data_19014 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19014 _Entry.Title ; Solution structure of the putative Ras interaction domain of AFD-1, isoform a from Caenorhabditis elegans ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-02-07 _Entry.Accession_date 2013-02-07 _Entry.Last_release_date 2013-03-04 _Entry.Original_release_date 2013-03-04 _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 NMR' _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 R. Harris . . . 19014 2 B. Hillerich . . . 19014 3 M. Ahmed . . . 19014 4 J. Bonanno . B. . 19014 5 S. Chamala . . . 19014 6 B. Evans . . . 19014 7 J. Lafleur . . . 19014 8 J. Hammonds . . . 19014 9 E. Washington . . . 19014 10 M. Stead . . . 19014 11 J. Love . . . 19014 12 J. Attonito . . . 19014 13 R. Seidel . D. . 19014 14 R. Liddington . C. . 19014 15 W. Weis . I. . 19014 16 W. Nelson . J. . 19014 17 M. Girvin . E. . 19014 18 S. Almo . C. . 19014 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 'PSI, Protein Structure Initiative' 'New York Structural Genomics Research Consortium' . 19014 2 PSI:Biology 'Assembly, Dynamics and Evolution of Cell-Cell and Cell-Matrix Adhesions' . 19014 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'New York Structural Genomics Research Consortium' . 19014 'STRUCTURAL GENOMICS' . 19014 THIOREDOXIN-LIKE . 19014 'UNKNOWN FUNCTION' . 19014 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19014 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 478 19014 '15N chemical shifts' 108 19014 '1H chemical shifts' 751 19014 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 . . 2013-03-04 2013-02-07 original author . 19014 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2M4N 'BMRB Entry Tracking System' 19014 TargetDB NYSGRC-010744 . 19014 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 19014 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the putative Ras interaction domain of AFD-1, isoform a from Caenorhabditis elegans' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 R. Harris . . . 19014 1 2 B. Hillerich . . . 19014 1 3 M. Ahmed . . . 19014 1 4 J. Bonanno . B. . 19014 1 5 S. Chamala . . . 19014 1 6 B. Evans . . . 19014 1 7 J. Lafleur . . . 19014 1 8 J. Hammonds . . . 19014 1 9 E. Washington . . . 19014 1 10 M. Stead . . . 19014 1 11 J. Love . . . 19014 1 12 J. Attonito . . . 19014 1 13 R. Seidel . D. . 19014 1 14 Y. Chook . M. . 19014 1 15 M. Rout . P. . 19014 1 16 R. Liddington . C. . 19014 1 17 W. Weis . I. . 19014 1 18 W. Nelson . J. . 19014 1 19 M. Girvin . E. . 19014 1 20 S. Almo . C. . 19014 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19014 _Assembly.ID 1 _Assembly.Name 'putative Ras interaction domain of AFD-1, isoform a from Caenorhabditis elegans' _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 'putative Ras interaction domain of AFD-1, isoform a from Caenorhabditis elegans' 1 $putative_Ras_interaction_domain_of_AFD-1_isoform_a A . yes native no no . . . 19014 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_putative_Ras_interaction_domain_of_AFD-1_isoform_a _Entity.Sf_category entity _Entity.Sf_framecode putative_Ras_interaction_domain_of_AFD-1_isoform_a _Entity.Entry_ID 19014 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name putative_Ras_interaction_domain_of_AFD-1_isoform_a _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 ; SMFGGSLKVYGGEIVPTRPY VSILAEINENADRILGAALE KYGLEHSKDDFILVEVSNDD DRKSMSDLREIDGRPIPPTE CPLFEMTARSGNGENGFDSF LAIKRKPH ; _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 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11972.540 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q9BIC1 . . . . . . . . . . . . . . . . 19014 1 2 no PDB 2M4N . "Solution Structure Of The Putative Ras Interaction Domain Of Afd-1, Isoform A From Caenorhabditis Elegans" . . . . . 100.00 108 100.00 100.00 1.57e-71 . . . . 19014 1 3 no EMBL CCD69313 . "AFaDin (actin filament binding protein) homolog [Caenorhabditis elegans]" . . . . . 99.07 1658 100.00 100.00 6.80e-64 . . . . 19014 1 4 no EMBL CCD69315 . "AFaDin (actin filament binding protein) homolog [Caenorhabditis elegans]" . . . . . 99.07 1660 100.00 100.00 6.81e-64 . . . . 19014 1 5 no EMBL CCD69316 . "AFaDin (actin filament binding protein) homolog [Caenorhabditis elegans]" . . . . . 99.07 1562 100.00 100.00 3.96e-64 . . . . 19014 1 6 no EMBL CDO41086 . "AFaDin (actin filament binding protein) homolog [Caenorhabditis elegans]" . . . . . 99.07 1564 100.00 100.00 3.20e-64 . . . . 19014 1 7 no GB AAD20441 . "AF-6 [Caenorhabditis elegans]" . . . . . 99.07 1666 100.00 100.00 6.10e-64 . . . . 19014 1 8 no REF NP_001021660 . "AFaDin (actin filament binding protein) homolog [Caenorhabditis elegans]" . . . . . 99.07 1660 100.00 100.00 6.81e-64 . . . . 19014 1 9 no REF NP_001021661 . "AFaDin (actin filament binding protein) homolog [Caenorhabditis elegans]" . . . . . 99.07 1562 100.00 100.00 3.96e-64 . . . . 19014 1 10 no REF NP_001293329 . "AFaDin (actin filament binding protein) homolog [Caenorhabditis elegans]" . . . . . 99.07 1564 100.00 100.00 3.20e-64 . . . . 19014 1 11 no REF NP_490938 . "AFaDin (actin filament binding protein) homolog [Caenorhabditis elegans]" . . . . . 99.07 1658 100.00 100.00 6.80e-64 . . . . 19014 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SER . 19014 1 2 . MET . 19014 1 3 . PHE . 19014 1 4 . GLY . 19014 1 5 . GLY . 19014 1 6 . SER . 19014 1 7 . LEU . 19014 1 8 . LYS . 19014 1 9 . VAL . 19014 1 10 . TYR . 19014 1 11 . GLY . 19014 1 12 . GLY . 19014 1 13 . GLU . 19014 1 14 . ILE . 19014 1 15 . VAL . 19014 1 16 . PRO . 19014 1 17 . THR . 19014 1 18 . ARG . 19014 1 19 . PRO . 19014 1 20 . TYR . 19014 1 21 . VAL . 19014 1 22 . SER . 19014 1 23 . ILE . 19014 1 24 . LEU . 19014 1 25 . ALA . 19014 1 26 . GLU . 19014 1 27 . ILE . 19014 1 28 . ASN . 19014 1 29 . GLU . 19014 1 30 . ASN . 19014 1 31 . ALA . 19014 1 32 . ASP . 19014 1 33 . ARG . 19014 1 34 . ILE . 19014 1 35 . LEU . 19014 1 36 . GLY . 19014 1 37 . ALA . 19014 1 38 . ALA . 19014 1 39 . LEU . 19014 1 40 . GLU . 19014 1 41 . LYS . 19014 1 42 . TYR . 19014 1 43 . GLY . 19014 1 44 . LEU . 19014 1 45 . GLU . 19014 1 46 . HIS . 19014 1 47 . SER . 19014 1 48 . LYS . 19014 1 49 . ASP . 19014 1 50 . ASP . 19014 1 51 . PHE . 19014 1 52 . ILE . 19014 1 53 . LEU . 19014 1 54 . VAL . 19014 1 55 . GLU . 19014 1 56 . VAL . 19014 1 57 . SER . 19014 1 58 . ASN . 19014 1 59 . ASP . 19014 1 60 . ASP . 19014 1 61 . ASP . 19014 1 62 . ARG . 19014 1 63 . LYS . 19014 1 64 . SER . 19014 1 65 . MET . 19014 1 66 . SER . 19014 1 67 . ASP . 19014 1 68 . LEU . 19014 1 69 . ARG . 19014 1 70 . GLU . 19014 1 71 . ILE . 19014 1 72 . ASP . 19014 1 73 . GLY . 19014 1 74 . ARG . 19014 1 75 . PRO . 19014 1 76 . ILE . 19014 1 77 . PRO . 19014 1 78 . PRO . 19014 1 79 . THR . 19014 1 80 . GLU . 19014 1 81 . CYS . 19014 1 82 . PRO . 19014 1 83 . LEU . 19014 1 84 . PHE . 19014 1 85 . GLU . 19014 1 86 . MET . 19014 1 87 . THR . 19014 1 88 . ALA . 19014 1 89 . ARG . 19014 1 90 . SER . 19014 1 91 . GLY . 19014 1 92 . ASN . 19014 1 93 . GLY . 19014 1 94 . GLU . 19014 1 95 . ASN . 19014 1 96 . GLY . 19014 1 97 . PHE . 19014 1 98 . ASP . 19014 1 99 . SER . 19014 1 100 . PHE . 19014 1 101 . LEU . 19014 1 102 . ALA . 19014 1 103 . ILE . 19014 1 104 . LYS . 19014 1 105 . ARG . 19014 1 106 . LYS . 19014 1 107 . PRO . 19014 1 108 . HIS . 19014 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 19014 1 . MET 2 2 19014 1 . PHE 3 3 19014 1 . GLY 4 4 19014 1 . GLY 5 5 19014 1 . SER 6 6 19014 1 . LEU 7 7 19014 1 . LYS 8 8 19014 1 . VAL 9 9 19014 1 . TYR 10 10 19014 1 . GLY 11 11 19014 1 . GLY 12 12 19014 1 . GLU 13 13 19014 1 . ILE 14 14 19014 1 . VAL 15 15 19014 1 . PRO 16 16 19014 1 . THR 17 17 19014 1 . ARG 18 18 19014 1 . PRO 19 19 19014 1 . TYR 20 20 19014 1 . VAL 21 21 19014 1 . SER 22 22 19014 1 . ILE 23 23 19014 1 . LEU 24 24 19014 1 . ALA 25 25 19014 1 . GLU 26 26 19014 1 . ILE 27 27 19014 1 . ASN 28 28 19014 1 . GLU 29 29 19014 1 . ASN 30 30 19014 1 . ALA 31 31 19014 1 . ASP 32 32 19014 1 . ARG 33 33 19014 1 . ILE 34 34 19014 1 . LEU 35 35 19014 1 . GLY 36 36 19014 1 . ALA 37 37 19014 1 . ALA 38 38 19014 1 . LEU 39 39 19014 1 . GLU 40 40 19014 1 . LYS 41 41 19014 1 . TYR 42 42 19014 1 . GLY 43 43 19014 1 . LEU 44 44 19014 1 . GLU 45 45 19014 1 . HIS 46 46 19014 1 . SER 47 47 19014 1 . LYS 48 48 19014 1 . ASP 49 49 19014 1 . ASP 50 50 19014 1 . PHE 51 51 19014 1 . ILE 52 52 19014 1 . LEU 53 53 19014 1 . VAL 54 54 19014 1 . GLU 55 55 19014 1 . VAL 56 56 19014 1 . SER 57 57 19014 1 . ASN 58 58 19014 1 . ASP 59 59 19014 1 . ASP 60 60 19014 1 . ASP 61 61 19014 1 . ARG 62 62 19014 1 . LYS 63 63 19014 1 . SER 64 64 19014 1 . MET 65 65 19014 1 . SER 66 66 19014 1 . ASP 67 67 19014 1 . LEU 68 68 19014 1 . ARG 69 69 19014 1 . GLU 70 70 19014 1 . ILE 71 71 19014 1 . ASP 72 72 19014 1 . GLY 73 73 19014 1 . ARG 74 74 19014 1 . PRO 75 75 19014 1 . ILE 76 76 19014 1 . PRO 77 77 19014 1 . PRO 78 78 19014 1 . THR 79 79 19014 1 . GLU 80 80 19014 1 . CYS 81 81 19014 1 . PRO 82 82 19014 1 . LEU 83 83 19014 1 . PHE 84 84 19014 1 . GLU 85 85 19014 1 . MET 86 86 19014 1 . THR 87 87 19014 1 . ALA 88 88 19014 1 . ARG 89 89 19014 1 . SER 90 90 19014 1 . GLY 91 91 19014 1 . ASN 92 92 19014 1 . GLY 93 93 19014 1 . GLU 94 94 19014 1 . ASN 95 95 19014 1 . GLY 96 96 19014 1 . PHE 97 97 19014 1 . ASP 98 98 19014 1 . SER 99 99 19014 1 . PHE 100 100 19014 1 . LEU 101 101 19014 1 . ALA 102 102 19014 1 . ILE 103 103 19014 1 . LYS 104 104 19014 1 . ARG 105 105 19014 1 . LYS 106 106 19014 1 . PRO 107 107 19014 1 . HIS 108 108 19014 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 19014 _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 $putative_Ras_interaction_domain_of_AFD-1_isoform_a . 6239 organism . 'C. elegans' 'Caenorhabditis elegans' . . Eukaryota Metazoa Caenorhabditis elegans . . . . . . . . . . . . . . . . W03F11.6 . . . . 19014 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 19014 _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 $putative_Ras_interaction_domain_of_AFD-1_isoform_a . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . pET . . 'modified pET28a' . . . . . . 19014 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19014 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM Na Phosphate buffer, 50mM NaCl, pH 6.8, 1mM DTT, 0.1mM EDTA' _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 'putative Ras interaction domain of AFD-1, isoform a' '[U-100% 13C; U-100% 15N]' . . 1 $putative_Ras_interaction_domain_of_AFD-1_isoform_a . . 1.0 . . mM . . . . 19014 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19014 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19014 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 19014 1 5 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 19014 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19014 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM Na Phosphate buffer, 50mM NaCl, pH 6.8, 1mM DTT, 0.1mM EDTA' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'putative Ras interaction domain of AFD-1, isoform a' '[U-100% 13C; U-100% 15N]' . . 1 $putative_Ras_interaction_domain_of_AFD-1_isoform_a . . 1.0 . . mM . . . . 19014 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19014 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19014 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 19014 2 5 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 19014 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19014 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 70 . mM 19014 1 pH 6.8 . pH 19014 1 pressure 1 . atm 19014 1 temperature 298 . K 19014 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19014 _Software.ID 1 _Software.Name CNS _Software.Version 1.21 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 19014 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19014 1 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 19014 _Software.ID 2 _Software.Name VNMRJ _Software.Version 2.2D _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 19014 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19014 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19014 _Software.ID 3 _Software.Name TOPSPIN _Software.Version '1.3 & 2.1' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19014 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19014 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19014 _Software.ID 4 _Software.Name NMRPipe _Software.Version 7.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19014 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19014 4 stop_ save_ save_MDDNMR _Software.Sf_category software _Software.Sf_framecode MDDNMR _Software.Entry_ID 19014 _Software.ID 5 _Software.Name MDDNMR _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(MDDNMR) Orekhov, Jaravine, Kazimierczuk' . . 19014 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19014 5 processing 19014 5 stop_ save_ save_MDDGUI _Software.Sf_category software _Software.Sf_framecode MDDGUI _Software.Entry_ID 19014 _Software.ID 6 _Software.Name MDDGUI _Software.Version 1.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(MDDGUI) Lemak, Gutmanas, Chitayat, Karra, Fares, Sunnerhagen, Arrowsmith' . . 19014 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19014 6 processing 19014 6 stop_ save_ save_CCPN_Analysis _Software.Sf_category software _Software.Sf_framecode CCPN_Analysis _Software.Entry_ID 19014 _Software.ID 7 _Software.Name CCPN_Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 19014 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19014 7 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 19014 _Software.ID 8 _Software.Name ARIA _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 19014 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19014 8 stop_ save_ save_SIDER _Software.Sf_category software _Software.Sf_framecode SIDER _Software.Entry_ID 19014 _Software.ID 9 _Software.Name SIDER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Hansen . . 