data_19783 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19783 _Entry.Title ; Solution structure of the fourth constant immunoglobulin domain of nurse shark IgNAR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-02-10 _Entry.Accession_date 2014-02-10 _Entry.Last_release_date 2014-06-30 _Entry.Original_release_date 2014-06-30 _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 Janosch Hennig . . . 19783 2 Michael Sattler . . . 19783 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' . 19783 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Ig domain' . 19783 IgNAR . 19783 Protein . 19783 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19783 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 394 19783 '15N chemical shifts' 97 19783 '1H chemical shifts' 704 19783 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 . . 2014-06-30 2014-02-10 original author . 19783 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2mkl 'BMRB Entry Tracking System' 19783 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19783 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24830426 _Citation.Full_citation . _Citation.Title 'The structural analysis of shark IgNAR antibodies reveals evolutionary principles of immunoglobulins' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume 111 _Citation.Journal_issue 22 _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 8155 _Citation.Page_last 8160 _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 Matthias Feige . J. . 19783 1 2 Melissa Griwert . A. . 19783 1 3 Moritz Marcinowski . . . 19783 1 4 Janosch Hennig . . . 19783 1 5 Julia Behnke . . . 19783 1 6 David Auslinder . . . 19783 1 7 Eva Herold . M. . 19783 1 8 Jirka Peschek . . . 19783 1 9 Caitlin Castro . D. . 19783 1 10 Martin Flajnik . F. . 19783 1 11 Linda Hendershot . M. . 19783 1 12 Michael Sattler . . . 19783 1 13 Michael Groll . . . 19783 1 14 Johannes Buchner . . . 19783 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19783 _Assembly.ID 1 _Assembly.Name 'fourth constant immunoglobulin domain of nurse shark IgNAR' _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 'Fourth counstant immunoglobulin domain of IgNAR' 1 $entity A . yes native no no . . . 19783 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 29 29 SG . 1 . 1 CYS 87 87 SG . . . . . . . . . . 19783 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19783 _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 ; MGRQTDISVSLLKPPFEEIW TQQTATIVCEIVYSDLENIK VFWQVNGVERKKGVETQNPE WSGSKSTIVSKLKVMASEWD SGTEYVCLVEDSELPTPVKA SIRKA ; _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 105 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disfulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11832.534 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MKL . "Solution Structure Of The Fourth Constant Immunoglobulin Domain Of Nurse Shark Ignar" . . . . . 100.00 105 100.00 100.00 2.15e-68 . . . . 19783 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 . MET . 19783 1 2 . GLY . 19783 1 3 . ARG . 19783 1 4 . GLN . 19783 1 5 . THR . 19783 1 6 . ASP . 19783 1 7 . ILE . 19783 1 8 . SER . 19783 1 9 . VAL . 19783 1 10 . SER . 19783 1 11 . LEU . 19783 1 12 . LEU . 19783 1 13 . LYS . 19783 1 14 . PRO . 19783 1 15 . PRO . 19783 1 16 . PHE . 19783 1 17 . GLU . 19783 1 18 . GLU . 19783 1 19 . ILE . 19783 1 20 . TRP . 19783 1 21 . THR . 19783 1 22 . GLN . 19783 1 23 . GLN . 19783 1 24 . THR . 19783 1 25 . ALA . 19783 1 26 . THR . 19783 1 27 . ILE . 19783 1 28 . VAL . 19783 1 29 . CYS . 19783 1 30 . GLU . 19783 1 31 . ILE . 19783 1 32 . VAL . 19783 1 33 . TYR . 19783 1 34 . SER . 19783 1 35 . ASP . 19783 1 36 . LEU . 19783 1 37 . GLU . 19783 1 38 . ASN . 19783 1 39 . ILE . 19783 1 40 . LYS . 19783 1 41 . VAL . 19783 1 42 . PHE . 19783 1 43 . TRP . 19783 1 44 . GLN . 19783 1 45 . VAL . 19783 1 46 . ASN . 19783 1 47 . GLY . 19783 1 48 . VAL . 19783 1 49 . GLU . 19783 1 50 . ARG . 19783 1 51 . LYS . 19783 1 52 . LYS . 19783 1 53 . GLY . 19783 1 54 . VAL . 19783 1 55 . GLU . 19783 1 56 . THR . 19783 1 57 . GLN . 19783 1 58 . ASN . 19783 1 59 . PRO . 19783 1 60 . GLU . 19783 1 61 . TRP . 19783 1 62 . SER . 19783 1 63 . GLY . 19783 1 64 . SER . 19783 1 65 . LYS . 19783 1 66 . SER . 19783 1 67 . THR . 19783 1 68 . ILE . 19783 1 69 . VAL . 19783 1 70 . SER . 19783 1 71 . LYS . 19783 1 72 . LEU . 19783 1 73 . LYS . 19783 1 74 . VAL . 19783 1 75 . MET . 19783 1 76 . ALA . 19783 1 77 . SER . 19783 1 78 . GLU . 19783 1 79 . TRP . 19783 1 80 . ASP . 19783 1 81 . SER . 19783 1 82 . GLY . 19783 1 83 . THR . 19783 1 84 . GLU . 19783 1 85 . TYR . 19783 1 86 . VAL . 19783 1 87 . CYS . 19783 1 88 . LEU . 19783 1 89 . VAL . 19783 1 90 . GLU . 19783 1 91 . ASP . 19783 1 92 . SER . 19783 1 93 . GLU . 19783 1 94 . LEU . 19783 1 95 . PRO . 19783 1 96 . THR . 19783 1 97 . PRO . 19783 1 98 . VAL . 19783 1 99 . LYS . 19783 1 100 . ALA . 19783 1 101 . SER . 19783 1 102 . ILE . 19783 1 103 . ARG . 19783 1 104 . LYS . 19783 1 105 . ALA . 19783 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 19783 1 . GLY 2 2 19783 1 . ARG 3 3 19783 1 . GLN 4 4 19783 1 . THR 5 5 19783 1 . ASP 6 6 19783 1 . ILE 7 7 19783 1 . SER 8 8 19783 1 . VAL 9 9 19783 1 . SER 10 10 19783 1 . LEU 11 11 19783 1 . LEU 12 12 19783 1 . LYS 13 13 19783 1 . PRO 14 14 19783 1 . PRO 15 15 19783 1 . PHE 16 16 19783 1 . GLU 17 17 19783 1 . GLU 18 18 19783 1 . ILE 19 19 19783 1 . TRP 20 20 19783 1 . THR 21 21 19783 1 . GLN 22 22 19783 1 . GLN 23 23 19783 1 . THR 24 24 19783 1 . ALA 25 25 19783 1 . THR 26 26 19783 1 . ILE 27 27 19783 1 . VAL 28 28 19783 1 . CYS 29 29 19783 1 . GLU 30 30 19783 1 . ILE 31 31 19783 1 . VAL 32 32 19783 1 . TYR 33 33 19783 1 . SER 34 34 19783 1 . ASP 35 35 19783 1 . LEU 36 36 19783 1 . GLU 37 37 19783 1 . ASN 38 38 19783 1 . ILE 39 39 19783 1 . LYS 40 40 19783 1 . VAL 41 41 19783 1 . PHE 42 42 19783 1 . TRP 43 43 19783 1 . GLN 44 44 19783 1 . VAL 45 45 19783 1 . ASN 46 46 19783 1 . GLY 47 47 19783 1 . VAL 48 48 19783 1 . GLU 49 49 19783 1 . ARG 50 50 19783 1 . LYS 51 51 19783 1 . LYS 52 52 19783 1 . GLY 53 53 19783 1 . VAL 54 54 19783 1 . GLU 55 55 19783 1 . THR 56 56 19783 1 . GLN 57 57 19783 1 . ASN 58 58 19783 1 . PRO 59 59 19783 1 . GLU 60 60 19783 1 . TRP 61 61 19783 1 . SER 62 62 19783 1 . GLY 63 63 19783 1 . SER 64 64 19783 1 . LYS 65 65 19783 1 . SER 66 66 19783 1 . THR 67 67 19783 1 . ILE 68 68 19783 1 . VAL 69 69 19783 1 . SER 70 70 19783 1 . LYS 71 71 19783 1 . LEU 72 72 19783 1 . LYS 73 73 19783 1 . VAL 74 74 19783 1 . MET 75 75 19783 1 . ALA 76 76 19783 1 . SER 77 77 19783 1 . GLU 78 78 19783 1 . TRP 79 79 19783 1 . ASP 80 80 19783 1 . SER 81 81 19783 1 . GLY 82 82 19783 1 . THR 83 83 19783 1 . GLU 84 84 19783 1 . TYR 85 85 19783 1 . VAL 86 86 19783 1 . CYS 87 87 19783 1 . LEU 88 88 19783 1 . VAL 89 89 19783 1 . GLU 90 90 19783 1 . ASP 91 91 19783 1 . SER 92 92 19783 1 . GLU 93 93 19783 1 . LEU 94 94 19783 1 . PRO 95 95 19783 1 . THR 96 96 19783 1 . PRO 97 97 19783 1 . VAL 98 98 19783 1 . LYS 99 99 19783 1 . ALA 100 100 19783 1 . SER 101 101 19783 1 . ILE 102 102 19783 1 . ARG 103 103 19783 1 . LYS 104 104 19783 1 . ALA 105 105 19783 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 19783 _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 . 7801 organism . 'Ginglymostoma cirratum' 'Nurse shark' . . Eukaryota Metazoa Ginglymostoma cirratum . . . . . . . . . . . . . . . . . . . . . 19783 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 19783 _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 'BL21 star DE3' . . . . . . . . . . . . . . . pET28a . . . . . . 19783 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19783 _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 'Fourth counstant immunoglobulin domain of IgNAR' '[U-100% 13C; U-100% 15N]' . . 1 $entity . . . 300 500 uM . . . . 19783 1 2 'sodium chloride' 'natural abundance' . . . . . . 137 . . mM . . . . 19783 1 3 'potassium chloride' 'natural abundance' . . . . . . 2.7 . . mM . . . . 19783 1 4 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 19783 1 5 'potassium phosphate' 'natural abundance' . . . . . . 2 . . mM . . . . 19783 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 19783 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19783 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19783 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19783 _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 'Fourth counstant immunoglobulin domain of IgNAR' '[U-10% 13C]' . . 1 $entity . . . 300 500 uM . . . . 19783 2 2 'sodium chloride' 'natural abundance' . . . . . . 137 . . mM . . . . 19783 2 3 'potassium chloride' 'natural abundance' . . . . . . 2.7 . . mM . . . . 19783 2 4 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 19783 2 5 'potassium phosphate' 'natural abundance' . . . . . . 2 . . mM . . . . 19783 2 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 19783 2 7 'sodium azide' 'natural abundance' . . . . . . 90 . . % . . . . 19783 2 8 'sodium azide' 'natural abundance' . . . . . . 10 . . % . . . . 19783 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19783 _Sample.ID 3 _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 'Fourth counstant immunoglobulin domain of IgNAR' '[U-100% 13C; U-100% 15N]' . . 1 $entity . . . 300 500 uM . . . . 19783 3 2 'sodium chloride' 'natural abundance' . . . . . . 137 . . mM . . . . 19783 3 3 'potassium chloride' 'natural abundance' . . . . . . 2.7 . . mM . . . . 19783 3 4 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 19783 3 5 'potassium phosphate' 'natural abundance' . . . . . . 2 . . mM . . . . 19783 3 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 19783 3 7 'Pf1 phage' 'natural abundance' . . . . . . 10 . . mg/mL . . . . 19783 3 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19783 3 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19783 3 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 19783 _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 pH 7.4 . pH 19783 1 pressure 1 . atm 19783 1 temperature 298 . K 19783 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19783 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 19783 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19783 1 'peak picking' 19783 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19783 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19783 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19783 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19783 _Software.ID 3 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19783 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 19783 3 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 19783 _Software.ID 4 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 19783 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'water refinement' 19783 4 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 19783 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19783 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19783 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 19783 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 19783 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 19783 1 2 spectrometer_2 Bruker Avance . 750 . . . 19783 1 3 spectrometer_3 Bruker Avance . 800 . . . 19783 1 4 spectrometer_4 Bruker Avance . 900 . . . 19783 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 19783 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19783 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19783 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 19783 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19783 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19783 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19783 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19783 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19783 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19783 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19783 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19783 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 19783 1 13 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19783 1 14 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19783 1 15 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19783 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 19783 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19783 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19783 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19783 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 19783 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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' 1 $sample_1 . 