data_17978 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17978 _Entry.Title ; Backbone and sidechain 1H, 13C and 15N chemical shift assignments of the hydrophobin MPG1 from the rice blast fungus Magnaporthe oryzae ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-10-06 _Entry.Accession_date 2011-10-06 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Anthony Rey . A. . 17978 2 Ann Kwan . H. . 17978 3 Margaret Sunde . . . 17978 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'School of Molecular Bioscience, University of Sydney, Australia' . 17978 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17978 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 382 17978 '15N chemical shifts' 103 17978 '1H chemical shifts' 645 17978 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 2 . . 2013-03-12 2011-10-06 update BMRB 'update entry citation' 17978 1 . . 2012-06-05 2011-10-06 original author 'original release' 17978 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17978 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22610311 _Citation.Full_citation . _Citation.Title 'Backbone and sidechain (1)H, (13)C and (15)N chemical shift assignments of the hydrophobin MPG1 from the rice blast fungus Magnaporthe oryzae.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 7 _Citation.Journal_issue 1 _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 109 _Citation.Page_last 112 _Citation.Year 2013 _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 Anthony Rey . A. . 17978 1 2 Antoine Hocher . . . 17978 1 3 Ann Kwan . H. . 17978 1 4 Margaret Sunde . . . 17978 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'functional amyloid' 17978 1 hydrophobin 17978 1 MPG1 17978 1 NMR 17978 1 'protein assembly' 17978 1 'rice blast' 17978 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17978 _Assembly.ID 1 _Assembly.Name MPG1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 9863.39 _Assembly.Enzyme_commission_number . _Assembly.Details MPG1 _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 MPG1 1 $MPG1 A . yes native no no . . . 17978 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 19 19 SG . 1 . 1 CYS 77 77 SG . . . . . . . . . . 17978 1 2 disulfide single . 1 . 1 CYS 27 27 SG . 1 . 1 CYS 71 71 SG . . . . . . . . . . 17978 1 3 disulfide single . 1 . 1 CYS 28 28 SG . 1 . 1 CYS 51 51 SG . . . . . . . . . . 17978 1 4 disulfide single . 1 . 1 CYS 78 78 SG . 1 . 1 CYS 90 90 SG . . . . . . . . . . 17978 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'coats fungal structures' 17978 1 'reduces surface tension' 17978 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MPG1 _Entity.Sf_category entity _Entity.Sf_framecode MPG1 _Entity.Entry_ID 17978 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MPG1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SAIPAPGEGPSVSMAQQKCG AEKVVSCCNSKELKNSKSGA EIPIDVLSGECKNIPINILT INQLIPINNFCSDTVSCCSG EQIGLVNIQCTPILS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residue 1 (S1) is an artifact from cloning.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 95 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9863.39 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; Disulfide linkages are as follows: single disulfide MPG1 19 CYS SG MPG1 77 CYS SG; single disulfide MPG1 27 CYS SG MPG1 71 CYS SG; single disulfide MPG1 28 CYS SG MPG1 51 CYS SG; single disulfide MPG1 78 CYS SG MPG1 90 CYS SG; ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no GB AAA20128 . "hydrophobin-like protein [Magnaporthe grisea]" . . . . . 98.95 112 100.00 100.00 1.03e-57 . . . . 17978 1 2 no GB AAX53646 . "hydrophobin, partial [Magnaporthe oryzae]" . . . . . 67.37 64 100.00 100.00 2.01e-34 . . . . 17978 1 3 no GB AAX53647 . "hydrophobin, partial [Magnaporthe oryzae]" . . . . . 67.37 64 100.00 100.00 2.01e-34 . . . . 17978 1 4 no GB AAX53648 . "hydrophobin, partial [Magnaporthe oryzae]" . . . . . 67.37 64 100.00 100.00 2.01e-34 . . . . 17978 1 5 no GB AAX53649 . "hydrophobin, partial [Magnaporthe oryzae]" . . . . . 67.37 64 100.00 100.00 2.01e-34 . . . . 17978 1 6 no REF XP_003720513 . "hydrophobin-like protein MPG1 [Magnaporthe oryzae 70-15]" . . . . . 