19014 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19014 9 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 19014 _Software.ID 10 _Software.Name 'X-PLOR NIH' _Software.Version 2.32 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 19014 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19014 10 'structure solution' 19014 10 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 19014 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _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 19014 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19014 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 19014 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian Inova . 600 . . . 19014 1 2 spectrometer_2 Bruker Avance . 600 . . . 19014 1 3 spectrometer_3 Bruker Avance . 700 . . . 19014 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 19014 _Experiment_list.ID 1 _Experiment_list.Details 'All 3D experiments were acquired using 30% non-uniform sampling using the MDDNMR approach' 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 '15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19014 1 2 '15N NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19014 1 3 '13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19014 1 4 'aromatic 13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19014 1 5 '13C NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19014 1 6 '13C aromatic NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19014 1 7 HNCO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19014 1 8 HNCACO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19014 1 9 HNCA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19014 1 10 HNCOCA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19014 1 11 HNCACB no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19014 1 12 CBCACONH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19014 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 19014 _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 . . . . . . . . . 19014 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19014 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19014 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 19014 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '15N HSQC' . . . 19014 1 3 '13C HSQC' . . . 19014 1 4 'aromatic 13C HSQC' . . . 19014 1 7 HNCO . . . 19014 1 8 HNCACO . . . 19014 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER HA H 1 3.993 0.005 . 1 . . . . 1 SER HA . 19014 1 2 . 1 1 1 1 SER HB2 H 1 3.877 0.003 . 1 . . . . 1 SER HB2 . 19014 1 3 . 1 1 1 1 SER HB3 H 1 3.877 0.003 . 1 . . . . 1 SER HB3 . 19014 1 4 . 1 1 1 1 SER CA C 13 57.599 0.002 . 1 . . . . 1 SER CA . 19014 1 5 . 1 1 1 1 SER CB C 13 64.063 0.000 . 1 . . . . 1 SER CB . 19014 1 6 . 1 1 2 2 MET HA H 1 4.532 0.004 . 1 . . . . 2 MET HA . 19014 1 7 . 1 1 2 2 MET HB2 H 1 2.016 0.002 . 2 . . . . 2 MET HB2 . 19014 1 8 . 1 1 2 2 MET HB3 H 1 1.936 0.002 . 2 . . . . 2 MET HB3 . 19014 1 9 . 1 1 2 2 MET HG2 H 1 2.488 0.003 . 1 . . . . 2 MET HG2 . 19014 1 10 . 1 1 2 2 MET HG3 H 1 2.488 0.003 . 1 . . . . 2 MET HG3 . 19014 1 11 . 1 1 2 2 MET HE1 H 1 2.038 0.000 . 1 . . . . 2 MET HE1 . 19014 1 12 . 1 1 2 2 MET HE2 H 1 2.038 0.000 . 1 . . . . 2 MET HE2 . 19014 1 13 . 1 1 2 2 MET HE3 H 1 2.038 0.000 . 1 . . . . 2 MET HE3 . 19014 1 14 . 1 1 2 2 MET C C 13 175.702 0.008 . 1 . . . . 2 MET C . 19014 1 15 . 1 1 2 2 MET CA C 13 55.418 0.014 . 1 . . . . 2 MET CA . 19014 1 16 . 1 1 2 2 MET CB C 13 33.098 0.017 . 1 . . . . 2 MET CB . 19014 1 17 . 1 1 2 2 MET CG C 13 31.847 0.018 . 1 . . . . 2 MET CG . 19014 1 18 . 1 1 2 2 MET CE C 13 16.949 0.000 . 1 . . . . 2 MET CE . 19014 1 19 . 1 1 3 3 PHE H H 1 8.590 0.002 . 1 . . . . 3 PHE H . 19014 1 20 . 1 1 3 3 PHE HA H 1 4.658 0.001 . 1 . . . . 3 PHE HA . 19014 1 21 . 1 1 3 3 PHE HB2 H 1 3.047 0.001 . 2 . . . . 3 PHE HB2 . 19014 1 22 . 1 1 3 3 PHE HB3 H 1 3.165 0.004 . 2 . . . . 3 PHE HB3 . 19014 1 23 . 1 1 3 3 PHE HD1 H 1 7.333 0.007 . 3 . . . . 3 PHE HD1 . 19014 1 24 . 1 1 3 3 PHE HD2 H 1 7.333 0.007 . 3 . . . . 3 PHE HD2 . 19014 1 25 . 1 1 3 3 PHE HE1 H 1 7.333 0.005 . 3 . . . . 3 PHE HE1 . 19014 1 26 . 1 1 3 3 PHE HE2 H 1 7.333 0.005 . 3 . . . . 3 PHE HE2 . 19014 1 27 . 1 1 3 3 PHE HZ H 1 7.143 0.003 . 1 . . . . 3 PHE HZ . 19014 1 28 . 1 1 3 3 PHE C C 13 176.080 0.002 . 1 . . . . 3 PHE C . 19014 1 29 . 1 1 3 3 PHE CA C 13 58.112 0.012 . 1 . . . . 3 PHE CA . 19014 1 30 . 1 1 3 3 PHE CB C 13 39.707 0.014 . 1 . . . . 3 PHE CB . 19014 1 31 . 1 1 3 3 PHE CD1 C 13 131.824 0.058 . 3 . . . . 3 PHE CD1 . 19014 1 32 . 1 1 3 3 PHE CD2 C 13 131.824 0.058 . 3 . . . . 3 PHE CD2 . 19014 1 33 . 1 1 3 3 PHE CE1 C 13 131.885 0.095 . 3 . . . . 3 PHE CE1 . 19014 1 34 . 1 1 3 3 PHE CE2 C 13 131.885 0.095 . 3 . . . . 3 PHE CE2 . 19014 1 35 . 1 1 3 3 PHE CZ C 13 130.206 0.079 . 1 . . . . 3 PHE CZ . 19014 1 36 . 1 1 3 3 PHE N N 15 122.271 0.020 . 1 . . . . 3 PHE N . 19014 1 37 . 1 1 4 4 GLY H H 1 8.377 0.003 . 1 . . . . 4 GLY H . 19014 1 38 . 1 1 4 4 GLY HA2 H 1 3.687 0.001 . 2 . . . . 4 GLY HA2 . 19014 1 39 . 1 1 4 4 GLY HA3 H 1 4.025 0.002 . 2 . . . . 4 GLY HA3 . 19014 1 40 . 1 1 4 4 GLY C C 13 174.520 0.011 . 1 . . . . 4 GLY C . 19014 1 41 . 1 1 4 4 GLY CA C 13 45.438 0.017 . 1 . . . . 4 GLY CA . 19014 1 42 . 1 1 4 4 GLY N N 15 113.838 0.023 . 1 . . . . 4 GLY N . 19014 1 43 . 1 1 5 5 GLY H H 1 6.264 0.019 . 1 . . . . 5 GLY H . 19014 1 44 . 1 1 5 5 GLY HA2 H 1 3.788 0.011 . 2 . . . . 5 GLY HA2 . 19014 1 45 . 1 1 5 5 GLY HA3 H 1 4.079 0.003 . 2 . . . . 5 GLY HA3 . 19014 1 46 . 1 1 5 5 GLY C C 13 172.952 0.002 . 1 . . . . 5 GLY C . 19014 1 47 . 1 1 5 5 GLY CA C 13 45.184 0.034 . 1 . . . . 5 GLY CA . 19014 1 48 . 1 1 5 5 GLY N N 15 106.025 0.027 . 1 . . . . 5 GLY N . 19014 1 49 . 1 1 6 6 SER H H 1 7.544 0.005 . 1 . . . . 6 SER H . 19014 1 50 . 1 1 6 6 SER HA H 1 5.134 0.002 . 1 . . . . 6 SER HA . 19014 1 51 . 1 1 6 6 SER HB2 H 1 3.654 0.010 . 1 . . . . 6 SER HB2 . 19014 1 52 . 1 1 6 6 SER HB3 H 1 3.654 0.010 . 1 . . . . 6 SER HB3 . 19014 1 53 . 1 1 6 6 SER C C 13 173.040 0.014 . 1 . . . . 6 SER C . 19014 1 54 . 1 1 6 6 SER CA C 13 57.033 0.022 . 1 . . . . 6 SER CA . 19014 1 55 . 1 1 6 6 SER CB C 13 64.704 0.013 . 1 . . . . 6 SER CB . 19014 1 56 . 1 1 6 6 SER N N 15 113.999 0.020 . 1 . . . . 6 SER N . 19014 1 57 . 1 1 7 7 LEU H H 1 8.997 0.004 . 1 . . . . 7 LEU H . 19014 1 58 . 1 1 7 7 LEU HA H 1 4.724 0.005 . 1 . . . . 7 LEU HA . 19014 1 59 . 1 1 7 7 LEU HB2 H 1 1.746 0.007 . 2 . . . . 7 LEU HB2 . 19014 1 60 . 1 1 7 7 LEU HB3 H 1 1.451 0.004 . 2 . . . . 7 LEU HB3 . 19014 1 61 . 1 1 7 7 LEU HG H 1 1.541 0.004 . 1 . . . . 7 LEU HG . 19014 1 62 . 1 1 7 7 LEU HD11 H 1 0.924 0.003 . 2 . . . . 7 LEU HD11 . 19014 1 63 . 1 1 7 7 LEU HD12 H 1 0.924 0.003 . 2 . . . . 7 LEU HD12 . 19014 1 64 . 1 1 7 7 LEU HD13 H 1 0.924 0.003 . 2 . . . . 7 LEU HD13 . 19014 1 65 . 1 1 7 7 LEU HD21 H 1 0.816 0.003 . 2 . . . . 7 LEU HD21 . 19014 1 66 . 1 1 7 7 LEU HD22 H 1 0.816 0.003 . 2 . . . . 7 LEU HD22 . 19014 1 67 . 1 1 7 7 LEU HD23 H 1 0.816 0.003 . 2 . . . . 7 LEU HD23 . 19014 1 68 . 1 1 7 7 LEU C C 13 174.612 0.013 . 1 . . . . 7 LEU C . 19014 1 69 . 1 1 7 7 LEU CA C 13 54.055 0.024 . 1 . . . . 7 LEU CA . 19014 1 70 . 1 1 7 7 LEU CB C 13 45.870 0.015 . 1 . . . . 7 LEU CB . 19014 1 71 . 1 1 7 7 LEU CD1 C 13 25.243 0.009 . 2 . . . . 7 LEU CD1 . 19014 1 72 . 1 1 7 7 LEU CD2 C 13 26.603 0.041 . 2 . . . . 7 LEU CD2 . 19014 1 73 . 1 1 7 7 LEU N N 15 125.518 0.018 . 1 . . . . 7 LEU N . 19014 1 74 . 1 1 8 8 LYS H H 1 8.542 0.003 . 1 . . . . 8 LYS H . 19014 1 75 . 1 1 8 8 LYS HA H 1 5.193 0.005 . 1 . . . . 8 LYS HA . 19014 1 76 . 1 1 8 8 LYS HB2 H 1 1.436 0.007 . 2 . . . . 8 LYS HB2 . 19014 1 77 . 1 1 8 8 LYS HB3 H 1 1.669 0.009 . 2 . . . . 8 LYS HB3 . 19014 1 78 . 1 1 8 8 LYS HG2 H 1 1.393 0.007 . 2 . . . . 8 LYS HG2 . 19014 1 79 . 1 1 8 8 LYS HG3 H 1 1.150 0.010 . 2 . . . . 8 LYS HG3 . 19014 1 80 . 1 1 8 8 LYS HD2 H 1 1.219 0.005 . 2 . . . . 8 LYS HD2 . 19014 1 81 . 1 1 8 8 LYS HD3 H 1 1.020 0.003 . 2 . . . . 8 LYS HD3 . 19014 1 82 . 1 1 8 8 LYS HE2 H 1 2.507 0.001 . 1 . . . . 8 LYS HE2 . 19014 1 83 . 1 1 8 8 LYS HE3 H 1 2.507 0.001 . 1 . . . . 8 LYS HE3 . 19014 1 84 . 1 1 8 8 LYS C C 13 175.871 0.004 . 1 . . . . 8 LYS C . 19014 1 85 . 1 1 8 8 LYS CA C 13 55.326 0.014 . 1 . . . . 8 LYS CA . 19014 1 86 . 1 1 8 8 LYS CB C 13 34.108 0.019 . 1 . . . . 8 LYS CB . 19014 1 87 . 1 1 8 8 LYS CG C 13 25.322 0.036 . 1 . . . . 8 LYS CG . 19014 1 88 . 1 1 8 8 LYS CD C 13 29.179 0.015 . 1 . . . . 8 LYS CD . 19014 1 89 . 1 1 8 8 LYS CE C 13 41.398 0.003 . 1 . . . . 8 LYS CE . 19014 1 90 . 1 1 8 8 LYS N N 15 124.104 0.017 . 1 . . . . 8 LYS N . 19014 1 91 . 1 1 9 9 VAL H H 1 9.074 0.003 . 1 . . . . 9 VAL H . 19014 1 92 . 1 1 9 9 VAL HA H 1 4.503 0.005 . 1 . . . . 9 VAL HA . 19014 1 93 . 1 1 9 9 VAL HB H 1 1.751 0.005 . 1 . . . . 9 VAL HB . 19014 1 94 . 1 1 9 9 VAL HG11 H 1 0.674 0.005 . 2 . . . . 9 VAL HG11 . 19014 1 95 . 1 1 9 9 VAL HG12 H 1 0.674 0.005 . 2 . . . . 9 VAL HG12 . 19014 1 96 . 1 1 9 9 VAL HG13 H 1 0.674 0.005 . 2 . . . . 9 VAL HG13 . 19014 1 97 . 1 1 9 9 VAL HG21 H 1 0.780 0.006 . 2 . . . . 9 VAL HG21 . 19014 1 98 . 1 1 9 9 VAL HG22 H 1 0.780 0.006 . 2 . . . . 9 VAL HG22 . 19014 1 99 . 1 1 9 9 VAL HG23 H 1 0.780 0.006 . 2 . . . . 9 VAL HG23 . 19014 1 100 . 1 1 9 9 VAL C C 13 174.936 0.008 . 1 . . . . 9 VAL C . 19014 1 101 . 1 1 9 9 VAL CA C 13 61.407 0.014 . 1 . . . . 9 VAL CA . 19014 1 102 . 1 1 9 9 VAL CB C 13 34.630 0.023 . 1 . . . . 9 VAL CB . 19014 1 103 . 1 1 9 9 VAL CG1 C 13 21.507 0.013 . 2 . . . . 9 VAL CG1 . 19014 1 104 . 1 1 9 9 VAL CG2 C 13 21.171 0.021 . 2 . . . . 9 VAL CG2 . 19014 1 105 . 1 1 9 9 VAL N N 15 123.265 0.020 . 1 . . . . 9 VAL N . 19014 1 106 . 1 1 10 10 TYR H H 1 9.199 0.004 . 1 . . . . 10 TYR H . 19014 1 107 . 1 1 10 10 TYR HA H 1 5.057 0.005 . 1 . . . . 10 TYR HA . 19014 1 108 . 1 1 10 10 TYR HB2 H 1 3.306 0.005 . 2 . . . . 10 TYR HB2 . 19014 1 109 . 1 1 10 10 TYR HB3 H 1 3.168 0.006 . 2 . . . . 10 TYR HB3 . 19014 1 110 . 1 1 10 10 TYR HD1 H 1 6.905 0.006 . 3 . . . . 10 TYR HD1 . 19014 1 111 . 1 1 10 10 TYR HD2 H 1 6.905 0.006 . 3 . . . . 10 TYR HD2 . 19014 1 112 . 1 1 10 10 TYR HE1 H 1 6.729 0.003 . 3 . . . . 10 TYR HE1 . 19014 1 113 . 1 1 10 10 TYR HE2 H 1 6.729 0.003 . 3 . . . . 10 TYR HE2 . 19014 1 114 . 1 1 10 10 TYR C C 13 175.511 0.006 . 1 . . . . 10 TYR C . 19014 1 115 . 1 1 10 10 TYR CA C 13 57.772 0.010 . 1 . . . . 10 TYR CA . 19014 1 116 . 1 1 10 10 TYR CB C 13 38.912 0.024 . 1 . . . . 10 TYR CB . 19014 1 117 . 1 1 10 10 TYR CD1 C 13 134.351 0.022 . 3 . . . . 10 TYR CD1 . 19014 1 118 . 1 1 10 10 TYR CD2 C 13 134.351 0.022 . 3 . . . . 10 TYR CD2 . 19014 1 119 . 1 1 10 10 TYR CE1 C 13 117.804 0.022 . 3 . . . . 10 TYR CE1 . 19014 1 120 . 1 1 10 10 TYR CE2 C 13 117.804 0.022 . 3 . . . . 10 TYR CE2 . 19014 1 121 . 1 1 10 10 TYR N N 15 126.662 0.023 . 1 . . . . 10 TYR N . 19014 1 122 . 1 1 11 11 GLY H H 1 8.495 0.003 . 1 . . . . 11 GLY H . 19014 1 123 . 1 1 11 11 GLY HA2 H 1 3.558 0.008 . 2 . . . . 11 GLY HA2 . 19014 1 124 . 1 1 11 11 GLY HA3 H 1 4.382 0.010 . 2 . . . . 11 GLY HA3 . 19014 1 125 . 1 1 11 11 GLY C C 13 175.346 0.052 . 1 . . . . 11 GLY C . 19014 1 126 . 1 1 11 11 GLY CA C 13 44.899 0.012 . 1 . . . . 11 GLY CA . 19014 1 127 . 1 1 11 11 GLY N N 15 119.596 0.023 . 1 . . . . 11 GLY N . 19014 1 128 . 1 1 12 12 GLY H H 1 6.351 0.006 . 1 . . . . 12 GLY H . 19014 1 129 . 1 1 12 12 GLY HA2 H 1 3.395 0.009 . 2 . . . . 12 GLY HA2 . 19014 1 130 . 1 1 12 12 GLY HA3 H 1 3.576 0.008 . 2 . . . . 12 GLY HA3 . 19014 1 131 . 1 1 12 12 GLY C C 13 173.661 0.007 . 1 . . . . 12 GLY C . 19014 1 132 . 1 1 12 12 GLY CA C 13 47.005 0.015 . 1 . . . . 12 GLY CA . 19014 1 133 . 1 1 12 12 GLY N N 15 107.301 0.041 . 1 . . . . 12 GLY N . 19014 1 134 . 1 1 13 13 GLU H H 1 8.531 0.002 . 1 . . . . 13 GLU H . 19014 1 135 . 1 1 13 13 GLU HA H 1 4.108 0.007 . 1 . . . . 13 GLU HA . 19014 1 136 . 1 1 13 13 GLU HB2 H 1 2.111 0.002 . 2 . . . . 13 GLU HB2 . 19014 1 137 . 1 1 13 13 GLU HB3 H 1 2.081 0.004 . 2 . . . . 13 GLU HB3 . 19014 1 138 . 1 1 13 13 GLU HG2 H 1 2.294 0.004 . 2 . . . . 13 GLU HG2 . 19014 1 139 . 1 1 13 13 GLU HG3 H 1 2.427 0.002 . 2 . . . . 13 GLU HG3 . 19014 1 140 . 1 1 13 13 GLU C C 13 177.070 0.007 . 1 . . . . 13 GLU C . 19014 1 141 . 1 1 13 13 GLU CA C 13 58.587 0.015 . 1 . . . . 13 GLU CA . 19014 1 142 . 1 1 13 13 GLU CB C 13 30.098 0.026 . 1 . . . . 13 GLU CB . 19014 1 143 . 1 1 13 13 GLU CG C 13 37.678 0.024 . 1 . . . . 13 GLU CG . 19014 1 144 . 1 1 13 13 GLU N N 15 119.175 0.018 . 1 . . . . 13 GLU N . 19014 1 145 . 1 1 14 14 ILE H H 1 7.420 0.003 . 1 . . . . 14 ILE H . 19014 1 146 . 1 1 14 14 ILE HA H 1 3.999 0.005 . 1 . . . . 14 ILE HA . 19014 1 147 . 1 1 14 14 ILE HB H 1 1.601 0.004 . 1 . . . . 14 ILE HB . 19014 1 148 . 1 1 14 14 ILE HG12 H 1 1.008 0.011 . 2 . . . . 14 ILE HG12 . 19014 1 149 . 1 1 14 14 ILE HG13 H 1 1.045 0.007 . 2 . . . . 14 ILE HG13 . 19014 1 150 . 1 1 14 14 ILE HG21 H 1 0.724 0.003 . 1 . . . . 14 ILE HG21 . 19014 1 151 . 1 1 14 14 ILE HG22 H 1 0.724 0.003 . 1 . . . . 14 ILE HG22 . 19014 1 152 . 1 1 14 14 ILE HG23 H 1 0.724 0.003 . 1 . . . . 14 ILE HG23 . 19014 1 153 . 1 1 14 14 ILE HD11 H 1 0.424 0.003 . 1 . . . . 14 ILE HD11 . 19014 1 154 . 1 1 14 14 ILE HD12 H 1 0.424 0.003 . 1 . . . . 14 ILE HD12 . 19014 1 155 . 1 1 14 14 ILE HD13 H 1 0.424 0.003 . 1 . . . . 14 ILE HD13 . 19014 1 156 . 1 1 14 14 ILE C C 13 176.516 0.002 . 1 . . . . 14 ILE C . 19014 1 157 . 1 1 14 14 ILE CA C 13 61.293 0.026 . 1 . . . . 14 ILE CA . 19014 1 158 . 1 1 14 14 ILE CB C 13 37.673 0.017 . 1 . . . . 14 ILE CB . 19014 1 159 . 1 1 14 14 ILE CG1 C 13 26.943 0.023 . 1 . . . . 14 ILE CG1 . 19014 1 160 . 1 1 14 14 ILE CG2 C 13 18.507 0.012 . 1 . . . . 14 ILE CG2 . 19014 1 161 . 1 1 14 14 ILE CD1 C 13 12.015 0.006 . 1 . . . . 14 ILE CD1 . 19014 1 162 . 1 1 14 14 ILE N N 15 115.201 0.020 . 1 . . . . 14 ILE N . 19014 1 163 . 1 1 15 15 VAL H H 1 7.792 0.004 . 1 . . . . 15 VAL H . 19014 1 164 . 1 1 15 15 VAL HA H 1 4.267 0.006 . 1 . . . . 15 VAL HA . 19014 1 165 . 1 1 15 15 VAL HB H 1 1.889 0.004 . 1 . . . . 15 VAL HB . 19014 1 166 . 1 1 15 15 VAL HG11 H 1 0.432 0.003 . 2 . . . . 15 VAL HG11 . 19014 1 167 . 1 1 15 15 VAL HG12 H 1 0.432 0.003 . 2 . . . . 15 VAL HG12 . 19014 1 168 . 1 1 15 15 VAL HG13 H 1 0.432 0.003 . 2 . . . . 15 VAL HG13 . 19014 1 169 . 1 1 15 15 VAL HG21 H 1 0.865 0.007 . 2 . . . . 15 VAL HG21 . 19014 1 170 . 1 1 15 15 VAL HG22 H 1 0.865 0.007 . 2 . . . . 15 VAL HG22 . 19014 1 171 . 1 1 15 15 VAL HG23 H 1 0.865 0.007 . 2 . . . . 15 VAL HG23 . 19014 1 172 . 1 1 15 15 VAL C C 13 173.376 0.000 . 