19783 1 2 '2D 1H-13C HSQC aliphatic' 1 $sample_1 . 19783 1 3 '2D 1H-13C HSQC aromatic' 1 $sample_1 . 19783 1 4 '3D CBCA(CO)NH' 1 $sample_1 . 19783 1 5 '3D HNCO' 1 $sample_1 . 19783 1 6 '3D HNCA' 1 $sample_1 . 19783 1 7 '3D HNCACB' 1 $sample_1 . 19783 1 8 '3D HBHA(CO)NH' 1 $sample_1 . 19783 1 9 '3D HCCH-TOCSY' 1 $sample_1 . 19783 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CARA . . 19783 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 2 2 GLY HA2 H 1 3.821 0.020 . 2 . . . C 2 GLY HA2 . 19783 1 2 . 1 1 2 2 GLY HA3 H 1 3.799 0.020 . 2 . . . C 2 GLY HA3 . 19783 1 3 . 1 1 2 2 GLY CA C 13 43.533 0.3 . 1 . . . C 2 GLY CA . 19783 1 4 . 1 1 3 3 ARG HA H 1 4.368 0.020 . 1 . . . C 3 ARG HA . 19783 1 5 . 1 1 3 3 ARG HB2 H 1 1.751 0.020 . 2 . . . C 3 ARG HB2 . 19783 1 6 . 1 1 3 3 ARG HB3 H 1 1.751 0.020 . 2 . . . C 3 ARG HB3 . 19783 1 7 . 1 1 3 3 ARG HG2 H 1 1.737 0.020 . 2 . . . C 3 ARG HG2 . 19783 1 8 . 1 1 3 3 ARG HG3 H 1 1.605 0.020 . 2 . . . C 3 ARG HG3 . 19783 1 9 . 1 1 3 3 ARG HD2 H 1 3.168 0.020 . 1 . . . C 3 ARG HD2 . 19783 1 10 . 1 1 3 3 ARG HD3 H 1 3.168 0.020 . 1 . . . C 3 ARG HD3 . 19783 1 11 . 1 1 3 3 ARG CA C 13 56.394 0.3 . 1 . . . C 3 ARG CA . 19783 1 12 . 1 1 3 3 ARG CB C 13 31.358 0.3 . 1 . . . C 3 ARG CB . 19783 1 13 . 1 1 3 3 ARG CG C 13 27.207 0.3 . 1 . . . C 3 ARG CG . 19783 1 14 . 1 1 3 3 ARG CD C 13 43.391 0.3 . 1 . . . C 3 ARG CD . 19783 1 15 . 1 1 4 4 GLN H H 1 8.899 0.020 . 1 . . . C 4 GLN H . 19783 1 16 . 1 1 4 4 GLN HA H 1 4.393 0.020 . 1 . . . C 4 GLN HA . 19783 1 17 . 1 1 4 4 GLN HB2 H 1 2.097 0.020 . 2 . . . C 4 GLN HB2 . 19783 1 18 . 1 1 4 4 GLN HB3 H 1 2.000 0.020 . 2 . . . C 4 GLN HB3 . 19783 1 19 . 1 1 4 4 GLN HG2 H 1 2.327 0.020 . 1 . . . C 4 GLN HG2 . 19783 1 20 . 1 1 4 4 GLN HG3 H 1 2.327 0.020 . 1 . . . C 4 GLN HG3 . 19783 1 21 . 1 1 4 4 GLN HE21 H 1 7.390 0.020 . 1 . . . C 4 GLN HE21 . 19783 1 22 . 1 1 4 4 GLN HE22 H 1 6.800 0.020 . 1 . . . C 4 GLN HE22 . 19783 1 23 . 1 1 4 4 GLN C C 13 175.843 0.3 . 1 . . . C 4 GLN C . 19783 1 24 . 1 1 4 4 GLN CA C 13 56.155 0.3 . 1 . . . C 4 GLN CA . 19783 1 25 . 1 1 4 4 GLN CB C 13 29.413 0.3 . 1 . . . C 4 GLN CB . 19783 1 26 . 1 1 4 4 GLN CG C 13 33.989 0.3 . 1 . . . C 4 GLN CG . 19783 1 27 . 1 1 4 4 GLN N N 15 122.771 0.3 . 1 . . . C 4 GLN N . 19783 1 28 . 1 1 4 4 GLN NE2 N 15 112.558 0.3 . 1 . . . C 4 GLN NE2 . 19783 1 29 . 1 1 5 5 THR H H 1 8.063 0.020 . 1 . . . C 5 THR H . 19783 1 30 . 1 1 5 5 THR HA H 1 4.276 0.020 . 1 . . . C 5 THR HA . 19783 1 31 . 1 1 5 5 THR HB H 1 4.116 0.020 . 1 . . . C 5 THR HB . 19783 1 32 . 1 1 5 5 THR HG21 H 1 1.183 0.020 . 1 . . . C 5 THR HG21 . 19783 1 33 . 1 1 5 5 THR HG22 H 1 1.183 0.020 . 1 . . . C 5 THR HG22 . 19783 1 34 . 1 1 5 5 THR HG23 H 1 1.183 0.020 . 1 . . . C 5 THR HG23 . 19783 1 35 . 1 1 5 5 THR C C 13 173.957 0.3 . 1 . . . C 5 THR C . 19783 1 36 . 1 1 5 5 THR CA C 13 62.295 0.3 . 1 . . . C 5 THR CA . 19783 1 37 . 1 1 5 5 THR CB C 13 69.957 0.3 . 1 . . . C 5 THR CB . 19783 1 38 . 1 1 5 5 THR CG2 C 13 22.045 0.3 . 1 . . . C 5 THR CG2 . 19783 1 39 . 1 1 5 5 THR N N 15 115.866 0.3 . 1 . . . C 5 THR N . 19783 1 40 . 1 1 6 6 ASP H H 1 8.499 0.020 . 1 . . . C 6 ASP H . 19783 1 41 . 1 1 6 6 ASP HA H 1 4.750 0.020 . 1 . . . C 6 ASP HA . 19783 1 42 . 1 1 6 6 ASP HB2 H 1 2.773 0.020 . 2 . . . C 6 ASP HB2 . 19783 1 43 . 1 1 6 6 ASP HB3 H 1 2.563 0.020 . 2 . . . C 6 ASP HB3 . 19783 1 44 . 1 1 6 6 ASP C C 13 174.159 0.3 . 1 . . . C 6 ASP C . 19783 1 45 . 1 1 6 6 ASP CA C 13 54.022 0.3 . 1 . . . C 6 ASP CA . 19783 1 46 . 1 1 6 6 ASP CB C 13 41.741 0.3 . 1 . . . C 6 ASP CB . 19783 1 47 . 1 1 6 6 ASP N N 15 124.653 0.3 . 1 . . . C 6 ASP N . 19783 1 48 . 1 1 7 7 ILE H H 1 7.799 0.020 . 1 . . . C 7 ILE H . 19783 1 49 . 1 1 7 7 ILE HA H 1 4.992 0.020 . 1 . . . C 7 ILE HA . 19783 1 50 . 1 1 7 7 ILE HB H 1 1.810 0.020 . 1 . . . C 7 ILE HB . 19783 1 51 . 1 1 7 7 ILE HG12 H 1 1.471 0.020 . 1 . . . C 7 ILE HG12 . 19783 1 52 . 1 1 7 7 ILE HG13 H 1 1.471 0.020 . 1 . . . C 7 ILE HG13 . 19783 1 53 . 1 1 7 7 ILE HG21 H 1 0.821 0.020 . 1 . . . C 7 ILE HG21 . 19783 1 54 . 1 1 7 7 ILE HG22 H 1 0.821 0.020 . 1 . . . C 7 ILE HG22 . 19783 1 55 . 1 1 7 7 ILE HG23 H 1 0.821 0.020 . 1 . . . C 7 ILE HG23 . 19783 1 56 . 1 1 7 7 ILE HD11 H 1 0.576 0.020 . 1 . . . C 7 ILE HD11 . 19783 1 57 . 1 1 7 7 ILE HD12 H 1 0.576 0.020 . 1 . . . C 7 ILE HD12 . 19783 1 58 . 1 1 7 7 ILE HD13 H 1 0.576 0.020 . 1 . . . C 7 ILE HD13 . 19783 1 59 . 1 1 7 7 ILE C C 13 173.334 0.3 . 1 . . . C 7 ILE C . 19783 1 60 . 1 1 7 7 ILE CA C 13 60.213 0.3 . 1 . . . C 7 ILE CA . 19783 1 61 . 1 1 7 7 ILE CB C 13 40.206 0.3 . 1 . . . C 7 ILE CB . 19783 1 62 . 1 1 7 7 ILE CG1 C 13 29.345 0.3 . 1 . . . C 7 ILE CG1 . 19783 1 63 . 1 1 7 7 ILE CG2 C 13 16.252 0.3 . 1 . . . C 7 ILE CG2 . 19783 1 64 . 1 1 7 7 ILE CD1 C 13 15.175 0.3 . 1 . . . C 7 ILE CD1 . 19783 1 65 . 1 1 7 7 ILE N N 15 119.741 0.3 . 1 . . . C 7 ILE N . 19783 1 66 . 1 1 8 8 SER H H 1 8.850 0.020 . 1 . . . C 8 SER H . 19783 1 67 . 1 1 8 8 SER HA H 1 4.694 0.020 . 1 . . . C 8 SER HA . 19783 1 68 . 1 1 8 8 SER HB2 H 1 3.718 0.020 . 1 . . . C 8 SER HB2 . 19783 1 69 . 1 1 8 8 SER HB3 H 1 3.718 0.020 . 1 . . . C 8 SER HB3 . 19783 1 70 . 1 1 8 8 SER C C 13 172.508 0.3 . 1 . . . C 8 SER C . 19783 1 71 . 1 1 8 8 SER CA C 13 56.801 0.3 . 1 . . . C 8 SER CA . 19783 1 72 . 1 1 8 8 SER CB C 13 65.356 0.3 . 1 . . . C 8 SER CB . 19783 1 73 . 1 1 8 8 SER N N 15 121.920 0.3 . 1 . . . C 8 SER N . 19783 1 74 . 1 1 9 9 VAL H H 1 8.452 0.020 . 1 . . . C 9 VAL H . 19783 1 75 . 1 1 9 9 VAL HA H 1 4.609 0.020 . 1 . . . C 9 VAL HA . 19783 1 76 . 1 1 9 9 VAL HB H 1 1.615 0.020 . 1 . . . C 9 VAL HB . 19783 1 77 . 1 1 9 9 VAL HG11 H 1 0.648 0.020 . 1 . . . C 9 VAL HG11 . 19783 1 78 . 1 1 9 9 VAL HG12 H 1 0.648 0.020 . 1 . . . C 9 VAL HG12 . 19783 1 79 . 1 1 9 9 VAL HG13 H 1 0.648 0.020 . 1 . . . C 9 VAL HG13 . 19783 1 80 . 1 1 9 9 VAL HG21 H 1 0.667 0.020 . 1 . . . C 9 VAL HG21 . 19783 1 81 . 1 1 9 9 VAL HG22 H 1 0.667 0.020 . 1 . . . C 9 VAL HG22 . 19783 1 82 . 1 1 9 9 VAL HG23 H 1 0.667 0.020 . 1 . . . C 9 VAL HG23 . 19783 1 83 . 1 1 9 9 VAL C C 13 174.647 0.3 . 1 . . . C 9 VAL C . 19783 1 84 . 1 1 9 9 VAL CA C 13 61.730 0.3 . 1 . . . C 9 VAL CA . 19783 1 85 . 1 1 9 9 VAL CB C 13 34.372 0.3 . 1 . . . C 9 VAL CB . 19783 1 86 . 1 1 9 9 VAL CG1 C 13 22.136 0.3 . 1 . . . C 9 VAL CG1 . 19783 1 87 . 1 1 9 9 VAL CG2 C 13 22.180 0.3 . 1 . . . C 9 VAL CG2 . 19783 1 88 . 1 1 9 9 VAL N N 15 125.845 0.3 . 1 . . . C 9 VAL N . 19783 1 89 . 1 1 10 10 SER H H 1 8.624 0.020 . 1 . . . C 10 SER H . 19783 1 90 . 1 1 10 10 SER HA H 1 4.725 0.020 . 1 . . . C 10 SER HA . 19783 1 91 . 1 1 10 10 SER HB2 H 1 3.771 0.020 . 2 . . . C 10 SER HB2 . 19783 1 92 . 1 1 10 10 SER HB3 H 1 3.700 0.020 . 2 . . . C 10 SER HB3 . 19783 1 93 . 1 1 10 10 SER C C 13 171.784 0.3 . 1 . . . C 10 SER C . 19783 1 94 . 1 1 10 10 SER CA C 13 57.060 0.3 . 1 . . . C 10 SER CA . 19783 1 95 . 1 1 10 10 SER CB C 13 65.764 0.3 . 1 . . . C 10 SER CB . 19783 1 96 . 1 1 10 10 SER N N 15 121.312 0.3 . 1 . . . C 10 SER N . 19783 1 97 . 1 1 11 11 LEU H H 1 8.443 0.020 . 1 . . . C 11 LEU H . 19783 1 98 . 1 1 11 11 LEU HA H 1 5.475 0.020 . 1 . . . C 11 LEU HA . 19783 1 99 . 1 1 11 11 LEU HB2 H 1 1.509 0.020 . 2 . . . C 11 LEU HB2 . 19783 1 100 . 1 1 11 11 LEU HB3 H 1 1.273 0.020 . 2 . . . C 11 LEU HB3 . 19783 1 101 . 1 1 11 11 LEU HG H 1 1.368 0.020 . 1 . . . C 11 LEU HG . 19783 1 102 . 1 1 11 11 LEU HD11 H 1 0.771 0.020 . 1 . . . C 11 LEU HD11 . 19783 1 103 . 1 1 11 11 LEU HD12 H 1 0.771 0.020 . 1 . . . C 11 LEU HD12 . 19783 1 104 . 1 1 11 11 LEU HD13 H 1 0.771 0.020 . 1 . . . C 11 LEU HD13 . 19783 1 105 . 1 1 11 11 LEU HD21 H 1 0.906 0.020 . 1 . . . C 11 LEU HD21 . 19783 1 106 . 1 1 11 11 LEU HD22 H 1 0.906 0.020 . 1 . . . C 11 LEU HD22 . 19783 1 107 . 1 1 11 11 LEU HD23 H 1 0.906 0.020 . 1 . . . C 11 LEU HD23 . 19783 1 108 . 1 1 11 11 LEU C C 13 175.894 0.3 . 1 . . . C 11 LEU C . 19783 1 109 . 1 1 11 11 LEU CA C 13 53.556 0.3 . 1 . . . C 11 LEU CA . 19783 1 110 . 1 1 11 11 LEU CB C 13 46.405 0.3 . 1 . . . C 11 LEU CB . 19783 1 111 . 1 1 11 11 LEU CG C 13 27.873 0.3 . 1 . . . C 11 LEU CG . 19783 1 112 . 1 1 11 11 LEU CD1 C 13 26.112 0.3 . 1 . . . C 11 LEU CD1 . 19783 1 113 . 1 1 11 11 LEU CD2 C 13 26.798 0.3 . 1 . . . C 11 LEU CD2 . 19783 1 114 . 1 1 11 11 LEU N N 15 124.101 0.3 . 1 . . . C 11 LEU N . 19783 1 115 . 1 1 12 12 LEU H H 1 8.977 0.020 . 1 . . . C 12 LEU H . 19783 1 116 . 1 1 12 12 LEU HA H 1 4.579 0.020 . 1 . . . C 12 LEU HA . 19783 1 117 . 1 1 12 12 LEU HB2 H 1 1.596 0.020 . 2 . . . C 12 LEU HB2 . 19783 1 118 . 1 1 12 12 LEU HB3 H 1 1.510 0.020 . 2 . . . C 12 LEU HB3 . 19783 1 119 . 1 1 12 12 LEU HG H 1 1.550 0.020 . 1 . . . C 12 LEU HG . 19783 1 120 . 1 1 12 12 LEU HD11 H 1 0.772 0.020 . 1 . . . C 12 LEU HD11 . 19783 1 121 . 1 1 12 12 LEU HD12 H 1 0.772 0.020 . 1 . . . C 12 LEU HD12 . 19783 1 122 . 1 1 12 12 LEU HD13 H 1 0.772 0.020 . 1 . . . C 12 LEU HD13 . 19783 1 123 . 1 1 12 12 LEU HD21 H 1 0.770 0.020 . 1 . . . C 12 LEU HD21 . 19783 1 124 . 1 1 12 12 LEU HD22 H 1 0.770 0.020 . 1 . . . C 12 LEU HD22 . 19783 1 125 . 1 1 12 12 LEU HD23 H 1 0.770 0.020 . 1 . . . C 12 LEU HD23 . 19783 1 126 . 1 1 12 12 LEU C C 13 175.708 0.3 . 1 . . . C 12 LEU C . 19783 1 127 . 1 1 12 12 LEU CA C 13 53.664 0.3 . 1 . . . C 12 LEU CA . 19783 1 128 . 1 1 12 12 LEU CB C 13 43.727 0.3 . 1 . . . C 12 LEU CB . 19783 1 129 . 1 1 12 12 LEU CG C 13 27.549 0.3 . 1 . . . C 12 LEU CG . 19783 1 130 . 1 1 12 12 LEU CD1 C 13 24.521 0.3 . 1 . . . C 12 LEU CD1 . 19783 1 131 . 1 1 12 12 LEU CD2 C 13 24.120 0.3 . 1 . . . C 12 LEU CD2 . 19783 1 132 . 1 1 12 12 LEU N N 15 124.363 0.3 . 1 . . . C 12 LEU N . 19783 1 133 . 1 1 13 13 LYS H H 1 8.151 0.020 . 1 . . . C 13 LYS H . 19783 1 134 . 1 1 13 13 LYS HA H 1 4.016 0.020 . 1 . . . C 13 LYS HA . 19783 1 135 . 1 1 13 13 LYS HG2 H 1 1.759 0.020 . 1 . . . C 13 LYS HG2 . 19783 1 136 . 1 1 13 13 LYS HG3 H 1 1.759 0.020 . 1 . . . C 13 LYS HG3 . 19783 1 137 . 1 1 13 13 LYS HD2 H 1 2.642 0.020 . 2 . . . C 13 LYS HD2 . 19783 1 138 . 1 1 13 13 LYS HD3 H 1 2.482 0.020 . 2 . . . C 13 LYS HD3 . 19783 1 139 . 1 1 13 13 LYS CA C 13 54.332 0.3 . 1 . . . C 13 LYS CA . 19783 1 140 . 1 1 13 13 LYS CB C 13 31.787 0.3 . 1 . . . C 13 LYS CB . 19783 1 141 . 1 1 13 13 LYS CE C 13 43.933 0.3 . 1 . . . C 13 LYS CB . 19783 1 142 . 1 1 13 13 LYS N N 15 121.228 0.3 . 1 . . . C 13 LYS N . 19783 1 143 . 1 1 14 14 PRO HG2 H 1 1.949 0.020 . 2 . . . C 14 PRO HG2 . 19783 1 144 . 1 1 14 14 PRO HG3 H 1 1.807 0.020 . 2 . . . C 14 PRO HG3 . 19783 1 145 . 1 1 14 14 PRO HD2 H 1 2.653 0.020 . 2 . . . C 14 PRO HD2 . 19783 1 146 . 1 1 14 14 PRO HD3 H 1 2.502 0.020 . 2 . . . C 14 PRO HD3 . 19783 1 147 . 1 1 14 14 PRO CG C 13 26.876 0.3 . 1 . . . C 14 PRO CG . 19783 1 148 . 1 1 14 14 PRO CD C 13 49.710 0.3 . 1 . . . C 14 PRO CD . 19783 1 149 . 1 1 15 15 PRO HA H 1 4.423 0.020 . 1 . . . C 15 PRO HA . 19783 1 150 . 1 1 15 15 PRO HB2 H 1 2.249 0.020 . 2 . . . C 15 PRO HB2 . 19783 1 151 . 1 1 15 15 PRO HB3 H 1 1.959 0.020 . 2 . . . C 15 PRO HB3 . 19783 1 152 . 1 1 15 15 PRO HG2 H 1 1.829 0.020 . 1 . . . C 15 PRO HG2 . 19783 1 153 . 1 1 15 15 PRO HG3 H 1 1.829 0.020 . 1 . . . C 15 PRO HG3 . 19783 1 154 . 1 1 15 15 PRO HD2 H 1 3.807 0.020 . 2 . . . C 15 PRO HD2 . 19783 1 155 . 1 1 15 15 PRO HD3 H 1 3.663 0.020 . 2 . . . C 15 PRO HD3 . 19783 1 156 . 1 1 15 15 PRO CA C 13 62.405 0.3 . 1 . . . C 15 PRO CA . 19783 1 157 . 1 1 15 15 PRO CB C 13 31.948 0.3 . 1 . . . C 15 PRO CB . 19783 1 158 . 1 1 15 15 PRO CG C 13 27.550 0.3 . 1 . . . C 15 PRO CG . 19783 1 159 . 1 1 15 15 PRO CD C 13 50.752 0.3 . 1 . . . C 15 PRO CD . 19783 1 160 . 1 1 16 16 PHE H H 1 8.348 0.020 . 1 . . . C 16 PHE H . 19783 1 161 . 1 1 16 16 PHE HA H 1 4.067 0.020 . 1 . . . C 16 PHE HA . 19783 1 162 . 1 1 16 16 PHE HB2 H 1 2.916 0.020 . 2 . . . C 16 PHE HB2 . 19783 1 163 . 1 1 16 16 PHE HB3 H 1 2.536 0.020 . 2 . . . C 16 PHE HB3 . 19783 1 164 . 1 1 16 16 PHE HD1 H 1 7.085 0.020 . 1 . . . C 16 PHE HD1 . 19783 1 165 . 1 1 16 16 PHE HD2 H 1 7.085 0.020 . 1 . . . C 16 PHE HD2 . 19783 1 166 . 1 1 16 16 PHE CA C 13 60.874 0.3 . 1 . . . C 16 PHE CA . 19783 1 167 . 1 1 16 16 PHE CB C 13 39.063 0.3 . 