . . A 51 SER HA . 19942 1 523 . 1 1 51 51 SER HB2 H 1 3.975 . . . . . . A 51 SER HB2 . 19942 1 524 . 1 1 51 51 SER HB3 H 1 3.889 . . . . . . A 51 SER HB3 . 19942 1 525 . 1 1 51 51 SER C C 13 173.524 . . . . . . A 51 SER C . 19942 1 526 . 1 1 51 51 SER CA C 13 59.973 . . . . . . A 51 SER CA . 19942 1 527 . 1 1 51 51 SER CB C 13 62.832 . . . . . . A 51 SER CB . 19942 1 528 . 1 1 51 51 SER N N 15 113.229 . . . . . . A 51 SER N . 19942 1 529 . 1 1 52 52 GLN H H 1 7.277 . . . . . . A 52 GLN H . 19942 1 530 . 1 1 52 52 GLN HA H 1 4.558 . . . . . . A 52 GLN HA . 19942 1 531 . 1 1 52 52 GLN HB2 H 1 1.912 . . . . . . A 52 GLN HB2 . 19942 1 532 . 1 1 52 52 GLN HB3 H 1 1.726 . . . . . . A 52 GLN HB3 . 19942 1 533 . 1 1 52 52 GLN HG2 H 1 2.123 . . . . . . A 52 GLN HG2 . 19942 1 534 . 1 1 52 52 GLN HG3 H 1 2.123 . . . . . . A 52 GLN HG3 . 19942 1 535 . 1 1 52 52 GLN C C 13 176.697 . . . . . . A 52 GLN C . 19942 1 536 . 1 1 52 52 GLN CA C 13 56.116 . . . . . . A 52 GLN CA . 19942 1 537 . 1 1 52 52 GLN CB C 13 29.584 . . . . . . A 52 GLN CB . 19942 1 538 . 1 1 52 52 GLN CG C 13 32.894 . . . . . . A 52 GLN CG . 19942 1 539 . 1 1 52 52 GLN N N 15 116.510 . . . . . . A 52 GLN N . 19942 1 540 . 1 1 53 53 ALA H H 1 8.150 . . . . . . A 53 ALA H . 19942 1 541 . 1 1 53 53 ALA HA H 1 4.908 . . . . . . A 53 ALA HA . 19942 1 542 . 1 1 53 53 ALA HB1 H 1 0.984 . . . . . . A 53 ALA HB1 . 19942 1 543 . 1 1 53 53 ALA HB2 H 1 0.984 . . . . . . A 53 ALA HB2 . 19942 1 544 . 1 1 53 53 ALA HB3 H 1 0.984 . . . . . . A 53 ALA HB3 . 19942 1 545 . 1 1 53 53 ALA C C 13 174.225 . . . . . . A 53 ALA C . 19942 1 546 . 1 1 53 53 ALA CA C 13 52.378 . . . . . . A 53 ALA CA . 19942 1 547 . 1 1 53 53 ALA CB C 13 22.096 . . . . . . A 53 ALA CB . 19942 1 548 . 1 1 53 53 ALA N N 15 119.325 . . . . . . A 53 ALA N . 19942 1 549 . 1 1 54 54 LYS H H 1 8.397 . . . . . . A 54 LYS H . 19942 1 550 . 1 1 54 54 LYS HA H 1 4.909 . . . . . . A 54 LYS HA . 19942 1 551 . 1 1 54 54 LYS HB2 H 1 1.686 . . . . . . A 54 LYS HB2 . 19942 1 552 . 1 1 54 54 LYS HB3 H 1 1.686 . . . . . . A 54 LYS HB3 . 19942 1 553 . 1 1 54 54 LYS HG2 H 1 1.495 . . . . . . A 54 LYS HG2 . 19942 1 554 . 1 1 54 54 LYS HG3 H 1 1.347 . . . . . . A 54 LYS HG3 . 19942 1 555 . 1 1 54 54 LYS HD2 H 1 1.751 . . . . . . A 54 LYS HD2 . 19942 1 556 . 1 1 54 54 LYS HD3 H 1 1.751 . . . . . . A 54 LYS HD3 . 19942 1 557 . 1 1 54 54 LYS HE2 H 1 2.887 . . . . . . A 54 LYS HE2 . 19942 1 558 . 1 1 54 54 LYS HE3 H 1 2.887 . . . . . . A 54 LYS HE3 . 19942 1 559 . 1 1 54 54 LYS C C 13 173.892 . . . . . . A 54 LYS C . 19942 1 560 . 1 1 54 54 LYS CA C 13 53.762 . . . . . . A 54 LYS CA . 19942 1 561 . 1 1 54 54 LYS CB C 13 36.108 . . . . . . A 54 LYS CB . 19942 1 562 . 1 1 54 54 LYS CG C 13 25.135 . . . . . . A 54 LYS CG . 19942 1 563 . 1 1 54 54 LYS CD C 13 29.512 . . . . . . A 54 LYS CD . 19942 1 564 . 1 1 54 54 LYS CE C 13 42.032 . . . . . . A 54 LYS CE . 19942 1 565 . 1 1 54 54 LYS N N 15 120.764 . . . . . . A 54 LYS N . 19942 1 566 . 1 1 55 55 VAL H H 1 8.748 . . . . . . A 55 VAL H . 19942 1 567 . 1 1 55 55 VAL HA H 1 4.933 . . . . . . A 55 VAL HA . 19942 1 568 . 1 1 55 55 VAL HB H 1 1.581 . . . . . . A 55 VAL HB . 19942 1 569 . 1 1 55 55 VAL HG11 H 1 0.771 . . . . . . A 55 VAL HG11 . 19942 1 570 . 1 1 55 55 VAL HG12 H 1 0.771 . . . . . . A 55 VAL HG12 . 19942 1 571 . 1 1 55 55 VAL HG13 H 1 0.771 . . . . . . A 55 VAL HG13 . 19942 1 572 . 1 1 55 55 VAL HG21 H 1 0.388 . . . . . . A 55 VAL HG21 . 19942 1 573 . 1 1 55 55 VAL HG22 H 1 0.388 . . . . . . A 55 VAL HG22 . 19942 1 574 . 1 1 55 55 VAL HG23 H 1 0.388 . . . . . . A 55 VAL HG23 . 19942 1 575 . 1 1 55 55 VAL C C 13 172.770 . . . . . . A 55 VAL C . 19942 1 576 . 1 1 55 55 VAL CA C 13 58.070 . . . . . . A 55 VAL CA . 19942 1 577 . 1 1 55 55 VAL CB C 13 34.874 . . . . . . A 55 VAL CB . 19942 1 578 . 1 1 55 55 VAL CG1 C 13 18.128 . . . . . . A 55 VAL CG1 . 19942 1 579 . 1 1 55 55 VAL CG2 C 13 21.570 . . . . . . A 55 VAL CG2 . 19942 1 580 . 1 1 55 55 VAL N N 15 118.409 . . . . . . A 55 VAL N . 19942 1 581 . 1 1 56 56 SER H H 1 7.851 . . . . . . A 56 SER H . 19942 1 582 . 1 1 56 56 SER HA H 1 4.364 . . . . . . A 56 SER HA . 19942 1 583 . 1 1 56 56 SER HB2 H 1 3.747 . . . . . . A 56 SER HB2 . 19942 1 584 . 1 1 56 56 SER HB3 H 1 3.747 . . . . . . A 56 SER HB3 . 19942 1 585 . 