1 . . . . 15 VAL C . 19014 1 173 . 1 1 15 15 VAL CA C 13 59.483 0.009 . 1 . . . . 15 VAL CA . 19014 1 174 . 1 1 15 15 VAL CB C 13 31.840 0.008 . 1 . . . . 15 VAL CB . 19014 1 175 . 1 1 15 15 VAL CG1 C 13 19.673 0.010 . 2 . . . . 15 VAL CG1 . 19014 1 176 . 1 1 15 15 VAL CG2 C 13 22.346 0.030 . 2 . . . . 15 VAL CG2 . 19014 1 177 . 1 1 15 15 VAL N N 15 119.964 0.021 . 1 . . . . 15 VAL N . 19014 1 178 . 1 1 16 16 PRO HA H 1 4.448 0.005 . 1 . . . . 16 PRO HA . 19014 1 179 . 1 1 16 16 PRO HB2 H 1 2.386 0.005 . 2 . . . . 16 PRO HB2 . 19014 1 180 . 1 1 16 16 PRO HB3 H 1 1.919 0.006 . 2 . . . . 16 PRO HB3 . 19014 1 181 . 1 1 16 16 PRO HG2 H 1 1.989 0.003 . 1 . . . . 16 PRO HG2 . 19014 1 182 . 1 1 16 16 PRO HG3 H 1 1.989 0.003 . 1 . . . . 16 PRO HG3 . 19014 1 183 . 1 1 16 16 PRO HD2 H 1 3.760 0.006 . 2 . . . . 16 PRO HD2 . 19014 1 184 . 1 1 16 16 PRO HD3 H 1 3.261 0.004 . 2 . . . . 16 PRO HD3 . 19014 1 185 . 1 1 16 16 PRO C C 13 178.074 0.000 . 1 . . . . 16 PRO C . 19014 1 186 . 1 1 16 16 PRO CA C 13 65.038 0.015 . 1 . . . . 16 PRO CA . 19014 1 187 . 1 1 16 16 PRO CB C 13 32.185 0.038 . 1 . . . . 16 PRO CB . 19014 1 188 . 1 1 16 16 PRO CG C 13 27.220 0.018 . 1 . . . . 16 PRO CG . 19014 1 189 . 1 1 16 16 PRO CD C 13 50.233 0.019 . 1 . . . . 16 PRO CD . 19014 1 190 . 1 1 17 17 THR H H 1 7.264 0.003 . 1 . . . . 17 THR H . 19014 1 191 . 1 1 17 17 THR HA H 1 4.196 0.007 . 1 . . . . 17 THR HA . 19014 1 192 . 1 1 17 17 THR HB H 1 4.452 0.006 . 1 . . . . 17 THR HB . 19014 1 193 . 1 1 17 17 THR HG21 H 1 1.251 0.009 . 1 . . . . 17 THR HG21 . 19014 1 194 . 1 1 17 17 THR HG22 H 1 1.251 0.009 . 1 . . . . 17 THR HG22 . 19014 1 195 . 1 1 17 17 THR HG23 H 1 1.251 0.009 . 1 . . . . 17 THR HG23 . 19014 1 196 . 1 1 17 17 THR C C 13 174.813 0.007 . 1 . . . . 17 THR C . 19014 1 197 . 1 1 17 17 THR CA C 13 62.002 0.020 . 1 . . . . 17 THR CA . 19014 1 198 . 1 1 17 17 THR CB C 13 69.134 0.030 . 1 . . . . 17 THR CB . 19014 1 199 . 1 1 17 17 THR CG2 C 13 22.158 0.013 . 1 . . . . 17 THR CG2 . 19014 1 200 . 1 1 17 17 THR N N 15 103.180 0.021 . 1 . . . . 17 THR N . 19014 1 201 . 1 1 18 18 ARG H H 1 7.807 0.003 . 1 . . . . 18 ARG H . 19014 1 202 . 1 1 18 18 ARG HA H 1 4.809 0.003 . 1 . . . . 18 ARG HA . 19014 1 203 . 1 1 18 18 ARG HB2 H 1 1.930 0.005 . 2 . . . . 18 ARG HB2 . 19014 1 204 . 1 1 18 18 ARG HB3 H 1 1.641 0.005 . 2 . . . . 18 ARG HB3 . 19014 1 205 . 1 1 18 18 ARG HG2 H 1 1.590 0.005 . 2 . . . . 18 ARG HG2 . 19014 1 206 . 1 1 18 18 ARG HG3 H 1 1.502 0.005 . 2 . . . . 18 ARG HG3 . 19014 1 207 . 1 1 18 18 ARG HD2 H 1 3.049 0.003 . 2 . . . . 18 ARG HD2 . 19014 1 208 . 1 1 18 18 ARG HD3 H 1 3.098 0.001 . 2 . . . . 18 ARG HD3 . 19014 1 209 . 1 1 18 18 ARG C C 13 171.729 0.000 . 1 . . . . 18 ARG C . 19014 1 210 . 1 1 18 18 ARG CA C 13 53.759 0.040 . 1 . . . . 18 ARG CA . 19014 1 211 . 1 1 18 18 ARG CB C 13 31.991 0.041 . 1 . . . . 18 ARG CB . 19014 1 212 . 1 1 18 18 ARG CG C 13 26.525 0.051 . 1 . . . . 18 ARG CG . 19014 1 213 . 1 1 18 18 ARG CD C 13 44.184 0.012 . 1 . . . . 18 ARG CD . 19014 1 214 . 1 1 18 18 ARG N N 15 122.766 0.017 . 1 . . . . 18 ARG N . 19014 1 215 . 1 1 19 19 PRO HA H 1 3.788 0.005 . 1 . . . . 19 PRO HA . 19014 1 216 . 1 1 19 19 PRO HB2 H 1 2.363 0.004 . 2 . . . . 19 PRO HB2 . 19014 1 217 . 1 1 19 19 PRO HB3 H 1 2.037 0.006 . 2 . . . . 19 PRO HB3 . 19014 1 218 . 1 1 19 19 PRO HG2 H 1 2.131 0.009 . 1 . . . . 19 PRO HG2 . 19014 1 219 . 1 1 19 19 PRO HG3 H 1 2.132 0.010 . 1 . . . . 19 PRO HG3 . 19014 1 220 . 1 1 19 19 PRO HD2 H 1 3.782 0.005 . 2 . . . . 19 PRO HD2 . 19014 1 221 . 1 1 19 19 PRO HD3 H 1 3.421 0.007 . 2 . . . . 19 PRO HD3 . 19014 1 222 . 1 1 19 19 PRO C C 13 174.788 0.002 . 1 . . . . 19 PRO C . 19014 1 223 . 1 1 19 19 PRO CA C 13 65.515 0.012 . 1 . . . . 19 PRO CA . 19014 1 224 . 1 1 19 19 PRO CB C 13 32.474 0.048 . 1 . . . . 19 PRO CB . 19014 1 225 . 1 1 19 19 PRO CG C 13 27.445 0.033 . 1 . . . . 19 PRO CG . 19014 1 226 . 1 1 19 19 PRO CD C 13 50.118 0.013 . 1 . . . . 19 PRO CD . 19014 1 227 . 1 1 20 20 TYR H H 1 7.589 0.003 . 1 . . . . 20 TYR H . 19014 1 228 . 1 1 20 20 TYR HA H 1 5.613 0.004 . 1 . . . . 20 TYR HA . 19014 1 229 . 1 1 20 20 TYR HB2 H 1 2.648 0.002 . 2 . . . . 20 TYR HB2 . 19014 1 230 . 1 1 20 20 TYR HB3 H 1 2.631 0.012 . 1 . . . . 20 TYR HB3 . 19014 1 231 . 1 1 20 20 TYR HD1 H 1 6.896 0.006 . 3 . . . . 20 TYR HD1 . 19014 1 232 . 1 1 20 20 TYR HD2 H 1 6.896 0.006 . 3 . . . . 20 TYR HD2 . 19014 1 233 . 1 1 20 20 TYR HE1 H 1 6.747 0.005 . 3 . . . . 20 TYR HE1 . 19014 1 234 . 1 1 20 20 TYR HE2 H 1 6.747 0.005 . 3 . . . . 20 TYR HE2 . 19014 1 235 . 1 1 20 20 TYR C C 13 175.448 0.005 . 1 . . . . 20 TYR C . 19014 1 236 . 1 1 20 20 TYR CA C 13 56.488 0.009 . 1 . . . . 20 TYR CA . 19014 1 237 . 1 1 20 20 TYR CB C 13 42.125 0.023 . 1 . . . . 20 TYR CB . 19014 1 238 . 1 1 20 20 TYR CD1 C 13 133.480 0.031 . 3 . . . . 20 TYR CD1 . 19014 1 239 . 1 1 20 20 TYR CD2 C 13 133.480 0.031 . 3 . . . . 20 TYR CD2 . 19014 1 240 . 1 1 20 20 TYR CE1 C 13 118.035 0.049 . 3 . . . . 20 TYR CE1 . 19014 1 241 . 1 1 20 20 TYR CE2 C 13 118.035 0.049 . 3 . . . . 20 TYR CE2 . 19014 1 242 . 1 1 20 20 TYR N N 15 110.928 0.033 . 1 . . . . 20 TYR N . 19014 1 243 . 1 1 21 21 VAL H H 1 8.448 0.004 . 1 . . . . 21 VAL H . 19014 1 244 . 1 1 21 21 VAL HA H 1 4.438 0.006 . 1 . . . . 21 VAL HA . 19014 1 245 . 1 1 21 21 VAL HB H 1 1.745 0.006 . 1 . . . . 21 VAL HB . 19014 1 246 . 1 1 21 21 VAL HG11 H 1 0.032 0.004 . 2 . . . . 21 VAL HG11 . 19014 1 247 . 1 1 21 21 VAL HG12 H 1 0.032 0.004 . 2 . . . . 21 VAL HG12 . 19014 1 248 . 1 1 21 21 VAL HG13 H 1 0.032 0.004 . 2 . . . . 21 VAL HG13 . 19014 1 249 . 1 1 21 21 VAL HG21 H 1 0.681 0.004 . 2 . . . . 21 VAL HG21 . 19014 1 250 . 1 1 21 21 VAL HG22 H 1 0.681 0.004 . 2 . . . . 21 VAL HG22 . 19014 1 251 . 1 1 21 21 VAL HG23 H 1 0.681 0.004 . 2 . . . . 21 VAL HG23 . 19014 1 252 . 1 1 21 21 VAL C C 13 174.082 0.004 . 1 . . . . 21 VAL C . 19014 1 253 . 1 1 21 21 VAL CA C 13 58.940 0.011 . 1 . . . . 21 VAL CA . 19014 1 254 . 1 1 21 21 VAL CB C 13 35.034 0.063 . 1 . . . . 21 VAL CB . 19014 1 255 . 1 1 21 21 VAL CG1 C 13 19.919 0.011 . 2 . . . . 21 VAL CG1 . 19014 1 256 . 1 1 21 21 VAL CG2 C 13 17.043 0.031 . 2 . . . . 21 VAL CG2 . 19014 1 257 . 1 1 21 21 VAL N N 15 111.893 0.020 . 1 . . . . 21 VAL N . 19014 1 258 . 1 1 22 22 SER H H 1 8.355 0.003 . 1 . . . . 22 SER H . 19014 1 259 . 1 1 22 22 SER HA H 1 5.484 0.005 . 1 . . . . 22 SER HA . 19014 1 260 . 1 1 22 22 SER HB2 H 1 3.654 0.006 . 2 . . . . 22 SER HB2 . 19014 1 261 . 1 1 22 22 SER HB3 H 1 3.573 0.008 . 2 . . . . 22 SER HB3 . 19014 1 262 . 1 1 22 22 SER C C 13 174.163 0.027 . 1 . . . . 22 SER C . 19014 1 263 . 1 1 22 22 SER CA C 13 56.860 0.012 . 1 . . . . 22 SER CA . 19014 1 264 . 1 1 22 22 SER CB C 13 64.265 0.026 . 1 . . . . 22 SER CB . 19014 1 265 . 1 1 22 22 SER N N 15 117.037 0.019 . 1 . . . . 22 SER N . 19014 1 266 . 1 1 23 23 ILE H H 1 8.977 0.003 . 1 . . . . 23 ILE H . 19014 1 267 . 1 1 23 23 ILE HA H 1 4.724 0.005 . 1 . . . . 23 ILE HA . 19014 1 268 . 1 1 23 23 ILE HB H 1 1.904 0.006 . 1 . . . . 23 ILE HB . 19014 1 269 . 1 1 23 23 ILE HG12 H 1 1.298 0.007 . 2 . . . . 23 ILE HG12 . 19014 1 270 . 1 1 23 23 ILE HG13 H 1 0.983 0.006 . 2 . . . . 23 ILE HG13 . 19014 1 271 . 1 1 23 23 ILE HG21 H 1 0.674 0.006 . 1 . . . . 23 ILE HG21 . 19014 1 272 . 1 1 23 23 ILE HG22 H 1 0.674 0.006 . 1 . . . . 23 ILE HG22 . 19014 1 273 . 1 1 23 23 ILE HG23 H 1 0.674 0.006 . 1 . . . . 23 ILE HG23 . 19014 1 274 . 1 1 23 23 ILE HD11 H 1 0.845 0.004 . 1 . . . . 23 ILE HD11 . 19014 1 275 . 1 1 23 23 ILE HD12 H 1 0.845 0.004 . 1 . . . . 23 ILE HD12 . 19014 1 276 . 1 1 23 23 ILE HD13 H 1 0.845 0.004 . 1 . . . . 23 ILE HD13 . 19014 1 277 . 1 1 23 23 ILE C C 13 174.492 0.008 . 1 . . . . 23 ILE C . 19014 1 278 . 1 1 23 23 ILE CA C 13 58.484 0.016 . 1 . . . . 23 ILE CA . 19014 1 279 . 1 1 23 23 ILE CB C 13 41.709 0.017 . 1 . . . . 23 ILE CB . 19014 1 280 . 1 1 23 23 ILE CG1 C 13 26.038 0.058 . 1 . . . . 23 ILE CG1 . 19014 1 281 . 1 1 23 23 ILE CG2 C 13 17.600 0.034 . 1 . . . . 23 ILE CG2 . 19014 1 282 . 1 1 23 23 ILE CD1 C 13 15.609 0.017 . 1 . . . . 23 ILE CD1 . 19014 1 283 . 1 1 23 23 ILE N N 15 117.773 0.024 . 1 . . . . 23 ILE N . 19014 1 284 . 1 1 24 24 LEU H H 1 8.093 0.003 . 1 . . . . 24 LEU H . 19014 1 285 . 1 1 24 24 LEU HA H 1 4.926 0.003 . 1 . . . . 24 LEU HA . 19014 1 286 . 1 1 24 24 LEU HB2 H 1 1.607 0.006 . 2 . . . . 24 LEU HB2 . 19014 1 287 . 1 1 24 24 LEU HB3 H 1 1.437 0.006 . 2 . . . . 24 LEU HB3 . 19014 1 288 . 1 1 24 24 LEU HG H 1 1.583 0.009 . 1 . . . . 24 LEU HG . 19014 1 289 . 1 1 24 24 LEU HD11 H 1 0.786 0.001 . 2 . . . . 24 LEU HD11 . 19014 1 290 . 1 1 24 24 LEU HD12 H 1 0.786 0.001 . 2 . . . . 24 LEU HD12 . 19014 1 291 . 1 1 24 24 LEU HD13 H 1 0.786 0.001 . 2 . . . . 24 LEU HD13 . 19014 1 292 . 1 1 24 24 LEU HD21 H 1 0.865 0.003 . 2 . . . . 24 LEU HD21 . 19014 1 293 . 1 1 24 24 LEU HD22 H 1 0.865 0.003 . 2 . . . . 24 LEU HD22 . 19014 1 294 . 1 1 24 24 LEU HD23 H 1 0.865 0.003 . 2 . . . . 24 LEU HD23 . 19014 1 295 . 1 1 24 24 LEU C C 13 176.283 0.009 . 1 . . . . 24 LEU C . 19014 1 296 . 1 1 24 24 LEU CA C 13 53.801 0.011 . 1 . . . . 24 LEU CA . 19014 1 297 . 1 1 24 24 LEU CB C 13 42.023 0.015 . 1 . . . . 24 LEU CB . 19014 1 298 . 1 1 24 24 LEU CG C 13 27.031 0.000 . 1 . . . . 24 LEU CG . 19014 1 299 . 1 1 24 24 LEU CD1 C 13 23.276 0.011 . 2 . . . . 24 LEU CD1 . 19014 1 300 . 1 1 24 24 LEU CD2 C 13 25.022 0.016 . 2 . . . . 24 LEU CD2 . 19014 1 301 . 1 1 24 24 LEU N N 15 122.416 0.015 . 1 . . . . 24 LEU N . 19014 1 302 . 1 1 25 25 ALA H H 1 8.286 0.004 . 1 . . . . 25 ALA H . 19014 1 303 . 1 1 25 25 ALA HA H 1 4.724 0.004 . 1 . . . . 25 ALA HA . 19014 1 304 . 1 1 25 25 ALA HB1 H 1 1.124 0.003 . 1 . . . . 25 ALA HB1 . 19014 1 305 . 1 1 25 25 ALA HB2 H 1 1.124 0.003 . 1 . . . . 25 ALA HB2 . 19014 1 306 . 1 1 25 25 ALA HB3 H 1 1.124 0.003 . 1 . . . . 25 ALA HB3 . 19014 1 307 . 1 1 25 25 ALA C C 13 175.527 0.002 . 1 . . . . 25 ALA C . 19014 1 308 . 1 1 25 25 ALA CA C 13 51.112 0.012 . 1 . . . . 25 ALA CA . 19014 1 309 . 1 1 25 25 ALA CB C 13 22.232 0.006 . 1 . . . . 25 ALA CB . 19014 1 310 . 1 1 25 25 ALA N N 15 125.087 0.046 . 1 . . . . 25 ALA N . 19014 1 311 . 1 1 26 26 GLU H H 1 8.259 0.007 . 1 . . . . 26 GLU H . 19014 1 312 . 1 1 26 26 GLU HA H 1 4.637 0.004 . 1 . . . . 26 GLU HA . 19014 1 313 . 1 1 26 26 GLU HB2 H 1 2.229 0.006 . 2 . . . . 26 GLU HB2 . 19014 1 314 . 1 1 26 26 GLU HB3 H 1 1.844 0.004 . 2 . . . . 26 GLU HB3 . 19014 1 315 . 1 1 26 26 GLU HG2 H 1 2.271 0.003 . 2 . . . . 26 GLU HG2 . 19014 1 316 . 1 1 26 26 GLU HG3 H 1 2.356 0.004 . 2 . . . . 26 GLU HG3 . 19014 1 317 . 1 1 26 26 GLU C C 13 177.545 0.001 . 1 . . . . 26 GLU C . 19014 1 318 . 1 1 26 26 GLU CA C 13 54.541 0.032 . 1 . . . . 26 GLU CA . 19014 1 319 . 1 1 26 26 GLU CB C 13 31.827 0.037 . 1 . . . . 26 GLU CB . 19014 1 320 . 1 1 26 26 GLU CG C 13 36.452 0.021 . 1 . . . . 26 GLU CG . 19014 1 321 . 1 1 26 26 GLU N N 15 119.079 0.027 . 1 . . . . 26 GLU N . 19014 1 322 . 1 1 27 27 ILE H H 1 8.616 0.002 . 1 . . . . 27 ILE H . 19014 1 323 . 1 1 27 27 ILE HA H 1 3.591 0.007 . 1 . . . . 27 ILE HA . 19014 1 324 . 1 1 27 27 ILE HB H 1 1.702 0.005 . 1 . . . . 27 ILE HB . 19014 1 325 . 1 1 27 27 ILE HG12 H 1 0.936 0.007 . 2 . . . . 27 ILE HG12 . 19014 1 326 . 1 1 27 27 ILE HG13 H 1 1.108 0.010 . 2 . . . . 27 ILE HG13 . 19014 1 327 . 1 1 27 27 ILE HG21 H 1 0.826 0.007 . 1 . . . . 27 ILE HG21 . 19014 1 328 . 1 1 27 27 ILE HG22 H 1 0.826 0.007 . 1 . . . . 27 ILE HG22 . 19014 1 329 . 1 1 27 27 ILE HG23 H 1 0.826 0.007 . 1 . . . . 27 ILE HG23 . 19014 1 330 . 1 1 27 27 ILE HD11 H 1 0.806 0.007 . 1 . . . . 27 ILE HD11 . 19014 1 331 . 1 1 27 27 ILE HD12 H 1 0.806 0.007 . 1 . . . . 27 ILE HD12 . 19014 1 332 . 1 1 27 27 ILE HD13 H 1 0.806 0.007 . 1 . . . . 27 ILE HD13 . 19014 1 333 . 1 1 27 27 ILE C C 13 174.340 0.005 . 1 . . . . 27 ILE C . 19014 1 334 . 1 1 27 27 ILE CA C 13 63.501 0.008 . 1 . . . . 27 ILE CA . 19014 1 335 . 1 1 27 27 ILE CB C 13 38.446 0.042 . 1 . . . . 27 ILE CB . 19014 1 336 . 1 1 27 27 ILE CG1 C 13 28.248 0.008 . 1 . . . . 27 ILE CG1 . 19014 1 337 . 1 1 27 27 ILE CG2 C 13 16.771 0.022 . 1 . . . . 27 ILE CG2 . 19014 1 338 . 1 1 27 27 ILE CD1 C 13 14.192 0.016 . 1 . . . . 27 ILE CD1 . 19014 1 339 . 1 1 27 27 ILE N N 15 118.604 0.017 . 1 . . . . 27 ILE N . 19014 1 340 . 1 1 28 28 ASN H H 1 7.681 0.003 . 1 . . . . 28 ASN H . 19014 1 341 . 1 1 28 28 ASN HA H 1 4.590 0.008 . 1 . . . . 28 ASN HA . 19014 1 342 . 1 1 28 28 ASN HB2 H 1 3.114 0.007 . 2 . . . . 28 ASN HB2 . 19014 1 343 . 1 1 28 28 ASN HB3 H 1 2.758 0.007 . 2 . . . . 28 ASN HB3 . 19014 1 344 . 1 1 28 28 ASN HD21 H 1 6.838 0.003 . 1 . . . . 28 ASN HD21 . 19014 1 345 . 1 1 28 28 ASN HD22 H 1 7.625 0.003 . 1 . . . . 28 ASN HD22 . 19014 1 346 . 1 1 28 28 ASN C C 13 174.958 0.012 . 1 . . . . 28 ASN C . 19014 1 347 . 1 1 28 28 ASN CA C 13 52.043 0.015 . 1 . . . . 28 ASN CA . 19014 1 348 . 1 1 28 28 ASN CB C 13 38.089 0.013 . 1 . . . . 28 ASN CB . 19014 1 349 . 1 1 28 28 ASN N N 15 114.500 0.018 . 1 . . . . 28 ASN N . 19014 1 350 . 1 1 28 28 ASN ND2 N 15 112.078 0.112 . 1 . . . . 28 ASN ND2 . 19014 1 351 . 1 1 29 29 GLU H H 1 7.506 0.003 . 1 . . . . 29 GLU H . 19014 1 352 . 1 1 29 29 GLU HA H 1 4.240 0.008 . 1 . . . . 29 GLU HA . 19014 1 353 . 1 1 29 29 GLU HB2 H 1 2.198 0.006 . 2 . . . . 29 GLU HB2 . 19014 1 354 . 1 1 29 29 GLU HB3 H 1 1.925 0.009 . 2 . . . . 29 GLU HB3 . 19014 1 355 . 1 1 29 29 GLU HG2 H 1 2.270 0.004 . 2 . . . . 29 GLU HG2 . 19014 1 356 . 1 1 29 29 GLU HG3 H 1 2.495 0.006 . 2 . . . . 29 GLU HG3 . 19014 1 357 . 1 1 29 29 GLU C C 13 176.026 0.003 . 1 . . . . 29 GLU C . 19014 1 358 . 1 1 29 29 GLU CA C 13 56.825 0.036 . 1 . . . . 29 GLU CA . 19014 1 359 . 1 1 29 29 GLU CB C 13 30.647 0.019 . 1 . . . . 29 GLU CB . 19014 1 360 . 1 1 29 29 GLU CG C 13 37.349 0.013 . 1 . . . . 29 GLU CG . 19014 1 361 . 1 1 29 29 GLU N N 15 120.761 0.016 . 1 . . . . 29 GLU N . 19014 1 362 . 1 1 30 30 ASN H H 1 8.506 0.003 . 1 . . . . 30 ASN H . 19014 1 363 . 1 1 30 30 ASN HA H 1 5.226 0.006 . 1 . . . . 30 ASN HA . 19014 1 364 . 1 1 30 30 ASN HB2 H 1 3.212 0.009 . 2 . . . . 30 ASN HB2 . 19014 1 365 . 1 1 30 30 ASN HB3 H 1 2.841 0.007 . 2 . . . . 30 ASN HB3 . 19014 1 366 . 1 1 30 30 ASN HD21 H 1 6.823 0.004 . 1 . . . . 30 ASN HD21 . 19014 1 367 . 1 1 30 30 ASN HD22 H 1 7.531 0.005 . 1 . . . . 30 ASN HD22 . 