1 . . . C 16 PHE CB . 19783 1 168 . 1 1 16 16 PHE N N 15 123.773 0.3 . 1 . . . C 16 PHE N . 19783 1 169 . 1 1 19 19 ILE H H 1 8.268 0.020 . 1 . . . C 19 ILE H . 19783 1 170 . 1 1 19 19 ILE HA H 1 3.764 0.020 . 1 . . . C 19 ILE HA . 19783 1 171 . 1 1 19 19 ILE HB H 1 1.761 0.020 . 1 . . . C 19 ILE HB . 19783 1 172 . 1 1 19 19 ILE HG12 H 1 1.484 0.020 . 2 . . . C 19 ILE HG12 . 19783 1 173 . 1 1 19 19 ILE HG13 H 1 0.531 0.020 . 2 . . . C 19 ILE HG13 . 19783 1 174 . 1 1 19 19 ILE HG21 H 1 0.782 0.020 . 1 . . . C 19 ILE HG21 . 19783 1 175 . 1 1 19 19 ILE HG22 H 1 0.782 0.020 . 1 . . . C 19 ILE HG22 . 19783 1 176 . 1 1 19 19 ILE HG23 H 1 0.782 0.020 . 1 . . . C 19 ILE HG23 . 19783 1 177 . 1 1 19 19 ILE HD11 H 1 0.626 0.020 . 1 . . . C 19 ILE HD11 . 19783 1 178 . 1 1 19 19 ILE HD12 H 1 0.626 0.020 . 1 . . . C 19 ILE HD12 . 19783 1 179 . 1 1 19 19 ILE HD13 H 1 0.626 0.020 . 1 . . . C 19 ILE HD13 . 19783 1 180 . 1 1 19 19 ILE CA C 13 64.709 0.3 . 1 . . . C 19 ILE CA . 19783 1 181 . 1 1 19 19 ILE CB C 13 38.630 0.3 . 1 . . . C 19 ILE CB . 19783 1 182 . 1 1 19 19 ILE CG1 C 13 29.214 0.3 . 1 . . . C 19 ILE CG1 . 19783 1 183 . 1 1 19 19 ILE CG2 C 13 17.482 0.3 . 1 . . . C 19 ILE CG2 . 19783 1 184 . 1 1 19 19 ILE CD1 C 13 13.848 0.3 . 1 . . . C 19 ILE CD1 . 19783 1 185 . 1 1 20 20 TRP H H 1 8.275 0.020 . 1 . . . C 20 TRP H . 19783 1 186 . 1 1 20 20 TRP HA H 1 4.942 0.020 . 1 . . . C 20 TRP HA . 19783 1 187 . 1 1 20 20 TRP HB2 H 1 3.013 0.020 . 2 . . . C 20 TRP HB2 . 19783 1 188 . 1 1 20 20 TRP HB3 H 1 3.089 0.020 . 2 . . . C 20 TRP HB3 . 19783 1 189 . 1 1 20 20 TRP HD1 H 1 7.072 0.020 . 1 . . . C 20 TRP HD1 . 19783 1 190 . 1 1 20 20 TRP HE1 H 1 10.028 0.020 . 1 . . . C 20 TRP HE1 . 19783 1 191 . 1 1 20 20 TRP HE3 H 1 7.499 0.020 . 1 . . . C 20 TRP HE3 . 19783 1 192 . 1 1 20 20 TRP C C 13 173.974 0.3 . 1 . . . C 20 TRP C . 19783 1 193 . 1 1 20 20 TRP CA C 13 55.508 0.3 . 1 . . . C 20 TRP CA . 19783 1 194 . 1 1 20 20 TRP CB C 13 29.892 0.3 . 1 . . . C 20 TRP CB . 19783 1 195 . 1 1 20 20 TRP N N 15 119.035 0.3 . 1 . . . C 20 TRP N . 19783 1 196 . 1 1 21 21 THR H H 1 8.470 0.020 . 1 . . . C 21 THR H . 19783 1 197 . 1 1 21 21 THR HA H 1 4.585 0.020 . 1 . . . C 21 THR HA . 19783 1 198 . 1 1 21 21 THR HB H 1 4.185 0.020 . 1 . . . C 21 THR HB . 19783 1 199 . 1 1 21 21 THR HG21 H 1 1.186 0.020 . 1 . . . C 21 THR HG21 . 19783 1 200 . 1 1 21 21 THR HG22 H 1 1.186 0.020 . 1 . . . C 21 THR HG22 . 19783 1 201 . 1 1 21 21 THR HG23 H 1 1.186 0.020 . 1 . . . C 21 THR HG23 . 19783 1 202 . 1 1 21 21 THR CB C 13 70.303 0.3 . 1 . . . C 21 THR CB . 19783 1 203 . 1 1 21 21 THR N N 15 122.056 0.3 . 1 . . . C 21 THR N . 19783 1 204 . 1 1 23 23 GLN H H 1 8.638 0.020 . 1 . . . C 23 GLN H . 19783 1 205 . 1 1 23 23 GLN HA H 1 4.149 0.020 . 1 . . . C 23 GLN HA . 19783 1 206 . 1 1 23 23 GLN HB2 H 1 2.308 0.020 . 1 . . . C 23 GLN HB2 . 19783 1 207 . 1 1 23 23 GLN HB3 H 1 2.308 0.020 . 1 . . . C 23 GLN HB3 . 19783 1 208 . 1 1 23 23 GLN HG2 H 1 2.258 0.020 . 1 . . . C 23 GLN HG2 . 19783 1 209 . 1 1 23 23 GLN HG3 H 1 2.258 0.020 . 1 . . . C 23 GLN HG3 . 19783 1 210 . 1 1 23 23 GLN HE21 H 1 7.322 0.020 . 1 . . . C 23 GLN HE21 . 19783 1 211 . 1 1 23 23 GLN HE22 H 1 6.651 0.020 . 1 . . . C 23 GLN HE22 . 19783 1 212 . 1 1 23 23 GLN CA C 13 58.179 0.3 . 1 . . . C 23 GLN CA . 19783 1 213 . 1 1 23 23 GLN CB C 13 26.860 0.3 . 1 . . . C 23 GLN CB . 19783 1 214 . 1 1 23 23 GLN CG C 13 34.518 0.3 . 1 . . . C 23 GLN CG . 19783 1 215 . 1 1 23 23 GLN N N 15 123.024 0.3 . 1 . . . C 23 GLN N . 19783 1 216 . 1 1 23 23 GLN NE2 N 15 112.505 0.3 . 1 . . . C 23 GLN NE2 . 19783 1 217 . 1 1 24 24 THR H H 1 7.402 0.020 . 1 . . . C 24 THR H . 19783 1 218 . 1 1 24 24 THR HA H 1 4.785 0.020 . 1 . . . C 24 THR HA . 19783 1 219 . 1 1 24 24 THR HB H 1 3.942 0.020 . 1 . . . C 24 THR HB . 19783 1 220 . 1 1 24 24 THR HG21 H 1 1.003 0.020 . 1 . . . C 24 THR HG21 . 19783 1 221 . 1 1 24 24 THR HG22 H 1 1.003 0.020 . 1 . . . C 24 THR HG22 . 19783 1 222 . 1 1 24 24 THR HG23 H 1 1.003 0.020 . 1 . . . C 24 THR HG23 . 19783 1 223 . 1 1 24 24 THR CA C 13 60.278 0.3 . 1 . . . C 24 THR CA . 19783 1 224 . 1 1 24 24 THR CB C 13 72.143 0.3 . 1 . . . C 24 THR CB . 19783 1 225 . 1 1 24 24 THR CG2 C 13 21.447 0.3 . 1 . . . C 24 THR CG2 . 19783 1 226 . 1 1 24 24 THR N N 15 110.779 0.3 . 1 . . . C 24 THR N . 19783 1 227 . 1 1 25 25 ALA HA H 1 4.093 0.020 . 1 . . . C 25 ALA HA . 19783 1 228 . 1 1 25 25 ALA HB1 H 1 1.313 0.020 . 1 . . . C 25 ALA HB1 . 19783 1 229 . 1 1 25 25 ALA HB2 H 1 1.313 0.020 . 1 . . . C 25 ALA HB2 . 19783 1 230 . 1 1 25 25 ALA HB3 H 1 1.313 0.020 . 1 . . . C 25 ALA HB3 . 19783 1 231 . 1 1 25 25 ALA CA C 13 53.882 0.3 . 1 . . . C 25 ALA CA . 19783 1 232 . 1 1 25 25 ALA CB C 13 19.459 0.3 . 1 . . . C 25 ALA CB . 19783 1 233 . 1 1 26 26 THR H H 1 7.874 0.020 . 1 . . . C 26 THR H . 19783 1 234 . 1 1 26 26 THR HB H 1 4.073 0.020 . 1 . . . C 26 THR HB . 19783 1 235 . 1 1 26 26 THR HG21 H 1 1.095 0.020 . 1 . . . C 26 THR HG21 . 19783 1 236 . 1 1 26 26 THR HG22 H 1 1.095 0.020 . 1 . . . C 26 THR HG22 . 19783 1 237 . 1 1 26 26 THR HG23 H 1 1.095 0.020 . 1 . . . C 26 THR HG23 . 19783 1 238 . 1 1 26 26 THR CB C 13 69.894 0.3 . 1 . . . C 26 THR CB . 19783 1 239 . 1 1 26 26 THR CG2 C 13 21.554 0.3 . 1 . . . C 26 THR CG2 . 19783 1 240 . 1 1 26 26 THR N N 15 116.103 0.3 . 1 . . . C 26 THR N . 19783 1 241 . 1 1 27 27 ILE H H 1 8.853 0.020 . 1 . . . C 27 ILE H . 19783 1 242 . 1 1 27 27 ILE HA H 1 3.717 0.020 . 1 . . . C 27 ILE HA . 19783 1 243 . 1 1 27 27 ILE HB H 1 1.437 0.020 . 1 . . . C 27 ILE HB . 19783 1 244 . 1 1 27 27 ILE HG12 H 1 0.922 0.020 . 2 . . . C 27 ILE HG12 . 19783 1 245 . 1 1 27 27 ILE HG13 H 1 0.287 0.020 . 2 . . . C 27 ILE HG13 . 19783 1 246 . 1 1 27 27 ILE HG21 H 1 0.964 0.020 . 1 . . . C 27 ILE HG21 . 19783 1 247 . 1 1 27 27 ILE HG22 H 1 0.964 0.020 . 1 . . . C 27 ILE HG22 . 19783 1 248 . 1 1 27 27 ILE HG23 H 1 0.964 0.020 . 1 . . . C 27 ILE HG23 . 19783 1 249 . 1 1 27 27 ILE HD11 H 1 0.043 0.020 . 1 . . . C 27 ILE HD11 . 19783 1 250 . 1 1 27 27 ILE HD12 H 1 0.043 0.020 . 1 . . . C 27 ILE HD12 . 19783 1 251 . 1 1 27 27 ILE HD13 H 1 0.043 0.020 . 1 . . . C 27 ILE HD13 . 19783 1 252 . 1 1 27 27 ILE CA C 13 60.996 0.3 . 1 . . . C 27 ILE CA . 19783 1 253 . 1 1 27 27 ILE CB C 13 39.127 0.3 . 1 . . . C 27 ILE CB . 19783 1 254 . 1 1 27 27 ILE CG1 C 13 28.218 0.3 . 1 . . . C 27 ILE CG1 . 19783 1 255 . 1 1 27 27 ILE CG2 C 13 20.035 0.3 . 1 . . . C 27 ILE CG2 . 19783 1 256 . 1 1 27 27 ILE CD1 C 13 14.275 0.3 . 1 . . . C 27 ILE CD1 . 19783 1 257 . 1 1 28 28 VAL H H 1 7.502 0.020 . 1 . . . C 28 VAL H . 19783 1 258 . 1 1 28 28 VAL HA H 1 4.651 0.020 . 1 . . . C 28 VAL HA . 19783 1 259 . 1 1 28 28 VAL HB H 1 1.913 0.020 . 1 . . . C 28 VAL HB . 19783 1 260 . 1 1 28 28 VAL HG11 H 1 0.839 0.020 . 1 . . . C 28 VAL HG11 . 19783 1 261 . 1 1 28 28 VAL HG12 H 1 0.839 0.020 . 1 . . . C 28 VAL HG12 . 19783 1 262 . 1 1 28 28 VAL HG13 H 1 0.839 0.020 . 1 . . . C 28 VAL HG13 . 19783 1 263 . 1 1 28 28 VAL HG21 H 1 0.779 0.020 . 1 . . . C 28 VAL HG21 . 19783 1 264 . 1 1 28 28 VAL HG22 H 1 0.779 0.020 . 1 . . . C 28 VAL HG22 . 19783 1 265 . 1 1 28 28 VAL HG23 H 1 0.779 0.020 . 1 . . . C 28 VAL HG23 . 19783 1 266 . 1 1 28 28 VAL C C 13 173.536 0.3 . 1 . . . C 28 VAL C . 19783 1 267 . 1 1 28 28 VAL CA C 13 62.257 0.3 . 1 . . . C 28 VAL CA . 19783 1 268 . 1 1 28 28 VAL CB C 13 34.186 0.3 . 1 . . . C 28 VAL CB . 19783 1 269 . 1 1 28 28 VAL CG1 C 13 21.840 0.3 . 1 . . . C 28 VAL CG1 . 19783 1 270 . 1 1 28 28 VAL CG2 C 13 21.824 0.3 . 1 . . . C 28 VAL CG2 . 19783 1 271 . 1 1 28 28 VAL N N 15 125.545 0.3 . 1 . . . C 28 VAL N . 19783 1 272 . 1 1 29 29 CYS H H 1 9.907 0.020 . 1 . . . C 29 CYS H . 19783 1 273 . 1 1 29 29 CYS HA H 1 5.182 0.020 . 1 . . . C 29 CYS HA . 19783 1 274 . 1 1 29 29 CYS HB2 H 1 3.140 0.020 . 2 . . . C 29 CYS HB2 . 19783 1 275 . 1 1 29 29 CYS HB3 H 1 2.983 0.020 . 2 . . . C 29 CYS HB3 . 19783 1 276 . 1 1 29 29 CYS C C 13 172.070 0.3 . 1 . . . C 29 CYS C . 19783 1 277 . 1 1 29 29 CYS CA C 13 53.381 0.3 . 1 . . . C 29 CYS CA . 19783 1 278 . 1 1 29 29 CYS CB C 13 43.709 0.3 . 1 . . . C 29 CYS CB . 19783 1 279 . 1 1 29 29 CYS N N 15 128.977 0.3 . 1 . . . C 29 CYS N . 19783 1 280 . 1 1 30 30 GLU H H 1 9.217 0.020 . 1 . . . C 30 GLU H . 19783 1 281 . 1 1 30 30 GLU HA H 1 4.852 0.020 . 1 . . . C 30 GLU HA . 19783 1 282 . 1 1 30 30 GLU HB2 H 1 1.950 0.020 . 2 . . . C 30 GLU HB2 . 19783 1 283 . 1 1 30 30 GLU HB3 H 1 1.820 0.020 . 2 . . . C 30 GLU HB3 . 19783 1 284 . 1 1 30 30 GLU CA C 13 55.742 0.3 . 1 . . . C 30 GLU CA . 19783 1 285 . 1 1 30 30 GLU CB C 13 32.387 0.3 . 1 . . . C 30 GLU CB . 19783 1 286 . 1 1 30 30 GLU CG C 13 36.393 0.3 . 1 . . . C 30 GLU CG . 19783 1 287 . 1 1 30 30 GLU N N 15 126.688 0.3 . 1 . . . C 30 GLU N . 19783 1 288 . 1 1 31 31 ILE H H 1 9.119 0.020 . 1 . . . C 31 ILE H . 19783 1 289 . 1 1 31 31 ILE HA H 1 4.944 0.020 . 1 . . . C 31 ILE HA . 19783 1 290 . 1 1 31 31 ILE HB H 1 1.875 0.020 . 1 . . . C 31 ILE HB . 19783 1 291 . 1 1 31 31 ILE HG12 H 1 1.361 0.020 . 2 . . . C 31 ILE HG12 . 19783 1 292 . 1 1 31 31 ILE HG13 H 1 0.857 0.020 . 2 . . . C 31 ILE HG13 . 19783 1 293 . 1 1 31 31 ILE HG21 H 1 0.762 0.020 . 1 . . . C 31 ILE HG21 . 19783 1 294 . 1 1 31 31 ILE HG22 H 1 0.762 0.020 . 1 . . . C 31 ILE HG22 . 19783 1 295 . 1 1 31 31 ILE HG23 H 1 0.762 0.020 . 1 . . . C 31 ILE HG23 . 19783 1 296 . 1 1 31 31 ILE HD11 H 1 0.585 0.020 . 1 . . . C 31 ILE HD11 . 19783 1 297 . 1 1 31 31 ILE HD12 H 1 0.585 0.020 . 1 . . . C 31 ILE HD12 . 19783 1 298 . 1 1 31 31 ILE HD13 H 1 0.585 0.020 . 1 . . . C 31 ILE HD13 . 19783 1 299 . 1 1 31 31 ILE C C 13 174.580 0.3 . 1 . . . C 31 ILE C . 19783 1 300 . 1 1 31 31 ILE CA C 13 60.795 0.3 . 1 . . . C 31 ILE CA . 19783 1 301 . 1 1 31 31 ILE CB C 13 40.658 0.3 . 1 . . . C 31 ILE CB . 19783 1 302 . 1 1 31 31 ILE CG1 C 13 29.145 0.3 . 1 . . . C 31 ILE CG1 . 19783 1 303 . 1 1 31 31 ILE CG2 C 13 19.513 0.3 . 1 . . . C 31 ILE CG2 . 19783 1 304 . 1 1 31 31 ILE CD1 C 13 17.523 0.3 . 1 . . . C 31 ILE CD1 . 19783 1 305 . 1 1 31 31 ILE N N 15 130.021 0.3 . 1 . . . C 31 ILE N . 19783 1 306 . 1 1 32 32 VAL H H 1 8.723 0.020 . 1 . . . C 32 VAL H . 19783 1 307 . 1 1 32 32 VAL HA H 1 5.224 0.020 . 1 . . . C 32 VAL HA . 19783 1 308 . 1 1 32 32 VAL HB H 1 1.856 0.020 . 1 . . . C 32 VAL HB . 19783 1 309 . 1 1 32 32 VAL HG11 H 1 0.818 0.020 . 1 . . . C 32 VAL HG11 . 19783 1 310 . 1 1 32 32 VAL HG12 H 1 0.818 0.020 . 1 . . . C 32 VAL HG12 . 19783 1 311 . 1 1 32 32 VAL HG13 H 1 0.818 0.020 . 1 . . . C 32 VAL HG13 . 19783 1 312 . 1 1 32 32 VAL HG21 H 1 0.862 0.020 . 1 . . . C 32 VAL HG21 . 19783 1 313 . 1 1 32 32 VAL HG22 H 1 0.862 0.020 . 1 . . . C 32 VAL HG22 . 19783 1 314 . 1 1 32 32 VAL HG23 H 1 0.862 0.020 . 1 . . . C 32 VAL HG23 . 19783 1 315 . 1 1 32 32 VAL C C 13 176.331 0.3 . 1 . . . C 32 VAL C . 19783 1 316 . 1 1 32 32 VAL CA C 13 61.204 0.3 . 1 . . . C 32 VAL CA . 19783 1 317 . 1 1 32 32 VAL CB C 13 34.236 0.3 . 1 . . . C 32 VAL CB . 19783 1 318 . 1 1 32 32 VAL CG1 C 13 21.537 0.3 . 1 . . . C 32 VAL CG1 . 19783 1 319 . 1 1 32 32 VAL CG2 C 13 21.065 0.3 . 1 . . . C 32 VAL CG2 . 19783 1 320 . 1 1 32 32 VAL N N 15 127.671 0.3 . 1 . . . C 32 VAL N . 19783 1 321 . 1 1 33 33 TYR H H 1 9.114 0.020 . 1 . . . C 33 TYR H . 19783 1 322 . 1 1 33 33 TYR HA H 1 5.385 0.020 . 1 . . . C 33 TYR HA . 19783 1 323 . 1 1 33 33 TYR HB2 H 1 3.015 0.020 . 2 . . . C 33 TYR HB2 . 19783 1 324 . 1 1 33 33 TYR HB3 H 1 2.764 0.020 . 2 . . . C 33 TYR HB3 . 19783 1 325 . 1 1 33 33 TYR HD1 H 1 6.570 0.020 . 3 . . . C 33 TYR HD1 . 19783 1 326 . 1 1 33 33 TYR HD2 H 1 6.590 0.020 . 3 . . . C 33 TYR HD2 . 19783 1 327 . 1 1 33 33 TYR C C 13 172.424 0.3 . 1 . . . C 33 TYR C . 19783 1 328 . 1 1 33 33 TYR CA C 13 56.468 0.3 . 1 . . . C 33 TYR CA . 19783 1 329 . 1 1 33 33 TYR CB C 13 41.612 0.3 . 1 . . . C 33 TYR CB . 19783 1 330 . 1 1 33 33 TYR N N 15 125.563 0.3 . 1 . . . C 33 TYR N . 19783 1 331 . 1 1 34 34 SER H H 1 8.342 0.020 . 1 . . . C 34 SER H . 19783 1 332 . 1 1 34 34 SER HA H 1 4.749 0.020 . 1 . . . C 34 SER HA . 19783 1 333 . 1 1 34 34 SER HB2 H 1 3.874 0.020 . 2 . . . C 34 SER HB2 . 19783 1 334 . 1 1 34 34 SER HB3 H 1 3.869 0.020 . 2 . . . C 34 SER HB3 . 19783 1 335 . 1 1 34 34 SER C C 13 174.108 0.3 . 1 . . . C 34 SER C . 19783 1 336 . 1 1 34 34 SER CA C 13 57.900 0.3 . 1 . . . C 34 SER CA . 19783 1 337 . 1 1 34 34 SER CB C 13 65.956 0.3 . 1 . . . C 34 SER CB . 19783 1 338 . 1 1 34 34 SER N N 15 111.556 0.3 . 1 . . . C 34 SER N . 19783 1 339 . 