1 1 56 56 SER C C 13 174.635 . . . . . . A 56 SER C . 19942 1 586 . 1 1 56 56 SER CA C 13 57.399 . . . . . . A 56 SER CA . 19942 1 587 . 1 1 56 56 SER CB C 13 63.633 . . . . . . A 56 SER CB . 19942 1 588 . 1 1 56 56 SER N N 15 119.976 . . . . . . A 56 SER N . 19942 1 589 . 1 1 57 57 ASN H H 1 9.190 . . . . . . A 57 ASN H . 19942 1 590 . 1 1 57 57 ASN HA H 1 5.257 . . . . . . A 57 ASN HA . 19942 1 591 . 1 1 57 57 ASN HB2 H 1 3.135 . . . . . . A 57 ASN HB2 . 19942 1 592 . 1 1 57 57 ASN HB3 H 1 2.639 . . . . . . A 57 ASN HB3 . 19942 1 593 . 1 1 57 57 ASN HD21 H 1 8.416 . . . . . . A 57 ASN HD21 . 19942 1 594 . 1 1 57 57 ASN HD22 H 1 8.000 . . . . . . A 57 ASN HD22 . 19942 1 595 . 1 1 57 57 ASN C C 13 174.450 . . . . . . A 57 ASN C . 19942 1 596 . 1 1 57 57 ASN CA C 13 53.388 . . . . . . A 57 ASN CA . 19942 1 597 . 1 1 57 57 ASN CB C 13 41.530 . . . . . . A 57 ASN CB . 19942 1 598 . 1 1 57 57 ASN N N 15 124.627 . . . . . . A 57 ASN N . 19942 1 599 . 1 1 57 57 ASN ND2 N 15 118.303 . . . . . . A 57 ASN ND2 . 19942 1 600 . 1 1 58 58 ALA H H 1 8.121 . . . . . . A 58 ALA H . 19942 1 601 . 1 1 58 58 ALA HA H 1 4.338 . . . . . . A 58 ALA HA . 19942 1 602 . 1 1 58 58 ALA HB1 H 1 1.382 . . . . . . A 58 ALA HB1 . 19942 1 603 . 1 1 58 58 ALA HB2 H 1 1.382 . . . . . . A 58 ALA HB2 . 19942 1 604 . 1 1 58 58 ALA HB3 H 1 1.382 . . . . . . A 58 ALA HB3 . 19942 1 605 . 1 1 58 58 ALA C C 13 178.628 . . . . . . A 58 ALA C . 19942 1 606 . 1 1 58 58 ALA CA C 13 52.228 . . . . . . A 58 ALA CA . 19942 1 607 . 1 1 58 58 ALA CB C 13 18.910 . . . . . . A 58 ALA CB . 19942 1 608 . 1 1 58 58 ALA N N 15 127.007 . . . . . . A 58 ALA N . 19942 1 609 . 1 1 59 59 SER H H 1 8.767 . . . . . . A 59 SER H . 19942 1 610 . 1 1 59 59 SER HA H 1 4.888 . . . . . . A 59 SER HA . 19942 1 611 . 1 1 59 59 SER HB2 H 1 3.951 . . . . . . A 59 SER HB2 . 19942 1 612 . 1 1 59 59 SER HB3 H 1 3.951 . . . . . . A 59 SER HB3 . 19942 1 613 . 1 1 59 59 SER C C 13 176.729 . . . . . . A 59 SER C . 19942 1 614 . 1 1 59 59 SER CA C 13 62.500 . . . . . . A 59 SER CA . 19942 1 615 . 1 1 59 59 SER CB C 13 63.113 . . . . . . A 59 SER CB . 19942 1 616 . 1 1 59 59 SER N N 15 116.407 . . . . . . A 59 SER N . 19942 1 617 . 1 1 60 60 GLU H H 1 9.190 . . . . . . A 60 GLU H . 19942 1 618 . 1 1 60 60 GLU HA H 1 4.232 . . . . . . A 60 GLU HA . 19942 1 619 . 1 1 60 60 GLU HB2 H 1 2.142 . . . . . . A 60 GLU HB2 . 19942 1 620 . 1 1 60 60 GLU HB3 H 1 2.047 . . . . . . A 60 GLU HB3 . 19942 1 621 . 1 1 60 60 GLU HG2 H 1 2.369 . . . . . . A 60 GLU HG2 . 19942 1 622 . 1 1 60 60 GLU HG3 H 1 2.369 . . . . . . A 60 GLU HG3 . 19942 1 623 . 1 1 60 60 GLU C C 13 177.467 . . . . . . A 60 GLU C . 19942 1 624 . 1 1 60 60 GLU CA C 13 58.716 . . . . . . A 60 GLU CA . 19942 1 625 . 1 1 60 60 GLU CB C 13 29.611 . . . . . . A 60 GLU CB . 19942 1 626 . 1 1 60 60 GLU CG C 13 36.779 . . . . . . A 60 GLU CG . 19942 1 627 . 1 1 60 60 GLU N N 15 117.093 . . . . . . A 60 GLU N . 19942 1 628 . 1 1 61 61 THR H H 1 7.369 . . . . . . A 61 THR H . 19942 1 629 . 1 1 61 61 THR HA H 1 4.820 . . . . . . A 61 THR HA . 19942 1 630 . 1 1 61 61 THR HB H 1 4.695 . . . . . . A 61 THR HB . 19942 1 631 . 1 1 61 61 THR HG21 H 1 1.016 . . . . . . A 61 THR HG21 . 19942 1 632 . 1 1 61 61 THR HG22 H 1 1.016 . . . . . . A 61 THR HG22 . 19942 1 633 . 1 1 61 61 THR HG23 H 1 1.016 . . . . . . A 61 THR HG23 . 19942 1 634 . 1 1 61 61 THR C C 13 173.068 . . . . . . A 61 THR C . 19942 1 635 . 1 1 61 61 THR CA C 13 59.191 . . . . . . A 61 THR CA . 19942 1 636 . 1 1 61 61 THR CB C 13 69.219 . . . . . . A 61 THR CB . 19942 1 637 . 1 1 61 61 THR CG2 C 13 21.310 . . . . . . A 61 THR CG2 . 19942 1 638 . 1 1 61 61 THR N N 15 107.270 . . . . . . A 61 THR N . 19942 1 639 . 1 1 62 62 LYS H H 1 6.924 . . . . . . A 62 LYS H . 19942 1 640 . 1 1 62 62 LYS HA H 1 3.686 . . . . . . A 62 LYS HA . 19942 1 641 . 1 1 62 62 LYS HB2 H 1 1.890 . . . . . . A 62 LYS HB2 . 19942 1 642 . 1 1 62 62 LYS HB3 H 1 1.890 . . . . . . A 62 LYS HB3 . 19942 1 643 . 1 1 62 62 LYS HG2 H 1 1.673 . . . . . . A 62 LYS HG2 . 19942 1 644 . 1 1 62 62 LYS HG3 H 1 1.673 . . . . . . A 62 LYS HG3 . 19942 1 645 . 1 1 62 62 LYS HD2 H 1 1.961 . . . . . . A 62 LYS HD2 . 19942 1 646 . 1 1 62 62 LYS HD3 H 1 1.961 . . . . . . A 62 LYS HD3 . 19942 1 647 . 1 1 62 62 LYS HE2 H 1 3.350 . . . . . . A 62 LYS HE2 . 