19014 1 368 . 1 1 30 30 ASN C C 13 175.611 0.007 . 1 . . . . 30 ASN C . 19014 1 369 . 1 1 30 30 ASN CA C 13 51.790 0.016 . 1 . . . . 30 ASN CA . 19014 1 370 . 1 1 30 30 ASN CB C 13 39.280 0.020 . 1 . . . . 30 ASN CB . 19014 1 371 . 1 1 30 30 ASN N N 15 120.503 0.014 . 1 . . . . 30 ASN N . 19014 1 372 . 1 1 30 30 ASN ND2 N 15 110.310 0.025 . 1 . . . . 30 ASN ND2 . 19014 1 373 . 1 1 31 31 ALA H H 1 8.685 0.003 . 1 . . . . 31 ALA H . 19014 1 374 . 1 1 31 31 ALA HA H 1 3.843 0.006 . 1 . . . . 31 ALA HA . 19014 1 375 . 1 1 31 31 ALA HB1 H 1 1.498 0.003 . 1 . . . . 31 ALA HB1 . 19014 1 376 . 1 1 31 31 ALA HB2 H 1 1.498 0.003 . 1 . . . . 31 ALA HB2 . 19014 1 377 . 1 1 31 31 ALA HB3 H 1 1.498 0.003 . 1 . . . . 31 ALA HB3 . 19014 1 378 . 1 1 31 31 ALA C C 13 179.562 0.008 . 1 . . . . 31 ALA C . 19014 1 379 . 1 1 31 31 ALA CA C 13 54.777 0.025 . 1 . . . . 31 ALA CA . 19014 1 380 . 1 1 31 31 ALA CB C 13 19.671 0.010 . 1 . . . . 31 ALA CB . 19014 1 381 . 1 1 31 31 ALA N N 15 120.255 0.041 . 1 . . . . 31 ALA N . 19014 1 382 . 1 1 32 32 ASP H H 1 8.535 0.003 . 1 . . . . 32 ASP H . 19014 1 383 . 1 1 32 32 ASP HA H 1 4.411 0.007 . 1 . . . . 32 ASP HA . 19014 1 384 . 1 1 32 32 ASP HB2 H 1 2.666 0.005 . 2 . . . . 32 ASP HB2 . 19014 1 385 . 1 1 32 32 ASP HB3 H 1 2.820 0.006 . 2 . . . . 32 ASP HB3 . 19014 1 386 . 1 1 32 32 ASP C C 13 178.526 0.007 . 1 . . . . 32 ASP C . 19014 1 387 . 1 1 32 32 ASP CA C 13 58.091 0.017 . 1 . . . . 32 ASP CA . 19014 1 388 . 1 1 32 32 ASP CB C 13 42.024 0.014 . 1 . . . . 32 ASP CB . 19014 1 389 . 1 1 32 32 ASP N N 15 121.744 0.034 . 1 . . . . 32 ASP N . 19014 1 390 . 1 1 33 33 ARG H H 1 8.281 0.003 . 1 . . . . 33 ARG H . 19014 1 391 . 1 1 33 33 ARG HA H 1 4.143 0.004 . 1 . . . . 33 ARG HA . 19014 1 392 . 1 1 33 33 ARG HB2 H 1 2.037 0.006 . 1 . . . . 33 ARG HB2 . 19014 1 393 . 1 1 33 33 ARG HB3 H 1 2.037 0.006 . 1 . . . . 33 ARG HB3 . 19014 1 394 . 1 1 33 33 ARG HG2 H 1 1.793 0.008 . 1 . . . . 33 ARG HG2 . 19014 1 395 . 1 1 33 33 ARG HG3 H 1 1.793 0.008 . 1 . . . . 33 ARG HG3 . 19014 1 396 . 1 1 33 33 ARG HD2 H 1 3.204 0.003 . 2 . . . . 33 ARG HD2 . 19014 1 397 . 1 1 33 33 ARG HD3 H 1 3.330 0.001 . 2 . . . . 33 ARG HD3 . 19014 1 398 . 1 1 33 33 ARG HE H 1 7.476 0.003 . 1 . . . . 33 ARG HE . 19014 1 399 . 1 1 33 33 ARG C C 13 179.781 0.000 . 1 . . . . 33 ARG C . 19014 1 400 . 1 1 33 33 ARG CA C 13 58.519 0.011 . 1 . . . . 33 ARG CA . 19014 1 401 . 1 1 33 33 ARG CB C 13 29.617 0.011 . 1 . . . . 33 ARG CB . 19014 1 402 . 1 1 33 33 ARG CG C 13 27.581 0.014 . 1 . . . . 33 ARG CG . 19014 1 403 . 1 1 33 33 ARG CD C 13 42.935 0.015 . 1 . . . . 33 ARG CD . 19014 1 404 . 1 1 33 33 ARG N N 15 120.326 0.032 . 1 . . . . 33 ARG N . 19014 1 405 . 1 1 33 33 ARG NE N 15 85.338 0.020 . 1 . . . . 33 ARG NE . 19014 1 406 . 1 1 34 34 ILE H H 1 8.445 0.002 . 1 . . . . 34 ILE H . 19014 1 407 . 1 1 34 34 ILE HA H 1 3.523 0.003 . 1 . . . . 34 ILE HA . 19014 1 408 . 1 1 34 34 ILE HB H 1 1.584 0.006 . 1 . . . . 34 ILE HB . 19014 1 409 . 1 1 34 34 ILE HG12 H 1 0.660 0.007 . 2 . . . . 34 ILE HG12 . 19014 1 410 . 1 1 34 34 ILE HG13 H 1 1.760 0.007 . 2 . . . . 34 ILE HG13 . 19014 1 411 . 1 1 34 34 ILE HG21 H 1 0.715 0.003 . 1 . . . . 34 ILE HG21 . 19014 1 412 . 1 1 34 34 ILE HG22 H 1 0.715 0.003 . 1 . . . . 34 ILE HG22 . 19014 1 413 . 1 1 34 34 ILE HG23 H 1 0.715 0.003 . 1 . . . . 34 ILE HG23 . 19014 1 414 . 1 1 34 34 ILE HD11 H 1 0.583 0.005 . 1 . . . . 34 ILE HD11 . 19014 1 415 . 1 1 34 34 ILE HD12 H 1 0.583 0.005 . 1 . . . . 34 ILE HD12 . 19014 1 416 . 1 1 34 34 ILE HD13 H 1 0.583 0.005 . 1 . . . . 34 ILE HD13 . 19014 1 417 . 1 1 34 34 ILE C C 13 177.013 0.005 . 1 . . . . 34 ILE C . 19014 1 418 . 1 1 34 34 ILE CA C 13 65.682 0.006 . 1 . . . . 34 ILE CA . 19014 1 419 . 1 1 34 34 ILE CB C 13 38.425 0.055 . 1 . . . . 34 ILE CB . 19014 1 420 . 1 1 34 34 ILE CG1 C 13 29.053 0.025 . 1 . . . . 34 ILE CG1 . 19014 1 421 . 1 1 34 34 ILE CG2 C 13 17.290 0.017 . 1 . . . . 34 ILE CG2 . 19014 1 422 . 1 1 34 34 ILE CD1 C 13 13.560 0.016 . 1 . . . . 34 ILE CD1 . 19014 1 423 . 1 1 34 34 ILE N N 15 121.651 0.055 . 1 . . . . 34 ILE N . 19014 1 424 . 1 1 35 35 LEU H H 1 8.637 0.003 . 1 . . . . 35 LEU H . 19014 1 425 . 1 1 35 35 LEU HA H 1 3.952 0.005 . 1 . . . . 35 LEU HA . 19014 1 426 . 1 1 35 35 LEU HB2 H 1 2.138 0.005 . 2 . . . . 35 LEU HB2 . 19014 1 427 . 1 1 35 35 LEU HB3 H 1 1.593 0.008 . 2 . . . . 35 LEU HB3 . 19014 1 428 . 1 1 35 35 LEU HG H 1 1.449 0.004 . 1 . . . . 35 LEU HG . 19014 1 429 . 1 1 35 35 LEU HD11 H 1 0.815 0.006 . 2 . . . . 35 LEU HD11 . 19014 1 430 . 1 1 35 35 LEU HD12 H 1 0.815 0.006 . 2 . . . . 35 LEU HD12 . 19014 1 431 . 1 1 35 35 LEU HD13 H 1 0.815 0.006 . 2 . . . . 35 LEU HD13 . 19014 1 432 . 1 1 35 35 LEU HD21 H 1 1.026 0.005 . 2 . . . . 35 LEU HD21 . 19014 1 433 . 1 1 35 35 LEU HD22 H 1 1.026 0.005 . 2 . . . . 35 LEU HD22 . 19014 1 434 . 1 1 35 35 LEU HD23 H 1 1.026 0.005 . 2 . . . . 35 LEU HD23 . 19014 1 435 . 1 1 35 35 LEU C C 13 178.717 0.006 . 1 . . . . 35 LEU C . 19014 1 436 . 1 1 35 35 LEU CA C 13 58.074 0.040 . 1 . . . . 35 LEU CA . 19014 1 437 . 1 1 35 35 LEU CB C 13 41.856 0.059 . 1 . . . . 35 LEU CB . 19014 1 438 . 1 1 35 35 LEU CG C 13 27.384 0.000 . 1 . . . . 35 LEU CG . 19014 1 439 . 1 1 35 35 LEU CD1 C 13 23.659 0.012 . 2 . . . . 35 LEU CD1 . 19014 1 440 . 1 1 35 35 LEU CD2 C 13 26.705 0.035 . 2 . . . . 35 LEU CD2 . 19014 1 441 . 1 1 35 35 LEU N N 15 118.461 0.029 . 1 . . . . 35 LEU N . 19014 1 442 . 1 1 36 36 GLY H H 1 8.266 0.004 . 1 . . . . 36 GLY H . 19014 1 443 . 1 1 36 36 GLY HA2 H 1 3.547 0.008 . 2 . . . . 36 GLY HA2 . 19014 1 444 . 1 1 36 36 GLY HA3 H 1 4.097 0.011 . 2 . . . . 36 GLY HA3 . 19014 1 445 . 1 1 36 36 GLY C C 13 175.358 0.009 . 1 . . . . 36 GLY C . 19014 1 446 . 1 1 36 36 GLY CA C 13 47.910 0.023 . 1 . . . . 36 GLY CA . 19014 1 447 . 1 1 36 36 GLY N N 15 104.498 0.034 . 1 . . . . 36 GLY N . 19014 1 448 . 1 1 37 37 ALA H H 1 8.374 0.004 . 1 . . . . 37 ALA H . 19014 1 449 . 1 1 37 37 ALA HA H 1 4.192 0.007 . 1 . . . . 37 ALA HA . 19014 1 450 . 1 1 37 37 ALA HB1 H 1 1.548 0.004 . 1 . . . . 37 ALA HB1 . 19014 1 451 . 1 1 37 37 ALA HB2 H 1 1.548 0.004 . 1 . . . . 37 ALA HB2 . 19014 1 452 . 1 1 37 37 ALA HB3 H 1 1.548 0.004 . 1 . . . . 37 ALA HB3 . 19014 1 453 . 1 1 37 37 ALA C C 13 181.123 0.001 . 1 . . . . 37 ALA C . 19014 1 454 . 1 1 37 37 ALA CA C 13 54.746 0.019 . 1 . . . . 37 ALA CA . 19014 1 455 . 1 1 37 37 ALA CB C 13 18.625 0.005 . 1 . . . . 37 ALA CB . 19014 1 456 . 1 1 37 37 ALA N N 15 123.949 0.014 . 1 . . . . 37 ALA N . 19014 1 457 . 1 1 38 38 ALA H H 1 8.427 0.005 . 1 . . . . 38 ALA H . 19014 1 458 . 1 1 38 38 ALA HA H 1 3.885 0.006 . 1 . . . . 38 ALA HA . 19014 1 459 . 1 1 38 38 ALA HB1 H 1 1.344 0.003 . 1 . . . . 38 ALA HB1 . 19014 1 460 . 1 1 38 38 ALA HB2 H 1 1.344 0.003 . 1 . . . . 38 ALA HB2 . 19014 1 461 . 1 1 38 38 ALA HB3 H 1 1.344 0.003 . 1 . . . . 38 ALA HB3 . 19014 1 462 . 1 1 38 38 ALA C C 13 179.322 0.003 . 1 . . . . 38 ALA C . 19014 1 463 . 1 1 38 38 ALA CA C 13 54.870 0.011 . 1 . . . . 38 ALA CA . 19014 1 464 . 1 1 38 38 ALA CB C 13 18.284 0.013 . 1 . . . . 38 ALA CB . 19014 1 465 . 1 1 38 38 ALA N N 15 121.185 0.071 . 1 . . . . 38 ALA N . 19014 1 466 . 1 1 39 39 LEU H H 1 8.827 0.003 . 1 . . . . 39 LEU H . 19014 1 467 . 1 1 39 39 LEU HA H 1 3.963 0.005 . 1 . . . . 39 LEU HA . 19014 1 468 . 1 1 39 39 LEU HB2 H 1 1.851 0.010 . 2 . . . . 39 LEU HB2 . 19014 1 469 . 1 1 39 39 LEU HB3 H 1 0.830 0.008 . 2 . . . . 39 LEU HB3 . 19014 1 470 . 1 1 39 39 LEU HG H 1 1.838 0.008 . 1 . . . . 39 LEU HG . 19014 1 471 . 1 1 39 39 LEU HD11 H 1 0.142 0.003 . 2 . . . . 39 LEU HD11 . 19014 1 472 . 1 1 39 39 LEU HD12 H 1 0.142 0.003 . 2 . . . . 39 LEU HD12 . 19014 1 473 . 1 1 39 39 LEU HD13 H 1 0.142 0.003 . 2 . . . . 39 LEU HD13 . 19014 1 474 . 1 1 39 39 LEU HD21 H 1 0.742 0.004 . 2 . . . . 39 LEU HD21 . 19014 1 475 . 1 1 39 39 LEU HD22 H 1 0.742 0.004 . 2 . . . . 39 LEU HD22 . 19014 1 476 . 1 1 39 39 LEU HD23 H 1 0.742 0.004 . 2 . . . . 39 LEU HD23 . 19014 1 477 . 1 1 39 39 LEU C C 13 180.531 0.002 . 1 . . . . 39 LEU C . 19014 1 478 . 1 1 39 39 LEU CA C 13 57.736 0.025 . 1 . . . . 39 LEU CA . 19014 1 479 . 1 1 39 39 LEU CB C 13 40.438 0.025 . 1 . . . . 39 LEU CB . 19014 1 480 . 1 1 39 39 LEU CG C 13 26.193 0.020 . 1 . . . . 39 LEU CG . 19014 1 481 . 1 1 39 39 LEU CD1 C 13 21.432 0.009 . 2 . . . . 39 LEU CD1 . 19014 1 482 . 1 1 39 39 LEU CD2 C 13 27.791 0.009 . 2 . . . . 39 LEU CD2 . 19014 1 483 . 1 1 39 39 LEU N N 15 115.689 0.018 . 1 . . . . 39 LEU N . 19014 1 484 . 1 1 40 40 GLU H H 1 8.446 0.002 . 1 . . . . 40 GLU H . 19014 1 485 . 1 1 40 40 GLU HA H 1 4.338 0.004 . 1 . . . . 40 GLU HA . 19014 1 486 . 1 1 40 40 GLU HB2 H 1 2.174 0.004 . 1 . . . . 40 GLU HB2 . 19014 1 487 . 1 1 40 40 GLU HB3 H 1 2.174 0.004 . 1 . . . . 40 GLU HB3 . 19014 1 488 . 1 1 40 40 GLU HG2 H 1 2.438 0.005 . 2 . . . . 40 GLU HG2 . 19014 1 489 . 1 1 40 40 GLU HG3 H 1 2.176 0.004 . 2 . . . . 40 GLU HG3 . 19014 1 490 . 1 1 40 40 GLU C C 13 180.558 0.004 . 1 . . . . 40 GLU C . 19014 1 491 . 1 1 40 40 GLU CA C 13 59.406 0.016 . 1 . . . . 40 GLU CA . 19014 1 492 . 1 1 40 40 GLU CB C 13 29.086 0.024 . 1 . . . . 40 GLU CB . 19014 1 493 . 1 1 40 40 GLU CG C 13 36.366 0.020 . 1 . . . . 40 GLU CG . 19014 1 494 . 1 1 40 40 GLU N N 15 121.384 0.062 . 1 . . . . 40 GLU N . 19014 1 495 . 1 1 41 41 LYS H H 1 7.330 0.003 . 1 . . . . 41 LYS H . 19014 1 496 . 1 1 41 41 LYS HA H 1 4.106 0.006 . 1 . . . . 41 LYS HA . 19014 1 497 . 1 1 41 41 LYS HB2 H 1 1.555 0.007 . 2 . . . . 41 LYS HB2 . 19014 1 498 . 1 1 41 41 LYS HB3 H 1 1.947 0.008 . 2 . . . . 41 LYS HB3 . 19014 1 499 . 1 1 41 41 LYS HG2 H 1 1.634 0.005 . 2 . . . . 41 LYS HG2 . 19014 1 500 . 1 1 41 41 LYS HG3 H 1 1.438 0.006 . 2 . . . . 41 LYS HG3 . 19014 1 501 . 1 1 41 41 LYS HD2 H 1 1.708 0.003 . 2 . . . . 41 LYS HD2 . 19014 1 502 . 1 1 41 41 LYS HD3 H 1 1.631 0.004 . 2 . . . . 41 LYS HD3 . 19014 1 503 . 1 1 41 41 LYS HE2 H 1 3.172 0.001 . 2 . . . . 41 LYS HE2 . 19014 1 504 . 1 1 41 41 LYS HE3 H 1 3.089 0.002 . 2 . . . . 41 LYS HE3 . 19014 1 505 . 1 1 41 41 LYS C C 13 178.494 0.007 . 1 . . . . 41 LYS C . 19014 1 506 . 1 1 41 41 LYS CA C 13 57.491 0.034 . 1 . . . . 41 LYS CA . 19014 1 507 . 1 1 41 41 LYS CB C 13 31.428 0.043 . 1 . . . . 41 LYS CB . 19014 1 508 . 1 1 41 41 LYS CG C 13 24.637 0.037 . 1 . . . . 41 LYS CG . 19014 1 509 . 1 1 41 41 LYS CD C 13 27.882 0.031 . 1 . . . . 41 LYS CD . 19014 1 510 . 1 1 41 41 LYS CE C 13 41.918 0.014 . 1 . . . . 41 LYS CE . 19014 1 511 . 1 1 41 41 LYS N N 15 118.120 0.025 . 1 . . . . 41 LYS N . 19014 1 512 . 1 1 42 42 TYR H H 1 7.444 0.003 . 1 . . . . 42 TYR H . 19014 1 513 . 1 1 42 42 TYR HA H 1 4.420 0.004 . 1 . . . . 42 TYR HA . 19014 1 514 . 1 1 42 42 TYR HB2 H 1 3.183 0.004 . 2 . . . . 42 TYR HB2 . 19014 1 515 . 1 1 42 42 TYR HB3 H 1 2.548 0.006 . 2 . . . . 42 TYR HB3 . 19014 1 516 . 1 1 42 42 TYR HD1 H 1 6.923 0.004 . 3 . . . . 42 TYR HD1 . 19014 1 517 . 1 1 42 42 TYR HD2 H 1 6.923 0.004 . 3 . . . . 42 TYR HD2 . 19014 1 518 . 1 1 42 42 TYR HE1 H 1 6.615 0.003 . 3 . . . . 42 TYR HE1 . 19014 1 519 . 1 1 42 42 TYR HE2 H 1 6.615 0.003 . 3 . . . . 42 TYR HE2 . 19014 1 520 . 1 1 42 42 TYR C C 13 175.932 0.004 . 1 . . . . 42 TYR C . 19014 1 521 . 1 1 42 42 TYR CA C 13 59.774 0.047 . 1 . . . . 42 TYR CA . 19014 1 522 . 1 1 42 42 TYR CB C 13 40.465 0.038 . 1 . . . . 42 TYR CB . 19014 1 523 . 1 1 42 42 TYR CD1 C 13 132.113 0.032 . 3 . . . . 42 TYR CD1 . 19014 1 524 . 1 1 42 42 TYR CD2 C 13 132.113 0.032 . 3 . . . . 42 TYR CD2 . 19014 1 525 . 1 1 42 42 TYR CE1 C 13 117.765 0.017 . 3 . . . . 42 TYR CE1 . 19014 1 526 . 1 1 42 42 TYR CE2 C 13 117.765 0.017 . 3 . . . . 42 TYR CE2 . 19014 1 527 . 1 1 42 42 TYR N N 15 115.967 0.032 . 1 . . . . 42 TYR N . 19014 1 528 . 1 1 43 43 GLY H H 1 7.934 0.003 . 1 . . . . 43 GLY H . 19014 1 529 . 1 1 43 43 GLY HA2 H 1 4.138 0.009 . 2 . . . . 43 GLY HA2 . 19014 1 530 . 1 1 43 43 GLY HA3 H 1 4.277 0.014 . 2 . . . . 43 GLY HA3 . 19014 1 531 . 1 1 43 43 GLY C C 13 175.730 0.010 . 1 . . . . 43 GLY C . 19014 1 532 . 1 1 43 43 GLY CA C 13 46.490 0.019 . 1 . . . . 43 GLY CA . 19014 1 533 . 1 1 43 43 GLY N N 15 109.694 0.021 . 1 . . . . 43 GLY N . 19014 1 534 . 1 1 44 44 LEU H H 1 7.954 0.005 . 1 . . . . 44 LEU H . 19014 1 535 . 1 1 44 44 LEU HA H 1 4.548 0.007 . 1 . . . . 44 LEU HA . 19014 1 536 . 1 1 44 44 LEU HB2 H 1 1.726 0.005 . 2 . . . . 44 LEU HB2 . 19014 1 537 . 1 1 44 44 LEU HB3 H 1 1.171 0.004 . 2 . . . . 44 LEU HB3 . 19014 1 538 . 1 1 44 44 LEU HG H 1 1.387 0.004 . 1 . . . . 44 LEU HG . 19014 1 539 . 1 1 44 44 LEU HD11 H 1 0.467 0.003 . 2 . . . . 44 LEU HD11 . 19014 1 540 . 1 1 44 44 LEU HD12 H 1 0.467 0.003 . 2 . . . . 44 LEU HD12 . 19014 1 541 . 1 1 44 44 LEU HD13 H 1 0.467 0.003 . 2 . . . . 44 LEU HD13 . 19014 1 542 . 1 1 44 44 LEU HD21 H 1 0.875 0.003 . 2 . . . . 44 LEU HD21 . 19014 1 543 . 1 1 44 44 LEU HD22 H 1 0.875 0.003 . 2 . . . . 44 LEU HD22 . 19014 1 544 . 1 1 44 44 LEU HD23 H 1 0.875 0.003 . 2 . . . . 44 LEU HD23 . 19014 1 545 . 1 1 44 44 LEU C C 13 177.408 0.006 . 1 . . . . 44 LEU C . 19014 1 546 . 1 1 44 44 LEU CA C 13 53.777 0.021 . 1 . . . . 44 LEU CA . 19014 1 547 . 1 1 44 44 LEU CB C 13 44.829 0.014 . 1 . . . . 44 LEU CB . 19014 1 548 . 1 1 44 44 LEU CG C 13 26.194 0.071 . 1 . . . . 44 LEU CG . 19014 1 549 . 1 1 44 44 LEU CD1 C 13 25.407 0.013 . 2 . . . . 44 LEU CD1 . 19014 1 550 . 1 1 44 44 LEU CD2 C 13 22.433 0.028 . 2 . . . . 44 LEU CD2 . 19014 1 551 . 1 1 44 44 LEU N N 15 119.161 0.023 . 1 . . . . 44 LEU N . 19014 1 552 . 1 1 45 45 GLU H H 1 9.800 0.002 . 1 . . . . 45 GLU H . 19014 1 553 . 1 1 45 45 GLU HA H 1 3.796 0.005 . 1 . . . . 45 GLU HA . 19014 1 554 . 1 1 45 45 GLU HB2 H 1 1.938 0.005 . 2 . . . . 45 GLU HB2 . 19014 1 555 . 1 1 45 45 GLU HB3 H 1 1.879 0.007 . 2 . . . . 45 GLU HB3 . 19014 1 556 . 1 1 45 45 GLU HG2 H 1 1.975 0.005 . 2 . . . . 45 GLU HG2 . 19014 1 557 . 1 1 45 45 GLU HG3 H 1 2.298 0.005 . 2 . . . . 45 GLU HG3 . 19014 1 558 . 1 1 45 45 GLU C C 13 177.357 0.000 . 1 . . . . 45 GLU C . 19014 1 559 . 1 1 45 45 GLU CA C 13 59.868 0.010 . 1 . . . . 45 GLU CA . 19014 1 560 . 1 1 45 45 GLU CB C 13 28.092 0.014 . 1 . . . . 45 GLU CB . 19014 1 561 . 1 1 45 45 GLU CG C 13 35.187 0.011 . 1 . . . . 45 GLU CG . 19014 1 562 . 1 1 45 45 GLU N N 15 123.319 0.019 . 1 . . . . 45 GLU N . 19014 1 563 . 1 1 46 46 HIS HA H 1 4.632 0.008 . 1 . . . . 46 HIS HA . 