1 1 35 35 ASP H H 1 8.672 0.020 . 1 . . . C 35 ASP H . 19783 1 340 . 1 1 35 35 ASP HA H 1 4.365 0.020 . 1 . . . C 35 ASP HA . 19783 1 341 . 1 1 35 35 ASP HB2 H 1 2.834 0.020 . 2 . . . C 35 ASP HB2 . 19783 1 342 . 1 1 35 35 ASP HB3 H 1 2.751 0.020 . 2 . . . C 35 ASP HB3 . 19783 1 343 . 1 1 35 35 ASP C C 13 175.018 0.3 . 1 . . . C 35 ASP C . 19783 1 344 . 1 1 35 35 ASP CA C 13 56.801 0.3 . 1 . . . C 35 ASP CA . 19783 1 345 . 1 1 35 35 ASP CB C 13 40.357 0.3 . 1 . . . C 35 ASP CB . 19783 1 346 . 1 1 35 35 ASP N N 15 118.304 0.3 . 1 . . . C 35 ASP N . 19783 1 347 . 1 1 36 36 LEU H H 1 7.357 0.020 . 1 . . . C 36 LEU H . 19783 1 348 . 1 1 36 36 LEU HA H 1 4.524 0.020 . 1 . . . C 36 LEU HA . 19783 1 349 . 1 1 36 36 LEU HB2 H 1 1.451 0.020 . 2 . . . C 36 LEU HB2 . 19783 1 350 . 1 1 36 36 LEU HB3 H 1 1.400 0.020 . 2 . . . C 36 LEU HB3 . 19783 1 351 . 1 1 36 36 LEU HG H 1 1.460 0.020 . 1 . . . C 36 LEU HG . 19783 1 352 . 1 1 36 36 LEU HD11 H 1 0.620 0.020 . 1 . . . C 36 LEU HD11 . 19783 1 353 . 1 1 36 36 LEU HD12 H 1 0.620 0.020 . 1 . . . C 36 LEU HD12 . 19783 1 354 . 1 1 36 36 LEU HD13 H 1 0.620 0.020 . 1 . . . C 36 LEU HD13 . 19783 1 355 . 1 1 36 36 LEU HD21 H 1 0.788 0.020 . 1 . . . C 36 LEU HD21 . 19783 1 356 . 1 1 36 36 LEU HD22 H 1 0.788 0.020 . 1 . . . C 36 LEU HD22 . 19783 1 357 . 1 1 36 36 LEU HD23 H 1 0.788 0.020 . 1 . . . C 36 LEU HD23 . 19783 1 358 . 1 1 36 36 LEU C C 13 177.157 0.3 . 1 . . . C 36 LEU C . 19783 1 359 . 1 1 36 36 LEU CA C 13 55.171 0.3 . 1 . . . C 36 LEU CA . 19783 1 360 . 1 1 36 36 LEU CB C 13 43.283 0.3 . 1 . . . C 36 LEU CB . 19783 1 361 . 1 1 36 36 LEU CG C 13 26.805 0.3 . 1 . . . C 36 LEU CG . 19783 1 362 . 1 1 36 36 LEU CD1 C 13 26.683 0.3 . 1 . . . C 36 LEU CD1 . 19783 1 363 . 1 1 36 36 LEU CD2 C 13 23.138 0.3 . 1 . . . C 36 LEU CD2 . 19783 1 364 . 1 1 36 36 LEU N N 15 117.764 0.3 . 1 . . . C 36 LEU N . 19783 1 365 . 1 1 37 37 GLU H H 1 9.557 0.020 . 1 . . . C 37 GLU H . 19783 1 366 . 1 1 37 37 GLU HA H 1 4.462 0.020 . 1 . . . C 37 GLU HA . 19783 1 367 . 1 1 37 37 GLU HB2 H 1 2.094 0.020 . 2 . . . C 37 GLU HB2 . 19783 1 368 . 1 1 37 37 GLU HB3 H 1 1.854 0.020 . 2 . . . C 37 GLU HB3 . 19783 1 369 . 1 1 37 37 GLU HG2 H 1 2.220 0.020 . 2 . . . C 37 GLU HG2 . 19783 1 370 . 1 1 37 37 GLU HG3 H 1 2.149 0.020 . 2 . . . C 37 GLU HG3 . 19783 1 371 . 1 1 37 37 GLU C C 13 176.584 0.3 . 1 . . . C 37 GLU C . 19783 1 372 . 1 1 37 37 GLU CA C 13 57.020 0.3 . 1 . . . C 37 GLU CA . 19783 1 373 . 1 1 37 37 GLU CB C 13 32.512 0.3 . 1 . . . C 37 GLU CB . 19783 1 374 . 1 1 37 37 GLU CG C 13 36.439 0.3 . 1 . . . C 37 GLU CG . 19783 1 375 . 1 1 37 37 GLU N N 15 120.855 0.3 . 1 . . . C 37 GLU N . 19783 1 376 . 1 1 38 38 ASN H H 1 9.124 0.020 . 1 . . . C 38 ASN H . 19783 1 377 . 1 1 38 38 ASN HA H 1 4.934 0.020 . 1 . . . C 38 ASN HA . 19783 1 378 . 1 1 38 38 ASN HB2 H 1 2.783 0.020 . 2 . . . C 38 ASN HB2 . 19783 1 379 . 1 1 38 38 ASN HB3 H 1 2.572 0.020 . 2 . . . C 38 ASN HB3 . 19783 1 380 . 1 1 38 38 ASN HD21 H 1 7.941 0.020 . 1 . . . C 38 ASN HD21 . 19783 1 381 . 1 1 38 38 ASN HD22 H 1 6.900 0.020 . 1 . . . C 38 ASN HD22 . 19783 1 382 . 1 1 38 38 ASN C C 13 174.192 0.3 . 1 . . . C 38 ASN C . 19783 1 383 . 1 1 38 38 ASN CA C 13 52.794 0.3 . 1 . . . C 38 ASN CA . 19783 1 384 . 1 1 38 38 ASN CB C 13 40.087 0.3 . 1 . . . C 38 ASN CB . 19783 1 385 . 1 1 38 38 ASN N N 15 122.459 0.3 . 1 . . . C 38 ASN N . 19783 1 386 . 1 1 38 38 ASN ND2 N 15 115.842 0.3 . 1 . . . C 38 ASN ND2 . 19783 1 387 . 1 1 39 39 ILE H H 1 7.252 0.020 . 1 . . . C 39 ILE H . 19783 1 388 . 1 1 39 39 ILE HA H 1 4.160 0.020 . 1 . . . C 39 ILE HA . 19783 1 389 . 1 1 39 39 ILE HB H 1 1.342 0.020 . 1 . . . C 39 ILE HB . 19783 1 390 . 1 1 39 39 ILE HG12 H 1 0.922 0.020 . 2 . . . C 39 ILE HG12 . 19783 1 391 . 1 1 39 39 ILE HG13 H 1 0.576 0.020 . 2 . . . C 39 ILE HG13 . 19783 1 392 . 1 1 39 39 ILE HG21 H 1 0.443 0.020 . 1 . . . C 39 ILE HG21 . 19783 1 393 . 1 1 39 39 ILE HG22 H 1 0.443 0.020 . 1 . . . C 39 ILE HG22 . 19783 1 394 . 1 1 39 39 ILE HG23 H 1 0.443 0.020 . 1 . . . C 39 ILE HG23 . 19783 1 395 . 1 1 39 39 ILE HD11 H 1 -0.154 0.020 . 1 . . . C 39 ILE HD11 . 19783 1 396 . 1 1 39 39 ILE HD12 H 1 -0.154 0.020 . 1 . . . C 39 ILE HD12 . 19783 1 397 . 1 1 39 39 ILE HD13 H 1 -0.154 0.020 . 1 . . . C 39 ILE HD13 . 19783 1 398 . 1 1 39 39 ILE C C 13 176.416 0.3 . 1 . . . C 39 ILE C . 19783 1 399 . 1 1 39 39 ILE CA C 13 62.166 0.3 . 1 . . . C 39 ILE CA . 19783 1 400 . 1 1 39 39 ILE CB C 13 38.218 0.3 . 1 . . . C 39 ILE CB . 19783 1 401 . 1 1 39 39 ILE CG1 C 13 28.072 0.3 . 1 . . . C 39 ILE CG1 . 19783 1 402 . 1 1 39 39 ILE CG2 C 13 17.373 0.3 . 1 . . . C 39 ILE CG2 . 19783 1 403 . 1 1 39 39 ILE CD1 C 13 12.276 0.3 . 1 . . . C 39 ILE CD1 . 19783 1 404 . 1 1 39 39 ILE N N 15 119.708 0.3 . 1 . . . C 39 ILE N . 19783 1 405 . 1 1 40 40 LYS H H 1 8.760 0.020 . 1 . . . C 40 LYS H . 19783 1 406 . 1 1 40 40 LYS HA H 1 4.403 0.020 . 1 . . . C 40 LYS HA . 19783 1 407 . 1 1 40 40 LYS HB2 H 1 1.626 0.020 . 2 . . . C 40 LYS HB2 . 19783 1 408 . 1 1 40 40 LYS HB3 H 1 1.589 0.020 . 2 . . . C 40 LYS HB3 . 19783 1 409 . 1 1 40 40 LYS HG2 H 1 1.191 0.020 . 2 . . . C 40 LYS HG2 . 19783 1 410 . 1 1 40 40 LYS HG3 H 1 1.126 0.020 . 2 . . . C 40 LYS HG3 . 19783 1 411 . 1 1 40 40 LYS HD2 H 1 1.434 0.020 . 2 . . . C 40 LYS HD2 . 19783 1 412 . 1 1 40 40 LYS HD3 H 1 1.332 0.020 . 2 . . . C 40 LYS HD3 . 19783 1 413 . 1 1 40 40 LYS HE2 H 1 2.858 0.020 . 2 . . . C 40 LYS HE2 . 19783 1 414 . 1 1 40 40 LYS HE3 H 1 2.778 0.020 . 2 . . . C 40 LYS HE3 . 19783 1 415 . 1 1 40 40 LYS C C 13 173.755 0.3 . 1 . . . C 40 LYS C . 19783 1 416 . 1 1 40 40 LYS CA C 13 55.056 0.3 . 1 . . . C 40 LYS CA . 19783 1 417 . 1 1 40 40 LYS CB C 13 36.010 0.3 . 1 . . . C 40 LYS CB . 19783 1 418 . 1 1 40 40 LYS CG C 13 24.876 0.3 . 1 . . . C 40 LYS CG . 19783 1 419 . 1 1 40 40 LYS CD C 13 29.313 0.3 . 1 . . . C 40 LYS CD . 19783 1 420 . 1 1 40 40 LYS CE C 13 42.456 0.3 . 1 . . . C 40 LYS CE . 19783 1 421 . 1 1 40 40 LYS N N 15 128.321 0.3 . 1 . . . C 40 LYS N . 19783 1 422 . 1 1 41 41 VAL H H 1 7.902 0.020 . 1 . . . C 41 VAL H . 19783 1 423 . 1 1 41 41 VAL HA H 1 4.760 0.020 . 1 . . . C 41 VAL HA . 19783 1 424 . 1 1 41 41 VAL HB H 1 1.658 0.020 . 1 . . . C 41 VAL HB . 19783 1 425 . 1 1 41 41 VAL HG11 H 1 0.622 0.020 . 1 . . . C 41 VAL HG11 . 19783 1 426 . 1 1 41 41 VAL HG12 H 1 0.622 0.020 . 1 . . . C 41 VAL HG12 . 19783 1 427 . 1 1 41 41 VAL HG13 H 1 0.622 0.020 . 1 . . . C 41 VAL HG13 . 19783 1 428 . 1 1 41 41 VAL HG21 H 1 0.650 0.020 . 1 . . . C 41 VAL HG21 . 19783 1 429 . 1 1 41 41 VAL HG22 H 1 0.650 0.020 . 1 . . . C 41 VAL HG22 . 19783 1 430 . 1 1 41 41 VAL HG23 H 1 0.650 0.020 . 1 . . . C 41 VAL HG23 . 19783 1 431 . 1 1 41 41 VAL C C 13 175.405 0.3 . 1 . . . C 41 VAL C . 19783 1 432 . 1 1 41 41 VAL CA C 13 60.873 0.3 . 1 . . . C 41 VAL CA . 19783 1 433 . 1 1 41 41 VAL CB C 13 33.886 0.3 . 1 . . . C 41 VAL CB . 19783 1 434 . 1 1 41 41 VAL CG1 C 13 21.178 0.3 . 1 . . . C 41 VAL CG1 . 19783 1 435 . 1 1 41 41 VAL CG2 C 13 22.168 0.3 . 1 . . . C 41 VAL CG2 . 19783 1 436 . 1 1 41 41 VAL N N 15 121.679 0.3 . 1 . . . C 41 VAL N . 19783 1 437 . 1 1 42 42 PHE H H 1 9.352 0.020 . 1 . . . C 42 PHE H . 19783 1 438 . 1 1 42 42 PHE HA H 1 4.869 0.020 . 1 . . . C 42 PHE HA . 19783 1 439 . 1 1 42 42 PHE HB2 H 1 3.069 0.020 . 2 . . . C 42 PHE HB2 . 19783 1 440 . 1 1 42 42 PHE HB3 H 1 2.821 0.020 . 2 . . . C 42 PHE HB3 . 19783 1 441 . 1 1 42 42 PHE HD1 H 1 7.043 0.020 . 3 . . . C 42 PHE HD1 . 19783 1 442 . 1 1 42 42 PHE HD2 H 1 7.080 0.020 . 3 . . . C 42 PHE HD2 . 19783 1 443 . 1 1 42 42 PHE HE1 H 1 6.906 0.020 . 3 . . . C 42 PHE HE1 . 19783 1 444 . 1 1 42 42 PHE HE2 H 1 7.053 0.020 . 3 . . . C 42 PHE HE2 . 19783 1 445 . 1 1 42 42 PHE HZ H 1 7.260 0.020 . 1 . . . C 42 PHE HZ . 19783 1 446 . 1 1 42 42 PHE C C 13 172.340 0.3 . 1 . . . C 42 PHE C . 19783 1 447 . 1 1 42 42 PHE CA C 13 56.090 0.3 . 1 . . . C 42 PHE CA . 19783 1 448 . 1 1 42 42 PHE CB C 13 41.990 0.3 . 1 . . . C 42 PHE CB . 19783 1 449 . 1 1 42 42 PHE N N 15 126.800 0.3 . 1 . . . C 42 PHE N . 19783 1 450 . 1 1 43 43 TRP H H 1 8.847 0.020 . 1 . . . C 43 TRP H . 19783 1 451 . 1 1 43 43 TRP HA H 1 5.735 0.020 . 1 . . . C 43 TRP HA . 19783 1 452 . 1 1 43 43 TRP HB2 H 1 2.992 0.020 . 2 . . . C 43 TRP HB2 . 19783 1 453 . 1 1 43 43 TRP HB3 H 1 3.136 0.020 . 2 . . . C 43 TRP HB3 . 19783 1 454 . 1 1 43 43 TRP HD1 H 1 7.121 0.020 . 1 . . . C 43 TRP HD1 . 19783 1 455 . 1 1 43 43 TRP HE1 H 1 9.966 0.020 . 1 . . . C 43 TRP HE1 . 19783 1 456 . 1 1 43 43 TRP HE3 H 1 7.289 0.020 . 1 . . . C 43 TRP HE3 . 19783 1 457 . 1 1 43 43 TRP HZ2 H 1 6.589 0.020 . 1 . . . C 43 TRP HZ2 . 19783 1 458 . 1 1 43 43 TRP HZ3 H 1 6.536 0.020 . 1 . . . C 43 TRP HZ3 . 19783 1 459 . 1 1 43 43 TRP HH2 H 1 7.124 0.020 . 1 . . . C 43 TRP HH2 . 19783 1 460 . 1 1 43 43 TRP C C 13 177.393 0.3 . 1 . . . C 43 TRP C . 19783 1 461 . 1 1 43 43 TRP CA C 13 55.896 0.3 . 1 . . . C 43 TRP CA . 19783 1 462 . 1 1 43 43 TRP CB C 13 32.055 0.3 . 1 . . . C 43 TRP CB . 19783 1 463 . 1 1 43 43 TRP N N 15 119.314 0.3 . 1 . . . C 43 TRP N . 19783 1 464 . 1 1 43 43 TRP NE1 N 15 127.902 0.3 . 1 . . . C 43 TRP NE1 . 19783 1 465 . 1 1 44 44 GLN H H 1 9.376 0.020 . 1 . . . C 44 GLN H . 19783 1 466 . 1 1 44 44 GLN HA H 1 5.004 0.020 . 1 . . . C 44 GLN HA . 19783 1 467 . 1 1 44 44 GLN HB2 H 1 1.869 0.020 . 2 . . . C 44 GLN HB2 . 19783 1 468 . 1 1 44 44 GLN HB3 H 1 1.822 0.020 . 2 . . . C 44 GLN HB3 . 19783 1 469 . 1 1 44 44 GLN HG2 H 1 2.046 0.020 . 1 . . . C 44 GLN HG2 . 19783 1 470 . 1 1 44 44 GLN HG3 H 1 2.046 0.020 . 1 . . . C 44 GLN HG3 . 19783 1 471 . 1 1 44 44 GLN C C 13 175.035 0.3 . 1 . . . C 44 GLN C . 19783 1 472 . 1 1 44 44 GLN CA C 13 54.163 0.3 . 1 . . . C 44 GLN CA . 19783 1 473 . 1 1 44 44 GLN CB C 13 33.065 0.3 . 1 . . . C 44 GLN CB . 19783 1 474 . 1 1 44 44 GLN N N 15 118.782 0.3 . 1 . . . C 44 GLN N . 19783 1 475 . 1 1 45 45 VAL H H 1 8.796 0.020 . 1 . . . C 45 VAL H . 19783 1 476 . 1 1 45 45 VAL HA H 1 4.406 0.020 . 1 . . . C 45 VAL HA . 19783 1 477 . 1 1 45 45 VAL HB H 1 1.852 0.020 . 1 . . . C 45 VAL HB . 19783 1 478 . 1 1 45 45 VAL HG11 H 1 0.547 0.020 . 1 . . . C 45 VAL HG11 . 19783 1 479 . 1 1 45 45 VAL HG12 H 1 0.547 0.020 . 1 . . . C 45 VAL HG12 . 19783 1 480 . 1 1 45 45 VAL HG13 H 1 0.547 0.020 . 1 . . . C 45 VAL HG13 . 19783 1 481 . 1 1 45 45 VAL HG21 H 1 0.957 0.020 . 1 . . . C 45 VAL HG21 . 19783 1 482 . 1 1 45 45 VAL HG22 H 1 0.957 0.020 . 1 . . . C 45 VAL HG22 . 19783 1 483 . 1 1 45 45 VAL HG23 H 1 0.957 0.020 . 1 . . . C 45 VAL HG23 . 19783 1 484 . 1 1 45 45 VAL C C 13 176.921 0.3 . 1 . . . C 45 VAL C . 19783 1 485 . 1 1 45 45 VAL CA C 13 61.827 0.3 . 1 . . . C 45 VAL CA . 19783 1 486 . 1 1 45 45 VAL CB C 13 34.260 0.3 . 1 . . . C 45 VAL CB . 19783 1 487 . 1 1 45 45 VAL CG1 C 13 22.479 0.3 . 1 . . . C 45 VAL CG1 . 19783 1 488 . 1 1 45 45 VAL CG2 C 13 21.673 0.3 . 1 . . . C 45 VAL CG2 . 19783 1 489 . 1 1 45 45 VAL N N 15 121.659 0.3 . 1 . . . C 45 VAL N . 19783 1 490 . 1 1 46 46 ASN H H 1 9.628 0.020 . 1 . . . C 46 ASN H . 19783 1 491 . 1 1 46 46 ASN HA H 1 4.383 0.020 . 1 . . . C 46 ASN HA . 19783 1 492 . 1 1 46 46 ASN HB2 H 1 3.114 0.020 . 2 . . . C 46 ASN HB2 . 19783 1 493 . 1 1 46 46 ASN HB3 H 1 2.675 0.020 . 2 . . . C 46 ASN HB3 . 19783 1 494 . 1 1 46 46 ASN C C 13 175.523 0.3 . 1 . . . C 46 ASN C . 19783 1 495 . 1 1 46 46 ASN CA C 13 54.279 0.3 . 1 . . . C 46 ASN CA . 19783 1 496 . 1 1 46 46 ASN CB C 13 37.485 0.3 . 1 . . . C 46 ASN CB . 19783 1 497 . 1 1 46 46 ASN N N 15 128.796 0.3 . 1 . . . C 46 ASN N . 19783 1 498 . 1 1 47 47 GLY H H 1 8.820 0.020 . 1 . . . C 47 GLY H . 19783 1 499 . 1 1 47 47 GLY HA2 H 1 4.058 0.020 . 2 . . . C 47 GLY HA2 . 19783 1 500 . 1 1 47 47 GLY HA3 H 1 3.489 0.020 . 2 . . . C 47 GLY HA3 . 19783 1 501 . 1 1 47 47 GLY C C 13 173.519 0.3 . 1 . . . C 47 GLY C . 19783 1 502 . 1 1 47 47 GLY CA C 13 45.473 0.3 . 1 . . . C 47 GLY CA . 19783 1 503 . 1 1 47 47 GLY N N 15 102.032 0.3 . 1 . . . C 47 GLY N . 19783 1 504 . 1 1 48 48 VAL H H 1 7.529 0.020 . 1 . . . C 48 VAL H . 19783 1 505 . 1 1 48 48 VAL HA H 1 4.255 0.020 . 1 . . . C 48 VAL HA . 19783 1 506 . 1 1 48 48 VAL HB H 1 2.050 0.020 . 1 . . . C 48 VAL HB . 19783 1 507 . 1 1 48 48 VAL HG11 H 1 1.026 0.020 . 1 . . . C 48 VAL HG11 . 19783 1 508 . 1 1 48 48 VAL HG12 H 1 1.026 0.020 . 1 . . . C 48 VAL HG12 . 19783 1 509 . 1 1 48 48 VAL HG13 H 1 1.026 0.020 . 1 . . . C 48 VAL HG13 . 19783 1 510 . 1 1 48 48 VAL HG21 H 1 0.891 0.020 . 1 . . . C 48 VAL HG21 . 19783 1 511 . 1 1 48 48 VAL HG22 H 1 0.891 0.020 . 