19942 1 648 . 1 1 62 62 LYS HE3 H 1 3.227 . . . . . . A 62 LYS HE3 . 19942 1 649 . 1 1 62 62 LYS C C 13 178.225 . . . . . . A 62 LYS C . 19942 1 650 . 1 1 62 62 LYS CA C 13 58.121 . . . . . . A 62 LYS CA . 19942 1 651 . 1 1 62 62 LYS CB C 13 33.290 . . . . . . A 62 LYS CB . 19942 1 652 . 1 1 62 62 LYS CG C 13 26.137 . . . . . . A 62 LYS CG . 19942 1 653 . 1 1 62 62 LYS CD C 13 30.831 . . . . . . A 62 LYS CD . 19942 1 654 . 1 1 62 62 LYS CE C 13 43.006 . . . . . . A 62 LYS CE . 19942 1 655 . 1 1 62 62 LYS N N 15 122.917 . . . . . . A 62 LYS N . 19942 1 656 . 1 1 63 63 GLY H H 1 7.966 . . . . . . A 63 GLY H . 19942 1 657 . 1 1 63 63 GLY HA2 H 1 2.866 . . . . . . A 63 GLY HA2 . 19942 1 658 . 1 1 63 63 GLY HA3 H 1 0.990 . . . . . . A 63 GLY HA3 . 19942 1 659 . 1 1 63 63 GLY C C 13 171.831 . . . . . . A 63 GLY C . 19942 1 660 . 1 1 63 63 GLY CA C 13 44.355 . . . . . . A 63 GLY CA . 19942 1 661 . 1 1 63 63 GLY N N 15 111.784 . . . . . . A 63 GLY N . 19942 1 662 . 1 1 64 64 LEU H H 1 7.785 . . . . . . A 64 LEU H . 19942 1 663 . 1 1 64 64 LEU HA H 1 4.060 . . . . . . A 64 LEU HA . 19942 1 664 . 1 1 64 64 LEU HB2 H 1 1.831 . . . . . . A 64 LEU HB2 . 19942 1 665 . 1 1 64 64 LEU HB3 H 1 1.831 . . . . . . A 64 LEU HB3 . 19942 1 666 . 1 1 64 64 LEU HG H 1 1.263 . . . . . . A 64 LEU HG . 19942 1 667 . 1 1 64 64 LEU HD11 H 1 0.557 . . . . . . A 64 LEU HD11 . 19942 1 668 . 1 1 64 64 LEU HD12 H 1 0.557 . . . . . . A 64 LEU HD12 . 19942 1 669 . 1 1 64 64 LEU HD13 H 1 0.557 . . . . . . A 64 LEU HD13 . 19942 1 670 . 1 1 64 64 LEU HD21 H 1 0.547 . . . . . . A 64 LEU HD21 . 19942 1 671 . 1 1 64 64 LEU HD22 H 1 0.547 . . . . . . A 64 LEU HD22 . 19942 1 672 . 1 1 64 64 LEU HD23 H 1 0.547 . . . . . . A 64 LEU HD23 . 19942 1 673 . 1 1 64 64 LEU C C 13 176.666 . . . . . . A 64 LEU C . 19942 1 674 . 1 1 64 64 LEU CA C 13 55.563 . . . . . . A 64 LEU CA . 19942 1 675 . 1 1 64 64 LEU CB C 13 43.073 . . . . . . A 64 LEU CB . 19942 1 676 . 1 1 64 64 LEU CG C 13 25.925 . . . . . . A 64 LEU CG . 19942 1 677 . 1 1 64 64 LEU CD1 C 13 25.269 . . . . . . A 64 LEU CD1 . 19942 1 678 . 1 1 64 64 LEU CD2 C 13 22.451 . . . . . . A 64 LEU CD2 . 19942 1 679 . 1 1 64 64 LEU N N 15 120.854 . . . . . . A 64 LEU N . 19942 1 680 . 1 1 65 65 VAL H H 1 8.973 . . . . . . A 65 VAL H . 19942 1 681 . 1 1 65 65 VAL HA H 1 4.636 . . . . . . A 65 VAL HA . 19942 1 682 . 1 1 65 65 VAL HB H 1 1.988 . . . . . . A 65 VAL HB . 19942 1 683 . 1 1 65 65 VAL HG11 H 1 0.459 . . . . . . A 65 VAL HG11 . 19942 1 684 . 1 1 65 65 VAL HG12 H 1 0.459 . . . . . . A 65 VAL HG12 . 19942 1 685 . 1 1 65 65 VAL HG13 H 1 0.459 . . . . . . A 65 VAL HG13 . 19942 1 686 . 1 1 65 65 VAL HG21 H 1 0.212 . . . . . . A 65 VAL HG21 . 19942 1 687 . 1 1 65 65 VAL HG22 H 1 0.212 . . . . . . A 65 VAL HG22 . 19942 1 688 . 1 1 65 65 VAL HG23 H 1 0.212 . . . . . . A 65 VAL HG23 . 19942 1 689 . 1 1 65 65 VAL C C 13 174.956 . . . . . . A 65 VAL C . 19942 1 690 . 1 1 65 65 VAL CA C 13 61.323 . . . . . . A 65 VAL CA . 19942 1 691 . 1 1 65 65 VAL CB C 13 32.996 . . . . . . A 65 VAL CB . 19942 1 692 . 1 1 65 65 VAL CG1 C 13 21.560 . . . . . . A 65 VAL CG1 . 19942 1 693 . 1 1 65 65 VAL CG2 C 13 22.621 . . . . . . A 65 VAL CG2 . 19942 1 694 . 1 1 65 65 VAL N N 15 135.184 . . . . . . A 65 VAL N . 19942 1 695 . 1 1 66 66 THR H H 1 8.947 . . . . . . A 66 THR H . 19942 1 696 . 1 1 66 66 THR HA H 1 4.774 . . . . . . A 66 THR HA . 19942 1 697 . 1 1 66 66 THR HB H 1 3.543 . . . . . . A 66 THR HB . 19942 1 698 . 1 1 66 66 THR HG21 H 1 0.982 . . . . . . A 66 THR HG21 . 19942 1 699 . 1 1 66 66 THR HG22 H 1 0.982 . . . . . . A 66 THR HG22 . 19942 1 700 . 1 1 66 66 THR HG23 H 1 0.982 . . . . . . A 66 THR HG23 . 19942 1 701 . 1 1 66 66 THR C C 13 174.266 . . . . . . A 66 THR C . 19942 1 702 . 1 1 66 66 THR CA C 13 61.225 . . . . . . A 66 THR CA . 19942 1 703 . 1 1 66 66 THR CB C 13 71.190 . . . . . . A 66 THR CB . 19942 1 704 . 1 1 66 66 THR N N 15 121.955 . . . . . . A 66 THR N . 19942 1 705 . 1 1 67 67 GLY H H 1 9.201 . . . . . . A 67 GLY H . 19942 1 706 . 1 1 67 67 GLY HA2 H 1 3.944 . . . . . . A 67 GLY HA2 . 19942 1 707 . 1 1 67 67 GLY HA3 H 1 3.425 . . . . . . A 67 GLY HA3 . 19942 1 708 . 1 1 67 67 GLY C C 13 172.326 . . . . . . A 67 GLY C . 19942 1 709 . 1 1 67 67 GLY CA C 13 46.232 . . . . . . A 67 GLY CA . 19942 1 710 . 