19014 1 564 . 1 1 46 46 HIS HB2 H 1 3.145 0.004 . 2 . . . . 46 HIS HB2 . 19014 1 565 . 1 1 46 46 HIS HB3 H 1 3.238 0.002 . 2 . . . . 46 HIS HB3 . 19014 1 566 . 1 1 46 46 HIS HD2 H 1 7.118 0.003 . 1 . . . . 46 HIS HD2 . 19014 1 567 . 1 1 46 46 HIS HE1 H 1 7.977 0.000 . 1 . . . . 46 HIS HE1 . 19014 1 568 . 1 1 46 46 HIS C C 13 176.142 0.003 . 1 . . . . 46 HIS C . 19014 1 569 . 1 1 46 46 HIS CA C 13 57.208 0.019 . 1 . . . . 46 HIS CA . 19014 1 570 . 1 1 46 46 HIS CB C 13 29.494 0.015 . 1 . . . . 46 HIS CB . 19014 1 571 . 1 1 46 46 HIS CD2 C 13 119.264 0.000 . 1 . . . . 46 HIS CD2 . 19014 1 572 . 1 1 46 46 HIS CE1 C 13 138.684 0.000 . 1 . . . . 46 HIS CE1 . 19014 1 573 . 1 1 47 47 SER H H 1 7.948 0.003 . 1 . . . . 47 SER H . 19014 1 574 . 1 1 47 47 SER HA H 1 4.884 0.008 . 1 . . . . 47 SER HA . 19014 1 575 . 1 1 47 47 SER HB2 H 1 4.240 0.006 . 2 . . . . 47 SER HB2 . 19014 1 576 . 1 1 47 47 SER HB3 H 1 3.854 0.009 . 2 . . . . 47 SER HB3 . 19014 1 577 . 1 1 47 47 SER C C 13 174.228 0.004 . 1 . . . . 47 SER C . 19014 1 578 . 1 1 47 47 SER CA C 13 56.999 0.016 . 1 . . . . 47 SER CA . 19014 1 579 . 1 1 47 47 SER CB C 13 63.999 0.050 . 1 . . . . 47 SER CB . 19014 1 580 . 1 1 47 47 SER N N 15 116.927 0.023 . 1 . . . . 47 SER N . 19014 1 581 . 1 1 48 48 LYS H H 1 7.287 0.003 . 1 . . . . 48 LYS H . 19014 1 582 . 1 1 48 48 LYS HA H 1 3.931 0.005 . 1 . . . . 48 LYS HA . 19014 1 583 . 1 1 48 48 LYS HB2 H 1 1.898 0.007 . 1 . . . . 48 LYS HB2 . 19014 1 584 . 1 1 48 48 LYS HB3 H 1 1.898 0.007 . 1 . . . . 48 LYS HB3 . 19014 1 585 . 1 1 48 48 LYS HG2 H 1 1.554 0.011 . 2 . . . . 48 LYS HG2 . 19014 1 586 . 1 1 48 48 LYS HG3 H 1 1.399 0.006 . 2 . . . . 48 LYS HG3 . 19014 1 587 . 1 1 48 48 LYS HD2 H 1 1.646 0.009 . 1 . . . . 48 LYS HD2 . 19014 1 588 . 1 1 48 48 LYS HD3 H 1 1.646 0.009 . 1 . . . . 48 LYS HD3 . 19014 1 589 . 1 1 48 48 LYS HE2 H 1 3.014 0.002 . 2 . . . . 48 LYS HE2 . 19014 1 590 . 1 1 48 48 LYS HE3 H 1 2.977 0.010 . 2 . . . . 48 LYS HE3 . 19014 1 591 . 1 1 48 48 LYS C C 13 176.421 0.002 . 1 . . . . 48 LYS C . 19014 1 592 . 1 1 48 48 LYS CA C 13 60.035 0.019 . 1 . . . . 48 LYS CA . 19014 1 593 . 1 1 48 48 LYS CB C 13 32.351 0.051 . 1 . . . . 48 LYS CB . 19014 1 594 . 1 1 48 48 LYS CG C 13 24.125 0.026 . 1 . . . . 48 LYS CG . 19014 1 595 . 1 1 48 48 LYS CD C 13 29.027 0.055 . 1 . . . . 48 LYS CD . 19014 1 596 . 1 1 48 48 LYS CE C 13 41.227 0.046 . 1 . . . . 48 LYS CE . 19014 1 597 . 1 1 48 48 LYS N N 15 120.486 0.019 . 1 . . . . 48 LYS N . 19014 1 598 . 1 1 49 49 ASP H H 1 8.451 0.002 . 1 . . . . 49 ASP H . 19014 1 599 . 1 1 49 49 ASP HA H 1 4.536 0.009 . 1 . . . . 49 ASP HA . 19014 1 600 . 1 1 49 49 ASP HB2 H 1 2.533 0.010 . 2 . . . . 49 ASP HB2 . 19014 1 601 . 1 1 49 49 ASP HB3 H 1 2.721 0.007 . 2 . . . . 49 ASP HB3 . 19014 1 602 . 1 1 49 49 ASP C C 13 176.336 0.015 . 1 . . . . 49 ASP C . 19014 1 603 . 1 1 49 49 ASP CA C 13 56.150 0.011 . 1 . . . . 49 ASP CA . 19014 1 604 . 1 1 49 49 ASP CB C 13 40.601 0.020 . 1 . . . . 49 ASP CB . 19014 1 605 . 1 1 49 49 ASP N N 15 115.052 0.024 . 1 . . . . 49 ASP N . 19014 1 606 . 1 1 50 50 ASP H H 1 8.154 0.002 . 1 . . . . 50 ASP H . 19014 1 607 . 1 1 50 50 ASP HA H 1 4.538 0.006 . 1 . . . . 50 ASP HA . 19014 1 608 . 1 1 50 50 ASP HB2 H 1 2.166 0.008 . 2 . . . . 50 ASP HB2 . 19014 1 609 . 1 1 50 50 ASP HB3 H 1 2.239 0.003 . 2 . . . . 50 ASP HB3 . 19014 1 610 . 1 1 50 50 ASP C C 13 175.738 0.001 . 1 . . . . 50 ASP C . 19014 1 611 . 1 1 50 50 ASP CA C 13 54.797 0.017 . 1 . . . . 50 ASP CA . 19014 1 612 . 1 1 50 50 ASP CB C 13 40.847 0.017 . 1 . . . . 50 ASP CB . 19014 1 613 . 1 1 50 50 ASP N N 15 117.918 0.017 . 1 . . . . 50 ASP N . 19014 1 614 . 1 1 51 51 PHE H H 1 7.807 0.002 . 1 . . . . 51 PHE H . 19014 1 615 . 1 1 51 51 PHE HA H 1 5.401 0.004 . 1 . . . . 51 PHE HA . 19014 1 616 . 1 1 51 51 PHE HB2 H 1 2.682 0.004 . 2 . . . . 51 PHE HB2 . 19014 1 617 . 1 1 51 51 PHE HB3 H 1 3.186 0.006 . 2 . . . . 51 PHE HB3 . 19014 1 618 . 1 1 51 51 PHE HD1 H 1 7.036 0.003 . 3 . . . . 51 PHE HD1 . 19014 1 619 . 1 1 51 51 PHE HD2 H 1 7.036 0.003 . 3 . . . . 51 PHE HD2 . 19014 1 620 . 1 1 51 51 PHE HE1 H 1 7.129 0.005 . 3 . . . . 51 PHE HE1 . 19014 1 621 . 1 1 51 51 PHE HE2 H 1 7.129 0.005 . 3 . . . . 51 PHE HE2 . 19014 1 622 . 1 1 51 51 PHE HZ H 1 7.211 0.004 . 1 . . . . 51 PHE HZ . 19014 1 623 . 1 1 51 51 PHE C C 13 172.954 0.006 . 1 . . . . 51 PHE C . 19014 1 624 . 1 1 51 51 PHE CA C 13 57.203 0.012 . 1 . . . . 51 PHE CA . 19014 1 625 . 1 1 51 51 PHE CB C 13 44.349 0.011 . 1 . . . . 51 PHE CB . 19014 1 626 . 1 1 51 51 PHE CD1 C 13 132.664 0.026 . 3 . . . . 51 PHE CD1 . 19014 1 627 . 1 1 51 51 PHE CD2 C 13 132.664 0.026 . 3 . . . . 51 PHE CD2 . 19014 1 628 . 1 1 51 51 PHE CE1 C 13 130.971 0.057 . 3 . . . . 51 PHE CE1 . 19014 1 629 . 1 1 51 51 PHE CE2 C 13 130.971 0.057 . 3 . . . . 51 PHE CE2 . 19014 1 630 . 1 1 51 51 PHE CZ C 13 129.584 0.041 . 1 . . . . 51 PHE CZ . 19014 1 631 . 1 1 51 51 PHE N N 15 118.260 0.016 . 1 . . . . 51 PHE N . 19014 1 632 . 1 1 52 52 ILE H H 1 9.156 0.004 . 1 . . . . 52 ILE H . 19014 1 633 . 1 1 52 52 ILE HA H 1 4.564 0.006 . 1 . . . . 52 ILE HA . 19014 1 634 . 1 1 52 52 ILE HB H 1 1.806 0.007 . 1 . . . . 52 ILE HB . 19014 1 635 . 1 1 52 52 ILE HG12 H 1 0.811 0.004 . 2 . . . . 52 ILE HG12 . 19014 1 636 . 1 1 52 52 ILE HG13 H 1 1.290 0.006 . 2 . . . . 52 ILE HG13 . 19014 1 637 . 1 1 52 52 ILE HG21 H 1 0.894 0.005 . 1 . . . . 52 ILE HG21 . 19014 1 638 . 1 1 52 52 ILE HG22 H 1 0.894 0.005 . 1 . . . . 52 ILE HG22 . 19014 1 639 . 1 1 52 52 ILE HG23 H 1 0.894 0.005 . 1 . . . . 52 ILE HG23 . 19014 1 640 . 1 1 52 52 ILE HD11 H 1 0.739 0.005 . 1 . . . . 52 ILE HD11 . 19014 1 641 . 1 1 52 52 ILE HD12 H 1 0.739 0.005 . 1 . . . . 52 ILE HD12 . 19014 1 642 . 1 1 52 52 ILE HD13 H 1 0.739 0.005 . 1 . . . . 52 ILE HD13 . 19014 1 643 . 1 1 52 52 ILE C C 13 173.149 0.032 . 1 . . . . 52 ILE C . 19014 1 644 . 1 1 52 52 ILE CA C 13 59.823 0.009 . 1 . . . . 52 ILE CA . 19014 1 645 . 1 1 52 52 ILE CB C 13 42.725 0.030 . 1 . . . . 52 ILE CB . 19014 1 646 . 1 1 52 52 ILE CG1 C 13 26.374 0.033 . 1 . . . . 52 ILE CG1 . 19014 1 647 . 1 1 52 52 ILE CG2 C 13 18.348 0.013 . 1 . . . . 52 ILE CG2 . 19014 1 648 . 1 1 52 52 ILE CD1 C 13 14.215 0.011 . 1 . . . . 52 ILE CD1 . 19014 1 649 . 1 1 52 52 ILE N N 15 113.490 0.018 . 1 . . . . 52 ILE N . 19014 1 650 . 1 1 53 53 LEU H H 1 9.130 0.004 . 1 . . . . 53 LEU H . 19014 1 651 . 1 1 53 53 LEU HA H 1 5.169 0.006 . 1 . . . . 53 LEU HA . 19014 1 652 . 1 1 53 53 LEU HB2 H 1 1.875 0.007 . 2 . . . . 53 LEU HB2 . 19014 1 653 . 1 1 53 53 LEU HB3 H 1 1.376 0.007 . 2 . . . . 53 LEU HB3 . 19014 1 654 . 1 1 53 53 LEU HG H 1 1.696 0.008 . 1 . . . . 53 LEU HG . 19014 1 655 . 1 1 53 53 LEU HD11 H 1 0.849 0.004 . 2 . . . . 53 LEU HD11 . 19014 1 656 . 1 1 53 53 LEU HD12 H 1 0.849 0.004 . 2 . . . . 53 LEU HD12 . 19014 1 657 . 1 1 53 53 LEU HD13 H 1 0.849 0.004 . 2 . . . . 53 LEU HD13 . 19014 1 658 . 1 1 53 53 LEU HD21 H 1 0.906 0.004 . 2 . . . . 53 LEU HD21 . 19014 1 659 . 1 1 53 53 LEU HD22 H 1 0.906 0.004 . 2 . . . . 53 LEU HD22 . 19014 1 660 . 1 1 53 53 LEU HD23 H 1 0.906 0.004 . 2 . . . . 53 LEU HD23 . 19014 1 661 . 1 1 53 53 LEU C C 13 175.492 0.001 . 1 . . . . 53 LEU C . 19014 1 662 . 1 1 53 53 LEU CA C 13 52.736 0.026 . 1 . . . . 53 LEU CA . 19014 1 663 . 1 1 53 53 LEU CB C 13 45.652 0.013 . 1 . . . . 53 LEU CB . 19014 1 664 . 1 1 53 53 LEU CG C 13 26.836 0.039 . 1 . . . . 53 LEU CG . 19014 1 665 . 1 1 53 53 LEU CD1 C 13 24.272 0.021 . 2 . . . . 53 LEU CD1 . 19014 1 666 . 1 1 53 53 LEU CD2 C 13 26.561 0.026 . 2 . . . . 53 LEU CD2 . 19014 1 667 . 1 1 53 53 LEU N N 15 124.813 0.014 . 1 . . . . 53 LEU N . 19014 1 668 . 1 1 54 54 VAL H H 1 9.166 0.005 . 1 . . . . 54 VAL H . 19014 1 669 . 1 1 54 54 VAL HA H 1 5.171 0.006 . 1 . . . . 54 VAL HA . 19014 1 670 . 1 1 54 54 VAL HB H 1 1.488 0.004 . 1 . . . . 54 VAL HB . 19014 1 671 . 1 1 54 54 VAL HG11 H 1 0.595 0.004 . 2 . . . . 54 VAL HG11 . 19014 1 672 . 1 1 54 54 VAL HG12 H 1 0.595 0.004 . 2 . . . . 54 VAL HG12 . 19014 1 673 . 1 1 54 54 VAL HG13 H 1 0.595 0.004 . 2 . . . . 54 VAL HG13 . 19014 1 674 . 1 1 54 54 VAL HG21 H 1 0.583 0.006 . 2 . . . . 54 VAL HG21 . 19014 1 675 . 1 1 54 54 VAL HG22 H 1 0.583 0.006 . 2 . . . . 54 VAL HG22 . 19014 1 676 . 1 1 54 54 VAL HG23 H 1 0.583 0.006 . 2 . . . . 54 VAL HG23 . 19014 1 677 . 1 1 54 54 VAL C C 13 174.408 0.005 . 1 . . . . 54 VAL C . 19014 1 678 . 1 1 54 54 VAL CA C 13 58.453 0.010 . 1 . . . . 54 VAL CA . 19014 1 679 . 1 1 54 54 VAL CB C 13 35.471 0.014 . 1 . . . . 54 VAL CB . 19014 1 680 . 1 1 54 54 VAL CG1 C 13 20.554 0.006 . 2 . . . . 54 VAL CG1 . 19014 1 681 . 1 1 54 54 VAL CG2 C 13 21.236 0.008 . 2 . . . . 54 VAL CG2 . 19014 1 682 . 1 1 54 54 VAL N N 15 118.453 0.016 . 1 . . . . 54 VAL N . 19014 1 683 . 1 1 55 55 GLU H H 1 8.784 0.004 . 1 . . . . 55 GLU H . 19014 1 684 . 1 1 55 55 GLU HA H 1 4.749 0.006 . 1 . . . . 55 GLU HA . 19014 1 685 . 1 1 55 55 GLU HB2 H 1 2.074 0.006 . 2 . . . . 55 GLU HB2 . 19014 1 686 . 1 1 55 55 GLU HB3 H 1 1.723 0.009 . 2 . . . . 55 GLU HB3 . 19014 1 687 . 1 1 55 55 GLU HG2 H 1 1.873 0.010 . 2 . . . . 55 GLU HG2 . 19014 1 688 . 1 1 55 55 GLU HG3 H 1 2.065 0.006 . 2 . . . . 55 GLU HG3 . 19014 1 689 . 1 1 55 55 GLU C C 13 175.575 0.006 . 1 . . . . 55 GLU C . 19014 1 690 . 1 1 55 55 GLU CA C 13 54.636 0.026 . 1 . . . . 55 GLU CA . 19014 1 691 . 1 1 55 55 GLU CB C 13 30.808 0.045 . 1 . . . . 55 GLU CB . 19014 1 692 . 1 1 55 55 GLU CG C 13 36.216 0.019 . 1 . . . . 55 GLU CG . 19014 1 693 . 1 1 55 55 GLU N N 15 123.168 0.019 . 1 . . . . 55 GLU N . 19014 1 694 . 1 1 56 56 VAL H H 1 9.280 0.004 . 1 . . . . 56 VAL H . 19014 1 695 . 1 1 56 56 VAL HA H 1 4.040 0.007 . 1 . . . . 56 VAL HA . 19014 1 696 . 1 1 56 56 VAL HB H 1 0.459 0.001 . 1 . . . . 56 VAL HB . 19014 1 697 . 1 1 56 56 VAL HG11 H 1 0.418 0.007 . 2 . . . . 56 VAL HG11 . 19014 1 698 . 1 1 56 56 VAL HG12 H 1 0.418 0.007 . 2 . . . . 56 VAL HG12 . 19014 1 699 . 1 1 56 56 VAL HG13 H 1 0.418 0.007 . 2 . . . . 56 VAL HG13 . 19014 1 700 . 1 1 56 56 VAL HG21 H 1 0.737 0.004 . 2 . . . . 56 VAL HG21 . 19014 1 701 . 1 1 56 56 VAL HG22 H 1 0.737 0.004 . 2 . . . . 56 VAL HG22 . 19014 1 702 . 1 1 56 56 VAL HG23 H 1 0.737 0.004 . 2 . . . . 56 VAL HG23 . 19014 1 703 . 1 1 56 56 VAL C C 13 174.806 0.006 . 1 . . . . 56 VAL C . 19014 1 704 . 1 1 56 56 VAL CA C 13 61.102 0.018 . 1 . . . . 56 VAL CA . 19014 1 705 . 1 1 56 56 VAL CB C 13 32.232 0.009 . 1 . . . . 56 VAL CB . 19014 1 706 . 1 1 56 56 VAL CG1 C 13 21.962 0.009 . 2 . . . . 56 VAL CG1 . 19014 1 707 . 1 1 56 56 VAL CG2 C 13 21.953 0.017 . 2 . . . . 56 VAL CG2 . 19014 1 708 . 1 1 56 56 VAL N N 15 132.004 0.025 . 1 . . . . 56 VAL N . 19014 1 709 . 1 1 57 57 SER H H 1 8.688 0.004 . 1 . . . . 57 SER H . 19014 1 710 . 1 1 57 57 SER HA H 1 4.367 0.008 . 1 . . . . 57 SER HA . 19014 1 711 . 1 1 57 57 SER HB2 H 1 3.853 0.011 . 1 . . . . 57 SER HB2 . 19014 1 712 . 1 1 57 57 SER HB3 H 1 3.853 0.011 . 1 . . . . 57 SER HB3 . 19014 1 713 . 1 1 57 57 SER C C 13 174.738 0.032 . 1 . . . . 57 SER C . 19014 1 714 . 1 1 57 57 SER CA C 13 58.722 0.013 . 1 . . . . 57 SER CA . 19014 1 715 . 1 1 57 57 SER CB C 13 63.778 0.020 . 1 . . . . 57 SER CB . 19014 1 716 . 1 1 57 57 SER N N 15 120.944 0.075 . 1 . . . . 57 SER N . 19014 1 717 . 1 1 58 58 ASN H H 1 8.540 0.004 . 1 . . . . 58 ASN H . 19014 1 718 . 1 1 58 58 ASN HA H 1 4.808 0.005 . 1 . . . . 58 ASN HA . 19014 1 719 . 1 1 58 58 ASN HB2 H 1 2.868 0.008 . 2 . . . . 58 ASN HB2 . 19014 1 720 . 1 1 58 58 ASN HB3 H 1 2.667 0.009 . 2 . . . . 58 ASN HB3 . 19014 1 721 . 1 1 58 58 ASN HD21 H 1 6.752 0.004 . 1 . . . . 58 ASN HD21 . 19014 1 722 . 1 1 58 58 ASN HD22 H 1 7.598 0.001 . 1 . . . . 58 ASN HD22 . 19014 1 723 . 1 1 58 58 ASN C C 13 175.400 0.002 . 1 . . . . 58 ASN C . 19014 1 724 . 1 1 58 58 ASN CA C 13 53.586 0.028 . 1 . . . . 58 ASN CA . 19014 1 725 . 1 1 58 58 ASN CB C 13 38.692 0.017 . 1 . . . . 58 ASN CB . 19014 1 726 . 1 1 58 58 ASN N N 15 123.503 0.026 . 1 . . . . 58 ASN N . 19014 1 727 . 1 1 58 58 ASN ND2 N 15 110.978 0.117 . 1 . . . . 58 ASN ND2 . 19014 1 728 . 1 1 59 59 ASP H H 1 8.312 0.004 . 1 . . . . 59 ASP H . 19014 1 729 . 1 1 59 59 ASP HA H 1 4.553 0.004 . 1 . . . . 59 ASP HA . 19014 1 730 . 1 1 59 59 ASP HB2 H 1 2.649 0.013 . 1 . . . . 59 ASP HB2 . 19014 1 731 . 1 1 59 59 ASP HB3 H 1 2.649 0.013 . 1 . . . . 59 ASP HB3 . 19014 1 732 . 1 1 59 59 ASP C C 13 176.340 0.010 . 1 . . . . 59 ASP C . 19014 1 733 . 1 1 59 59 ASP CA C 13 54.529 0.012 . 1 . . . . 59 ASP CA . 19014 1 734 . 1 1 59 59 ASP CB C 13 41.290 0.017 . 1 . . . . 59 ASP CB . 19014 1 735 . 1 1 59 59 ASP N N 15 120.667 0.019 . 1 . . . . 59 ASP N . 19014 1 736 . 1 1 60 60 ASP H H 1 8.260 0.003 . 1 . . . . 60 ASP H . 19014 1 737 . 1 1 60 60 ASP HA H 1 4.515 0.010 . 1 . . . . 60 ASP HA . 19014 1 738 . 1 1 60 60 ASP HB2 H 1 2.655 0.006 . 2 . . . . 60 ASP HB2 . 19014 1 739 . 1 1 60 60 ASP HB3 H 1 2.713 0.002 . 2 . . . . 60 ASP HB3 . 19014 1 740 . 1 1 60 60 ASP C C 13 176.567 0.024 . 1 . . . . 60 ASP C . 19014 1 741 . 1 1 60 60 ASP CA C 13 55.111 0.016 . 1 . . . . 60 ASP CA . 19014 1 742 . 1 1 60 60 ASP CB C 13 41.023 0.050 . 1 . . . . 60 ASP CB . 19014 1 743 . 1 1 60 60 ASP N N 15 120.557 0.022 . 1 . . . . 60 ASP N . 19014 1 744 . 1 1 61 61 ASP H H 1 8.323 0.002 . 1 . . . . 61 ASP H . 19014 1 745 . 1 1 61 61 ASP HA H 1 4.511 0.008 . 1 . . . . 61 ASP HA . 19014 1 746 . 1 1 61 61 ASP HB2 H 1 2.691 0.011 . 1 . . . . 61 ASP HB2 . 19014 1 747 . 1 1 61 61 ASP HB3 H 1 2.691 0.011 . 1 . . . . 61 ASP HB3 . 19014 1 748 . 1 1 61 61 ASP C C 13 176.742 0.026 . 1 . . . . 61 ASP C . 19014 1 749 . 1 1 61 61 ASP CA C 13 55.112 0.007 . 1 . . . . 61 ASP CA . 19014 1 750 . 1 1 61 61 ASP CB C 13 40.826 0.017 . 1 . . . . 61 ASP CB . 19014 1 751 . 1 1 61 61 ASP N N 15 120.164 0.063 . 1 . . . . 61 ASP N . 19014 1 752 . 1 1 62 62 ARG H H 1 8.098 0.003 . 1 . . . . 62 ARG H . 19014 1 753 . 1 1 62 62 ARG HA H 1 4.221 0.007 . 1 . . . . 62 ARG HA . 19014 1 754 . 1 1 62 62 ARG HB2 H 1 1.832 0.004 . 2 . . . . 62 ARG HB2 . 19014 1 755 . 1 1 62 62 ARG HB3 H 1 1.904 0.003 . 2 . . . . 62 ARG HB3 . 19014 1 756 . 1 1 62 62 ARG HG2 H 1 1.659 0.005 . 2 . . . . 62 ARG HG2 . 19014 1 757 . 1 1 62 62 ARG HG3 H 1 1.621 0.009 . 2 . . . . 62 ARG HG3 . 19014 1 758 . 1 1 62 62 ARG HD2 H 1 3.178 0.005 . 1 . . . . 62 ARG HD2 . 19014 1 759 . 1 1 62 62 ARG HD3 H 1 3.178 0.005 . 1 . . . . 62 ARG HD3 . 