1 . . . C 48 VAL HG22 . 19783 1 512 . 1 1 48 48 VAL HG23 H 1 0.891 0.020 . 1 . . . C 48 VAL HG23 . 19783 1 513 . 1 1 48 48 VAL C C 13 175.691 0.3 . 1 . . . C 48 VAL C . 19783 1 514 . 1 1 48 48 VAL CA C 13 61.080 0.3 . 1 . . . C 48 VAL CA . 19783 1 515 . 1 1 48 48 VAL CB C 13 34.420 0.3 . 1 . . . C 48 VAL CB . 19783 1 516 . 1 1 48 48 VAL CG1 C 13 21.319 0.3 . 1 . . . C 48 VAL CG1 . 19783 1 517 . 1 1 48 48 VAL CG2 C 13 20.889 0.3 . 1 . . . C 48 VAL CG2 . 19783 1 518 . 1 1 48 48 VAL N N 15 120.265 0.3 . 1 . . . C 48 VAL N . 19783 1 519 . 1 1 49 49 GLU H H 1 8.851 0.020 . 1 . . . C 49 GLU H . 19783 1 520 . 1 1 49 49 GLU HA H 1 4.737 0.020 . 1 . . . C 49 GLU HA . 19783 1 521 . 1 1 49 49 GLU HB2 H 1 2.091 0.020 . 2 . . . C 49 GLU HB2 . 19783 1 522 . 1 1 49 49 GLU HB3 H 1 1.955 0.020 . 2 . . . C 49 GLU HB3 . 19783 1 523 . 1 1 49 49 GLU HG2 H 1 2.621 0.020 . 2 . . . C 49 GLU HG2 . 19783 1 524 . 1 1 49 49 GLU HG3 H 1 2.200 0.020 . 2 . . . C 49 GLU HG3 . 19783 1 525 . 1 1 49 49 GLU C C 13 175.927 0.3 . 1 . . . C 49 GLU C . 19783 1 526 . 1 1 49 49 GLU CA C 13 57.835 0.3 . 1 . . . C 49 GLU CA . 19783 1 527 . 1 1 49 49 GLU CB C 13 29.551 0.3 . 1 . . . C 49 GLU CB . 19783 1 528 . 1 1 49 49 GLU CG C 13 36.841 0.3 . 1 . . . C 49 GLU CG . 19783 1 529 . 1 1 49 49 GLU N N 15 128.059 0.3 . 1 . . . C 49 GLU N . 19783 1 530 . 1 1 50 50 ARG H H 1 8.704 0.020 . 1 . . . C 50 ARG H . 19783 1 531 . 1 1 50 50 ARG HG2 H 1 1.550 0.020 . 2 . . . C 50 ARG HG2 . 19783 1 532 . 1 1 50 50 ARG HG3 H 1 1.707 0.020 . 2 . . . C 50 ARG HG3 . 19783 1 533 . 1 1 50 50 ARG HD2 H 1 3.405 0.020 . 2 . . . C 50 ARG HD2 . 19783 1 534 . 1 1 50 50 ARG HD3 H 1 3.219 0.020 . 2 . . . C 50 ARG HD3 . 19783 1 535 . 1 1 50 50 ARG CA C 13 54.280 0.3 . 1 . . . C 50 ARG CA . 19783 1 536 . 1 1 50 50 ARG CB C 13 32.304 0.3 . 1 . . . C 50 ARG CB . 19783 1 537 . 1 1 50 50 ARG CG C 13 27.155 0.3 . 1 . . . C 50 ARG CG . 19783 1 538 . 1 1 50 50 ARG CD C 13 42.116 0.3 . 1 . . . C 50 ARG CD . 19783 1 539 . 1 1 50 50 ARG N N 15 128.391 0.3 . 1 . . . C 50 ARG N . 19783 1 540 . 1 1 51 51 LYS H H 1 8.772 0.020 . 1 . . . C 51 LYS H . 19783 1 541 . 1 1 51 51 LYS HA H 1 4.529 0.020 . 1 . . . C 51 LYS HA . 19783 1 542 . 1 1 51 51 LYS HB2 H 1 1.940 0.020 . 1 . . . C 51 LYS HB2 . 19783 1 543 . 1 1 51 51 LYS HB3 H 1 1.940 0.020 . 1 . . . C 51 LYS HB3 . 19783 1 544 . 1 1 51 51 LYS HG2 H 1 1.459 0.020 . 1 . . . C 51 LYS HG2 . 19783 1 545 . 1 1 51 51 LYS HG3 H 1 1.459 0.020 . 1 . . . C 51 LYS HG3 . 19783 1 546 . 1 1 51 51 LYS HD2 H 1 1.697 0.020 . 1 . . . C 51 LYS HD2 . 19783 1 547 . 1 1 51 51 LYS HD3 H 1 1.697 0.020 . 1 . . . C 51 LYS HD3 . 19783 1 548 . 1 1 51 51 LYS HE2 H 1 2.998 0.020 . 1 . . . C 51 LYS HE2 . 19783 1 549 . 1 1 51 51 LYS HE3 H 1 2.998 0.020 . 1 . . . C 51 LYS HE3 . 19783 1 550 . 1 1 51 51 LYS CA C 13 56.868 0.3 . 1 . . . C 51 LYS CA . 19783 1 551 . 1 1 51 51 LYS CB C 13 34.604 0.3 . 1 . . . C 51 LYS CB . 19783 1 552 . 1 1 51 51 LYS CG C 13 25.745 0.3 . 1 . . . C 51 LYS CG . 19783 1 553 . 1 1 51 51 LYS CD C 13 29.421 0.3 . 1 . . . C 51 LYS CD . 19783 1 554 . 1 1 51 51 LYS CE C 13 42.255 0.3 . 1 . . . C 51 LYS CE . 19783 1 555 . 1 1 51 51 LYS N N 15 124.441 0.3 . 1 . . . C 51 LYS N . 19783 1 556 . 1 1 52 52 LYS H H 1 7.752 0.020 . 1 . . . C 52 LYS H . 19783 1 557 . 1 1 52 52 LYS HA H 1 4.197 0.020 . 1 . . . C 52 LYS HA . 19783 1 558 . 1 1 52 52 LYS HB2 H 1 1.770 0.020 . 2 . . . C 52 LYS HB2 . 19783 1 559 . 1 1 52 52 LYS HB3 H 1 1.725 0.020 . 2 . . . C 52 LYS HB3 . 19783 1 560 . 1 1 52 52 LYS HG2 H 1 1.404 0.020 . 2 . . . C 52 LYS HG2 . 19783 1 561 . 1 1 52 52 LYS HG3 H 1 1.382 0.020 . 2 . . . C 52 LYS HG3 . 19783 1 562 . 1 1 52 52 LYS HD2 H 1 1.685 0.020 . 2 . . . C 52 LYS HD2 . 19783 1 563 . 1 1 52 52 LYS HD3 H 1 1.608 0.020 . 2 . . . C 52 LYS HD3 . 19783 1 564 . 1 1 52 52 LYS HE2 H 1 2.972 0.020 . 1 . . . C 52 LYS HE2 . 19783 1 565 . 1 1 52 52 LYS HE3 H 1 2.972 0.020 . 1 . . . C 52 LYS HE3 . 19783 1 566 . 1 1 52 52 LYS C C 13 176.921 0.3 . 1 . . . C 52 LYS C . 19783 1 567 . 1 1 52 52 LYS CA C 13 57.479 0.3 . 1 . . . C 52 LYS CA . 19783 1 568 . 1 1 52 52 LYS CB C 13 33.042 0.3 . 1 . . . C 52 LYS CB . 19783 1 569 . 1 1 52 52 LYS CG C 13 24.931 0.3 . 1 . . . C 52 LYS CG . 19783 1 570 . 1 1 52 52 LYS CD C 13 29.345 0.3 . 1 . . . C 52 LYS CD . 19783 1 571 . 1 1 52 52 LYS CE C 13 42.362 0.3 . 1 . . . C 52 LYS CE . 19783 1 572 . 1 1 52 52 LYS N N 15 122.374 0.3 . 1 . . . C 52 LYS N . 19783 1 573 . 1 1 53 53 GLY H H 1 8.832 0.020 . 1 . . . C 53 GLY H . 19783 1 574 . 1 1 53 53 GLY HA2 H 1 4.093 0.020 . 2 . . . C 53 GLY HA2 . 19783 1 575 . 1 1 53 53 GLY HA3 H 1 3.633 0.020 . 2 . . . C 53 GLY HA3 . 19783 1 576 . 1 1 53 53 GLY C C 13 173.872 0.3 . 1 . . . C 53 GLY C . 19783 1 577 . 1 1 53 53 GLY CA C 13 45.656 0.3 . 1 . . . C 53 GLY CA . 19783 1 578 . 1 1 53 53 GLY N N 15 112.970 0.3 . 1 . . . C 53 GLY N . 19783 1 579 . 1 1 54 54 VAL H H 1 7.004 0.020 . 1 . . . C 54 VAL H . 19783 1 580 . 1 1 54 54 VAL HA H 1 4.483 0.020 . 1 . . . C 54 VAL HA . 19783 1 581 . 1 1 54 54 VAL HB H 1 1.941 0.020 . 1 . . . C 54 VAL HB . 19783 1 582 . 1 1 54 54 VAL HG11 H 1 0.578 0.020 . 1 . . . C 54 VAL HG11 . 19783 1 583 . 1 1 54 54 VAL HG12 H 1 0.578 0.020 . 1 . . . C 54 VAL HG12 . 19783 1 584 . 1 1 54 54 VAL HG13 H 1 0.578 0.020 . 1 . . . C 54 VAL HG13 . 19783 1 585 . 1 1 54 54 VAL HG21 H 1 0.941 0.020 . 1 . . . C 54 VAL HG21 . 19783 1 586 . 1 1 54 54 VAL HG22 H 1 0.941 0.020 . 1 . . . C 54 VAL HG22 . 19783 1 587 . 1 1 54 54 VAL HG23 H 1 0.941 0.020 . 1 . . . C 54 VAL HG23 . 19783 1 588 . 1 1 54 54 VAL C C 13 176.870 0.3 . 1 . . . C 54 VAL C . 19783 1 589 . 1 1 54 54 VAL CA C 13 62.101 0.3 . 1 . . . C 54 VAL CA . 19783 1 590 . 1 1 54 54 VAL CB C 13 33.587 0.3 . 1 . . . C 54 VAL CB . 19783 1 591 . 1 1 54 54 VAL CG1 C 13 21.779 0.3 . 1 . . . C 54 VAL CG1 . 19783 1 592 . 1 1 54 54 VAL CG2 C 13 21.667 0.3 . 1 . . . C 54 VAL CG2 . 19783 1 593 . 1 1 54 54 VAL N N 15 120.474 0.3 . 1 . . . C 54 VAL N . 19783 1 594 . 1 1 55 55 GLU H H 1 9.091 0.020 . 1 . . . C 55 GLU H . 19783 1 595 . 1 1 55 55 GLU HA H 1 4.717 0.020 . 1 . . . C 55 GLU HA . 19783 1 596 . 1 1 55 55 GLU HB2 H 1 1.946 0.020 . 2 . . . C 55 GLU HB2 . 19783 1 597 . 1 1 55 55 GLU HB3 H 1 1.819 0.020 . 2 . . . C 55 GLU HB3 . 19783 1 598 . 1 1 55 55 GLU HG2 H 1 2.166 0.020 . 2 . . . C 55 GLU HG2 . 19783 1 599 . 1 1 55 55 GLU HG3 H 1 2.259 0.020 . 2 . . . C 55 GLU HG3 . 19783 1 600 . 1 1 55 55 GLU C C 13 175.068 0.3 . 1 . . . C 55 GLU C . 19783 1 601 . 1 1 55 55 GLU CA C 13 55.831 0.3 . 1 . . . C 55 GLU CA . 19783 1 602 . 1 1 55 55 GLU CB C 13 32.917 0.3 . 1 . . . C 55 GLU CB . 19783 1 603 . 1 1 55 55 GLU CG C 13 36.372 0.3 . 1 . . . C 55 GLU CG . 19783 1 604 . 1 1 55 55 GLU N N 15 129.276 0.3 . 1 . . . C 55 GLU N . 19783 1 605 . 1 1 56 56 THR H H 1 9.162 0.020 . 1 . . . C 56 THR H . 19783 1 606 . 1 1 56 56 THR HA H 1 4.881 0.020 . 1 . . . C 56 THR HA . 19783 1 607 . 1 1 56 56 THR HB H 1 3.970 0.020 . 1 . . . C 56 THR HB . 19783 1 608 . 1 1 56 56 THR HG21 H 1 1.180 0.020 . 1 . . . C 56 THR HG21 . 19783 1 609 . 1 1 56 56 THR HG22 H 1 1.180 0.020 . 1 . . . C 56 THR HG22 . 19783 1 610 . 1 1 56 56 THR HG23 H 1 1.180 0.020 . 1 . . . C 56 THR HG23 . 19783 1 611 . 1 1 56 56 THR CA C 13 62.268 0.3 . 1 . . . C 56 THR CA . 19783 1 612 . 1 1 56 56 THR CB C 13 69.679 0.3 . 1 . . . C 56 THR CB . 19783 1 613 . 1 1 56 56 THR CG2 C 13 23.943 0.3 . 1 . . . C 56 THR CG2 . 19783 1 614 . 1 1 56 56 THR N N 15 126.675 0.3 . 1 . . . C 56 THR N . 19783 1 615 . 1 1 57 57 GLN H H 1 8.638 0.020 . 1 . . . C 57 GLN H . 19783 1 616 . 1 1 57 57 GLN HA H 1 4.389 0.020 . 1 . . . C 57 GLN HA . 19783 1 617 . 1 1 57 57 GLN HB2 H 1 2.349 0.020 . 2 . . . C 57 GLN HB2 . 19783 1 618 . 1 1 57 57 GLN HB3 H 1 2.219 0.020 . 2 . . . C 57 GLN HB3 . 19783 1 619 . 1 1 57 57 GLN HG2 H 1 2.475 0.020 . 1 . . . C 57 GLN HG2 . 19783 1 620 . 1 1 57 57 GLN HG3 H 1 2.475 0.020 . 1 . . . C 57 GLN HG3 . 19783 1 621 . 1 1 57 57 GLN HE21 H 1 7.557 0.020 . 1 . . . C 57 GLN HE21 . 19783 1 622 . 1 1 57 57 GLN HE22 H 1 6.896 0.020 . 1 . . . C 57 GLN HE22 . 19783 1 623 . 1 1 57 57 GLN C C 13 175.254 0.3 . 1 . . . C 57 GLN C . 19783 1 624 . 1 1 57 57 GLN CA C 13 55.285 0.3 . 1 . . . C 57 GLN CA . 19783 1 625 . 1 1 57 57 GLN CB C 13 30.505 0.3 . 1 . . . C 57 GLN CB . 19783 1 626 . 1 1 57 57 GLN CG C 13 34.492 0.3 . 1 . . . C 57 GLN CG . 19783 1 627 . 1 1 57 57 GLN N N 15 127.368 0.3 . 1 . . . C 57 GLN N . 19783 1 628 . 1 1 57 57 GLN NE2 N 15 111.875 0.3 . 1 . . . C 57 GLN NE2 . 19783 1 629 . 1 1 58 58 ASN H H 1 8.398 0.020 . 1 . . . C 58 ASN H . 19783 1 630 . 1 1 58 58 ASN HA H 1 4.840 0.020 . 1 . . . C 58 ASN HA . 19783 1 631 . 1 1 58 58 ASN HB2 H 1 2.873 0.020 . 2 . . . C 58 ASN HB2 . 19783 1 632 . 1 1 58 58 ASN HB3 H 1 2.665 0.020 . 2 . . . C 58 ASN HB3 . 19783 1 633 . 1 1 58 58 ASN HD21 H 1 7.317 0.020 . 1 . . . C 58 ASN HD21 . 19783 1 634 . 1 1 58 58 ASN HD22 H 1 6.553 0.020 . 1 . . . C 58 ASN HD22 . 19783 1 635 . 1 1 58 58 ASN CA C 13 52.081 0.3 . 1 . . . C 58 ASN CA . 19783 1 636 . 1 1 58 58 ASN CB C 13 37.293 0.3 . 1 . . . C 58 ASN CB . 19783 1 637 . 1 1 58 58 ASN N N 15 118.031 0.3 . 1 . . . C 58 ASN N . 19783 1 638 . 1 1 58 58 ASN ND2 N 15 109.463 0.3 . 1 . . . C 58 ASN ND2 . 19783 1 639 . 1 1 59 59 PRO HA H 1 4.615 0.020 . 1 . . . C 59 PRO HA . 19783 1 640 . 1 1 59 59 PRO HB2 H 1 2.317 0.020 . 2 . . . C 59 PRO HB2 . 19783 1 641 . 1 1 59 59 PRO HB3 H 1 1.733 0.020 . 2 . . . C 59 PRO HB3 . 19783 1 642 . 1 1 59 59 PRO HG2 H 1 2.103 0.020 . 2 . . . C 59 PRO HG2 . 19783 1 643 . 1 1 59 59 PRO HG3 H 1 1.990 0.020 . 2 . . . C 59 PRO HG3 . 19783 1 644 . 1 1 59 59 PRO HD2 H 1 3.880 0.020 . 2 . . . C 59 PRO HD2 . 19783 1 645 . 1 1 59 59 PRO HD3 H 1 3.666 0.020 . 2 . . . C 59 PRO HD3 . 19783 1 646 . 1 1 59 59 PRO CA C 13 63.453 0.3 . 1 . . . C 59 PRO CA . 19783 1 647 . 1 1 59 59 PRO CB C 13 32.262 0.3 . 1 . . . C 59 PRO CB . 19783 1 648 . 1 1 59 59 PRO CG C 13 27.617 0.3 . 1 . . . C 59 PRO CG . 19783 1 649 . 1 1 59 59 PRO CD C 13 50.677 0.3 . 1 . . . C 59 PRO CD . 19783 1 650 . 1 1 60 60 GLU H H 1 8.704 0.020 . 1 . . . C 60 GLU H . 19783 1 651 . 1 1 60 60 GLU HA H 1 4.638 0.020 . 1 . . . C 60 GLU HA . 19783 1 652 . 1 1 60 60 GLU HB2 H 1 2.083 0.020 . 2 . . . C 60 GLU HB2 . 19783 1 653 . 1 1 60 60 GLU HB3 H 1 1.824 0.020 . 2 . . . C 60 GLU HB3 . 19783 1 654 . 1 1 60 60 GLU HG2 H 1 2.160 0.020 . 2 . . . C 60 GLU HG2 . 19783 1 655 . 1 1 60 60 GLU HG3 H 1 2.311 0.020 . 2 . . . C 60 GLU HG3 . 19783 1 656 . 1 1 60 60 GLU C C 13 175.574 0.3 . 1 . . . C 60 GLU C . 19783 1 657 . 1 1 60 60 GLU CA C 13 54.797 0.3 . 1 . . . C 60 GLU CA . 19783 1 658 . 1 1 60 60 GLU CB C 13 32.614 0.3 . 1 . . . C 60 GLU CB . 19783 1 659 . 1 1 60 60 GLU CG C 13 36.393 0.3 . 1 . . . C 60 GLU CG . 19783 1 660 . 1 1 60 60 GLU N N 15 122.445 0.3 . 1 . . . C 60 GLU N . 19783 1 661 . 1 1 61 61 TRP H H 1 8.817 0.020 . 1 . . . C 61 TRP H . 19783 1 662 . 1 1 61 61 TRP HA H 1 5.060 0.020 . 1 . . . C 61 TRP HA . 19783 1 663 . 1 1 61 61 TRP HB2 H 1 3.119 0.020 . 2 . . . C 61 TRP HB2 . 19783 1 664 . 1 1 61 61 TRP HB3 H 1 3.213 0.020 . 2 . . . C 61 TRP HB3 . 19783 1 665 . 1 1 61 61 TRP HD1 H 1 7.122 0.020 . 1 . . . C 61 TRP HD1 . 19783 1 666 . 1 1 61 61 TRP HE1 H 1 9.976 0.020 . 1 . . . C 61 TRP HE1 . 19783 1 667 . 1 1 61 61 TRP HE3 H 1 7.525 0.020 . 1 . . . C 61 TRP HE3 . 19783 1 668 . 1 1 61 61 TRP C C 13 176.651 0.3 . 1 . . . C 61 TRP C . 19783 1 669 . 1 1 61 61 TRP CA C 13 57.163 0.3 . 1 . . . C 61 TRP CA . 19783 1 670 . 1 1 61 61 TRP CB C 13 30.886 0.3 . 1 . . . C 61 TRP CB . 19783 1 671 . 1 1 61 61 TRP N N 15 125.833 0.3 . 1 . . . C 61 TRP N . 19783 1 672 . 1 1 62 62 SER H H 1 8.551 0.020 . 1 . . . C 62 SER H . 19783 1 673 . 1 1 62 62 SER HA H 1 4.424 0.020 . 1 . . . C 62 SER HA . 19783 1 674 . 1 1 62 62 SER HB2 H 1 3.748 0.020 . 2 . . . C 62 SER HB2 . 19783 1 675 . 1 1 62 62 SER HB3 H 1 3.664 0.020 . 2 . . . C 62 SER HB3 . 19783 1 676 . 1 1 62 62 SER C C 13 174.614 0.3 . 1 . . . C 62 SER C . 19783 1 677 . 1 1 62 62 SER CA C 13 57.422 0.3 . 1 . . . C 62 SER CA . 19783 1 678 . 1 1 62 62 SER CB C 13 64.113 0.3 . 1 . . . C 62 SER CB . 19783 1 679 . 1 1 62 62 SER N N 15 120.682 0.3 . 1 . . . C 62 SER N . 19783 1 680 . 1 1 63 63 GLY H H 1 6.895 0.020 . 1 . . . C 63 GLY H . 19783 1 681 . 1 1 63 63 GLY HA2 H 1 4.092 0.020 . 2 . . . C 63 GLY HA2 . 19783 1 682 . 1 1 63 63 GLY HA3 H 1 3.318 0.020 . 2 . . . C 63 GLY HA3 . 19783 1 683 . 1 1 63 63 GLY CA C 13 46.488 0.3 . 1 . . . C 63 GLY CA . 19783 1 684 . 