1 1 67 67 GLY N N 15 114.304 . . . . . . A 67 GLY N . 19942 1 711 . 1 1 68 68 ILE H H 1 8.927 . . . . . . A 68 ILE H . 19942 1 712 . 1 1 68 68 ILE HA H 1 4.123 . . . . . . A 68 ILE HA . 19942 1 713 . 1 1 68 68 ILE HG12 H 1 1.360 . . . . . . A 68 ILE HG12 . 19942 1 714 . 1 1 68 68 ILE HG13 H 1 1.360 . . . . . . A 68 ILE HG13 . 19942 1 715 . 1 1 68 68 ILE HG21 H 1 0.835 . . . . . . A 68 ILE HG21 . 19942 1 716 . 1 1 68 68 ILE HG22 H 1 0.835 . . . . . . A 68 ILE HG22 . 19942 1 717 . 1 1 68 68 ILE HG23 H 1 0.835 . . . . . . A 68 ILE HG23 . 19942 1 718 . 1 1 68 68 ILE HD11 H 1 0.743 . . . . . . A 68 ILE HD11 . 19942 1 719 . 1 1 68 68 ILE HD12 H 1 0.743 . . . . . . A 68 ILE HD12 . 19942 1 720 . 1 1 68 68 ILE HD13 H 1 0.743 . . . . . . A 68 ILE HD13 . 19942 1 721 . 1 1 68 68 ILE C C 13 175.021 . . . . . . A 68 ILE C . 19942 1 722 . 1 1 68 68 ILE CA C 13 61.608 . . . . . . A 68 ILE CA . 19942 1 723 . 1 1 68 68 ILE CB C 13 39.154 . . . . . . A 68 ILE CB . 19942 1 724 . 1 1 68 68 ILE CG1 C 13 26.075 . . . . . . A 68 ILE CG1 . 19942 1 725 . 1 1 68 68 ILE CG2 C 13 17.976 . . . . . . A 68 ILE CG2 . 19942 1 726 . 1 1 68 68 ILE CD1 C 13 11.085 . . . . . . A 68 ILE CD1 . 19942 1 727 . 1 1 68 68 ILE N N 15 126.492 . . . . . . A 68 ILE N . 19942 1 728 . 1 1 69 69 ALA H H 1 8.413 . . . . . . A 69 ALA H . 19942 1 729 . 1 1 69 69 ALA HA H 1 4.395 . . . . . . A 69 ALA HA . 19942 1 730 . 1 1 69 69 ALA HB1 H 1 1.473 . . . . . . A 69 ALA HB1 . 19942 1 731 . 1 1 69 69 ALA HB2 H 1 1.473 . . . . . . A 69 ALA HB2 . 19942 1 732 . 1 1 69 69 ALA HB3 H 1 1.473 . . . . . . A 69 ALA HB3 . 19942 1 733 . 1 1 69 69 ALA C C 13 174.111 . . . . . . A 69 ALA C . 19942 1 734 . 1 1 69 69 ALA CA C 13 51.859 . . . . . . A 69 ALA CA . 19942 1 735 . 1 1 69 69 ALA CB C 13 22.057 . . . . . . A 69 ALA CB . 19942 1 736 . 1 1 69 69 ALA N N 15 122.378 . . . . . . A 69 ALA N . 19942 1 737 . 1 1 70 70 SER H H 1 8.109 . . . . . . A 70 SER H . 19942 1 738 . 1 1 70 70 SER HA H 1 4.013 . . . . . . A 70 SER HA . 19942 1 739 . 1 1 70 70 SER HB2 H 1 3.780 . . . . . . A 70 SER HB2 . 19942 1 740 . 1 1 70 70 SER HB3 H 1 3.780 . . . . . . A 70 SER HB3 . 19942 1 741 . 1 1 70 70 SER C C 13 174.180 . . . . . . A 70 SER C . 19942 1 742 . 1 1 70 70 SER CA C 13 58.620 . . . . . . A 70 SER CA . 19942 1 743 . 1 1 70 70 SER CB C 13 64.114 . . . . . . A 70 SER CB . 19942 1 744 . 1 1 70 70 SER N N 15 110.668 . . . . . . A 70 SER N . 19942 1 745 . 1 1 71 71 GLY H H 1 8.055 . . . . . . A 71 GLY H . 19942 1 746 . 1 1 71 71 GLY HA2 H 1 4.305 . . . . . . A 71 GLY HA2 . 19942 1 747 . 1 1 71 71 GLY HA3 H 1 3.795 . . . . . . A 71 GLY HA3 . 19942 1 748 . 1 1 71 71 GLY C C 13 170.868 . . . . . . A 71 GLY C . 19942 1 749 . 1 1 71 71 GLY CA C 13 44.343 . . . . . . A 71 GLY CA . 19942 1 750 . 1 1 71 71 GLY N N 15 108.506 . . . . . . A 71 GLY N . 19942 1 751 . 1 1 72 72 ASN H H 1 8.238 . . . . . . A 72 ASN H . 19942 1 752 . 1 1 72 72 ASN HA H 1 4.892 . . . . . . A 72 ASN HA . 19942 1 753 . 1 1 72 72 ASN HB2 H 1 2.594 . . . . . . A 72 ASN HB2 . 19942 1 754 . 1 1 72 72 ASN HB3 H 1 2.594 . . . . . . A 72 ASN HB3 . 19942 1 755 . 1 1 72 72 ASN C C 13 171.109 . . . . . . A 72 ASN C . 19942 1 756 . 1 1 72 72 ASN CA C 13 51.409 . . . . . . A 72 ASN CA . 19942 1 757 . 1 1 72 72 ASN CB C 13 39.972 . . . . . . A 72 ASN CB . 19942 1 758 . 1 1 72 72 ASN N N 15 116.234 . . . . . . A 72 ASN N . 19942 1 759 . 1 1 73 73 PRO HB2 H 1 2.362 . . . . . . A 73 PRO HB2 . 19942 1 760 . 1 1 73 73 PRO HB3 H 1 2.362 . . . . . . A 73 PRO HB3 . 19942 1 761 . 1 1 73 73 PRO HG2 H 1 1.918 . . . . . . A 73 PRO HG2 . 19942 1 762 . 1 1 73 73 PRO HG3 H 1 1.918 . . . . . . A 73 PRO HG3 . 19942 1 763 . 1 1 73 73 PRO C C 13 173.522 . . . . . . A 73 PRO C . 19942 1 764 . 1 1 73 73 PRO CA C 13 63.322 . . . . . . A 73 PRO CA . 19942 1 765 . 1 1 73 73 PRO CB C 13 32.053 . . . . . . A 73 PRO CB . 19942 1 766 . 1 1 73 73 PRO CD C 13 49.327 . . . . . . A 73 PRO CD . 19942 1 767 . 1 1 74 74 THR H H 1 8.775 . . . . . . A 74 THR H . 19942 1 768 . 1 1 74 74 THR HA H 1 4.399 . . . . . . A 74 THR HA . 19942 1 769 . 1 1 74 74 THR HB H 1 3.863 . . . . . . A 74 THR HB . 19942 1 770 . 1 1 74 74 THR HG21 H 1 1.119 . . . . . . A 74 THR HG21 . 19942 1 771 . 1 1 74 74 THR HG22 H 1 1.119 . . . . . . A 74 THR HG22 . 19942 1 772 . 1 1 74 74 THR HG23 H 1 1.119 . . . . . . A 74 THR HG23 . 