19014 1 760 . 1 1 62 62 ARG HE H 1 7.416 0.002 . 1 . . . . 62 ARG HE . 19014 1 761 . 1 1 62 62 ARG C C 13 177.171 0.005 . 1 . . . . 62 ARG C . 19014 1 762 . 1 1 62 62 ARG CA C 13 56.805 0.008 . 1 . . . . 62 ARG CA . 19014 1 763 . 1 1 62 62 ARG CB C 13 30.072 0.015 . 1 . . . . 62 ARG CB . 19014 1 764 . 1 1 62 62 ARG CG C 13 27.233 0.020 . 1 . . . . 62 ARG CG . 19014 1 765 . 1 1 62 62 ARG CD C 13 43.233 0.017 . 1 . . . . 62 ARG CD . 19014 1 766 . 1 1 62 62 ARG N N 15 119.810 0.021 . 1 . . . . 62 ARG N . 19014 1 767 . 1 1 62 62 ARG NE N 15 84.889 0.017 . 1 . . . . 62 ARG NE . 19014 1 768 . 1 1 63 63 LYS H H 1 8.200 0.003 . 1 . . . . 63 LYS H . 19014 1 769 . 1 1 63 63 LYS HA H 1 4.240 0.005 . 1 . . . . 63 LYS HA . 19014 1 770 . 1 1 63 63 LYS HB2 H 1 1.811 0.007 . 1 . . . . 63 LYS HB2 . 19014 1 771 . 1 1 63 63 LYS HB3 H 1 1.811 0.007 . 1 . . . . 63 LYS HB3 . 19014 1 772 . 1 1 63 63 LYS HG2 H 1 1.435 0.008 . 2 . . . . 63 LYS HG2 . 19014 1 773 . 1 1 63 63 LYS HG3 H 1 1.395 0.005 . 2 . . . . 63 LYS HG3 . 19014 1 774 . 1 1 63 63 LYS HD2 H 1 1.820 0.004 . 1 . . . . 63 LYS HD2 . 19014 1 775 . 1 1 63 63 LYS HD3 H 1 1.820 0.004 . 1 . . . . 63 LYS HD3 . 19014 1 776 . 1 1 63 63 LYS HE2 H 1 2.968 0.003 . 1 . . . . 63 LYS HE2 . 19014 1 777 . 1 1 63 63 LYS HE3 H 1 2.968 0.003 . 1 . . . . 63 LYS HE3 . 19014 1 778 . 1 1 63 63 LYS C C 13 176.970 0.012 . 1 . . . . 63 LYS C . 19014 1 779 . 1 1 63 63 LYS CA C 13 56.835 0.050 . 1 . . . . 63 LYS CA . 19014 1 780 . 1 1 63 63 LYS CB C 13 32.786 0.013 . 1 . . . . 63 LYS CB . 19014 1 781 . 1 1 63 63 LYS CG C 13 24.906 0.038 . 1 . . . . 63 LYS CG . 19014 1 782 . 1 1 63 63 LYS CD C 13 29.192 0.014 . 1 . . . . 63 LYS CD . 19014 1 783 . 1 1 63 63 LYS CE C 13 41.890 0.029 . 1 . . . . 63 LYS CE . 19014 1 784 . 1 1 63 63 LYS N N 15 120.590 0.021 . 1 . . . . 63 LYS N . 19014 1 785 . 1 1 64 64 SER H H 1 8.257 0.003 . 1 . . . . 64 SER H . 19014 1 786 . 1 1 64 64 SER HA H 1 4.438 0.006 . 1 . . . . 64 SER HA . 19014 1 787 . 1 1 64 64 SER HB2 H 1 3.913 0.000 . 2 . . . . 64 SER HB2 . 19014 1 788 . 1 1 64 64 SER HB3 H 1 3.831 0.007 . 2 . . . . 64 SER HB3 . 19014 1 789 . 1 1 64 64 SER C C 13 175.164 0.000 . 1 . . . . 64 SER C . 19014 1 790 . 1 1 64 64 SER CA C 13 58.121 0.010 . 1 . . . . 64 SER CA . 19014 1 791 . 1 1 64 64 SER CB C 13 63.787 0.029 . 1 . . . . 64 SER CB . 19014 1 792 . 1 1 64 64 SER N N 15 115.400 0.027 . 1 . . . . 64 SER N . 19014 1 793 . 1 1 65 65 MET HA H 1 4.336 0.008 . 1 . . . . 65 MET HA . 19014 1 794 . 1 1 65 65 MET HB2 H 1 2.018 0.003 . 2 . . . . 65 MET HB2 . 19014 1 795 . 1 1 65 65 MET HB3 H 1 1.922 0.004 . 2 . . . . 65 MET HB3 . 19014 1 796 . 1 1 65 65 MET HG2 H 1 2.463 0.010 . 2 . . . . 65 MET HG2 . 19014 1 797 . 1 1 65 65 MET HG3 H 1 2.345 0.006 . 2 . . . . 65 MET HG3 . 19014 1 798 . 1 1 65 65 MET HE1 H 1 1.877 0.002 . 1 . . . . 65 MET HE1 . 19014 1 799 . 1 1 65 65 MET HE2 H 1 1.877 0.002 . 1 . . . . 65 MET HE2 . 19014 1 800 . 1 1 65 65 MET HE3 H 1 1.877 0.002 . 1 . . . . 65 MET HE3 . 19014 1 801 . 1 1 65 65 MET C C 13 176.496 0.002 . 1 . . . . 65 MET C . 19014 1 802 . 1 1 65 65 MET CA C 13 56.211 0.011 . 1 . . . . 65 MET CA . 19014 1 803 . 1 1 65 65 MET CB C 13 32.127 0.021 . 1 . . . . 65 MET CB . 19014 1 804 . 1 1 65 65 MET CG C 13 32.247 0.078 . 1 . . . . 65 MET CG . 19014 1 805 . 1 1 65 65 MET CE C 13 16.983 0.006 . 1 . . . . 65 MET CE . 19014 1 806 . 1 1 66 66 SER H H 1 8.121 0.002 . 1 . . . . 66 SER H . 19014 1 807 . 1 1 66 66 SER HA H 1 4.407 0.006 . 1 . . . . 66 SER HA . 19014 1 808 . 1 1 66 66 SER HB2 H 1 3.916 0.011 . 2 . . . . 66 SER HB2 . 19014 1 809 . 1 1 66 66 SER HB3 H 1 3.846 0.014 . 2 . . . . 66 SER HB3 . 19014 1 810 . 1 1 66 66 SER C C 13 174.232 0.004 . 1 . . . . 66 SER C . 19014 1 811 . 1 1 66 66 SER CA C 13 58.967 0.017 . 1 . . . . 66 SER CA . 19014 1 812 . 1 1 66 66 SER CB C 13 63.674 0.008 . 1 . . . . 66 SER CB . 19014 1 813 . 1 1 66 66 SER N N 15 114.148 0.023 . 1 . . . . 66 SER N . 19014 1 814 . 1 1 67 67 ASP H H 1 8.019 0.003 . 1 . . . . 67 ASP H . 19014 1 815 . 1 1 67 67 ASP HA H 1 4.639 0.007 . 1 . . . . 67 ASP HA . 19014 1 816 . 1 1 67 67 ASP HB2 H 1 2.637 0.006 . 2 . . . . 67 ASP HB2 . 19014 1 817 . 1 1 67 67 ASP HB3 H 1 2.751 0.008 . 2 . . . . 67 ASP HB3 . 19014 1 818 . 1 1 67 67 ASP C C 13 175.926 0.005 . 1 . . . . 67 ASP C . 19014 1 819 . 1 1 67 67 ASP CA C 13 54.352 0.011 . 1 . . . . 67 ASP CA . 19014 1 820 . 1 1 67 67 ASP CB C 13 41.309 0.004 . 1 . . . . 67 ASP CB . 19014 1 821 . 1 1 67 67 ASP N N 15 121.120 0.010 . 1 . . . . 67 ASP N . 19014 1 822 . 1 1 68 68 LEU H H 1 8.094 0.002 . 1 . . . . 68 LEU H . 19014 1 823 . 1 1 68 68 LEU HA H 1 4.331 0.006 . 1 . . . . 68 LEU HA . 19014 1 824 . 1 1 68 68 LEU HB2 H 1 1.662 0.004 . 2 . . . . 68 LEU HB2 . 19014 1 825 . 1 1 68 68 LEU HB3 H 1 1.534 0.003 . 2 . . . . 68 LEU HB3 . 19014 1 826 . 1 1 68 68 LEU HG H 1 1.603 0.003 . 1 . . . . 68 LEU HG . 19014 1 827 . 1 1 68 68 LEU HD11 H 1 0.846 0.005 . 2 . . . . 68 LEU HD11 . 19014 1 828 . 1 1 68 68 LEU HD12 H 1 0.846 0.005 . 2 . . . . 68 LEU HD12 . 19014 1 829 . 1 1 68 68 LEU HD13 H 1 0.846 0.005 . 2 . . . . 68 LEU HD13 . 19014 1 830 . 1 1 68 68 LEU HD21 H 1 0.843 0.007 . 2 . . . . 68 LEU HD21 . 19014 1 831 . 1 1 68 68 LEU HD22 H 1 0.843 0.007 . 2 . . . . 68 LEU HD22 . 19014 1 832 . 1 1 68 68 LEU HD23 H 1 0.843 0.007 . 2 . . . . 68 LEU HD23 . 19014 1 833 . 1 1 68 68 LEU C C 13 176.991 0.008 . 1 . . . . 68 LEU C . 19014 1 834 . 1 1 68 68 LEU CA C 13 55.114 0.018 . 1 . . . . 68 LEU CA . 19014 1 835 . 1 1 68 68 LEU CB C 13 41.702 0.010 . 1 . . . . 68 LEU CB . 19014 1 836 . 1 1 68 68 LEU CG C 13 26.994 0.013 . 1 . . . . 68 LEU CG . 19014 1 837 . 1 1 68 68 LEU CD1 C 13 25.233 0.018 . 2 . . . . 68 LEU CD1 . 19014 1 838 . 1 1 68 68 LEU CD2 C 13 23.534 0.015 . 2 . . . . 68 LEU CD2 . 19014 1 839 . 1 1 68 68 LEU N N 15 121.662 0.035 . 1 . . . . 68 LEU N . 19014 1 840 . 1 1 69 69 ARG H H 1 8.167 0.003 . 1 . . . . 69 ARG H . 19014 1 841 . 1 1 69 69 ARG HA H 1 4.349 0.005 . 1 . . . . 69 ARG HA . 19014 1 842 . 1 1 69 69 ARG HB2 H 1 1.788 0.007 . 2 . . . . 69 ARG HB2 . 19014 1 843 . 1 1 69 69 ARG HB3 H 1 1.856 0.005 . 2 . . . . 69 ARG HB3 . 19014 1 844 . 1 1 69 69 ARG HG2 H 1 1.590 0.006 . 1 . . . . 69 ARG HG2 . 19014 1 845 . 1 1 69 69 ARG HG3 H 1 1.590 0.006 . 1 . . . . 69 ARG HG3 . 19014 1 846 . 1 1 69 69 ARG HD2 H 1 3.139 0.007 . 1 . . . . 69 ARG HD2 . 19014 1 847 . 1 1 69 69 ARG HD3 H 1 3.139 0.007 . 1 . . . . 69 ARG HD3 . 19014 1 848 . 1 1 69 69 ARG HE H 1 7.462 0.002 . 1 . . . . 69 ARG HE . 19014 1 849 . 1 1 69 69 ARG C C 13 175.989 0.001 . 1 . . . . 69 ARG C . 19014 1 850 . 1 1 69 69 ARG CA C 13 56.089 0.010 . 1 . . . . 69 ARG CA . 19014 1 851 . 1 1 69 69 ARG CB C 13 31.170 0.007 . 1 . . . . 69 ARG CB . 19014 1 852 . 1 1 69 69 ARG CG C 13 26.793 0.059 . 1 . . . . 69 ARG CG . 19014 1 853 . 1 1 69 69 ARG CD C 13 43.255 0.010 . 1 . . . . 69 ARG CD . 19014 1 854 . 1 1 69 69 ARG N N 15 120.970 0.017 . 1 . . . . 69 ARG N . 19014 1 855 . 1 1 69 69 ARG NE N 15 84.904 0.008 . 1 . . . . 69 ARG NE . 19014 1 856 . 1 1 70 70 GLU H H 1 8.307 0.003 . 1 . . . . 70 GLU H . 19014 1 857 . 1 1 70 70 GLU HA H 1 4.416 0.004 . 1 . . . . 70 GLU HA . 19014 1 858 . 1 1 70 70 GLU HB2 H 1 2.014 0.007 . 2 . . . . 70 GLU HB2 . 19014 1 859 . 1 1 70 70 GLU HB3 H 1 1.932 0.006 . 2 . . . . 70 GLU HB3 . 19014 1 860 . 1 1 70 70 GLU HG2 H 1 2.228 0.007 . 1 . . . . 70 GLU HG2 . 19014 1 861 . 1 1 70 70 GLU HG3 H 1 2.228 0.007 . 1 . . . . 70 GLU HG3 . 19014 1 862 . 1 1 70 70 GLU C C 13 176.324 0.004 . 1 . . . . 70 GLU C . 19014 1 863 . 1 1 70 70 GLU CA C 13 56.223 0.028 . 1 . . . . 70 GLU CA . 19014 1 864 . 1 1 70 70 GLU CB C 13 30.220 0.015 . 1 . . . . 70 GLU CB . 19014 1 865 . 1 1 70 70 GLU CG C 13 36.279 0.048 . 1 . . . . 70 GLU CG . 19014 1 866 . 1 1 70 70 GLU N N 15 120.669 0.022 . 1 . . . . 70 GLU N . 19014 1 867 . 1 1 71 71 ILE H H 1 8.666 0.004 . 1 . . . . 71 ILE H . 19014 1 868 . 1 1 71 71 ILE HA H 1 4.291 0.005 . 1 . . . . 71 ILE HA . 19014 1 869 . 1 1 71 71 ILE HB H 1 1.864 0.004 . 1 . . . . 71 ILE HB . 19014 1 870 . 1 1 71 71 ILE HG12 H 1 1.306 0.006 . 2 . . . . 71 ILE HG12 . 19014 1 871 . 1 1 71 71 ILE HG13 H 1 1.500 0.008 . 2 . . . . 71 ILE HG13 . 19014 1 872 . 1 1 71 71 ILE HG21 H 1 0.804 0.006 . 1 . . . . 71 ILE HG21 . 19014 1 873 . 1 1 71 71 ILE HG22 H 1 0.804 0.006 . 1 . . . . 71 ILE HG22 . 19014 1 874 . 1 1 71 71 ILE HG23 H 1 0.804 0.006 . 1 . . . . 71 ILE HG23 . 19014 1 875 . 1 1 71 71 ILE HD11 H 1 0.779 0.006 . 1 . . . . 71 ILE HD11 . 19014 1 876 . 1 1 71 71 ILE HD12 H 1 0.779 0.006 . 1 . . . . 71 ILE HD12 . 19014 1 877 . 1 1 71 71 ILE HD13 H 1 0.779 0.006 . 1 . . . . 71 ILE HD13 . 19014 1 878 . 1 1 71 71 ILE C C 13 174.802 0.006 . 1 . . . . 71 ILE C . 19014 1 879 . 1 1 71 71 ILE CA C 13 59.593 0.016 . 1 . . . . 71 ILE CA . 19014 1 880 . 1 1 71 71 ILE CB C 13 39.547 0.017 . 1 . . . . 71 ILE CB . 19014 1 881 . 1 1 71 71 ILE CG1 C 13 27.281 0.017 . 1 . . . . 71 ILE CG1 . 19014 1 882 . 1 1 71 71 ILE CG2 C 13 19.167 0.008 . 1 . . . . 71 ILE CG2 . 19014 1 883 . 1 1 71 71 ILE CD1 C 13 13.370 0.018 . 1 . . . . 71 ILE CD1 . 19014 1 884 . 1 1 71 71 ILE N N 15 121.025 0.018 . 1 . . . . 71 ILE N . 19014 1 885 . 1 1 72 72 ASP H H 1 8.272 0.008 . 1 . . . . 72 ASP H . 19014 1 886 . 1 1 72 72 ASP HA H 1 4.750 0.006 . 1 . . . . 72 ASP HA . 19014 1 887 . 1 1 72 72 ASP HB2 H 1 2.563 0.008 . 2 . . . . 72 ASP HB2 . 19014 1 888 . 1 1 72 72 ASP HB3 H 1 2.639 0.009 . 2 . . . . 72 ASP HB3 . 19014 1 889 . 1 1 72 72 ASP C C 13 174.957 0.025 . 1 . . . . 72 ASP C . 19014 1 890 . 1 1 72 72 ASP CA C 13 53.375 0.035 . 1 . . . . 72 ASP CA . 19014 1 891 . 1 1 72 72 ASP CB C 13 42.816 0.007 . 1 . . . . 72 ASP CB . 19014 1 892 . 1 1 72 72 ASP N N 15 124.420 0.021 . 1 . . . . 72 ASP N . 19014 1 893 . 1 1 73 73 GLY H H 1 8.079 0.002 . 1 . . . . 73 GLY H . 19014 1 894 . 1 1 73 73 GLY HA2 H 1 3.758 0.006 . 2 . . . . 73 GLY HA2 . 19014 1 895 . 1 1 73 73 GLY HA3 H 1 4.092 0.013 . 2 . . . . 73 GLY HA3 . 19014 1 896 . 1 1 73 73 GLY C C 13 171.701 0.005 . 1 . . . . 73 GLY C . 19014 1 897 . 1 1 73 73 GLY CA C 13 45.119 0.028 . 1 . . . . 73 GLY CA . 19014 1 898 . 1 1 73 73 GLY N N 15 106.968 0.015 . 1 . . . . 73 GLY N . 19014 1 899 . 1 1 74 74 ARG H H 1 8.413 0.002 . 1 . . . . 74 ARG H . 19014 1 900 . 1 1 74 74 ARG HA H 1 4.757 0.003 . 1 . . . . 74 ARG HA . 19014 1 901 . 1 1 74 74 ARG HB2 H 1 1.753 0.005 . 2 . . . . 74 ARG HB2 . 19014 1 902 . 1 1 74 74 ARG HB3 H 1 2.010 0.010 . 2 . . . . 74 ARG HB3 . 19014 1 903 . 1 1 74 74 ARG HG2 H 1 1.587 0.008 . 2 . . . . 74 ARG HG2 . 19014 1 904 . 1 1 74 74 ARG HG3 H 1 1.372 0.006 . 2 . . . . 74 ARG HG3 . 19014 1 905 . 1 1 74 74 ARG HD2 H 1 3.032 0.006 . 2 . . . . 74 ARG HD2 . 19014 1 906 . 1 1 74 74 ARG HD3 H 1 3.409 0.004 . 2 . . . . 74 ARG HD3 . 19014 1 907 . 1 1 74 74 ARG HE H 1 7.076 0.003 . 1 . . . . 74 ARG HE . 19014 1 908 . 1 1 74 74 ARG C C 13 173.844 0.000 . 1 . . . . 74 ARG C . 19014 1 909 . 1 1 74 74 ARG CA C 13 53.083 0.019 . 1 . . . . 74 ARG CA . 19014 1 910 . 1 1 74 74 ARG CB C 13 33.163 0.033 . 1 . . . . 74 ARG CB . 19014 1 911 . 1 1 74 74 ARG CG C 13 27.109 0.059 . 1 . . . . 74 ARG CG . 19014 1 912 . 1 1 74 74 ARG CD C 13 43.066 0.015 . 1 . . . . 74 ARG CD . 19014 1 913 . 1 1 74 74 ARG N N 15 124.069 0.019 . 1 . . . . 74 ARG N . 19014 1 914 . 1 1 74 74 ARG NE N 15 80.787 0.016 . 1 . . . . 74 ARG NE . 19014 1 915 . 1 1 75 75 PRO HA H 1 4.552 0.003 . 1 . . . . 75 PRO HA . 19014 1 916 . 1 1 75 75 PRO HB2 H 1 2.114 0.003 . 2 . . . . 75 PRO HB2 . 19014 1 917 . 1 1 75 75 PRO HB3 H 1 1.928 0.004 . 2 . . . . 75 PRO HB3 . 19014 1 918 . 1 1 75 75 PRO HG2 H 1 1.904 0.004 . 2 . . . . 75 PRO HG2 . 19014 1 919 . 1 1 75 75 PRO HG3 H 1 2.202 0.005 . 2 . . . . 75 PRO HG3 . 19014 1 920 . 1 1 75 75 PRO HD2 H 1 4.171 0.001 . 2 . . . . 75 PRO HD2 . 19014 1 921 . 1 1 75 75 PRO HD3 H 1 3.733 0.003 . 2 . . . . 75 PRO HD3 . 19014 1 922 . 1 1 75 75 PRO C C 13 175.988 0.000 . 1 . . . . 75 PRO C . 19014 1 923 . 1 1 75 75 PRO CA C 13 62.757 0.008 . 1 . . . . 75 PRO CA . 19014 1 924 . 1 1 75 75 PRO CB C 13 31.755 0.017 . 1 . . . . 75 PRO CB . 19014 1 925 . 1 1 75 75 PRO CG C 13 27.695 0.023 . 1 . . . . 75 PRO CG . 19014 1 926 . 1 1 75 75 PRO CD C 13 50.825 0.033 . 1 . . . . 75 PRO CD . 19014 1 927 . 1 1 76 76 ILE H H 1 8.841 0.003 . 1 . . . . 76 ILE H . 19014 1 928 . 1 1 76 76 ILE HA H 1 4.333 0.005 . 1 . . . . 76 ILE HA . 19014 1 929 . 1 1 76 76 ILE HB H 1 1.592 0.006 . 1 . . . . 76 ILE HB . 19014 1 930 . 1 1 76 76 ILE HG12 H 1 0.847 0.006 . 2 . . . . 76 ILE HG12 . 19014 1 931 . 1 1 76 76 ILE HG13 H 1 1.838 0.004 . 2 . . . . 76 ILE HG13 . 19014 1 932 . 1 1 76 76 ILE HG21 H 1 0.920 0.005 . 1 . . . . 76 ILE HG21 . 19014 1 933 . 1 1 76 76 ILE HG22 H 1 0.920 0.005 . 1 . . . . 76 ILE HG22 . 19014 1 934 . 1 1 76 76 ILE HG23 H 1 0.920 0.005 . 1 . . . . 76 ILE HG23 . 19014 1 935 . 1 1 76 76 ILE HD11 H 1 0.603 0.003 . 1 . . . . 76 ILE HD11 . 19014 1 936 . 1 1 76 76 ILE HD12 H 1 0.603 0.003 . 1 . . . . 76 ILE HD12 . 19014 1 937 . 1 1 76 76 ILE HD13 H 1 0.603 0.003 . 1 . . . . 76 ILE HD13 . 19014 1 938 . 1 1 76 76 ILE C C 13 174.005 0.000 . 1 . . . . 76 ILE C . 19014 1 939 . 1 1 76 76 ILE CA C 13 58.773 0.023 . 1 . . . . 76 ILE CA . 19014 1 940 . 1 1 76 76 ILE CB C 13 39.647 0.021 . 1 . . . . 76 ILE CB . 19014 1 941 . 1 1 76 76 ILE CG1 C 13 27.144 0.023 . 1 . . . . 76 ILE CG1 . 19014 1 942 . 1 1 76 76 ILE CG2 C 13 18.191 0.019 . 1 . . . . 76 ILE CG2 . 19014 1 943 . 1 1 76 76 ILE CD1 C 13 14.792 0.011 . 1 . . . . 76 ILE CD1 . 19014 1 944 . 1 1 76 76 ILE N N 15 128.181 0.012 . 1 . . . . 76 ILE N . 19014 1 945 . 1 1 77 77 PRO HA H 1 4.761 0.002 . 1 . . . . 77 PRO HA . 19014 1 946 . 1 1 77 77 PRO HB2 H 1 2.494 0.005 . 2 . . . . 77 PRO HB2 . 19014 1 947 . 1 1 77 77 PRO HB3 H 1 1.892 0.005 . 2 . . . . 77 PRO HB3 . 19014 1 948 . 1 1 77 77 PRO HG2 H 1 2.046 0.007 . 2 . . . . 77 PRO HG2 . 19014 1 949 . 1 1 77 77 PRO HG3 H 1 2.174 0.009 . 2 . . . . 77 PRO HG3 . 19014 1 950 . 1 1 77 77 PRO HD2 H 1 4.037 0.003 . 2 . . . . 77 PRO HD2 . 19014 1 951 . 1 1 77 77 PRO HD3 H 1 3.988 0.003 . 2 . . . . 77 PRO HD3 . 19014 1 952 . 1 1 77 77 PRO CA C 13 61.531 0.012 . 1 . . . . 77 PRO CA . 19014 1 953 . 1 1 77 77 PRO CB C 13 31.687 0.024 . 1 . . . . 77 PRO CB . 19014 1 954 . 1 1 77 77 PRO CG C 13 27.846 0.063 . 1 . . . . 77 PRO CG . 19014 1 955 . 1 1 77 77 PRO CD C 13 50.787 0.018 . 1 . . . . 77 PRO CD . 19014 1 956 . 