1 1 63 63 GLY N N 15 112.655 0.3 . 1 . . . C 63 GLY N . 19783 1 685 . 1 1 64 64 SER HA H 1 4.347 0.020 . 1 . . . C 64 SER HA . 19783 1 686 . 1 1 64 64 SER HB2 H 1 3.811 0.020 . 2 . . . C 64 SER HB2 . 19783 1 687 . 1 1 64 64 SER HB3 H 1 3.746 0.020 . 2 . . . C 64 SER HB3 . 19783 1 688 . 1 1 64 64 SER CA C 13 59.027 0.3 . 1 . . . C 64 SER CA . 19783 1 689 . 1 1 64 64 SER CB C 13 63.975 0.3 . 1 . . . C 64 SER CB . 19783 1 690 . 1 1 65 65 LYS H H 1 7.441 0.020 . 1 . . . C 65 LYS H . 19783 1 691 . 1 1 65 65 LYS HA H 1 4.483 0.020 . 1 . . . C 65 LYS HA . 19783 1 692 . 1 1 65 65 LYS HB2 H 1 1.619 0.020 . 2 . . . C 65 LYS HB2 . 19783 1 693 . 1 1 65 65 LYS HB3 H 1 1.506 0.020 . 2 . . . C 65 LYS HB3 . 19783 1 694 . 1 1 65 65 LYS HG2 H 1 1.140 0.020 . 2 . . . C 65 LYS HG2 . 19783 1 695 . 1 1 65 65 LYS HG3 H 1 1.118 0.020 . 2 . . . C 65 LYS HG3 . 19783 1 696 . 1 1 65 65 LYS HD2 H 1 1.472 0.020 . 2 . . . C 65 LYS HD2 . 19783 1 697 . 1 1 65 65 LYS HD3 H 1 1.333 0.020 . 2 . . . C 65 LYS HD3 . 19783 1 698 . 1 1 65 65 LYS HE2 H 1 2.776 0.020 . 1 . . . C 65 LYS HE2 . 19783 1 699 . 1 1 65 65 LYS HE3 H 1 2.776 0.020 . 1 . . . C 65 LYS HE3 . 19783 1 700 . 1 1 65 65 LYS C C 13 174.816 0.3 . 1 . . . C 65 LYS C . 19783 1 701 . 1 1 65 65 LYS CA C 13 54.862 0.3 . 1 . . . C 65 LYS CA . 19783 1 702 . 1 1 65 65 LYS CB C 13 35.788 0.3 . 1 . . . C 65 LYS CB . 19783 1 703 . 1 1 65 65 LYS CG C 13 24.971 0.3 . 1 . . . C 65 LYS CG . 19783 1 704 . 1 1 65 65 LYS CD C 13 29.345 0.3 . 1 . . . C 65 LYS CD . 19783 1 705 . 1 1 65 65 LYS CE C 13 42.362 0.3 . 1 . . . C 65 LYS CE . 19783 1 706 . 1 1 65 65 LYS N N 15 120.463 0.3 . 1 . . . C 65 LYS N . 19783 1 707 . 1 1 66 66 SER H H 1 8.522 0.020 . 1 . . . C 66 SER H . 19783 1 708 . 1 1 66 66 SER HA H 1 4.999 0.020 . 1 . . . C 66 SER HA . 19783 1 709 . 1 1 66 66 SER HB2 H 1 2.938 0.020 . 2 . . . C 66 SER HB2 . 19783 1 710 . 1 1 66 66 SER HB3 H 1 2.208 0.020 . 2 . . . C 66 SER HB3 . 19783 1 711 . 1 1 66 66 SER C C 13 172.205 0.3 . 1 . . . C 66 SER C . 19783 1 712 . 1 1 66 66 SER CA C 13 57.739 0.3 . 1 . . . C 66 SER CA . 19783 1 713 . 1 1 66 66 SER CB C 13 64.876 0.3 . 1 . . . C 66 SER CB . 19783 1 714 . 1 1 66 66 SER N N 15 117.984 0.3 . 1 . . . C 66 SER N . 19783 1 715 . 1 1 67 67 THR H H 1 8.354 0.020 . 1 . . . C 67 THR H . 19783 1 716 . 1 1 67 67 THR HA H 1 5.608 0.020 . 1 . . . C 67 THR HA . 19783 1 717 . 1 1 67 67 THR HB H 1 3.830 0.020 . 1 . . . C 67 THR HB . 19783 1 718 . 1 1 67 67 THR HG21 H 1 0.980 0.020 . 1 . . . C 67 THR HG21 . 19783 1 719 . 1 1 67 67 THR HG22 H 1 0.980 0.020 . 1 . . . C 67 THR HG22 . 19783 1 720 . 1 1 67 67 THR HG23 H 1 0.980 0.020 . 1 . . . C 67 THR HG23 . 19783 1 721 . 1 1 67 67 THR C C 13 175.102 0.3 . 1 . . . C 67 THR C . 19783 1 722 . 1 1 67 67 THR CA C 13 60.739 0.3 . 1 . . . C 67 THR CA . 19783 1 723 . 1 1 67 67 THR CB C 13 72.013 0.3 . 1 . . . C 67 THR CB . 19783 1 724 . 1 1 67 67 THR CG2 C 13 21.366 0.3 . 1 . . . C 67 THR CG2 . 19783 1 725 . 1 1 67 67 THR N N 15 115.663 0.3 . 1 . . . C 67 THR N . 19783 1 726 . 1 1 68 68 ILE H H 1 9.529 0.020 . 1 . . . C 68 ILE H . 19783 1 727 . 1 1 68 68 ILE HA H 1 4.303 0.020 . 1 . . . C 68 ILE HA . 19783 1 728 . 1 1 68 68 ILE HB H 1 1.439 0.020 . 1 . . . C 68 ILE HB . 19783 1 729 . 1 1 68 68 ILE HG12 H 1 1.772 0.020 . 1 . . . C 68 ILE HG12 . 19783 1 730 . 1 1 68 68 ILE HG13 H 1 1.772 0.020 . 1 . . . C 68 ILE HG13 . 19783 1 731 . 1 1 68 68 ILE HG21 H 1 0.817 0.020 . 1 . . . C 68 ILE HG21 . 19783 1 732 . 1 1 68 68 ILE HG22 H 1 0.817 0.020 . 1 . . . C 68 ILE HG22 . 19783 1 733 . 1 1 68 68 ILE HG23 H 1 0.817 0.020 . 1 . . . C 68 ILE HG23 . 19783 1 734 . 1 1 68 68 ILE HD11 H 1 0.804 0.020 . 1 . . . C 68 ILE HD11 . 19783 1 735 . 1 1 68 68 ILE HD12 H 1 0.804 0.020 . 1 . . . C 68 ILE HD12 . 19783 1 736 . 1 1 68 68 ILE HD13 H 1 0.804 0.020 . 1 . . . C 68 ILE HD13 . 19783 1 737 . 1 1 68 68 ILE C C 13 173.519 0.3 . 1 . . . C 68 ILE C . 19783 1 738 . 1 1 68 68 ILE CA C 13 61.276 0.3 . 1 . . . C 68 ILE CA . 19783 1 739 . 1 1 68 68 ILE CB C 13 43.127 0.3 . 1 . . . C 68 ILE CB . 19783 1 740 . 1 1 68 68 ILE CG1 C 13 29.413 0.3 . 1 . . . C 68 ILE CG1 . 19783 1 741 . 1 1 68 68 ILE CG2 C 13 17.608 0.3 . 1 . . . C 68 ILE CG2 . 19783 1 742 . 1 1 68 68 ILE CD1 C 13 15.050 0.3 . 1 . . . C 68 ILE CD1 . 19783 1 743 . 1 1 68 68 ILE N N 15 127.394 0.3 . 1 . . . C 68 ILE N . 19783 1 744 . 1 1 69 69 VAL H H 1 7.253 0.020 . 1 . . . C 69 VAL H . 19783 1 745 . 1 1 69 69 VAL HA H 1 4.857 0.020 . 1 . . . C 69 VAL HA . 19783 1 746 . 1 1 69 69 VAL HB H 1 1.766 0.020 . 1 . . . C 69 VAL HB . 19783 1 747 . 1 1 69 69 VAL HG11 H 1 0.811 0.020 . 1 . . . C 69 VAL HG11 . 19783 1 748 . 1 1 69 69 VAL HG12 H 1 0.811 0.020 . 1 . . . C 69 VAL HG12 . 19783 1 749 . 1 1 69 69 VAL HG13 H 1 0.811 0.020 . 1 . . . C 69 VAL HG13 . 19783 1 750 . 1 1 69 69 VAL HG21 H 1 0.857 0.020 . 1 . . . C 69 VAL HG21 . 19783 1 751 . 1 1 69 69 VAL HG22 H 1 0.857 0.020 . 1 . . . C 69 VAL HG22 . 19783 1 752 . 1 1 69 69 VAL HG23 H 1 0.857 0.020 . 1 . . . C 69 VAL HG23 . 19783 1 753 . 1 1 69 69 VAL C C 13 174.917 0.3 . 1 . . . C 69 VAL C . 19783 1 754 . 1 1 69 69 VAL CA C 13 61.241 0.3 . 1 . . . C 69 VAL CA . 19783 1 755 . 1 1 69 69 VAL CB C 13 34.136 0.3 . 1 . . . C 69 VAL CB . 19783 1 756 . 1 1 69 69 VAL CG1 C 13 21.896 0.3 . 1 . . . C 69 VAL CG1 . 19783 1 757 . 1 1 69 69 VAL CG2 C 13 21.775 0.3 . 1 . . . C 69 VAL CG2 . 19783 1 758 . 1 1 69 69 VAL N N 15 125.903 0.3 . 1 . . . C 69 VAL N . 19783 1 759 . 1 1 70 70 SER H H 1 9.302 0.020 . 1 . . . C 70 SER H . 19783 1 760 . 1 1 70 70 SER HA H 1 5.397 0.020 . 1 . . . C 70 SER HA . 19783 1 761 . 1 1 70 70 SER HB2 H 1 3.743 0.020 . 2 . . . C 70 SER HB2 . 19783 1 762 . 1 1 70 70 SER HB3 H 1 3.631 0.020 . 2 . . . C 70 SER HB3 . 19783 1 763 . 1 1 70 70 SER C C 13 173.047 0.3 . 1 . . . C 70 SER C . 19783 1 764 . 1 1 70 70 SER CA C 13 56.407 0.3 . 1 . . . C 70 SER CA . 19783 1 765 . 1 1 70 70 SER CB C 13 64.832 0.3 . 1 . . . C 70 SER CB . 19783 1 766 . 1 1 70 70 SER N N 15 121.681 0.3 . 1 . . . C 70 SER N . 19783 1 767 . 1 1 71 71 LYS H H 1 9.029 0.020 . 1 . . . C 71 LYS H . 19783 1 768 . 1 1 71 71 LYS HA H 1 5.360 0.020 . 1 . . . C 71 LYS HA . 19783 1 769 . 1 1 71 71 LYS HB2 H 1 1.663 0.020 . 2 . . . C 71 LYS HB2 . 19783 1 770 . 1 1 71 71 LYS HB3 H 1 1.375 0.020 . 2 . . . C 71 LYS HB3 . 19783 1 771 . 1 1 71 71 LYS HG2 H 1 1.207 0.020 . 1 . . . C 71 LYS HG2 . 19783 1 772 . 1 1 71 71 LYS HG3 H 1 1.207 0.020 . 1 . . . C 71 LYS HG3 . 19783 1 773 . 1 1 71 71 LYS HD2 H 1 1.465 0.020 . 2 . . . C 71 LYS HD2 . 19783 1 774 . 1 1 71 71 LYS HD3 H 1 1.506 0.020 . 2 . . . C 71 LYS HD3 . 19783 1 775 . 1 1 71 71 LYS HE2 H 1 2.726 0.020 . 1 . . . C 71 LYS HE2 . 19783 1 776 . 1 1 71 71 LYS HE3 H 1 2.726 0.020 . 1 . . . C 71 LYS HE3 . 19783 1 777 . 1 1 71 71 LYS C C 13 173.603 0.3 . 1 . . . C 71 LYS C . 19783 1 778 . 1 1 71 71 LYS CA C 13 54.771 0.3 . 1 . . . C 71 LYS CA . 19783 1 779 . 1 1 71 71 LYS CB C 13 36.108 0.3 . 1 . . . C 71 LYS CB . 19783 1 780 . 1 1 71 71 LYS CG C 13 26.149 0.3 . 1 . . . C 71 LYS CG . 19783 1 781 . 1 1 71 71 LYS CD C 13 29.504 0.3 . 1 . . . C 71 LYS CD . 19783 1 782 . 1 1 71 71 LYS CE C 13 42.389 0.3 . 1 . . . C 71 LYS CE . 19783 1 783 . 1 1 71 71 LYS N N 15 127.421 0.3 . 1 . . . C 71 LYS N . 19783 1 784 . 1 1 72 72 LEU H H 1 8.407 0.020 . 1 . . . C 72 LEU H . 19783 1 785 . 1 1 72 72 LEU HA H 1 4.282 0.020 . 1 . . . C 72 LEU HA . 19783 1 786 . 1 1 72 72 LEU HB2 H 1 0.215 0.020 . 2 . . . C 72 LEU HB2 . 19783 1 787 . 1 1 72 72 LEU HB3 H 1 -1.216 0.020 . 2 . . . C 72 LEU HB3 . 19783 1 788 . 1 1 72 72 LEU HG H 1 0.239 0.020 . 1 . . . C 72 LEU HG . 19783 1 789 . 1 1 72 72 LEU HD11 H 1 0.165 0.020 . 1 . . . C 72 LEU HD11 . 19783 1 790 . 1 1 72 72 LEU HD12 H 1 0.165 0.020 . 1 . . . C 72 LEU HD12 . 19783 1 791 . 1 1 72 72 LEU HD13 H 1 0.165 0.020 . 1 . . . C 72 LEU HD13 . 19783 1 792 . 1 1 72 72 LEU HD21 H 1 0.598 0.020 . 1 . . . C 72 LEU HD21 . 19783 1 793 . 1 1 72 72 LEU HD22 H 1 0.598 0.020 . 1 . . . C 72 LEU HD22 . 19783 1 794 . 1 1 72 72 LEU HD23 H 1 0.598 0.020 . 1 . . . C 72 LEU HD23 . 19783 1 795 . 1 1 72 72 LEU C C 13 174.075 0.3 . 1 . . . C 72 LEU C . 19783 1 796 . 1 1 72 72 LEU CA C 13 53.000 0.3 . 1 . . . C 72 LEU CA . 19783 1 797 . 1 1 72 72 LEU CB C 13 41.516 0.3 . 1 . . . C 72 LEU CB . 19783 1 798 . 1 1 72 72 LEU CG C 13 27.403 0.3 . 1 . . . C 72 LEU CG . 19783 1 799 . 1 1 72 72 LEU CD1 C 13 24.054 0.3 . 1 . . . C 72 LEU CD1 . 19783 1 800 . 1 1 72 72 LEU CD2 C 13 23.499 0.3 . 1 . . . C 72 LEU CD2 . 19783 1 801 . 1 1 72 72 LEU N N 15 124.252 0.3 . 1 . . . C 72 LEU N . 19783 1 802 . 1 1 73 73 LYS H H 1 8.090 0.020 . 1 . . . C 73 LYS H . 19783 1 803 . 1 1 73 73 LYS HA H 1 4.778 0.020 . 1 . . . C 73 LYS HA . 19783 1 804 . 1 1 73 73 LYS HB2 H 1 1.545 0.020 . 2 . . . C 73 LYS HB2 . 19783 1 805 . 1 1 73 73 LYS HB3 H 1 1.468 0.020 . 2 . . . C 73 LYS HB3 . 19783 1 806 . 1 1 73 73 LYS HG2 H 1 1.105 0.020 . 2 . . . C 73 LYS HG2 . 19783 1 807 . 1 1 73 73 LYS HG3 H 1 1.103 0.020 . 2 . . . C 73 LYS HG3 . 19783 1 808 . 1 1 73 73 LYS HD2 H 1 1.537 0.020 . 2 . . . C 73 LYS HD2 . 19783 1 809 . 1 1 73 73 LYS HD3 H 1 1.132 0.020 . 2 . . . C 73 LYS HD3 . 19783 1 810 . 1 1 73 73 LYS HE2 H 1 2.730 0.020 . 1 . . . C 73 LYS HE2 . 19783 1 811 . 1 1 73 73 LYS HE3 H 1 2.730 0.020 . 1 . . . C 73 LYS HE3 . 19783 1 812 . 1 1 73 73 LYS C C 13 176.331 0.3 . 1 . . . C 73 LYS C . 19783 1 813 . 1 1 73 73 LYS CA C 13 55.250 0.3 . 1 . . . C 73 LYS CA . 19783 1 814 . 1 1 73 73 LYS CB C 13 33.333 0.3 . 1 . . . C 73 LYS CB . 19783 1 815 . 1 1 73 73 LYS CG C 13 24.876 0.3 . 1 . . . C 73 LYS CG . 19783 1 816 . 1 1 73 73 LYS CD C 13 30.912 0.3 . 1 . . . C 73 LYS CD . 19783 1 817 . 1 1 73 73 LYS CE C 13 41.960 0.3 . 1 . . . C 73 LYS CE . 19783 1 818 . 1 1 73 73 LYS N N 15 128.141 0.3 . 1 . . . C 73 LYS N . 19783 1 819 . 1 1 74 74 VAL H H 1 8.730 0.020 . 1 . . . C 74 VAL H . 19783 1 820 . 1 1 74 74 VAL HA H 1 4.632 0.020 . 1 . . . C 74 VAL HA . 19783 1 821 . 1 1 74 74 VAL HB H 1 2.380 0.020 . 1 . . . C 74 VAL HB . 19783 1 822 . 1 1 74 74 VAL HG11 H 1 0.660 0.020 . 1 . . . C 74 VAL HG11 . 19783 1 823 . 1 1 74 74 VAL HG12 H 1 0.660 0.020 . 1 . . . C 74 VAL HG12 . 19783 1 824 . 1 1 74 74 VAL HG13 H 1 0.660 0.020 . 1 . . . C 74 VAL HG13 . 19783 1 825 . 1 1 74 74 VAL HG21 H 1 0.708 0.020 . 1 . . . C 74 VAL HG21 . 19783 1 826 . 1 1 74 74 VAL HG22 H 1 0.708 0.020 . 1 . . . C 74 VAL HG22 . 19783 1 827 . 1 1 74 74 VAL HG23 H 1 0.708 0.020 . 1 . . . C 74 VAL HG23 . 19783 1 828 . 1 1 74 74 VAL C C 13 175.590 0.3 . 1 . . . C 74 VAL C . 19783 1 829 . 1 1 74 74 VAL CA C 13 58.455 0.3 . 1 . . . C 74 VAL CA . 19783 1 830 . 1 1 74 74 VAL CB C 13 35.744 0.3 . 1 . . . C 74 VAL CB . 19783 1 831 . 1 1 74 74 VAL CG1 C 13 22.183 0.3 . 1 . . . C 74 VAL CG1 . 19783 1 832 . 1 1 74 74 VAL CG2 C 13 18.136 0.3 . 1 . . . C 74 VAL CG2 . 19783 1 833 . 1 1 74 74 VAL N N 15 121.453 0.3 . 1 . . . C 74 VAL N . 19783 1 834 . 1 1 75 75 MET H H 1 8.724 0.020 . 1 . . . C 75 MET H . 19783 1 835 . 1 1 75 75 MET HA H 1 4.560 0.020 . 1 . . . C 75 MET HA . 19783 1 836 . 1 1 75 75 MET HB2 H 1 2.304 0.020 . 2 . . . C 75 MET HB2 . 19783 1 837 . 1 1 75 75 MET HB3 H 1 2.000 0.020 . 2 . . . C 75 MET HB3 . 19783 1 838 . 1 1 75 75 MET HG2 H 1 2.792 0.020 . 2 . . . C 75 MET HG2 . 19783 1 839 . 1 1 75 75 MET HG3 H 1 2.635 0.020 . 2 . . . C 75 MET HG3 . 19783 1 840 . 1 1 75 75 MET HE1 H 1 2.077 0.020 . 1 . . . C 75 MET HE1 . 19783 1 841 . 1 1 75 75 MET HE2 H 1 2.077 0.020 . 1 . . . C 75 MET HE2 . 19783 1 842 . 1 1 75 75 MET HE3 H 1 2.077 0.020 . 1 . . . C 75 MET HE3 . 19783 1 843 . 1 1 75 75 MET CA C 13 55.753 0.3 . 1 . . . C 75 MET CA . 19783 1 844 . 1 1 75 75 MET CB C 13 32.563 0.3 . 1 . . . C 75 MET CB . 19783 1 845 . 1 1 75 75 MET CG C 13 32.366 0.3 . 1 . . . C 75 MET CG . 19783 1 846 . 1 1 75 75 MET CE C 13 16.852 0.3 . 1 . . . C 75 MET CE . 19783 1 847 . 1 1 75 75 MET N N 15 119.151 0.3 . 1 . . . C 75 MET N . 19783 1 848 . 1 1 76 76 ALA H H 1 8.460 0.020 . 1 . . . C 76 ALA H . 19783 1 849 . 1 1 76 76 ALA HA H 1 3.742 0.020 . 1 . . . C 76 ALA HA . 19783 1 850 . 1 1 76 76 ALA HB1 H 1 1.191 0.020 . 1 . . . C 76 ALA HB1 . 19783 1 851 . 1 1 76 76 ALA HB2 H 1 1.191 0.020 . 1 . . . C 76 ALA HB2 . 19783 1 852 . 1 1 76 76 ALA HB3 H 1 1.191 0.020 . 1 . . . C 76 ALA HB3 . 19783 1 853 . 1 1 76 76 ALA C C 13 178.487 0.3 . 1 . . . C 76 ALA C . 19783 1 854 . 1 1 76 76 ALA CA C 13 55.953 0.3 . 1 . . . C 76 ALA CA . 19783 1 855 . 1 1 76 76 ALA CB C 13 17.994 0.3 . 1 . . . C 76 ALA CB . 19783 1 856 . 1 1 76 76 ALA N N 15 127.351 0.3 . 