19942 1 773 . 1 1 74 74 THR C C 13 173.467 . . . . . . A 74 THR C . 19942 1 774 . 1 1 74 74 THR CA C 13 61.852 . . . . . . A 74 THR CA . 19942 1 775 . 1 1 74 74 THR CB C 13 70.609 . . . . . . A 74 THR CB . 19942 1 776 . 1 1 74 74 THR N N 15 115.192 . . . . . . A 74 THR N . 19942 1 777 . 1 1 75 75 ILE HA H 1 4.883 . . . . . . A 75 ILE HA . 19942 1 778 . 1 1 75 75 ILE HB H 1 1.830 . . . . . . A 75 ILE HB . 19942 1 779 . 1 1 75 75 ILE HD11 H 1 0.390 . . . . . . A 75 ILE HD11 . 19942 1 780 . 1 1 75 75 ILE HD12 H 1 0.390 . . . . . . A 75 ILE HD12 . 19942 1 781 . 1 1 75 75 ILE HD13 H 1 0.390 . . . . . . A 75 ILE HD13 . 19942 1 782 . 1 1 75 75 ILE CA C 13 61.787 . . . . . . A 75 ILE CA . 19942 1 783 . 1 1 75 75 ILE CB C 13 36.867 . . . . . . A 75 ILE CB . 19942 1 784 . 1 1 75 75 ILE CG1 C 13 26.349 . . . . . . A 75 ILE CG1 . 19942 1 785 . 1 1 75 75 ILE CG2 C 13 17.349 . . . . . . A 75 ILE CG2 . 19942 1 786 . 1 1 75 75 ILE CD1 C 13 7.693 . . . . . . A 75 ILE CD1 . 19942 1 787 . 1 1 76 76 ILE H H 1 8.982 . . . . . . A 76 ILE H . 19942 1 788 . 1 1 76 76 ILE HA H 1 4.675 . . . . . . A 76 ILE HA . 19942 1 789 . 1 1 76 76 ILE HB H 1 1.659 . . . . . . A 76 ILE HB . 19942 1 790 . 1 1 76 76 ILE HG12 H 1 1.321 . . . . . . A 76 ILE HG12 . 19942 1 791 . 1 1 76 76 ILE HG13 H 1 1.321 . . . . . . A 76 ILE HG13 . 19942 1 792 . 1 1 76 76 ILE HG21 H 1 0.731 . . . . . . A 76 ILE HG21 . 19942 1 793 . 1 1 76 76 ILE HG22 H 1 0.731 . . . . . . A 76 ILE HG22 . 19942 1 794 . 1 1 76 76 ILE HG23 H 1 0.731 . . . . . . A 76 ILE HG23 . 19942 1 795 . 1 1 76 76 ILE HD11 H 1 0.631 . . . . . . A 76 ILE HD11 . 19942 1 796 . 1 1 76 76 ILE HD12 H 1 0.631 . . . . . . A 76 ILE HD12 . 19942 1 797 . 1 1 76 76 ILE HD13 H 1 0.631 . . . . . . A 76 ILE HD13 . 19942 1 798 . 1 1 76 76 ILE C C 13 173.870 . . . . . . A 76 ILE C . 19942 1 799 . 1 1 76 76 ILE CA C 13 60.543 . . . . . . A 76 ILE CA . 19942 1 800 . 1 1 76 76 ILE CB C 13 40.920 . . . . . . A 76 ILE CB . 19942 1 801 . 1 1 76 76 ILE CG1 C 13 29.288 . . . . . . A 76 ILE CG1 . 19942 1 802 . 1 1 76 76 ILE CG2 C 13 18.320 . . . . . . A 76 ILE CG2 . 19942 1 803 . 1 1 76 76 ILE CD1 C 13 14.428 . . . . . . A 76 ILE CD1 . 19942 1 804 . 1 1 76 76 ILE N N 15 126.694 . . . . . . A 76 ILE N . 19942 1 805 . 1 1 77 77 ALA H H 1 8.431 . . . . . . A 77 ALA H . 19942 1 806 . 1 1 77 77 ALA HA H 1 4.499 . . . . . . A 77 ALA HA . 19942 1 807 . 1 1 77 77 ALA HB1 H 1 0.079 . . . . . . A 77 ALA HB1 . 19942 1 808 . 1 1 77 77 ALA HB2 H 1 0.079 . . . . . . A 77 ALA HB2 . 19942 1 809 . 1 1 77 77 ALA HB3 H 1 0.079 . . . . . . A 77 ALA HB3 . 19942 1 810 . 1 1 77 77 ALA C C 13 175.857 . . . . . . A 77 ALA C . 19942 1 811 . 1 1 77 77 ALA CA C 13 49.793 . . . . . . A 77 ALA CA . 19942 1 812 . 1 1 77 77 ALA CB C 13 21.672 . . . . . . A 77 ALA CB . 19942 1 813 . 1 1 77 77 ALA N N 15 126.455 . . . . . . A 77 ALA N . 19942 1 814 . 1 1 78 78 THR H H 1 8.135 . . . . . . A 78 THR H . 19942 1 815 . 1 1 78 78 THR HA H 1 4.849 . . . . . . A 78 THR HA . 19942 1 816 . 1 1 78 78 THR HB H 1 3.668 . . . . . . A 78 THR HB . 19942 1 817 . 1 1 78 78 THR HG21 H 1 1.062 . . . . . . A 78 THR HG21 . 19942 1 818 . 1 1 78 78 THR HG22 H 1 1.062 . . . . . . A 78 THR HG22 . 19942 1 819 . 1 1 78 78 THR HG23 H 1 1.062 . . . . . . A 78 THR HG23 . 19942 1 820 . 1 1 78 78 THR C C 13 173.211 . . . . . . A 78 THR C . 19942 1 821 . 1 1 78 78 THR CA C 13 61.343 . . . . . . A 78 THR CA . 19942 1 822 . 1 1 78 78 THR CB C 13 71.627 . . . . . . A 78 THR CB . 19942 1 823 . 1 1 78 78 THR CG2 C 13 21.835 . . . . . . A 78 THR CG2 . 19942 1 824 . 1 1 78 78 THR N N 15 116.767 . . . . . . A 78 THR N . 19942 1 825 . 1 1 79 79 TYR H H 1 9.136 . . . . . . A 79 TYR H . 19942 1 826 . 1 1 79 79 TYR HA H 1 4.629 . . . . . . A 79 TYR HA . 19942 1 827 . 1 1 79 79 TYR HB2 H 1 2.807 . . . . . . A 79 TYR HB2 . 19942 1 828 . 1 1 79 79 TYR HB3 H 1 2.473 . . . . . . A 79 TYR HB3 . 19942 1 829 . 1 1 79 79 TYR HD1 H 1 6.920 . . . . . . A 79 TYR HD1 . 19942 1 830 . 1 1 79 79 TYR HD2 H 1 6.920 . . . . . . A 79 TYR HD2 . 19942 1 831 . 1 1 79 79 TYR HE1 H 1 6.814 . . . . . . A 79 TYR HE1 . 19942 1 832 . 1 1 79 79 TYR HE2 H 1 6.814 . . . . . . A 79 TYR HE2 . 19942 1 833 . 1 1 79 79 TYR C C 13 174.921 . . . . . . A 79 TYR C . 19942 1 834 . 1 1 79 79 TYR CA C 13 57.506 . . . . . . A 79 TYR CA . 