1 1 78 78 PRO HA H 1 4.366 0.005 . 1 . . . . 78 PRO HA . 19014 1 957 . 1 1 78 78 PRO HB2 H 1 2.492 0.002 . 2 . . . . 78 PRO HB2 . 19014 1 958 . 1 1 78 78 PRO HB3 H 1 2.016 0.007 . 2 . . . . 78 PRO HB3 . 19014 1 959 . 1 1 78 78 PRO HG2 H 1 2.161 0.006 . 2 . . . . 78 PRO HG2 . 19014 1 960 . 1 1 78 78 PRO HG3 H 1 2.204 0.005 . 2 . . . . 78 PRO HG3 . 19014 1 961 . 1 1 78 78 PRO HD2 H 1 3.946 0.007 . 2 . . . . 78 PRO HD2 . 19014 1 962 . 1 1 78 78 PRO HD3 H 1 3.867 0.007 . 2 . . . . 78 PRO HD3 . 19014 1 963 . 1 1 78 78 PRO C C 13 176.868 0.002 . 1 . . . . 78 PRO C . 19014 1 964 . 1 1 78 78 PRO CA C 13 65.032 0.013 . 1 . . . . 78 PRO CA . 19014 1 965 . 1 1 78 78 PRO CB C 13 32.825 0.036 . 1 . . . . 78 PRO CB . 19014 1 966 . 1 1 78 78 PRO CG C 13 27.738 0.040 . 1 . . . . 78 PRO CG . 19014 1 967 . 1 1 78 78 PRO CD C 13 50.442 0.035 . 1 . . . . 78 PRO CD . 19014 1 968 . 1 1 79 79 THR H H 1 7.042 0.002 . 1 . . . . 79 THR H . 19014 1 969 . 1 1 79 79 THR HA H 1 4.257 0.006 . 1 . . . . 79 THR HA . 19014 1 970 . 1 1 79 79 THR HB H 1 4.488 0.009 . 1 . . . . 79 THR HB . 19014 1 971 . 1 1 79 79 THR HG21 H 1 1.261 0.005 . 1 . . . . 79 THR HG21 . 19014 1 972 . 1 1 79 79 THR HG22 H 1 1.261 0.005 . 1 . . . . 79 THR HG22 . 19014 1 973 . 1 1 79 79 THR HG23 H 1 1.261 0.005 . 1 . . . . 79 THR HG23 . 19014 1 974 . 1 1 79 79 THR C C 13 176.104 0.004 . 1 . . . . 79 THR C . 19014 1 975 . 1 1 79 79 THR CA C 13 61.068 0.010 . 1 . . . . 79 THR CA . 19014 1 976 . 1 1 79 79 THR CB C 13 69.418 0.023 . 1 . . . . 79 THR CB . 19014 1 977 . 1 1 79 79 THR CG2 C 13 22.035 0.021 . 1 . . . . 79 THR CG2 . 19014 1 978 . 1 1 79 79 THR N N 15 99.772 0.014 . 1 . . . . 79 THR N . 19014 1 979 . 1 1 80 80 GLU H H 1 8.111 0.002 . 1 . . . . 80 GLU H . 19014 1 980 . 1 1 80 80 GLU HA H 1 4.210 0.007 . 1 . . . . 80 GLU HA . 19014 1 981 . 1 1 80 80 GLU HB2 H 1 2.099 0.006 . 1 . . . . 80 GLU HB2 . 19014 1 982 . 1 1 80 80 GLU HB3 H 1 2.099 0.006 . 1 . . . . 80 GLU HB3 . 19014 1 983 . 1 1 80 80 GLU HG2 H 1 1.828 0.005 . 2 . . . . 80 GLU HG2 . 19014 1 984 . 1 1 80 80 GLU HG3 H 1 2.349 0.008 . 2 . . . . 80 GLU HG3 . 19014 1 985 . 1 1 80 80 GLU C C 13 175.632 0.001 . 1 . . . . 80 GLU C . 19014 1 986 . 1 1 80 80 GLU CA C 13 56.880 0.019 . 1 . . . . 80 GLU CA . 19014 1 987 . 1 1 80 80 GLU CB C 13 30.829 0.017 . 1 . . . . 80 GLU CB . 19014 1 988 . 1 1 80 80 GLU CG C 13 37.824 0.021 . 1 . . . . 80 GLU CG . 19014 1 989 . 1 1 80 80 GLU N N 15 125.702 0.017 . 1 . . . . 80 GLU N . 19014 1 990 . 1 1 81 81 CYS H H 1 8.844 0.005 . 1 . . . . 81 CYS H . 19014 1 991 . 1 1 81 81 CYS HA H 1 5.219 0.006 . 1 . . . . 81 CYS HA . 19014 1 992 . 1 1 81 81 CYS HB2 H 1 3.139 0.003 . 2 . . . . 81 CYS HB2 . 19014 1 993 . 1 1 81 81 CYS HB3 H 1 2.897 0.009 . 2 . . . . 81 CYS HB3 . 19014 1 994 . 1 1 81 81 CYS C C 13 175.698 0.000 . 1 . . . . 81 CYS C . 19014 1 995 . 1 1 81 81 CYS CA C 13 56.436 0.020 . 1 . . . . 81 CYS CA . 19014 1 996 . 1 1 81 81 CYS CB C 13 27.079 0.011 . 1 . . . . 81 CYS CB . 19014 1 997 . 1 1 81 81 CYS N N 15 123.972 0.078 . 1 . . . . 81 CYS N . 19014 1 998 . 1 1 82 82 PRO HA H 1 4.587 0.006 . 1 . . . . 82 PRO HA . 19014 1 999 . 1 1 82 82 PRO HB2 H 1 2.374 0.007 . 2 . . . . 82 PRO HB2 . 19014 1 1000 . 1 1 82 82 PRO HB3 H 1 1.976 0.005 . 2 . . . . 82 PRO HB3 . 19014 1 1001 . 1 1 82 82 PRO HG2 H 1 1.697 0.005 . 1 . . . . 82 PRO HG2 . 19014 1 1002 . 1 1 82 82 PRO HG3 H 1 1.697 0.006 . 1 . . . . 82 PRO HG3 . 19014 1 1003 . 1 1 82 82 PRO HD2 H 1 3.938 0.004 . 2 . . . . 82 PRO HD2 . 19014 1 1004 . 1 1 82 82 PRO HD3 H 1 3.753 0.008 . 2 . . . . 82 PRO HD3 . 19014 1 1005 . 1 1 82 82 PRO C C 13 177.731 0.005 . 1 . . . . 82 PRO C . 19014 1 1006 . 1 1 82 82 PRO CA C 13 64.342 0.023 . 1 . . . . 82 PRO CA . 19014 1 1007 . 1 1 82 82 PRO CB C 13 32.230 0.021 . 1 . . . . 82 PRO CB . 19014 1 1008 . 1 1 82 82 PRO CG C 13 26.842 0.039 . 1 . . . . 82 PRO CG . 19014 1 1009 . 1 1 82 82 PRO CD C 13 50.724 0.038 . 1 . . . . 82 PRO CD . 19014 1 1010 . 1 1 83 83 LEU H H 1 9.101 0.003 . 1 . . . . 83 LEU H . 19014 1 1011 . 1 1 83 83 LEU HA H 1 4.059 0.007 . 1 . . . . 83 LEU HA . 19014 1 1012 . 1 1 83 83 LEU HB2 H 1 2.044 0.006 . 2 . . . . 83 LEU HB2 . 19014 1 1013 . 1 1 83 83 LEU HB3 H 1 1.052 0.006 . 2 . . . . 83 LEU HB3 . 19014 1 1014 . 1 1 83 83 LEU HG H 1 1.498 0.007 . 1 . . . . 83 LEU HG . 19014 1 1015 . 1 1 83 83 LEU HD11 H 1 0.640 0.007 . 2 . . . . 83 LEU HD11 . 19014 1 1016 . 1 1 83 83 LEU HD12 H 1 0.640 0.007 . 2 . . . . 83 LEU HD12 . 19014 1 1017 . 1 1 83 83 LEU HD13 H 1 0.640 0.007 . 2 . . . . 83 LEU HD13 . 19014 1 1018 . 1 1 83 83 LEU HD21 H 1 0.654 0.003 . 2 . . . . 83 LEU HD21 . 19014 1 1019 . 1 1 83 83 LEU HD22 H 1 0.654 0.003 . 2 . . . . 83 LEU HD22 . 19014 1 1020 . 1 1 83 83 LEU HD23 H 1 0.654 0.003 . 2 . . . . 83 LEU HD23 . 19014 1 1021 . 1 1 83 83 LEU C C 13 179.590 0.002 . 1 . . . . 83 LEU C . 19014 1 1022 . 1 1 83 83 LEU CA C 13 57.010 0.018 . 1 . . . . 83 LEU CA . 19014 1 1023 . 1 1 83 83 LEU CB C 13 40.148 0.019 . 1 . . . . 83 LEU CB . 19014 1 1024 . 1 1 83 83 LEU CG C 13 27.446 0.055 . 1 . . . . 83 LEU CG . 19014 1 1025 . 1 1 83 83 LEU CD1 C 13 25.386 0.004 . 2 . . . . 83 LEU CD1 . 19014 1 1026 . 1 1 83 83 LEU CD2 C 13 22.935 0.013 . 2 . . . . 83 LEU CD2 . 19014 1 1027 . 1 1 83 83 LEU N N 15 117.578 0.022 . 1 . . . . 83 LEU N . 19014 1 1028 . 1 1 84 84 PHE H H 1 7.197 0.003 . 1 . . . . 84 PHE H . 19014 1 1029 . 1 1 84 84 PHE HA H 1 4.071 0.004 . 1 . . . . 84 PHE HA . 19014 1 1030 . 1 1 84 84 PHE HB2 H 1 3.126 0.008 . 2 . . . . 84 PHE HB2 . 19014 1 1031 . 1 1 84 84 PHE HB3 H 1 3.251 0.007 . 2 . . . . 84 PHE HB3 . 19014 1 1032 . 1 1 84 84 PHE HD1 H 1 7.269 0.003 . 3 . . . . 84 PHE HD1 . 19014 1 1033 . 1 1 84 84 PHE HD2 H 1 7.269 0.003 . 3 . . . . 84 PHE HD2 . 19014 1 1034 . 1 1 84 84 PHE HE1 H 1 7.342 0.007 . 3 . . . . 84 PHE HE1 . 19014 1 1035 . 1 1 84 84 PHE HE2 H 1 7.342 0.007 . 3 . . . . 84 PHE HE2 . 19014 1 1036 . 1 1 84 84 PHE HZ H 1 7.306 0.002 . 1 . . . . 84 PHE HZ . 19014 1 1037 . 1 1 84 84 PHE C C 13 177.741 0.012 . 1 . . . . 84 PHE C . 19014 1 1038 . 1 1 84 84 PHE CA C 13 61.980 0.015 . 1 . . . . 84 PHE CA . 19014 1 1039 . 1 1 84 84 PHE CB C 13 38.536 0.023 . 1 . . . . 84 PHE CB . 19014 1 1040 . 1 1 84 84 PHE CD1 C 13 131.698 0.039 . 3 . . . . 84 PHE CD1 . 19014 1 1041 . 1 1 84 84 PHE CD2 C 13 131.698 0.039 . 3 . . . . 84 PHE CD2 . 19014 1 1042 . 1 1 84 84 PHE CE1 C 13 131.810 0.037 . 3 . . . . 84 PHE CE1 . 19014 1 1043 . 1 1 84 84 PHE CE2 C 13 131.810 0.037 . 3 . . . . 84 PHE CE2 . 19014 1 1044 . 1 1 84 84 PHE CZ C 13 129.812 0.055 . 1 . . . . 84 PHE CZ . 19014 1 1045 . 1 1 84 84 PHE N N 15 120.124 0.026 . 1 . . . . 84 PHE N . 19014 1 1046 . 1 1 85 85 GLU H H 1 8.291 0.002 . 1 . . . . 85 GLU H . 19014 1 1047 . 1 1 85 85 GLU HA H 1 4.162 0.005 . 1 . . . . 85 GLU HA . 19014 1 1048 . 1 1 85 85 GLU HB2 H 1 2.068 0.004 . 2 . . . . 85 GLU HB2 . 19014 1 1049 . 1 1 85 85 GLU HB3 H 1 2.008 0.004 . 2 . . . . 85 GLU HB3 . 19014 1 1050 . 1 1 85 85 GLU HG2 H 1 2.350 0.002 . 1 . . . . 85 GLU HG2 . 19014 1 1051 . 1 1 85 85 GLU HG3 H 1 2.352 0.005 . 1 . . . . 85 GLU HG3 . 19014 1 1052 . 1 1 85 85 GLU C C 13 179.094 0.004 . 1 . . . . 85 GLU C . 19014 1 1053 . 1 1 85 85 GLU CA C 13 58.462 0.014 . 1 . . . . 85 GLU CA . 19014 1 1054 . 1 1 85 85 GLU CB C 13 29.118 0.014 . 1 . . . . 85 GLU CB . 19014 1 1055 . 1 1 85 85 GLU CG C 13 36.035 0.019 . 1 . . . . 85 GLU CG . 19014 1 1056 . 1 1 85 85 GLU N N 15 118.533 0.027 . 1 . . . . 85 GLU N . 19014 1 1057 . 1 1 86 86 MET H H 1 7.760 0.003 . 1 . . . . 86 MET H . 19014 1 1058 . 1 1 86 86 MET HA H 1 3.882 0.010 . 1 . . . . 86 MET HA . 19014 1 1059 . 1 1 86 86 MET HB2 H 1 1.957 0.006 . 2 . . . . 86 MET HB2 . 19014 1 1060 . 1 1 86 86 MET HB3 H 1 1.641 0.007 . 2 . . . . 86 MET HB3 . 19014 1 1061 . 1 1 86 86 MET HG2 H 1 2.511 0.007 . 2 . . . . 86 MET HG2 . 19014 1 1062 . 1 1 86 86 MET HG3 H 1 2.343 0.007 . 2 . . . . 86 MET HG3 . 19014 1 1063 . 1 1 86 86 MET HE1 H 1 1.711 0.007 . 1 . . . . 86 MET HE1 . 19014 1 1064 . 1 1 86 86 MET HE2 H 1 1.711 0.007 . 1 . . . . 86 MET HE2 . 19014 1 1065 . 1 1 86 86 MET HE3 H 1 1.711 0.007 . 1 . . . . 86 MET HE3 . 19014 1 1066 . 1 1 86 86 MET C C 13 178.737 0.002 . 1 . . . . 86 MET C . 19014 1 1067 . 1 1 86 86 MET CA C 13 59.532 0.022 . 1 . . . . 86 MET CA . 19014 1 1068 . 1 1 86 86 MET CB C 13 34.343 0.029 . 1 . . . . 86 MET CB . 19014 1 1069 . 1 1 86 86 MET CG C 13 31.981 0.042 . 1 . . . . 86 MET CG . 19014 1 1070 . 1 1 86 86 MET CE C 13 15.904 0.006 . 1 . . . . 86 MET CE . 19014 1 1071 . 1 1 86 86 MET N N 15 116.920 0.017 . 1 . . . . 86 MET N . 19014 1 1072 . 1 1 87 87 THR H H 1 7.802 0.004 . 1 . . . . 87 THR H . 19014 1 1073 . 1 1 87 87 THR HA H 1 4.124 0.003 . 1 . . . . 87 THR HA . 19014 1 1074 . 1 1 87 87 THR HB H 1 4.256 0.007 . 1 . . . . 87 THR HB . 19014 1 1075 . 1 1 87 87 THR HG21 H 1 1.206 0.003 . 1 . . . . 87 THR HG21 . 19014 1 1076 . 1 1 87 87 THR HG22 H 1 1.206 0.003 . 1 . . . . 87 THR HG22 . 19014 1 1077 . 1 1 87 87 THR HG23 H 1 1.206 0.003 . 1 . . . . 87 THR HG23 . 19014 1 1078 . 1 1 87 87 THR C C 13 176.206 0.005 . 1 . . . . 87 THR C . 19014 1 1079 . 1 1 87 87 THR CA C 13 64.606 0.010 . 1 . . . . 87 THR CA . 19014 1 1080 . 1 1 87 87 THR CB C 13 69.220 0.029 . 1 . . . . 87 THR CB . 19014 1 1081 . 1 1 87 87 THR CG2 C 13 21.607 0.006 . 1 . . . . 87 THR CG2 . 19014 1 1082 . 1 1 87 87 THR N N 15 110.657 0.038 . 1 . . . . 87 THR N . 19014 1 1083 . 1 1 88 88 ALA H H 1 7.674 0.006 . 1 . . . . 88 ALA H . 19014 1 1084 . 1 1 88 88 ALA HA H 1 4.206 0.006 . 1 . . . . 88 ALA HA . 19014 1 1085 . 1 1 88 88 ALA HB1 H 1 1.405 0.004 . 1 . . . . 88 ALA HB1 . 19014 1 1086 . 1 1 88 88 ALA HB2 H 1 1.405 0.004 . 1 . . . . 88 ALA HB2 . 19014 1 1087 . 1 1 88 88 ALA HB3 H 1 1.405 0.004 . 1 . . . . 88 ALA HB3 . 19014 1 1088 . 1 1 88 88 ALA C C 13 179.091 0.002 . 1 . . . . 88 ALA C . 19014 1 1089 . 1 1 88 88 ALA CA C 13 54.022 0.018 . 1 . . . . 88 ALA CA . 19014 1 1090 . 1 1 88 88 ALA CB C 13 18.523 0.012 . 1 . . . . 88 ALA CB . 19014 1 1091 . 1 1 88 88 ALA N N 15 125.208 0.019 . 1 . . . . 88 ALA N . 19014 1 1092 . 1 1 89 89 ARG H H 1 7.660 0.005 . 1 . . . . 89 ARG H . 19014 1 1093 . 1 1 89 89 ARG HA H 1 4.351 0.004 . 1 . . . . 89 ARG HA . 19014 1 1094 . 1 1 89 89 ARG HB2 H 1 1.865 0.011 . 1 . . . . 89 ARG HB2 . 19014 1 1095 . 1 1 89 89 ARG HB3 H 1 1.865 0.011 . 1 . . . . 89 ARG HB3 . 19014 1 1096 . 1 1 89 89 ARG HG2 H 1 1.825 0.008 . 2 . . . . 89 ARG HG2 . 19014 1 1097 . 1 1 89 89 ARG HG3 H 1 1.564 0.005 . 2 . . . . 89 ARG HG3 . 19014 1 1098 . 1 1 89 89 ARG HD2 H 1 3.137 0.002 . 2 . . . . 89 ARG HD2 . 19014 1 1099 . 1 1 89 89 ARG HD3 H 1 3.269 0.002 . 2 . . . . 89 ARG HD3 . 19014 1 1100 . 1 1 89 89 ARG HE H 1 8.075 0.003 . 1 . . . . 89 ARG HE . 19014 1 1101 . 1 1 89 89 ARG C C 13 176.895 0.004 . 1 . . . . 89 ARG C . 19014 1 1102 . 1 1 89 89 ARG CA C 13 57.022 0.023 . 1 . . . . 89 ARG CA . 19014 1 1103 . 1 1 89 89 ARG CB C 13 31.170 0.007 . 1 . . . . 89 ARG CB . 19014 1 1104 . 1 1 89 89 ARG CG C 13 27.622 0.047 . 1 . . . . 89 ARG CG . 19014 1 1105 . 1 1 89 89 ARG CD C 13 43.260 0.008 . 1 . . . . 89 ARG CD . 19014 1 1106 . 1 1 89 89 ARG N N 15 116.609 0.020 . 1 . . . . 89 ARG N . 19014 1 1107 . 1 1 89 89 ARG NE N 15 84.684 0.016 . 1 . . . . 89 ARG NE . 19014 1 1108 . 1 1 90 90 SER H H 1 7.908 0.002 . 1 . . . . 90 SER H . 19014 1 1109 . 1 1 90 90 SER HA H 1 4.577 0.003 . 1 . . . . 90 SER HA . 19014 1 1110 . 1 1 90 90 SER HB2 H 1 3.940 0.008 . 1 . . . . 90 SER HB2 . 19014 1 1111 . 1 1 90 90 SER HB3 H 1 3.940 0.008 . 1 . . . . 90 SER HB3 . 19014 1 1112 . 1 1 90 90 SER C C 13 175.330 0.013 . 1 . . . . 90 SER C . 19014 1 1113 . 1 1 90 90 SER CA C 13 58.766 0.020 . 1 . . . . 90 SER CA . 19014 1 1114 . 1 1 90 90 SER CB C 13 64.069 0.008 . 1 . . . . 90 SER CB . 19014 1 1115 . 1 1 90 90 SER N N 15 114.719 0.045 . 1 . . . . 90 SER N . 19014 1 1116 . 1 1 91 91 GLY H H 1 8.297 0.003 . 1 . . . . 91 GLY H . 19014 1 1117 . 1 1 91 91 GLY HA2 H 1 3.908 0.004 . 2 . . . . 91 GLY HA2 . 19014 1 1118 . 1 1 91 91 GLY HA3 H 1 4.052 0.007 . 2 . . . . 91 GLY HA3 . 19014 1 1119 . 1 1 91 91 GLY C C 13 174.155 0.017 . 1 . . . . 91 GLY C . 19014 1 1120 . 1 1 91 91 GLY CA C 13 45.717 0.034 . 1 . . . . 91 GLY CA . 19014 1 1121 . 1 1 91 91 GLY N N 15 111.142 0.016 . 1 . . . . 91 GLY N . 19014 1 1122 . 1 1 92 92 ASN H H 1 8.527 0.002 . 1 . . . . 92 ASN H . 19014 1 1123 . 1 1 92 92 ASN HA H 1 4.760 0.002 . 1 . . . . 92 ASN HA . 19014 1 1124 . 1 1 92 92 ASN HB2 H 1 2.879 0.002 . 2 . . . . 92 ASN HB2 . 19014 1 1125 . 1 1 92 92 ASN HB3 H 1 2.832 0.001 . 2 . . . . 92 ASN HB3 . 19014 1 1126 . 1 1 92 92 ASN HD21 H 1 6.931 0.002 . 1 . . . . 92 ASN HD21 . 19014 1 1127 . 1 1 92 92 ASN HD22 H 1 7.618 0.002 . 1 . . . . 92 ASN HD22 . 19014 1 1128 . 1 1 92 92 ASN C C 13 175.983 0.008 . 1 . . . . 92 ASN C . 19014 1 1129 . 1 1 92 92 ASN CA C 13 53.041 0.024 . 1 . . . . 92 ASN CA . 19014 1 1130 . 1 1 92 92 ASN CB C 13 38.721 0.008 . 1 . . . . 92 ASN CB . 19014 1 1131 . 1 1 92 92 ASN N N 15 118.835 0.058 . 1 . . . . 92 ASN N . 19014 1 1132 . 1 1 92 92 ASN ND2 N 15 112.597 0.112 . 1 . . . . 92 ASN ND2 . 19014 1 1133 . 1 1 93 93 GLY H H 1 8.273 0.005 . 1 . . . . 93 GLY H . 19014 1 1134 . 1 1 93 93 GLY HA2 H 1 3.912 0.011 . 2 . . . . 93 GLY HA2 . 19014 1 1135 . 1 1 93 93 GLY HA3 H 1 3.995 0.002 . 2 . . . . 93 GLY HA3 . 19014 1 1136 . 1 1 93 93 GLY C C 13 174.964 0.004 . 1 . . . . 93 GLY C . 19014 1 1137 . 1 1 93 93 GLY CA C 13 45.242 0.024 . 1 . . . . 93 GLY CA . 19014 1 1138 . 1 1 93 93 GLY N N 15 108.333 0.028 . 1 . . . . 93 GLY N . 19014 1 1139 . 1 1 94 94 GLU H H 1 8.532 0.001 . 1 . . . . 94 GLU H . 19014 1 1140 . 1 1 94 94 GLU HA H 1 4.111 0.007 . 1 . . . . 94 GLU HA . 19014 1 1141 . 1 1 94 94 GLU HB2 H 1 2.020 0.002 . 2 . . . . 94 GLU HB2 . 19014 1 1142 . 1 1 94 94 GLU HB3 H 1 1.945 0.002 . 2 . . . . 94 GLU HB3 . 19014 1 1143 . 1 1 94 94 GLU HG2 H 1 2.227 0.001 . 1 . . . . 94 GLU HG2 . 19014 1 1144 . 1 1 94 94 GLU HG3 H 1 2.227 0.001 . 1 . . . . 94 GLU HG3 . 19014 1 1145 . 1 1 94 94 GLU C C 13 177.065 0.007 . 1 . . . . 94 GLU C . 19014 1 1146 . 1 1 94 94 GLU CA C 13 57.611 0.032 . 1 . . . . 94 GLU CA . 19014 1 1147 . 1 1 94 94 GLU CB C 13 29.656 0.010 . 1 . . . . 94 GLU CB . 19014 1 1148 . 1 1 94 94 GLU CG C 13 36.247 0.035 . 1 . . . . 94 GLU CG . 19014 1 1149 . 1 1 94 94 GLU N N 15 121.230 0.053 . 1 . . . . 94 GLU N . 19014 1 1150 . 1 1 95 95 ASN H H 1 8.562 0.002 . 