1 . . . C 76 ALA N . 19783 1 857 . 1 1 77 77 SER H H 1 8.460 0.020 . 1 . . . C 77 SER H . 19783 1 858 . 1 1 77 77 SER HA H 1 4.149 0.020 . 1 . . . C 77 SER HA . 19783 1 859 . 1 1 77 77 SER HB2 H 1 3.882 0.020 . 1 . . . C 77 SER HB2 . 19783 1 860 . 1 1 77 77 SER HB3 H 1 3.882 0.020 . 1 . . . C 77 SER HB3 . 19783 1 861 . 1 1 77 77 SER C C 13 176.550 0.3 . 1 . . . C 77 SER C . 19783 1 862 . 1 1 77 77 SER CA C 13 60.894 0.3 . 1 . . . C 77 SER CA . 19783 1 863 . 1 1 77 77 SER CB C 13 61.996 0.3 . 1 . . . C 77 SER CB . 19783 1 864 . 1 1 77 77 SER N N 15 110.202 0.3 . 1 . . . C 77 SER N . 19783 1 865 . 1 1 78 78 GLU H H 1 7.336 0.020 . 1 . . . C 78 GLU H . 19783 1 866 . 1 1 78 78 GLU HA H 1 4.150 0.020 . 1 . . . C 78 GLU HA . 19783 1 867 . 1 1 78 78 GLU HB2 H 1 2.418 0.020 . 1 . . . C 78 GLU HB2 . 19783 1 868 . 1 1 78 78 GLU HB3 H 1 2.418 0.020 . 1 . . . C 78 GLU HB3 . 19783 1 869 . 1 1 78 78 GLU HG2 H 1 2.248 0.020 . 2 . . . C 78 GLU HG2 . 19783 1 870 . 1 1 78 78 GLU HG3 H 1 2.510 0.020 . 2 . . . C 78 GLU HG3 . 19783 1 871 . 1 1 78 78 GLU C C 13 179.599 0.3 . 1 . . . C 78 GLU C . 19783 1 872 . 1 1 78 78 GLU CA C 13 59.118 0.3 . 1 . . . C 78 GLU CA . 19783 1 873 . 1 1 78 78 GLU CB C 13 31.372 0.3 . 1 . . . C 78 GLU CB . 19783 1 874 . 1 1 78 78 GLU CG C 13 38.107 0.3 . 1 . . . C 78 GLU CG . 19783 1 875 . 1 1 78 78 GLU N N 15 124.828 0.3 . 1 . . . C 78 GLU N . 19783 1 876 . 1 1 79 79 TRP H H 1 7.469 0.020 . 1 . . . C 79 TRP H . 19783 1 877 . 1 1 79 79 TRP HA H 1 4.634 0.020 . 1 . . . C 79 TRP HA . 19783 1 878 . 1 1 79 79 TRP HB2 H 1 3.041 0.020 . 2 . . . C 79 TRP HB2 . 19783 1 879 . 1 1 79 79 TRP HB3 H 1 3.270 0.020 . 2 . . . C 79 TRP HB3 . 19783 1 880 . 1 1 79 79 TRP HD1 H 1 7.139 0.020 . 1 . . . C 79 TRP HD1 . 19783 1 881 . 1 1 79 79 TRP HE1 H 1 10.504 0.020 . 1 . . . C 79 TRP HE1 . 19783 1 882 . 1 1 79 79 TRP HZ2 H 1 7.392 0.020 . 1 . . . C 79 TRP HZ2 . 19783 1 883 . 1 1 79 79 TRP HZ3 H 1 6.627 0.020 . 1 . . . C 79 TRP HZ3 . 19783 1 884 . 1 1 79 79 TRP HH2 H 1 6.878 0.020 . 1 . . . C 79 TRP HH2 . 19783 1 885 . 1 1 79 79 TRP CA C 13 60.794 0.3 . 1 . . . C 79 TRP CA . 19783 1 886 . 1 1 79 79 TRP CB C 13 29.468 0.3 . 1 . . . C 79 TRP CB . 19783 1 887 . 1 1 79 79 TRP N N 15 123.252 0.3 . 1 . . . C 79 TRP N . 19783 1 888 . 1 1 79 79 TRP NE1 N 15 129.058 0.3 . 1 . . . C 79 TRP NE1 . 19783 1 889 . 1 1 80 80 ASP H H 1 8.816 0.020 . 1 . . . C 80 ASP H . 19783 1 890 . 1 1 80 80 ASP HA H 1 4.293 0.020 . 1 . . . C 80 ASP HA . 19783 1 891 . 1 1 80 80 ASP HB2 H 1 2.677 0.020 . 2 . . . C 80 ASP HB2 . 19783 1 892 . 1 1 80 80 ASP HB3 H 1 2.557 0.020 . 2 . . . C 80 ASP HB3 . 19783 1 893 . 1 1 80 80 ASP C C 13 177.174 0.3 . 1 . . . C 80 ASP C . 19783 1 894 . 1 1 80 80 ASP CA C 13 56.607 0.3 . 1 . . . C 80 ASP CA . 19783 1 895 . 1 1 80 80 ASP CB C 13 41.334 0.3 . 1 . . . C 80 ASP CB . 19783 1 896 . 1 1 80 80 ASP N N 15 116.114 0.3 . 1 . . . C 80 ASP N . 19783 1 897 . 1 1 81 81 SER H H 1 7.393 0.020 . 1 . . . C 81 SER H . 19783 1 898 . 1 1 81 81 SER HA H 1 4.338 0.020 . 1 . . . C 81 SER HA . 19783 1 899 . 1 1 81 81 SER HB2 H 1 4.051 0.020 . 2 . . . C 81 SER HB2 . 19783 1 900 . 1 1 81 81 SER HB3 H 1 4.006 0.020 . 2 . . . C 81 SER HB3 . 19783 1 901 . 1 1 81 81 SER C C 13 175.203 0.3 . 1 . . . C 81 SER C . 19783 1 902 . 1 1 81 81 SER CA C 13 59.645 0.3 . 1 . . . C 81 SER CA . 19783 1 903 . 1 1 81 81 SER CB C 13 64.055 0.3 . 1 . . . C 81 SER CB . 19783 1 904 . 1 1 81 81 SER N N 15 112.692 0.3 . 1 . . . C 81 SER N . 19783 1 905 . 1 1 82 82 GLY H H 1 7.587 0.020 . 1 . . . C 82 GLY H . 19783 1 906 . 1 1 82 82 GLY HA2 H 1 4.123 0.020 . 2 . . . C 82 GLY HA2 . 19783 1 907 . 1 1 82 82 GLY HA3 H 1 3.716 0.020 . 2 . . . C 82 GLY HA3 . 19783 1 908 . 1 1 82 82 GLY C C 13 173.687 0.3 . 1 . . . C 82 GLY C . 19783 1 909 . 1 1 82 82 GLY CA C 13 46.220 0.3 . 1 . . . C 82 GLY CA . 19783 1 910 . 1 1 82 82 GLY N N 15 108.811 0.3 . 1 . . . C 82 GLY N . 19783 1 911 . 1 1 83 83 THR H H 1 6.788 0.020 . 1 . . . C 83 THR H . 19783 1 912 . 1 1 83 83 THR HA H 1 3.668 0.020 . 1 . . . C 83 THR HA . 19783 1 913 . 1 1 83 83 THR HB H 1 3.684 0.020 . 1 . . . C 83 THR HB . 19783 1 914 . 1 1 83 83 THR HG21 H 1 1.204 0.020 . 1 . . . C 83 THR HG21 . 19783 1 915 . 1 1 83 83 THR HG22 H 1 1.204 0.020 . 1 . . . C 83 THR HG22 . 19783 1 916 . 1 1 83 83 THR HG23 H 1 1.204 0.020 . 1 . . . C 83 THR HG23 . 19783 1 917 . 1 1 83 83 THR C C 13 170.908 0.3 . 1 . . . C 83 THR C . 19783 1 918 . 1 1 83 83 THR CA C 13 63.674 0.3 . 1 . . . C 83 THR CA . 19783 1 919 . 1 1 83 83 THR CB C 13 70.037 0.3 . 1 . . . C 83 THR CB . 19783 1 920 . 1 1 83 83 THR CG2 C 13 21.892 0.3 . 1 . . . C 83 THR CG2 . 19783 1 921 . 1 1 83 83 THR N N 15 116.253 0.3 . 1 . . . C 83 THR N . 19783 1 922 . 1 1 84 84 GLU H H 1 8.006 0.020 . 1 . . . C 84 GLU H . 19783 1 923 . 1 1 84 84 GLU HA H 1 4.677 0.020 . 1 . . . C 84 GLU HA . 19783 1 924 . 1 1 84 84 GLU HB2 H 1 2.010 0.020 . 2 . . . C 84 GLU HB2 . 19783 1 925 . 1 1 84 84 GLU HB3 H 1 1.678 0.020 . 2 . . . C 84 GLU HB3 . 19783 1 926 . 1 1 84 84 GLU HG2 H 1 2.008 0.020 . 2 . . . C 84 GLU HG2 . 19783 1 927 . 1 1 84 84 GLU HG3 H 1 1.928 0.020 . 1 . . . C 84 GLU HG3 . 19783 1 928 . 1 1 84 84 GLU C C 13 174.462 0.3 . 1 . . . C 84 GLU C . 19783 1 929 . 1 1 84 84 GLU CA C 13 55.508 0.3 . 1 . . . C 84 GLU CA . 19783 1 930 . 1 1 84 84 GLU CB C 13 32.044 0.3 . 1 . . . C 84 GLU CB . 19783 1 931 . 1 1 84 84 GLU CG C 13 37.564 0.3 . 1 . . . C 84 GLU CG . 19783 1 932 . 1 1 84 84 GLU N N 15 124.967 0.3 . 1 . . . C 84 GLU N . 19783 1 933 . 1 1 85 85 TYR H H 1 8.993 0.020 . 1 . . . C 85 TYR H . 19783 1 934 . 1 1 85 85 TYR HA H 1 4.949 0.020 . 1 . . . C 85 TYR HA . 19783 1 935 . 1 1 85 85 TYR HB2 H 1 2.946 0.020 . 2 . . . C 85 TYR HB2 . 19783 1 936 . 1 1 85 85 TYR HB3 H 1 3.147 0.020 . 2 . . . C 85 TYR HB3 . 19783 1 937 . 1 1 85 85 TYR HD1 H 1 7.021 0.020 . 3 . . . C 85 TYR HD1 . 19783 1 938 . 1 1 85 85 TYR HD2 H 1 6.903 0.020 . 3 . . . C 85 TYR HD2 . 19783 1 939 . 1 1 85 85 TYR HE1 H 1 6.565 0.020 . 3 . . . C 85 TYR HE1 . 19783 1 940 . 1 1 85 85 TYR HE2 H 1 6.637 0.020 . 3 . . . C 85 TYR HE2 . 19783 1 941 . 1 1 85 85 TYR C C 13 174.563 0.3 . 1 . . . C 85 TYR C . 19783 1 942 . 1 1 85 85 TYR CA C 13 58.449 0.3 . 1 . . . C 85 TYR CA . 19783 1 943 . 1 1 85 85 TYR CB C 13 41.291 0.3 . 1 . . . C 85 TYR CB . 19783 1 944 . 1 1 85 85 TYR CD1 C 13 132.019 0.3 . 1 . . . C 85 TYR CD1 . 19783 1 945 . 1 1 85 85 TYR CE1 C 13 117.992 0.3 . 1 . . . C 85 TYR CE1 . 19783 1 946 . 1 1 85 85 TYR CE2 C 13 118.041 0.3 . 1 . . . C 85 TYR CE2 . 19783 1 947 . 1 1 85 85 TYR N N 15 127.327 0.3 . 1 . . . C 85 TYR N . 19783 1 948 . 1 1 86 86 VAL H H 1 8.873 0.020 . 1 . . . C 86 VAL H . 19783 1 949 . 1 1 86 86 VAL HA H 1 4.884 0.020 . 1 . . . C 86 VAL HA . 19783 1 950 . 1 1 86 86 VAL HB H 1 1.938 0.020 . 1 . . . C 86 VAL HB . 19783 1 951 . 1 1 86 86 VAL HG11 H 1 0.717 0.020 . 1 . . . C 86 VAL HG11 . 19783 1 952 . 1 1 86 86 VAL HG12 H 1 0.717 0.020 . 1 . . . C 86 VAL HG12 . 19783 1 953 . 1 1 86 86 VAL HG13 H 1 0.717 0.020 . 1 . . . C 86 VAL HG13 . 19783 1 954 . 1 1 86 86 VAL HG21 H 1 0.826 0.020 . 1 . . . C 86 VAL HG21 . 19783 1 955 . 1 1 86 86 VAL HG22 H 1 0.826 0.020 . 1 . . . C 86 VAL HG22 . 19783 1 956 . 1 1 86 86 VAL HG23 H 1 0.826 0.020 . 1 . . . C 86 VAL HG23 . 19783 1 957 . 1 1 86 86 VAL C C 13 173.822 0.3 . 1 . . . C 86 VAL C . 19783 1 958 . 1 1 86 86 VAL CA C 13 60.701 0.3 . 1 . . . C 86 VAL CA . 19783 1 959 . 1 1 86 86 VAL CB C 13 35.536 0.3 . 1 . . . C 86 VAL CB . 19783 1 960 . 1 1 86 86 VAL CG1 C 13 21.617 0.3 . 1 . . . C 86 VAL CG1 . 19783 1 961 . 1 1 86 86 VAL CG2 C 13 21.827 0.3 . 1 . . . C 86 VAL CG2 . 19783 1 962 . 1 1 86 86 VAL N N 15 121.985 0.3 . 1 . . . C 86 VAL N . 19783 1 963 . 1 1 87 87 CYS H H 1 8.312 0.020 . 1 . . . C 87 CYS H . 19783 1 964 . 1 1 87 87 CYS HA H 1 3.909 0.020 . 1 . . . C 87 CYS HA . 19783 1 965 . 1 1 87 87 CYS HB2 H 1 2.212 0.020 . 2 . . . C 87 CYS HB2 . 19783 1 966 . 1 1 87 87 CYS HB3 H 1 1.948 0.020 . 2 . . . C 87 CYS HB3 . 19783 1 967 . 1 1 87 87 CYS C C 13 171.211 0.3 . 1 . . . C 87 CYS C . 19783 1 968 . 1 1 87 87 CYS CA C 13 52.879 0.3 . 1 . . . C 87 CYS CA . 19783 1 969 . 1 1 87 87 CYS CB C 13 44.008 0.3 . 1 . . . C 87 CYS CB . 19783 1 970 . 1 1 87 87 CYS N N 15 127.376 0.3 . 1 . . . C 87 CYS N . 19783 1 971 . 1 1 88 88 LEU H H 1 8.837 0.020 . 1 . . . C 88 LEU H . 19783 1 972 . 1 1 88 88 LEU HA H 1 4.946 0.020 . 1 . . . C 88 LEU HA . 19783 1 973 . 1 1 88 88 LEU HB2 H 1 1.207 0.020 . 2 . . . C 88 LEU HB2 . 19783 1 974 . 1 1 88 88 LEU HB3 H 1 0.817 0.020 . 2 . . . C 88 LEU HB3 . 19783 1 975 . 1 1 88 88 LEU HG H 1 1.263 0.020 . 1 . . . C 88 LEU HG . 19783 1 976 . 1 1 88 88 LEU HD11 H 1 0.518 0.020 . 1 . . . C 88 LEU HD11 . 19783 1 977 . 1 1 88 88 LEU HD12 H 1 0.518 0.020 . 1 . . . C 88 LEU HD12 . 19783 1 978 . 1 1 88 88 LEU HD13 H 1 0.518 0.020 . 1 . . . C 88 LEU HD13 . 19783 1 979 . 1 1 88 88 LEU HD21 H 1 0.551 0.020 . 1 . . . C 88 LEU HD21 . 19783 1 980 . 1 1 88 88 LEU HD22 H 1 0.551 0.020 . 1 . . . C 88 LEU HD22 . 19783 1 981 . 1 1 88 88 LEU HD23 H 1 0.551 0.020 . 1 . . . C 88 LEU HD23 . 19783 1 982 . 1 1 88 88 LEU C C 13 173.957 0.3 . 1 . . . C 88 LEU C . 19783 1 983 . 1 1 88 88 LEU CA C 13 54.504 0.3 . 1 . . . C 88 LEU CA . 19783 1 984 . 1 1 88 88 LEU CB C 13 45.537 0.3 . 1 . . . C 88 LEU CB . 19783 1 985 . 1 1 88 88 LEU CG C 13 27.830 0.3 . 1 . . . C 88 LEU CG . 19783 1 986 . 1 1 88 88 LEU CD1 C 13 26.517 0.3 . 1 . . . C 88 LEU CD1 . 19783 1 987 . 1 1 88 88 LEU CD2 C 13 26.495 0.3 . 1 . . . C 88 LEU CD2 . 19783 1 988 . 1 1 88 88 LEU N N 15 127.118 0.3 . 1 . . . C 88 LEU N . 19783 1 989 . 1 1 89 89 VAL H H 1 8.687 0.020 . 1 . . . C 89 VAL H . 19783 1 990 . 1 1 89 89 VAL HA H 1 4.864 0.020 . 1 . . . C 89 VAL HA . 19783 1 991 . 1 1 89 89 VAL HB H 1 1.686 0.020 . 1 . . . C 89 VAL HB . 19783 1 992 . 1 1 89 89 VAL HG11 H 1 0.606 0.020 . 1 . . . C 89 VAL HG11 . 19783 1 993 . 1 1 89 89 VAL HG12 H 1 0.606 0.020 . 1 . . . C 89 VAL HG12 . 19783 1 994 . 1 1 89 89 VAL HG13 H 1 0.606 0.020 . 1 . . . C 89 VAL HG13 . 19783 1 995 . 1 1 89 89 VAL HG21 H 1 0.659 0.020 . 1 . . . C 89 VAL HG21 . 19783 1 996 . 1 1 89 89 VAL HG22 H 1 0.659 0.020 . 1 . . . C 89 VAL HG22 . 19783 1 997 . 1 1 89 89 VAL HG23 H 1 0.659 0.020 . 1 . . . C 89 VAL HG23 . 19783 1 998 . 1 1 89 89 VAL C C 13 174.580 0.3 . 1 . . . C 89 VAL C . 19783 1 999 . 1 1 89 89 VAL CA C 13 60.421 0.3 . 1 . . . C 89 VAL CA . 19783 1 1000 . 1 1 89 89 VAL CB C 13 34.505 0.3 . 1 . . . C 89 VAL CB . 19783 1 1001 . 1 1 89 89 VAL CG1 C 13 22.307 0.3 . 1 . . . C 89 VAL CG1 . 19783 1 1002 . 1 1 89 89 VAL CG2 C 13 22.196 0.3 . 1 . . . C 89 VAL CG2 . 19783 1 1003 . 1 1 89 89 VAL N N 15 120.421 0.3 . 1 . . . C 89 VAL N . 19783 1 1004 . 1 1 90 90 GLU H H 1 8.551 0.020 . 1 . . . C 90 GLU H . 19783 1 1005 . 1 1 90 90 GLU HA H 1 4.823 0.020 . 1 . . . C 90 GLU HA . 19783 1 1006 . 1 1 90 90 GLU HB2 H 1 1.890 0.020 . 2 . . . C 90 GLU HB2 . 19783 1 1007 . 1 1 90 90 GLU HB3 H 1 1.809 0.020 . 2 . . . C 90 GLU HB3 . 19783 1 1008 . 1 1 90 90 GLU HG2 H 1 2.125 0.020 . 2 . . . C 90 GLU HG2 . 19783 1 1009 . 1 1 90 90 GLU HG3 H 1 1.958 0.020 . 2 . . . C 90 GLU HG3 . 19783 1 1010 . 1 1 90 90 GLU C C 13 174.664 0.3 . 1 . . . C 90 GLU C . 19783 1 1011 . 1 1 90 90 GLU CA C 13 54.202 0.3 . 1 . . . C 90 GLU CA . 19783 1 1012 . 1 1 90 90 GLU CB C 13 34.685 0.3 . 1 . . . C 90 GLU CB . 19783 1 1013 . 1 1 90 90 GLU CG C 13 36.838 0.3 . 1 . . . C 90 GLU CG . 19783 1 1014 . 1 1 90 90 GLU N N 15 122.482 0.3 . 1 . . . C 90 GLU N . 19783 1 1015 . 1 1 91 91 ASP H H 1 7.980 0.020 . 1 . . . C 91 ASP H . 19783 1 1016 . 1 1 91 91 ASP HA H 1 4.744 0.020 . 1 . . . C 91 ASP HA . 19783 1 1017 . 1 1 91 91 ASP HB2 H 1 2.491 0.020 . 2 . . . C 91 ASP HB2 . 19783 1 1018 . 1 1 91 91 ASP HB3 H 1 2.130 0.020 . 2 . . . C 91 ASP HB3 . 19783 1 1019 . 1 1 91 91 ASP C C 13 176.921 0.3 . 1 . . . C 91 ASP C . 19783 1 1020 . 1 1 91 91 ASP CA C 13 54.603 0.3 . 1 . . . C 91 ASP CA . 19783 1 1021 . 1 1 91 91 ASP CB C 13 47.558 0.3 . 1 . . . C 91 ASP CB . 19783 1 1022 . 1 1 91 91 ASP N N 15 119.348 0.3 . 1 . . . C 91 ASP N . 19783 1 1023 . 1 1 92 92 SER H H 1 7.973 0.020 . 1 . . . C 92 SER H . 19783 1 1024 . 1 1 92 92 SER HA H 1 4.158 0.020 . 1 . . . C 92 SER HA . 19783 1 1025 . 1 1 92 92 SER HB2 H 1 3.914 0.020 . 2 . . . C 92 SER HB2 . 19783 1 1026 . 1 1 92 92 SER HB3 H 1 3.854 0.020 . 2 . . . C 92 SER HB3 . 19783 1 1027 . 1 1 92 92 SER C C 13 175.574 0.3 . 1 . . . C 92 SER C . 19783 1 1028 . 1 1 92 92 SER CA C 13 61.803 0.3 . 1 . . . C 92 SER CA . 19783 1 1029 . 