19942 1 835 . 1 1 79 79 TYR CB C 13 40.572 . . . . . . A 79 TYR CB . 19942 1 836 . 1 1 79 79 TYR CD1 C 13 132.917 . . . . . . A 79 TYR CD1 . 19942 1 837 . 1 1 79 79 TYR CD2 C 13 132.917 . . . . . . A 79 TYR CD2 . 19942 1 838 . 1 1 79 79 TYR CE1 C 13 118.630 . . . . . . A 79 TYR CE1 . 19942 1 839 . 1 1 79 79 TYR CE2 C 13 118.630 . . . . . . A 79 TYR CE2 . 19942 1 840 . 1 1 79 79 TYR N N 15 127.950 . . . . . . A 79 TYR N . 19942 1 841 . 1 1 80 80 GLY H H 1 8.786 . . . . . . A 80 GLY H . 19942 1 842 . 1 1 80 80 GLY HA2 H 1 3.828 . . . . . . A 80 GLY HA2 . 19942 1 843 . 1 1 80 80 GLY HA3 H 1 3.454 . . . . . . A 80 GLY HA3 . 19942 1 844 . 1 1 80 80 GLY C C 13 174.902 . . . . . . A 80 GLY C . 19942 1 845 . 1 1 80 80 GLY CA C 13 46.869 . . . . . . A 80 GLY CA . 19942 1 846 . 1 1 80 80 GLY N N 15 118.393 . . . . . . A 80 GLY N . 19942 1 847 . 1 1 81 81 SER H H 1 7.878 . . . . . . A 81 SER H . 19942 1 848 . 1 1 81 81 SER HA H 1 4.348 . . . . . . A 81 SER HA . 19942 1 849 . 1 1 81 81 SER HB2 H 1 4.019 . . . . . . A 81 SER HB2 . 19942 1 850 . 1 1 81 81 SER HB3 H 1 3.840 . . . . . . A 81 SER HB3 . 19942 1 851 . 1 1 81 81 SER C C 13 173.279 . . . . . . A 81 SER C . 19942 1 852 . 1 1 81 81 SER CA C 13 58.658 . . . . . . A 81 SER CA . 19942 1 853 . 1 1 81 81 SER CB C 13 63.490 . . . . . . A 81 SER CB . 19942 1 854 . 1 1 81 81 SER N N 15 113.872 . . . . . . A 81 SER N . 19942 1 855 . 1 1 82 82 VAL H H 1 7.845 . . . . . . A 82 VAL H . 19942 1 856 . 1 1 82 82 VAL HA H 1 4.249 . . . . . . A 82 VAL HA . 19942 1 857 . 1 1 82 82 VAL HB H 1 1.997 . . . . . . A 82 VAL HB . 19942 1 858 . 1 1 82 82 VAL HG11 H 1 0.808 . . . . . . A 82 VAL HG11 . 19942 1 859 . 1 1 82 82 VAL HG12 H 1 0.808 . . . . . . A 82 VAL HG12 . 19942 1 860 . 1 1 82 82 VAL HG13 H 1 0.808 . . . . . . A 82 VAL HG13 . 19942 1 861 . 1 1 82 82 VAL HG21 H 1 0.691 . . . . . . A 82 VAL HG21 . 19942 1 862 . 1 1 82 82 VAL HG22 H 1 0.691 . . . . . . A 82 VAL HG22 . 19942 1 863 . 1 1 82 82 VAL HG23 H 1 0.691 . . . . . . A 82 VAL HG23 . 19942 1 864 . 1 1 82 82 VAL C C 13 173.455 . . . . . . A 82 VAL C . 19942 1 865 . 1 1 82 82 VAL CA C 13 61.652 . . . . . . A 82 VAL CA . 19942 1 866 . 1 1 82 82 VAL CB C 13 33.466 . . . . . . A 82 VAL CB . 19942 1 867 . 1 1 82 82 VAL CG1 C 13 21.270 . . . . . . A 82 VAL CG1 . 19942 1 868 . 1 1 82 82 VAL CG2 C 13 21.904 . . . . . . A 82 VAL CG2 . 19942 1 869 . 1 1 82 82 VAL N N 15 124.320 . . . . . . A 82 VAL N . 19942 1 870 . 1 1 83 83 SER H H 1 8.549 . . . . . . A 83 SER H . 19942 1 871 . 1 1 83 83 SER HA H 1 5.507 . . . . . . A 83 SER HA . 19942 1 872 . 1 1 83 83 SER HB2 H 1 3.575 . . . . . . A 83 SER HB2 . 19942 1 873 . 1 1 83 83 SER HB3 H 1 3.575 . . . . . . A 83 SER HB3 . 19942 1 874 . 1 1 83 83 SER C C 13 173.841 . . . . . . A 83 SER C . 19942 1 875 . 1 1 83 83 SER CA C 13 56.624 . . . . . . A 83 SER CA . 19942 1 876 . 1 1 83 83 SER CB C 13 66.733 . . . . . . A 83 SER CB . 19942 1 877 . 1 1 83 83 SER N N 15 119.056 . . . . . . A 83 SER N . 19942 1 878 . 1 1 84 84 GLY H H 1 8.957 . . . . . . A 84 GLY H . 19942 1 879 . 1 1 84 84 GLY HA2 H 1 4.685 . . . . . . A 84 GLY HA2 . 19942 1 880 . 1 1 84 84 GLY HA3 H 1 3.581 . . . . . . A 84 GLY HA3 . 19942 1 881 . 1 1 84 84 GLY C C 13 171.253 . . . . . . A 84 GLY C . 19942 1 882 . 1 1 84 84 GLY CA C 13 44.283 . . . . . . A 84 GLY CA . 19942 1 883 . 1 1 84 84 GLY N N 15 111.431 . . . . . . A 84 GLY N . 19942 1 884 . 1 1 85 85 ASN H H 1 8.752 . . . . . . A 85 ASN H . 19942 1 885 . 1 1 85 85 ASN HA H 1 5.899 . . . . . . A 85 ASN HA . 19942 1 886 . 1 1 85 85 ASN HB2 H 1 2.632 . . . . . . A 85 ASN HB2 . 19942 1 887 . 1 1 85 85 ASN HB3 H 1 2.531 . . . . . . A 85 ASN HB3 . 19942 1 888 . 1 1 85 85 ASN HD21 H 1 7.402 . . . . . . A 85 ASN HD21 . 19942 1 889 . 1 1 85 85 ASN HD22 H 1 6.837 . . . . . . A 85 ASN HD22 . 19942 1 890 . 1 1 85 85 ASN C C 13 174.553 . . . . . . A 85 ASN C . 19942 1 891 . 1 1 85 85 ASN CA C 13 52.794 . . . . . . A 85 ASN CA . 19942 1 892 . 1 1 85 85 ASN CB C 13 43.146 . . . . . . A 85 ASN CB . 19942 1 893 . 1 1 85 85 ASN N N 15 114.909 . . . . . . A 85 ASN N . 19942 1 894 . 1 1 85 85 ASN ND2 N 15 114.862 . . . . . . A 85 ASN ND2 . 19942 1 895 . 1 1 86 86 THR H H 1 8.922 . . . . . . A 86 THR H . 19942 1 896 . 1 1 86 86 THR HA H 1 4.677 . . . . . . A 86 THR HA . 19942 1 897 . 