1 . . . . 95 ASN H . 19014 1 1151 . 1 1 95 95 ASN HA H 1 4.680 0.002 . 1 . . . . 95 ASN HA . 19014 1 1152 . 1 1 95 95 ASN HB2 H 1 2.860 0.014 . 2 . . . . 95 ASN HB2 . 19014 1 1153 . 1 1 95 95 ASN HB3 H 1 2.700 0.011 . 2 . . . . 95 ASN HB3 . 19014 1 1154 . 1 1 95 95 ASN HD21 H 1 7.584 0.003 . 1 . . . . 95 ASN HD21 . 19014 1 1155 . 1 1 95 95 ASN HD22 H 1 7.058 0.001 . 1 . . . . 95 ASN HD22 . 19014 1 1156 . 1 1 95 95 ASN C C 13 175.147 0.006 . 1 . . . . 95 ASN C . 19014 1 1157 . 1 1 95 95 ASN CA C 13 53.335 0.010 . 1 . . . . 95 ASN CA . 19014 1 1158 . 1 1 95 95 ASN CB C 13 38.862 0.014 . 1 . . . . 95 ASN CB . 19014 1 1159 . 1 1 95 95 ASN N N 15 117.397 0.011 . 1 . . . . 95 ASN N . 19014 1 1160 . 1 1 95 95 ASN ND2 N 15 113.462 0.023 . 1 . . . . 95 ASN ND2 . 19014 1 1161 . 1 1 96 96 GLY H H 1 7.969 0.002 . 1 . . . . 96 GLY H . 19014 1 1162 . 1 1 96 96 GLY HA2 H 1 3.796 0.009 . 2 . . . . 96 GLY HA2 . 19014 1 1163 . 1 1 96 96 GLY HA3 H 1 3.972 0.005 . 2 . . . . 96 GLY HA3 . 19014 1 1164 . 1 1 96 96 GLY C C 13 173.852 0.004 . 1 . . . . 96 GLY C . 19014 1 1165 . 1 1 96 96 GLY CA C 13 45.188 0.025 . 1 . . . . 96 GLY CA . 19014 1 1166 . 1 1 96 96 GLY N N 15 107.445 0.021 . 1 . . . . 96 GLY N . 19014 1 1167 . 1 1 97 97 PHE H H 1 8.001 0.005 . 1 . . . . 97 PHE H . 19014 1 1168 . 1 1 97 97 PHE HA H 1 4.933 0.004 . 1 . . . . 97 PHE HA . 19014 1 1169 . 1 1 97 97 PHE HB2 H 1 3.148 0.004 . 2 . . . . 97 PHE HB2 . 19014 1 1170 . 1 1 97 97 PHE HB3 H 1 3.597 0.003 . 2 . . . . 97 PHE HB3 . 19014 1 1171 . 1 1 97 97 PHE HD1 H 1 7.348 0.006 . 3 . . . . 97 PHE HD1 . 19014 1 1172 . 1 1 97 97 PHE HD2 H 1 7.348 0.006 . 3 . . . . 97 PHE HD2 . 19014 1 1173 . 1 1 97 97 PHE HE1 H 1 7.275 0.004 . 3 . . . . 97 PHE HE1 . 19014 1 1174 . 1 1 97 97 PHE HE2 H 1 7.275 0.004 . 3 . . . . 97 PHE HE2 . 19014 1 1175 . 1 1 97 97 PHE HZ H 1 7.089 0.006 . 1 . . . . 97 PHE HZ . 19014 1 1176 . 1 1 97 97 PHE C C 13 176.255 0.012 . 1 . . . . 97 PHE C . 19014 1 1177 . 1 1 97 97 PHE CA C 13 56.641 0.011 . 1 . . . . 97 PHE CA . 19014 1 1178 . 1 1 97 97 PHE CB C 13 40.235 0.011 . 1 . . . . 97 PHE CB . 19014 1 1179 . 1 1 97 97 PHE CD1 C 13 131.822 0.065 . 3 . . . . 97 PHE CD1 . 19014 1 1180 . 1 1 97 97 PHE CD2 C 13 131.822 0.065 . 3 . . . . 97 PHE CD2 . 19014 1 1181 . 1 1 97 97 PHE CE1 C 13 131.376 0.147 . 3 . . . . 97 PHE CE1 . 19014 1 1182 . 1 1 97 97 PHE CE2 C 13 131.376 0.147 . 3 . . . . 97 PHE CE2 . 19014 1 1183 . 1 1 97 97 PHE CZ C 13 129.321 0.048 . 1 . . . . 97 PHE CZ . 19014 1 1184 . 1 1 97 97 PHE N N 15 119.210 0.022 . 1 . . . . 97 PHE N . 19014 1 1185 . 1 1 98 98 ASP H H 1 8.691 0.003 . 1 . . . . 98 ASP H . 19014 1 1186 . 1 1 98 98 ASP HA H 1 4.806 0.004 . 1 . . . . 98 ASP HA . 19014 1 1187 . 1 1 98 98 ASP HB2 H 1 2.694 0.012 . 2 . . . . 98 ASP HB2 . 19014 1 1188 . 1 1 98 98 ASP HB3 H 1 2.923 0.004 . 2 . . . . 98 ASP HB3 . 19014 1 1189 . 1 1 98 98 ASP C C 13 175.606 0.005 . 1 . . . . 98 ASP C . 19014 1 1190 . 1 1 98 98 ASP CA C 13 54.002 0.044 . 1 . . . . 98 ASP CA . 19014 1 1191 . 1 1 98 98 ASP CB C 13 41.302 0.011 . 1 . . . . 98 ASP CB . 19014 1 1192 . 1 1 98 98 ASP N N 15 121.051 0.048 . 1 . . . . 98 ASP N . 19014 1 1193 . 1 1 99 99 SER H H 1 7.892 0.003 . 1 . . . . 99 SER H . 19014 1 1194 . 1 1 99 99 SER HA H 1 5.119 0.005 . 1 . . . . 99 SER HA . 19014 1 1195 . 1 1 99 99 SER HB2 H 1 3.808 0.008 . 2 . . . . 99 SER HB2 . 19014 1 1196 . 1 1 99 99 SER HB3 H 1 3.712 0.008 . 2 . . . . 99 SER HB3 . 19014 1 1197 . 1 1 99 99 SER C C 13 172.623 0.005 . 1 . . . . 99 SER C . 19014 1 1198 . 1 1 99 99 SER CA C 13 56.913 0.042 . 1 . . . . 99 SER CA . 19014 1 1199 . 1 1 99 99 SER CB C 13 65.989 0.028 . 1 . . . . 99 SER CB . 19014 1 1200 . 1 1 99 99 SER N N 15 115.062 0.016 . 1 . . . . 99 SER N . 19014 1 1201 . 1 1 100 100 PHE H H 1 8.957 0.002 . 1 . . . . 100 PHE H . 19014 1 1202 . 1 1 100 100 PHE HA H 1 5.039 0.006 . 1 . . . . 100 PHE HA . 19014 1 1203 . 1 1 100 100 PHE HB2 H 1 3.120 0.008 . 2 . . . . 100 PHE HB2 . 19014 1 1204 . 1 1 100 100 PHE HB3 H 1 3.378 0.007 . 2 . . . . 100 PHE HB3 . 19014 1 1205 . 1 1 100 100 PHE HD1 H 1 7.210 0.003 . 3 . . . . 100 PHE HD1 . 19014 1 1206 . 1 1 100 100 PHE HD2 H 1 7.210 0.003 . 3 . . . . 100 PHE HD2 . 19014 1 1207 . 1 1 100 100 PHE HE1 H 1 6.980 0.004 . 3 . . . . 100 PHE HE1 . 19014 1 1208 . 1 1 100 100 PHE HE2 H 1 6.980 0.004 . 3 . . . . 100 PHE HE2 . 19014 1 1209 . 1 1 100 100 PHE HZ H 1 6.929 0.006 . 1 . . . . 100 PHE HZ . 19014 1 1210 . 1 1 100 100 PHE C C 13 172.637 0.010 . 1 . . . . 100 PHE C . 19014 1 1211 . 1 1 100 100 PHE CA C 13 55.505 0.007 . 1 . . . . 100 PHE CA . 19014 1 1212 . 1 1 100 100 PHE CB C 13 41.701 0.027 . 1 . . . . 100 PHE CB . 19014 1 1213 . 1 1 100 100 PHE CD1 C 13 133.086 0.020 . 3 . . . . 100 PHE CD1 . 19014 1 1214 . 1 1 100 100 PHE CD2 C 13 133.086 0.020 . 3 . . . . 100 PHE CD2 . 19014 1 1215 . 1 1 100 100 PHE CE1 C 13 130.349 0.056 . 3 . . . . 100 PHE CE1 . 19014 1 1216 . 1 1 100 100 PHE CE2 C 13 130.349 0.056 . 3 . . . . 100 PHE CE2 . 19014 1 1217 . 1 1 100 100 PHE CZ C 13 129.525 0.102 . 1 . . . . 100 PHE CZ . 19014 1 1218 . 1 1 100 100 PHE N N 15 115.878 0.022 . 1 . . . . 100 PHE N . 19014 1 1219 . 1 1 101 101 LEU H H 1 9.339 0.004 . 1 . . . . 101 LEU H . 19014 1 1220 . 1 1 101 101 LEU HA H 1 5.352 0.005 . 1 . . . . 101 LEU HA . 19014 1 1221 . 1 1 101 101 LEU HB2 H 1 2.006 0.007 . 2 . . . . 101 LEU HB2 . 19014 1 1222 . 1 1 101 101 LEU HB3 H 1 1.205 0.005 . 2 . . . . 101 LEU HB3 . 19014 1 1223 . 1 1 101 101 LEU HG H 1 1.695 0.004 . 1 . . . . 101 LEU HG . 19014 1 1224 . 1 1 101 101 LEU HD11 H 1 0.700 0.005 . 2 . . . . 101 LEU HD11 . 19014 1 1225 . 1 1 101 101 LEU HD12 H 1 0.700 0.005 . 2 . . . . 101 LEU HD12 . 19014 1 1226 . 1 1 101 101 LEU HD13 H 1 0.700 0.005 . 2 . . . . 101 LEU HD13 . 19014 1 1227 . 1 1 101 101 LEU HD21 H 1 0.820 0.007 . 2 . . . . 101 LEU HD21 . 19014 1 1228 . 1 1 101 101 LEU HD22 H 1 0.820 0.007 . 2 . . . . 101 LEU HD22 . 19014 1 1229 . 1 1 101 101 LEU HD23 H 1 0.820 0.007 . 2 . . . . 101 LEU HD23 . 19014 1 1230 . 1 1 101 101 LEU C C 13 175.947 0.006 . 1 . . . . 101 LEU C . 19014 1 1231 . 1 1 101 101 LEU CA C 13 53.120 0.014 . 1 . . . . 101 LEU CA . 19014 1 1232 . 1 1 101 101 LEU CB C 13 43.983 0.031 . 1 . . . . 101 LEU CB . 19014 1 1233 . 1 1 101 101 LEU CG C 13 26.837 0.045 . 1 . . . . 101 LEU CG . 19014 1 1234 . 1 1 101 101 LEU CD1 C 13 23.387 0.005 . 2 . . . . 101 LEU CD1 . 19014 1 1235 . 1 1 101 101 LEU CD2 C 13 26.593 0.016 . 2 . . . . 101 LEU CD2 . 19014 1 1236 . 1 1 101 101 LEU N N 15 119.746 0.017 . 1 . . . . 101 LEU N . 19014 1 1237 . 1 1 102 102 ALA H H 1 9.271 0.004 . 1 . . . . 102 ALA H . 19014 1 1238 . 1 1 102 102 ALA HA H 1 5.674 0.005 . 1 . . . . 102 ALA HA . 19014 1 1239 . 1 1 102 102 ALA HB1 H 1 1.488 0.004 . 1 . . . . 102 ALA HB1 . 19014 1 1240 . 1 1 102 102 ALA HB2 H 1 1.488 0.004 . 1 . . . . 102 ALA HB2 . 19014 1 1241 . 1 1 102 102 ALA HB3 H 1 1.488 0.004 . 1 . . . . 102 ALA HB3 . 19014 1 1242 . 1 1 102 102 ALA C C 13 174.940 0.005 . 1 . . . . 102 ALA C . 19014 1 1243 . 1 1 102 102 ALA CA C 13 49.706 0.013 . 1 . . . . 102 ALA CA . 19014 1 1244 . 1 1 102 102 ALA CB C 13 25.004 0.023 . 1 . . . . 102 ALA CB . 19014 1 1245 . 1 1 102 102 ALA N N 15 123.157 0.012 . 1 . . . . 102 ALA N . 19014 1 1246 . 1 1 103 103 ILE H H 1 7.872 0.004 . 1 . . . . 103 ILE H . 19014 1 1247 . 1 1 103 103 ILE HA H 1 4.772 0.006 . 1 . . . . 103 ILE HA . 19014 1 1248 . 1 1 103 103 ILE HB H 1 1.342 0.003 . 1 . . . . 103 ILE HB . 19014 1 1249 . 1 1 103 103 ILE HG12 H 1 0.618 0.008 . 2 . . . . 103 ILE HG12 . 19014 1 1250 . 1 1 103 103 ILE HG13 H 1 1.439 0.004 . 2 . . . . 103 ILE HG13 . 19014 1 1251 . 1 1 103 103 ILE HG21 H 1 0.656 0.003 . 1 . . . . 103 ILE HG21 . 19014 1 1252 . 1 1 103 103 ILE HG22 H 1 0.656 0.003 . 1 . . . . 103 ILE HG22 . 19014 1 1253 . 1 1 103 103 ILE HG23 H 1 0.656 0.003 . 1 . . . . 103 ILE HG23 . 19014 1 1254 . 1 1 103 103 ILE HD11 H 1 0.557 0.005 . 1 . . . . 103 ILE HD11 . 19014 1 1255 . 1 1 103 103 ILE HD12 H 1 0.557 0.005 . 1 . . . . 103 ILE HD12 . 19014 1 1256 . 1 1 103 103 ILE HD13 H 1 0.557 0.005 . 1 . . . . 103 ILE HD13 . 19014 1 1257 . 1 1 103 103 ILE C C 13 174.878 0.017 . 1 . . . . 103 ILE C . 19014 1 1258 . 1 1 103 103 ILE CA C 13 60.377 0.015 . 1 . . . . 103 ILE CA . 19014 1 1259 . 1 1 103 103 ILE CB C 13 40.484 0.023 . 1 . . . . 103 ILE CB . 19014 1 1260 . 1 1 103 103 ILE CG1 C 13 26.938 0.016 . 1 . . . . 103 ILE CG1 . 19014 1 1261 . 1 1 103 103 ILE CG2 C 13 19.233 0.014 . 1 . . . . 103 ILE CG2 . 19014 1 1262 . 1 1 103 103 ILE CD1 C 13 13.827 0.043 . 1 . . . . 103 ILE CD1 . 19014 1 1263 . 1 1 103 103 ILE N N 15 117.973 0.020 . 1 . . . . 103 ILE N . 19014 1 1264 . 1 1 104 104 LYS H H 1 8.847 0.003 . 1 . . . . 104 LYS H . 19014 1 1265 . 1 1 104 104 LYS HA H 1 4.757 0.006 . 1 . . . . 104 LYS HA . 19014 1 1266 . 1 1 104 104 LYS HB2 H 1 1.304 0.005 . 2 . . . . 104 LYS HB2 . 19014 1 1267 . 1 1 104 104 LYS HB3 H 1 1.865 0.005 . 2 . . . . 104 LYS HB3 . 19014 1 1268 . 1 1 104 104 LYS HG2 H 1 1.523 0.010 . 2 . . . . 104 LYS HG2 . 19014 1 1269 . 1 1 104 104 LYS HG3 H 1 1.385 0.006 . 2 . . . . 104 LYS HG3 . 19014 1 1270 . 1 1 104 104 LYS HD2 H 1 1.643 0.007 . 2 . . . . 104 LYS HD2 . 19014 1 1271 . 1 1 104 104 LYS HD3 H 1 1.575 0.004 . 2 . . . . 104 LYS HD3 . 19014 1 1272 . 1 1 104 104 LYS HE2 H 1 3.115 0.002 . 2 . . . . 104 LYS HE2 . 19014 1 1273 . 1 1 104 104 LYS HE3 H 1 3.012 0.003 . 2 . . . . 104 LYS HE3 . 19014 1 1274 . 1 1 104 104 LYS C C 13 175.779 0.000 . 1 . . . . 104 LYS C . 19014 1 1275 . 1 1 104 104 LYS CA C 13 53.998 0.028 . 1 . . . . 104 LYS CA . 19014 1 1276 . 1 1 104 104 LYS CB C 13 36.541 0.033 . 1 . . . . 104 LYS CB . 19014 1 1277 . 1 1 104 104 LYS CG C 13 24.680 0.035 . 1 . . . . 104 LYS CG . 19014 1 1278 . 1 1 104 104 LYS CD C 13 29.161 0.033 . 1 . . . . 104 LYS CD . 19014 1 1279 . 1 1 104 104 LYS CE C 13 41.120 0.030 . 1 . . . . 104 LYS CE . 19014 1 1280 . 1 1 104 104 LYS N N 15 124.070 0.059 . 1 . . . . 104 LYS N . 19014 1 1281 . 1 1 105 105 ARG H H 1 8.872 0.003 . 1 . . . . 105 ARG H . 19014 1 1282 . 1 1 105 105 ARG HA H 1 4.374 0.005 . 1 . . . . 105 ARG HA . 19014 1 1283 . 1 1 105 105 ARG HB2 H 1 1.623 0.006 . 2 . . . . 105 ARG HB2 . 19014 1 1284 . 1 1 105 105 ARG HB3 H 1 1.715 0.005 . 2 . . . . 105 ARG HB3 . 19014 1 1285 . 1 1 105 105 ARG HG2 H 1 1.638 0.003 . 2 . . . . 105 ARG HG2 . 19014 1 1286 . 1 1 105 105 ARG HG3 H 1 1.527 0.006 . 2 . . . . 105 ARG HG3 . 19014 1 1287 . 1 1 105 105 ARG HD2 H 1 3.102 0.007 . 1 . . . . 105 ARG HD2 . 19014 1 1288 . 1 1 105 105 ARG HD3 H 1 3.102 0.007 . 1 . . . . 105 ARG HD3 . 19014 1 1289 . 1 1 105 105 ARG HE H 1 7.398 0.003 . 1 . . . . 105 ARG HE . 19014 1 1290 . 1 1 105 105 ARG C C 13 176.516 0.005 . 1 . . . . 105 ARG C . 19014 1 1291 . 1 1 105 105 ARG CA C 13 56.881 0.020 . 1 . . . . 105 ARG CA . 19014 1 1292 . 1 1 105 105 ARG CB C 13 30.303 0.033 . 1 . . . . 105 ARG CB . 19014 1 1293 . 1 1 105 105 ARG CG C 13 28.935 0.039 . 1 . . . . 105 ARG CG . 19014 1 1294 . 1 1 105 105 ARG CD C 13 42.899 0.033 . 1 . . . . 105 ARG CD . 19014 1 1295 . 1 1 105 105 ARG N N 15 121.909 0.017 . 1 . . . . 105 ARG N . 19014 1 1296 . 1 1 105 105 ARG NE N 15 84.663 0.020 . 1 . . . . 105 ARG NE . 19014 1 1297 . 1 1 106 106 LYS H H 1 8.278 0.004 . 1 . . . . 106 LYS H . 19014 1 1298 . 1 1 106 106 LYS HA H 1 4.140 0.003 . 1 . . . . 106 LYS HA . 19014 1 1299 . 1 1 106 106 LYS HB2 H 1 1.384 0.004 . 2 . . . . 106 LYS HB2 . 19014 1 1300 . 1 1 106 106 LYS HB3 H 1 1.598 0.006 . 2 . . . . 106 LYS HB3 . 19014 1 1301 . 1 1 106 106 LYS HG2 H 1 1.383 0.004 . 2 . . . . 106 LYS HG2 . 19014 1 1302 . 1 1 106 106 LYS HG3 H 1 1.168 0.003 . 2 . . . . 106 LYS HG3 . 19014 1 1303 . 1 1 106 106 LYS HD2 H 1 1.663 0.004 . 1 . . . . 106 LYS HD2 . 19014 1 1304 . 1 1 106 106 LYS HD3 H 1 1.663 0.004 . 1 . . . . 106 LYS HD3 . 19014 1 1305 . 1 1 106 106 LYS HE2 H 1 2.869 0.002 . 1 . . . . 106 LYS HE2 . 19014 1 1306 . 1 1 106 106 LYS HE3 H 1 2.869 0.002 . 1 . . . . 106 LYS HE3 . 19014 1 1307 . 1 1 106 106 LYS C C 13 174.406 0.000 . 1 . . . . 106 LYS C . 19014 1 1308 . 1 1 106 106 LYS CA C 13 54.996 0.011 . 1 . . . . 106 LYS CA . 19014 1 1309 . 1 1 106 106 LYS CB C 13 32.678 0.026 . 1 . . . . 106 LYS CB . 19014 1 1310 . 1 1 106 106 LYS CG C 13 25.284 0.024 . 1 . . . . 106 LYS CG . 19014 1 1311 . 1 1 106 106 LYS CD C 13 29.392 0.028 . 1 . . . . 106 LYS CD . 19014 1 1312 . 1 1 106 106 LYS CE C 13 41.929 0.005 . 1 . . . . 106 LYS CE . 19014 1 1313 . 1 1 106 106 LYS N N 15 125.544 0.031 . 1 . . . . 106 LYS N . 19014 1 1314 . 1 1 107 107 PRO HA H 1 4.373 0.003 . 1 . . . . 107 PRO HA . 19014 1 1315 . 1 1 107 107 PRO HB2 H 1 2.237 0.004 . 2 . . . . 107 PRO HB2 . 19014 1 1316 . 1 1 107 107 PRO HB3 H 1 1.906 0.007 . 2 . . . . 107 PRO HB3 . 19014 1 1317 . 1 1 107 107 PRO HG2 H 1 1.987 0.004 . 1 . . . . 107 PRO HG2 . 19014 1 1318 . 1 1 107 107 PRO HG3 H 1 1.987 0.004 . 1 . . . . 107 PRO HG3 . 19014 1 1319 . 1 1 107 107 PRO HD2 H 1 3.804 0.005 . 2 . . . . 107 PRO HD2 . 19014 1 1320 . 1 1 107 107 PRO HD3 H 1 3.596 0.002 . 2 . . . . 107 PRO HD3 . 19014 1 1321 . 1 1 107 107 PRO C C 13 175.829 0.001 . 1 . . . . 107 PRO C . 19014 1 1322 . 1 1 107 107 PRO CA C 13 63.277 0.005 . 1 . . . . 107 PRO CA . 19014 1 1323 . 1 1 107 107 PRO CB C 13 31.924 0.008 . 1 . . . . 107 PRO CB . 19014 1 1324 . 1 1 107 107 PRO CG C 13 27.224 0.019 . 1 . . . . 107 PRO CG . 19014 1 1325 . 1 1 107 107 PRO CD C 13 50.789 0.013 . 1 . . . . 107 PRO CD . 19014 1 1326 . 1 1 108 108 HIS H H 1 7.980 0.002 . 1 . . . . 108 HIS H . 19014 1 1327 . 1 1 108 108 HIS HA H 1 4.406 0.005 . 1 . . . . 108 HIS HA . 19014 1 1328 . 1 1 108 108 HIS HB2 H 1 3.050 0.006 . 2 . . . . 108 HIS HB2 . 19014 1 1329 . 1 1 108 108 HIS HB3 H 1 3.138 0.008 . 2 . . . . 108 HIS HB3 . 19014 1 1330 . 1 1 108 108 HIS HD2 H 1 7.121 0.000 . 1 . . . . 108 HIS HD2 . 19014 1 1331 . 1 1 108 108 HIS HE1 H 1 8.265 0.000 . 1 . . . . 108 HIS HE1 . 19014 1 1332 . 1 1 108 108 HIS C C 13 179.223 0.000 . 1 . . . . 108 HIS C . 19014 1 1333 . 1 1 108 108 HIS CA C 13 57.024 0.008 . 1 . . . . 108 HIS CA . 19014 1 1334 . 1 1 108 108 HIS CB C 13 30.427 0.004 . 1 . . . . 108 HIS CB . 19014 1 1335 . 1 1 108 108 HIS CD2 C 13 119.942 0.000 . 1 . . . . 108 HIS CD2 . 19014 1 1336 . 1 1 108 108 HIS CE1 C 13 136.443 0.000 . 1 . . . . 108 HIS CE1 . 19014 1 1337 . 1 1 108 108 HIS N N 15 124.257 0.017 . 1 . . . . 108 HIS N . 19014 1 stop_ save_