1 1 92 92 SER CB C 13 62.911 0.3 . 1 . . . C 92 SER CB . 19783 1 1030 . 1 1 92 92 SER N N 15 121.504 0.3 . 1 . . . C 92 SER N . 19783 1 1031 . 1 1 93 93 GLU H H 1 9.782 0.020 . 1 . . . C 93 GLU H . 19783 1 1032 . 1 1 93 93 GLU HA H 1 4.289 0.020 . 1 . . . C 93 GLU HA . 19783 1 1033 . 1 1 93 93 GLU HB2 H 1 1.830 0.020 . 2 . . . C 93 GLU HB2 . 19783 1 1034 . 1 1 93 93 GLU HB3 H 1 2.178 0.020 . 2 . . . C 93 GLU HB3 . 19783 1 1035 . 1 1 93 93 GLU HG2 H 1 2.306 0.020 . 2 . . . C 93 GLU HG2 . 19783 1 1036 . 1 1 93 93 GLU HG3 H 1 2.126 0.020 . 2 . . . C 93 GLU HG3 . 19783 1 1037 . 1 1 93 93 GLU C C 13 176.517 0.3 . 1 . . . C 93 GLU C . 19783 1 1038 . 1 1 93 93 GLU CA C 13 56.610 0.3 . 1 . . . C 93 GLU CA . 19783 1 1039 . 1 1 93 93 GLU CB C 13 29.975 0.3 . 1 . . . C 93 GLU CB . 19783 1 1040 . 1 1 93 93 GLU CG C 13 37.286 0.3 . 1 . . . C 93 GLU CG . 19783 1 1041 . 1 1 93 93 GLU N N 15 121.008 0.3 . 1 . . . C 93 GLU N . 19783 1 1042 . 1 1 94 94 LEU H H 1 7.802 0.020 . 1 . . . C 94 LEU H . 19783 1 1043 . 1 1 94 94 LEU HA H 1 4.785 0.020 . 1 . . . C 94 LEU HA . 19783 1 1044 . 1 1 94 94 LEU HB2 H 1 1.801 0.020 . 2 . . . C 94 LEU HB2 . 19783 1 1045 . 1 1 94 94 LEU HB3 H 1 1.595 0.020 . 2 . . . C 94 LEU HB3 . 19783 1 1046 . 1 1 94 94 LEU HG H 1 1.529 0.020 . 1 . . . C 94 LEU HG . 19783 1 1047 . 1 1 94 94 LEU HD11 H 1 0.789 0.020 . 1 . . . C 94 LEU HD11 . 19783 1 1048 . 1 1 94 94 LEU HD12 H 1 0.789 0.020 . 1 . . . C 94 LEU HD12 . 19783 1 1049 . 1 1 94 94 LEU HD13 H 1 0.789 0.020 . 1 . . . C 94 LEU HD13 . 19783 1 1050 . 1 1 94 94 LEU HD21 H 1 0.881 0.020 . 1 . . . C 94 LEU HD21 . 19783 1 1051 . 1 1 94 94 LEU HD22 H 1 0.881 0.020 . 1 . . . C 94 LEU HD22 . 19783 1 1052 . 1 1 94 94 LEU HD23 H 1 0.881 0.020 . 1 . . . C 94 LEU HD23 . 19783 1 1053 . 1 1 94 94 LEU CA C 13 51.759 0.3 . 1 . . . C 94 LEU CA . 19783 1 1054 . 1 1 94 94 LEU CB C 13 42.854 0.3 . 1 . . . C 94 LEU CB . 19783 1 1055 . 1 1 94 94 LEU CG C 13 26.882 0.3 . 1 . . . C 94 LEU CG . 19783 1 1056 . 1 1 94 94 LEU CD1 C 13 25.330 0.3 . 1 . . . C 94 LEU CD1 . 19783 1 1057 . 1 1 94 94 LEU CD2 C 13 23.775 0.3 . 1 . . . C 94 LEU CD2 . 19783 1 1058 . 1 1 94 94 LEU N N 15 121.375 0.3 . 1 . . . C 94 LEU N . 19783 1 1059 . 1 1 95 95 PRO HA H 1 4.284 0.020 . 1 . . . C 95 PRO HA . 19783 1 1060 . 1 1 95 95 PRO HB2 H 1 2.312 0.020 . 2 . . . C 95 PRO HB2 . 19783 1 1061 . 1 1 95 95 PRO HB3 H 1 1.993 0.020 . 2 . . . C 95 PRO HB3 . 19783 1 1062 . 1 1 95 95 PRO HG2 H 1 1.986 0.020 . 2 . . . C 95 PRO HG2 . 19783 1 1063 . 1 1 95 95 PRO HG3 H 1 2.057 0.020 . 2 . . . C 95 PRO HG3 . 19783 1 1064 . 1 1 95 95 PRO HD2 H 1 3.878 0.020 . 2 . . . C 95 PRO HD2 . 19783 1 1065 . 1 1 95 95 PRO HD3 H 1 3.658 0.020 . 2 . . . C 95 PRO HD3 . 19783 1 1066 . 1 1 95 95 PRO CA C 13 64.807 0.3 . 1 . . . C 95 PRO CA . 19783 1 1067 . 1 1 95 95 PRO CB C 13 32.300 0.3 . 1 . . . C 95 PRO CB . 19783 1 1068 . 1 1 95 95 PRO CG C 13 27.793 0.3 . 1 . . . C 95 PRO CG . 19783 1 1069 . 1 1 95 95 PRO CD C 13 50.659 0.3 . 1 . . . C 95 PRO CD . 19783 1 1070 . 1 1 96 96 THR H H 1 7.094 0.020 . 1 . . . C 96 THR H . 19783 1 1071 . 1 1 96 96 THR HA H 1 4.499 0.020 . 1 . . . C 96 THR HA . 19783 1 1072 . 1 1 96 96 THR HB H 1 4.113 0.020 . 1 . . . C 96 THR HB . 19783 1 1073 . 1 1 96 96 THR HG21 H 1 1.171 0.020 . 1 . . . C 96 THR HG21 . 19783 1 1074 . 1 1 96 96 THR HG22 H 1 1.171 0.020 . 1 . . . C 96 THR HG22 . 19783 1 1075 . 1 1 96 96 THR HG23 H 1 1.171 0.020 . 1 . . . C 96 THR HG23 . 19783 1 1076 . 1 1 96 96 THR CA C 13 58.673 0.3 . 1 . . . C 96 THR CA . 19783 1 1077 . 1 1 96 96 THR CB C 13 70.994 0.3 . 1 . . . C 96 THR CB . 19783 1 1078 . 1 1 96 96 THR CG2 C 13 21.367 0.3 . 1 . . . C 96 THR CG2 . 19783 1 1079 . 1 1 96 96 THR N N 15 109.657 0.3 . 1 . . . C 96 THR N . 19783 1 1080 . 1 1 97 97 PRO HA H 1 4.746 0.020 . 1 . . . C 97 PRO HA . 19783 1 1081 . 1 1 97 97 PRO HB2 H 1 2.193 0.020 . 2 . . . C 97 PRO HB2 . 19783 1 1082 . 1 1 97 97 PRO HB3 H 1 1.527 0.020 . 2 . . . C 97 PRO HB3 . 19783 1 1083 . 1 1 97 97 PRO HG2 H 1 1.918 0.020 . 2 . . . C 97 PRO HG2 . 19783 1 1084 . 1 1 97 97 PRO HG3 H 1 1.899 0.020 . 2 . . . C 97 PRO HG3 . 19783 1 1085 . 1 1 97 97 PRO HD2 H 1 3.806 0.020 . 2 . . . C 97 PRO HD2 . 19783 1 1086 . 1 1 97 97 PRO HD3 H 1 3.602 0.020 . 2 . . . C 97 PRO HD3 . 19783 1 1087 . 1 1 97 97 PRO CA C 13 63.294 0.3 . 1 . . . C 97 PRO CA . 19783 1 1088 . 1 1 97 97 PRO CB C 13 32.969 0.3 . 1 . . . C 97 PRO CB . 19783 1 1089 . 1 1 97 97 PRO CG C 13 27.440 0.3 . 1 . . . C 97 PRO CG . 19783 1 1090 . 1 1 97 97 PRO CD C 13 51.317 0.3 . 1 . . . C 97 PRO CD . 19783 1 1091 . 1 1 98 98 VAL H H 1 8.358 0.020 . 1 . . . C 98 VAL H . 19783 1 1092 . 1 1 98 98 VAL HA H 1 4.208 0.020 . 1 . . . C 98 VAL HA . 19783 1 1093 . 1 1 98 98 VAL HB H 1 1.757 0.020 . 1 . . . C 98 VAL HB . 19783 1 1094 . 1 1 98 98 VAL HG11 H 1 0.865 0.020 . 1 . . . C 98 VAL HG11 . 19783 1 1095 . 1 1 98 98 VAL HG12 H 1 0.865 0.020 . 1 . . . C 98 VAL HG12 . 19783 1 1096 . 1 1 98 98 VAL HG13 H 1 0.865 0.020 . 1 . . . C 98 VAL HG13 . 19783 1 1097 . 1 1 98 98 VAL HG21 H 1 0.909 0.020 . 1 . . . C 98 VAL HG21 . 19783 1 1098 . 1 1 98 98 VAL HG22 H 1 0.909 0.020 . 1 . . . C 98 VAL HG22 . 19783 1 1099 . 1 1 98 98 VAL HG23 H 1 0.909 0.020 . 1 . . . C 98 VAL HG23 . 19783 1 1100 . 1 1 98 98 VAL C C 13 173.923 0.3 . 1 . . . C 98 VAL C . 19783 1 1101 . 1 1 98 98 VAL CA C 13 61.972 0.3 . 1 . . . C 98 VAL CA . 19783 1 1102 . 1 1 98 98 VAL CB C 13 33.468 0.3 . 1 . . . C 98 VAL CB . 19783 1 1103 . 1 1 98 98 VAL CG1 C 13 21.946 0.3 . 1 . . . C 98 VAL CG1 . 19783 1 1104 . 1 1 98 98 VAL CG2 C 13 21.744 0.3 . 1 . . . C 98 VAL CG2 . 19783 1 1105 . 1 1 98 98 VAL N N 15 122.997 0.3 . 1 . . . C 98 VAL N . 19783 1 1106 . 1 1 99 99 LYS H H 1 8.340 0.020 . 1 . . . C 99 LYS H . 19783 1 1107 . 1 1 99 99 LYS HA H 1 5.482 0.020 . 1 . . . C 99 LYS HA . 19783 1 1108 . 1 1 99 99 LYS HB2 H 1 1.537 0.020 . 2 . . . C 99 LYS HB2 . 19783 1 1109 . 1 1 99 99 LYS HB3 H 1 1.471 0.020 . 2 . . . C 99 LYS HB3 . 19783 1 1110 . 1 1 99 99 LYS HG2 H 1 1.167 0.020 . 2 . . . C 99 LYS HG2 . 19783 1 1111 . 1 1 99 99 LYS HG3 H 1 1.081 0.020 . 2 . . . C 99 LYS HG3 . 19783 1 1112 . 1 1 99 99 LYS HD2 H 1 1.423 0.020 . 1 . . . C 99 LYS HD2 . 19783 1 1113 . 1 1 99 99 LYS HD3 H 1 1.423 0.020 . 1 . . . C 99 LYS HD3 . 19783 1 1114 . 1 1 99 99 LYS HE2 H 1 2.774 0.020 . 1 . . . C 99 LYS HE2 . 19783 1 1115 . 1 1 99 99 LYS HE3 H 1 2.774 0.020 . 1 . . . C 99 LYS HE3 . 19783 1 1116 . 1 1 99 99 LYS C C 13 174.984 0.3 . 1 . . . C 99 LYS C . 19783 1 1117 . 1 1 99 99 LYS CA C 13 54.322 0.3 . 1 . . . C 99 LYS CA . 19783 1 1118 . 1 1 99 99 LYS CB C 13 37.320 0.3 . 1 . . . C 99 LYS CB . 19783 1 1119 . 1 1 99 99 LYS CG C 13 23.710 0.3 . 1 . . . C 99 LYS CG . 19783 1 1120 . 1 1 99 99 LYS CD C 13 29.916 0.3 . 1 . . . C 99 LYS CD . 19783 1 1121 . 1 1 99 99 LYS CE C 13 42.177 0.3 . 1 . . . C 99 LYS CE . 19783 1 1122 . 1 1 99 99 LYS N N 15 122.194 0.3 . 1 . . . C 99 LYS N . 19783 1 1123 . 1 1 100 100 ALA H H 1 8.600 0.020 . 1 . . . C 100 ALA H . 19783 1 1124 . 1 1 100 100 ALA HA H 1 4.638 0.020 . 1 . . . C 100 ALA HA . 19783 1 1125 . 1 1 100 100 ALA HB1 H 1 1.250 0.020 . 1 . . . C 100 ALA HB1 . 19783 1 1126 . 1 1 100 100 ALA HB2 H 1 1.250 0.020 . 1 . . . C 100 ALA HB2 . 19783 1 1127 . 1 1 100 100 ALA HB3 H 1 1.250 0.020 . 1 . . . C 100 ALA HB3 . 19783 1 1128 . 1 1 100 100 ALA C C 13 174.243 0.3 . 1 . . . C 100 ALA C . 19783 1 1129 . 1 1 100 100 ALA CA C 13 51.392 0.3 . 1 . . . C 100 ALA CA . 19783 1 1130 . 1 1 100 100 ALA CB C 13 23.012 0.3 . 1 . . . C 100 ALA CB . 19783 1 1131 . 1 1 100 100 ALA N N 15 123.875 0.3 . 1 . . . C 100 ALA N . 19783 1 1132 . 1 1 101 101 SER H H 1 8.367 0.020 . 1 . . . C 101 SER H . 19783 1 1133 . 1 1 101 101 SER HA H 1 5.761 0.020 . 1 . . . C 101 SER HA . 19783 1 1134 . 1 1 101 101 SER HB2 H 1 3.614 0.020 . 2 . . . C 101 SER HB2 . 19783 1 1135 . 1 1 101 101 SER HB3 H 1 3.710 0.020 . 2 . . . C 101 SER HB3 . 19783 1 1136 . 1 1 101 101 SER C C 13 173.519 0.3 . 1 . . . C 101 SER C . 19783 1 1137 . 1 1 101 101 SER CA C 13 56.346 0.3 . 1 . . . C 101 SER CA . 19783 1 1138 . 1 1 101 101 SER CB C 13 67.504 0.3 . 1 . . . C 101 SER CB . 19783 1 1139 . 1 1 101 101 SER N N 15 114.189 0.3 . 1 . . . C 101 SER N . 19783 1 1140 . 1 1 102 102 ILE H H 1 9.317 0.020 . 1 . . . C 102 ILE H . 19783 1 1141 . 1 1 102 102 ILE HA H 1 4.778 0.020 . 1 . . . C 102 ILE HA . 19783 1 1142 . 1 1 102 102 ILE HB H 1 1.901 0.020 . 1 . . . C 102 ILE HB . 19783 1 1143 . 1 1 102 102 ILE HG12 H 1 1.978 0.020 . 2 . . . C 102 ILE HG12 . 19783 1 1144 . 1 1 102 102 ILE HG13 H 1 1.491 0.020 . 2 . . . C 102 ILE HG13 . 19783 1 1145 . 1 1 102 102 ILE HG21 H 1 1.196 0.020 . 1 . . . C 102 ILE HG21 . 19783 1 1146 . 1 1 102 102 ILE HG22 H 1 1.196 0.020 . 1 . . . C 102 ILE HG22 . 19783 1 1147 . 1 1 102 102 ILE HG23 H 1 1.196 0.020 . 1 . . . C 102 ILE HG23 . 19783 1 1148 . 1 1 102 102 ILE HD11 H 1 0.976 0.020 . 1 . . . C 102 ILE HD11 . 19783 1 1149 . 1 1 102 102 ILE HD12 H 1 0.976 0.020 . 1 . . . C 102 ILE HD12 . 19783 1 1150 . 1 1 102 102 ILE HD13 H 1 0.976 0.020 . 1 . . . C 102 ILE HD13 . 19783 1 1151 . 1 1 102 102 ILE C C 13 170.824 0.3 . 1 . . . C 102 ILE C . 19783 1 1152 . 1 1 102 102 ILE CA C 13 61.198 0.3 . 1 . . . C 102 ILE CA . 19783 1 1153 . 1 1 102 102 ILE CB C 13 41.820 0.3 . 1 . . . C 102 ILE CB . 19783 1 1154 . 1 1 102 102 ILE CG1 C 13 29.816 0.3 . 1 . . . C 102 ILE CG1 . 19783 1 1155 . 1 1 102 102 ILE CG2 C 13 17.698 0.3 . 1 . . . C 102 ILE CG2 . 19783 1 1156 . 1 1 102 102 ILE CD1 C 13 14.748 0.3 . 1 . . . C 102 ILE CD1 . 19783 1 1157 . 1 1 102 102 ILE N N 15 121.742 0.3 . 1 . . . C 102 ILE N . 19783 1 1158 . 1 1 103 103 ARG H H 1 7.525 0.020 . 1 . . . C 103 ARG H . 19783 1 1159 . 1 1 103 103 ARG HA H 1 4.581 0.020 . 1 . . . C 103 ARG HA . 19783 1 1160 . 1 1 103 103 ARG HB2 H 1 1.661 0.020 . 2 . . . C 103 ARG HB2 . 19783 1 1161 . 1 1 103 103 ARG HB3 H 1 1.502 0.020 . 2 . . . C 103 ARG HB3 . 19783 1 1162 . 1 1 103 103 ARG HG2 H 1 1.458 0.020 . 2 . . . C 103 ARG HG2 . 19783 1 1163 . 1 1 103 103 ARG HG3 H 1 1.232 0.020 . 2 . . . C 103 ARG HG3 . 19783 1 1164 . 1 1 103 103 ARG HD2 H 1 3.075 0.020 . 2 . . . C 103 ARG HD2 . 19783 1 1165 . 1 1 103 103 ARG HD3 H 1 2.991 0.020 . 2 . . . C 103 ARG HD3 . 19783 1 1166 . 1 1 103 103 ARG C C 13 174.411 0.3 . 1 . . . C 103 ARG C . 19783 1 1167 . 1 1 103 103 ARG CA C 13 54.474 0.3 . 1 . . . C 103 ARG CA . 19783 1 1168 . 1 1 103 103 ARG CB C 13 34.589 0.3 . 1 . . . C 103 ARG CB . 19783 1 1169 . 1 1 103 103 ARG CG C 13 24.900 0.3 . 1 . . . C 103 ARG CG . 19783 1 1170 . 1 1 103 103 ARG CD C 13 44.169 0.3 . 1 . . . C 103 ARG CD . 19783 1 1171 . 1 1 103 103 ARG N N 15 120.111 0.3 . 1 . . . C 103 ARG N . 19783 1 1172 . 1 1 104 104 LYS H H 1 9.077 0.020 . 1 . . . C 104 LYS H . 19783 1 1173 . 1 1 104 104 LYS HA H 1 3.614 0.020 . 1 . . . C 104 LYS HA . 19783 1 1174 . 1 1 104 104 LYS HB2 H 1 0.959 0.020 . 2 . . . C 104 LYS HB2 . 19783 1 1175 . 1 1 104 104 LYS HB3 H 1 0.201 0.020 . 2 . . . C 104 LYS HB3 . 19783 1 1176 . 1 1 104 104 LYS HG2 H 1 1.255 0.020 . 1 . . . C 104 LYS HG2 . 19783 1 1177 . 1 1 104 104 LYS HG3 H 1 1.255 0.020 . 1 . . . C 104 LYS HG3 . 19783 1 1178 . 1 1 104 104 LYS HD2 H 1 1.527 0.020 . 2 . . . C 104 LYS HD2 . 19783 1 1179 . 1 1 104 104 LYS HD3 H 1 1.377 0.020 . 2 . . . C 104 LYS HD3 . 19783 1 1180 . 1 1 104 104 LYS HE2 H 1 2.915 0.020 . 1 . . . C 104 LYS HE2 . 19783 1 1181 . 1 1 104 104 LYS HE3 H 1 2.915 0.020 . 1 . . . C 104 LYS HE3 . 19783 1 1182 . 1 1 104 104 LYS C C 13 175.287 0.3 . 1 . . . C 104 LYS C . 19783 1 1183 . 1 1 104 104 LYS CA C 13 58.288 0.3 . 1 . . . C 104 LYS CA . 19783 1 1184 . 1 1 104 104 LYS CB C 13 32.169 0.3 . 1 . . . C 104 LYS CB . 19783 1 1185 . 1 1 104 104 LYS CG C 13 25.344 0.3 . 1 . . . C 104 LYS CG . 19783 1 1186 . 1 1 104 104 LYS CD C 13 30.558 0.3 . 1 . . . C 104 LYS CD . 19783 1 1187 . 1 1 104 104 LYS CE C 13 42.656 0.3 . 1 . . . C 104 LYS CE . 19783 1 1188 . 1 1 104 104 LYS N N 15 126.177 0.3 . 1 . . . C 104 LYS N . 19783 1 1189 . 1 1 105 105 ALA H H 1 7.874 0.020 . 1 . . . C 105 ALA H . 19783 1 1190 . 1 1 105 105 ALA HB1 H 1 1.333 0.020 . 1 . . . C 105 ALA HB1 . 19783 1 1191 . 1 1 105 105 ALA HB2 H 1 1.333 0.020 . 1 . . . C 105 ALA HB2 . 19783 1 1192 . 1 1 105 105 ALA HB3 H 1 1.333 0.020 . 1 . . . C 105 ALA HB3 . 19783 1 1193 . 1 1 105 105 ALA CA C 13 53.892 0.3 . 1 . . . C 105 ALA CA . 19783 1 1194 . 1 1 105 105 ALA CB C 13 20.683 0.3 . 1 . . . C 105 ALA CB . 19783 1 1195 . 1 1 105 105 ALA N N 15 133.927 0.3 . 1 . . . C 105 ALA N . 19783 1 stop_ save_