1 1 86 86 THR HB H 1 4.163 . . . . . . A 86 THR HB . 19942 1 898 . 1 1 86 86 THR HG21 H 1 1.212 . . . . . . A 86 THR HG21 . 19942 1 899 . 1 1 86 86 THR HG22 H 1 1.212 . . . . . . A 86 THR HG22 . 19942 1 900 . 1 1 86 86 THR HG23 H 1 1.212 . . . . . . A 86 THR HG23 . 19942 1 901 . 1 1 86 86 THR C C 13 170.890 . . . . . . A 86 THR C . 19942 1 902 . 1 1 86 86 THR CA C 13 61.715 . . . . . . A 86 THR CA . 19942 1 903 . 1 1 86 86 THR CB C 13 70.636 . . . . . . A 86 THR CB . 19942 1 904 . 1 1 86 86 THR CG2 C 13 19.784 . . . . . . A 86 THR CG2 . 19942 1 905 . 1 1 86 86 THR N N 15 114.501 . . . . . . A 86 THR N . 19942 1 906 . 1 1 87 87 ILE H H 1 8.020 . . . . . . A 87 ILE H . 19942 1 907 . 1 1 87 87 ILE HA H 1 4.542 . . . . . . A 87 ILE HA . 19942 1 908 . 1 1 87 87 ILE HB H 1 1.746 . . . . . . A 87 ILE HB . 19942 1 909 . 1 1 87 87 ILE HG12 H 1 1.164 . . . . . . A 87 ILE HG12 . 19942 1 910 . 1 1 87 87 ILE HG13 H 1 1.164 . . . . . . A 87 ILE HG13 . 19942 1 911 . 1 1 87 87 ILE HG21 H 1 0.829 . . . . . . A 87 ILE HG21 . 19942 1 912 . 1 1 87 87 ILE HG22 H 1 0.829 . . . . . . A 87 ILE HG22 . 19942 1 913 . 1 1 87 87 ILE HG23 H 1 0.829 . . . . . . A 87 ILE HG23 . 19942 1 914 . 1 1 87 87 ILE HD11 H 1 0.725 . . . . . . A 87 ILE HD11 . 19942 1 915 . 1 1 87 87 ILE HD12 H 1 0.725 . . . . . . A 87 ILE HD12 . 19942 1 916 . 1 1 87 87 ILE HD13 H 1 0.725 . . . . . . A 87 ILE HD13 . 19942 1 917 . 1 1 87 87 ILE C C 13 175.495 . . . . . . A 87 ILE C . 19942 1 918 . 1 1 87 87 ILE CA C 13 61.243 . . . . . . A 87 ILE CA . 19942 1 919 . 1 1 87 87 ILE CB C 13 39.423 . . . . . . A 87 ILE CB . 19942 1 920 . 1 1 87 87 ILE CG1 C 13 27.981 . . . . . . A 87 ILE CG1 . 19942 1 921 . 1 1 87 87 ILE CG2 C 13 17.446 . . . . . . A 87 ILE CG2 . 19942 1 922 . 1 1 87 87 ILE CD1 C 13 13.066 . . . . . . A 87 ILE CD1 . 19942 1 923 . 1 1 87 87 ILE N N 15 125.857 . . . . . . A 87 ILE N . 19942 1 924 . 1 1 88 88 LEU H H 1 8.797 . . . . . . A 88 LEU H . 19942 1 925 . 1 1 88 88 LEU HA H 1 4.683 . . . . . . A 88 LEU HA . 19942 1 926 . 1 1 88 88 LEU HB2 H 1 1.590 . . . . . . A 88 LEU HB2 . 19942 1 927 . 1 1 88 88 LEU HB3 H 1 1.590 . . . . . . A 88 LEU HB3 . 19942 1 928 . 1 1 88 88 LEU HD11 H 1 1.387 . . . . . . A 88 LEU HD11 . 19942 1 929 . 1 1 88 88 LEU HD12 H 1 1.387 . . . . . . A 88 LEU HD12 . 19942 1 930 . 1 1 88 88 LEU HD13 H 1 1.387 . . . . . . A 88 LEU HD13 . 19942 1 931 . 1 1 88 88 LEU HD21 H 1 1.387 . . . . . . A 88 LEU HD21 . 19942 1 932 . 1 1 88 88 LEU HD22 H 1 1.387 . . . . . . A 88 LEU HD22 . 19942 1 933 . 1 1 88 88 LEU HD23 H 1 1.387 . . . . . . A 88 LEU HD23 . 19942 1 934 . 1 1 88 88 LEU C C 13 174.979 . . . . . . A 88 LEU C . 19942 1 935 . 1 1 88 88 LEU CA C 13 53.738 . . . . . . A 88 LEU CA . 19942 1 936 . 1 1 88 88 LEU CB C 13 45.636 . . . . . . A 88 LEU CB . 19942 1 937 . 1 1 88 88 LEU CG C 13 26.431 . . . . . . A 88 LEU CG . 19942 1 938 . 1 1 88 88 LEU CD1 C 13 25.364 . . . . . . A 88 LEU CD1 . 19942 1 939 . 1 1 88 88 LEU CD2 C 13 19.592 . . . . . . A 88 LEU CD2 . 19942 1 940 . 1 1 88 88 LEU N N 15 129.304 . . . . . . A 88 LEU N . 19942 1 941 . 1 1 89 89 THR H H 1 7.882 . . . . . . A 89 THR H . 19942 1 942 . 1 1 89 89 THR HA H 1 4.749 . . . . . . A 89 THR HA . 19942 1 943 . 1 1 89 89 THR HB H 1 3.982 . . . . . . A 89 THR HB . 19942 1 944 . 1 1 89 89 THR HG21 H 1 1.109 . . . . . . A 89 THR HG21 . 19942 1 945 . 1 1 89 89 THR HG22 H 1 1.109 . . . . . . A 89 THR HG22 . 19942 1 946 . 1 1 89 89 THR HG23 H 1 1.109 . . . . . . A 89 THR HG23 . 19942 1 947 . 1 1 89 89 THR C C 13 173.269 . . . . . . A 89 THR C . 19942 1 948 . 1 1 89 89 THR CA C 13 62.794 . . . . . . A 89 THR CA . 19942 1 949 . 1 1 89 89 THR CB C 13 70.202 . . . . . . A 89 THR CB . 19942 1 950 . 1 1 89 89 THR CG2 C 13 22.000 . . . . . . A 89 THR CG2 . 19942 1 951 . 1 1 89 89 THR N N 15 117.751 . . . . . . A 89 THR N . 19942 1 952 . 1 1 90 90 VAL H H 1 9.139 . . . . . . A 90 VAL H . 19942 1 953 . 1 1 90 90 VAL HA H 1 4.837 . . . . . . A 90 VAL HA . 19942 1 954 . 1 1 90 90 VAL HB H 1 2.194 . . . . . . A 90 VAL HB . 19942 1 955 . 1 1 90 90 VAL HG11 H 1 0.695 . . . . . . A 90 VAL HG11 . 19942 1 956 . 1 1 90 90 VAL HG12 H 1 0.695 . . . . . . A 90 VAL HG12 . 19942 1 957 . 1 1 90 90 VAL HG13 H 1 0.695 . . . . . . A 90 VAL HG13 . 19942 1 958 . 1 1 90 90 VAL HG21 H 1 0.554 . . . . . . A 90 VAL HG21 . 19942 1 959 . 1 1 90 90 VAL HG22 H 1 0.554 . . . . . . A 90 VAL HG22 . 19942 1 960 . 1 1 90 90 VAL HG23 H 1 0.554 . . . . . . A 90 VAL HG23 . 19942 1 961 . 1 1 90 90 VAL C C 13 176.460 . . . . . . A 90 VAL C . 19942 1 962 . 1 1 90 90 VAL CA C 13 60.411 . . . . . . A 90 VAL CA . 19942 1 963 . 1 1 90 90 VAL CB C 13 31.659 . . . . . . A 90 VAL CB . 19942 1 964 . 1 1 90 90 VAL CG1 C 13 20.095 . . . . . . A 90 VAL CG1 . 19942 1 965 . 1 1 90 90 VAL CG2 C 13 22.243 . . . . . . A 90 VAL CG2 . 19942 1 966 . 1 1 90 90 VAL N N 15 127.485 . . . . . . A 90 VAL N . 19942 1 967 . 1 1 91 91 ASN H H 1 8.992 . . . . . . A 91 ASN H . 19942 1 968 . 1 1 91 91 ASN HA H 1 4.839 . . . . . . A 91 ASN HA . 19942 1 969 . 1 1 91 91 ASN HB2 H 1 2.717 . . . . . . A 91 ASN HB2 . 19942 1 970 . 1 1 91 91 ASN HB3 H 1 2.717 . . . . . . A 91 ASN HB3 . 19942 1 971 . 1 1 91 91 ASN C C 13 174.311 . . . . . . A 91 ASN C . 19942 1 972 . 1 1 91 91 ASN CA C 13 52.779 . . . . . . A 91 ASN CA . 19942 1 973 . 1 1 91 91 ASN CB C 13 40.777 . . . . . . A 91 ASN CB . 19942 1 974 . 1 1 91 91 ASN N N 15 126.674 . . . . . . A 91 ASN N . 19942 1 975 . 1 1 92 92 LYS H H 1 8.556 . . . . . . A 92 LYS H . 19942 1 976 . 1 1 92 92 LYS HA H 1 4.418 . . . . . . A 92 LYS HA . 19942 1 977 . 1 1 92 92 LYS HB2 H 1 1.857 . . . . . . A 92 LYS HB2 . 19942 1 978 . 1 1 92 92 LYS HB3 H 1 1.857 . . . . . . A 92 LYS HB3 . 19942 1 979 . 1 1 92 92 LYS HG2 H 1 1.449 . . . . . . A 92 LYS HG2 . 19942 1 980 . 1 1 92 92 LYS HG3 H 1 1.449 . . . . . . A 92 LYS HG3 . 19942 1 981 . 1 1 92 92 LYS HD2 H 1 1.717 . . . . . . A 92 LYS HD2 . 19942 1 982 . 1 1 92 92 LYS HD3 H 1 1.717 . . . . . . A 92 LYS HD3 . 19942 1 983 . 1 1 92 92 LYS HE2 H 1 3.003 . . . . . . A 92 LYS HE2 . 19942 1 984 . 1 1 92 92 LYS HE3 H 1 3.003 . . . . . . A 92 LYS HE3 . 19942 1 985 . 1 1 92 92 LYS C C 13 176.757 . . . . . . A 92 LYS C . 19942 1 986 . 1 1 92 92 LYS CA C 13 56.470 . . . . . . A 92 LYS CA . 19942 1 987 . 1 1 92 92 LYS CB C 13 33.302 . . . . . . A 92 LYS CB . 19942 1 988 . 1 1 92 92 LYS CG C 13 24.867 . . . . . . A 92 LYS CG . 19942 1 989 . 1 1 92 92 LYS CD C 13 29.245 . . . . . . A 92 LYS CD . 19942 1 990 . 1 1 92 92 LYS CE C 13 42.218 . . . . . . A 92 LYS CE . 19942 1 991 . 1 1 92 92 LYS N N 15 122.622 . . . . . . A 92 LYS N . 19942 1 992 . 1 1 93 93 THR H H 1 8.439 . . . . . . A 93 THR H . 19942 1 993 . 1 1 93 93 THR HA H 1 4.315 . . . . . . A 93 THR HA . 19942 1 994 . 1 1 93 93 THR HB H 1 4.174 . . . . . . A 93 THR HB . 19942 1 995 . 1 1 93 93 THR HG21 H 1 1.195 . . . . . . A 93 THR HG21 . 19942 1 996 . 1 1 93 93 THR HG22 H 1 1.195 . . . . . . A 93 THR HG22 . 19942 1 997 . 1 1 93 93 THR HG23 H 1 1.195 . . . . . . A 93 THR HG23 . 19942 1 998 . 1 1 93 93 THR C C 13 174.018 . . . . . . A 93 THR C . 19942 1 999 . 1 1 93 93 THR CA C 13 62.060 . . . . . . A 93 THR CA . 19942 1 1000 . 1 1 93 93 THR CB C 13 69.715 . . . . . . A 93 THR CB . 19942 1 1001 . 1 1 93 93 THR CG2 C 13 22.601 . . . . . . A 93 THR CG2 . 19942 1 1002 . 1 1 93 93 THR N N 15 119.358 . . . . . . A 93 THR N . 19942 1 1003 . 1 1 94 94 ASP H H 1 8.583 . . . . . . A 94 ASP H . 19942 1 1004 . 1 1 94 94 ASP HA H 1 4.665 . . . . . . A 94 ASP HA . 19942 1 1005 . 1 1 94 94 ASP HB2 H 1 2.720 . . . . . . A 94 ASP HB2 . 19942 1 1006 . 1 1 94 94 ASP HB3 H 1 2.626 . . . . . . A 94 ASP HB3 . 19942 1 1007 . 1 1 94 94 ASP C C 13 175.464 . . . . . . A 94 ASP C . 19942 1 1008 . 1 1 94 94 ASP CA C 13 54.515 . . . . . . A 94 ASP CA . 19942 1 1009 . 1 1 94 94 ASP CB C 13 41.117 . . . . . . A 94 ASP CB . 19942 1 1010 . 1 1 94 94 ASP N N 15 124.142 . . . . . . A 94 ASP N . 19942 1 1011 . 1 1 95 95 THR H H 1 7.821 . . . . . . A 95 THR H . 19942 1 1012 . 1 1 95 95 THR HA H 1 4.083 . . . . . . A 95 THR HA . 19942 1 1013 . 1 1 95 95 THR HB H 1 4.213 . . . . . . A 95 THR HB . 19942 1 1014 . 1 1 95 95 THR HG21 H 1 1.144 . . . . . . A 95 THR HG21 . 19942 1 1015 . 1 1 95 95 THR HG22 H 1 1.144 . . . . . . A 95 THR HG22 . 19942 1 1016 . 1 1 95 95 THR HG23 H 1 1.144 . . . . . . A 95 THR HG23 . 19942 1 1017 . 1 1 95 95 THR C C 13 179.233 . . . . . . A 95 THR C . 19942 1 1018 . 1 1 95 95 THR CA C 13 63.216 . . . . . . A 95 THR CA . 19942 1 1019 . 1 1 95 95 THR CB C 13 70.582 . . . . . . A 95 THR CB . 19942 1 1020 . 1 1 95 95 THR N N 15 119.111 . . . . . . A 95 THR N . 19942 1 stop_ save_