98.95 112 100.00 100.00 1.03e-57 . . . . 17978 1 7 no SP P52751 . "RecName: Full=Hydrophobin-like protein MPG1; Flags: Precursor [Magnaporthe oryzae 70-15]" . . . . . 98.95 112 100.00 100.00 1.03e-57 . . . . 17978 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Fungal coat protein' 17978 1 'Reduce surface tension' 17978 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 . 17978 1 2 . ALA . 17978 1 3 . ILE . 17978 1 4 . PRO . 17978 1 5 . ALA . 17978 1 6 . PRO . 17978 1 7 . GLY . 17978 1 8 . GLU . 17978 1 9 . GLY . 17978 1 10 . PRO . 17978 1 11 . SER . 17978 1 12 . VAL . 17978 1 13 . SER . 17978 1 14 . MET . 17978 1 15 . ALA . 17978 1 16 . GLN . 17978 1 17 . GLN . 17978 1 18 . LYS . 17978 1 19 . CYS . 17978 1 20 . GLY . 17978 1 21 . ALA . 17978 1 22 . GLU . 17978 1 23 . LYS . 17978 1 24 . VAL . 17978 1 25 . VAL . 17978 1 26 . SER . 17978 1 27 . CYS . 17978 1 28 . CYS . 17978 1 29 . ASN . 17978 1 30 . SER . 17978 1 31 . LYS . 17978 1 32 . GLU . 17978 1 33 . LEU . 17978 1 34 . LYS . 17978 1 35 . ASN . 17978 1 36 . SER . 17978 1 37 . LYS . 17978 1 38 . SER . 17978 1 39 . GLY . 17978 1 40 . ALA . 17978 1 41 . GLU . 17978 1 42 . ILE . 17978 1 43 . PRO . 17978 1 44 . ILE . 17978 1 45 . ASP . 17978 1 46 . VAL . 17978 1 47 . LEU . 17978 1 48 . SER . 17978 1 49 . GLY . 17978 1 50 . GLU . 17978 1 51 . CYS . 17978 1 52 . LYS . 17978 1 53 . ASN . 17978 1 54 . ILE . 17978 1 55 . PRO . 17978 1 56 . ILE . 17978 1 57 . ASN . 17978 1 58 . ILE . 17978 1 59 . LEU . 17978 1 60 . THR . 17978 1 61 . ILE . 17978 1 62 . ASN . 17978 1 63 . GLN . 17978 1 64 . LEU . 17978 1 65 . ILE . 17978 1 66 . PRO . 17978 1 67 . ILE . 17978 1 68 . ASN . 17978 1 69 . ASN . 17978 1 70 . PHE . 17978 1 71 . CYS . 17978 1 72 . SER . 17978 1 73 . ASP . 17978 1 74 . THR . 17978 1 75 . VAL . 17978 1 76 . SER . 17978 1 77 . CYS . 17978 1 78 . CYS . 17978 1 79 . SER . 17978 1 80 . GLY . 17978 1 81 . GLU . 17978 1 82 . GLN . 17978 1 83 . ILE . 17978 1 84 . GLY . 17978 1 85 . LEU . 17978 1 86 . VAL . 17978 1 87 . ASN . 17978 1 88 . ILE . 17978 1 89 . GLN . 17978 1 90 . CYS . 17978 1 91 . THR . 17978 1 92 . PRO . 17978 1 93 . ILE . 17978 1 94 . LEU . 17978 1 95 . SER . 17978 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 17978 1 . ALA 2 2 17978 1 . ILE 3 3 17978 1 . PRO 4 4 17978 1 . ALA 5 5 17978 1 . PRO 6 6 17978 1 . GLY 7 7 17978 1 . GLU 8 8 17978 1 . GLY 9 9 17978 1 . PRO 10 10 17978 1 . SER 11 11 17978 1 . VAL 12 12 17978 1 . SER 13 13 17978 1 . MET 14 14 17978 1 . ALA 15 15 17978 1 . GLN 16 16 17978 1 . GLN 17 17 17978 1 . LYS 18 18 17978 1 . CYS 19 19 17978 1 . GLY 20 20 17978 1 . ALA 21 21 17978 1 . GLU 22 22 17978 1 . LYS 23 23 17978 1 . VAL 24 24 17978 1 . VAL 25 25 17978 1 . SER 26 26 17978 1 . CYS 27 27 17978 1 . CYS 28 28 17978 1 . ASN 29 29 17978 1 . SER 30 30 17978 1 . LYS 31 31 17978 1 . GLU 32 32 17978 1 . LEU 33 33 17978 1 . LYS 34 34 17978 1 . ASN 35 35 17978 1 . SER 36 36 17978 1 . LYS 37 37 17978 1 . SER 38 38 17978 1 . GLY 39 39 17978 1 . ALA 40 40 17978 1 . GLU 41 41 17978 1 . ILE 42 42 17978 1 . PRO 43 43 17978 1 . ILE 44 44 17978 1 . ASP 45 45 17978 1 . VAL 46 46 17978 1 . LEU 47 47 17978 1 . SER 48 48 17978 1 . GLY 49 49 17978 1 . GLU 50 50 17978 1 . CYS 51 51 17978 1 . LYS 52 52 17978 1 . ASN 53 53 17978 1 . ILE 54 54 17978 1 . PRO 55 55 17978 1 . ILE 56 56 17978 1 . ASN 57 57 17978 1 . ILE 58 58 17978 1 . LEU 59 59 17978 1 . THR 60 60 17978 1 . ILE 61 61 17978 1 . ASN 62 62 17978 1 . GLN 63 63 17978 1 . LEU 64 64 17978 1 . ILE 65 65 17978 1 . PRO 66 66 17978 1 . ILE 67 67 17978 1 . ASN 68 68 17978 1 . ASN 69 69 17978 1 . PHE 70 70 17978 1 . CYS 71 71 17978 1 . SER 72 72 17978 1 . ASP 73 73 17978 1 . THR 74 74 17978 1 . VAL 75 75 17978 1 . SER 76 76 17978 1 . CYS 77 77 17978 1 . CYS 78 78 17978 1 . SER 79 79 17978 1 . GLY 80 80 17978 1 . GLU 81 81 17978 1 . GLN 82 82 17978 1 . ILE 83 83 17978 1 . GLY 84 84 17978 1 . LEU 85 85 17978 1 . VAL 86 86 17978 1 . ASN 87 87 17978 1 . ILE 88 88 17978 1 . GLN 89 89 17978 1 . CYS 90 90 17978 1 . THR 91 91 17978 1 . PRO 92 92 17978 1 . ILE 93 93 17978 1 . LEU 94 94 17978 1 . SER 95 95 17978 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 17978 _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 $MPG1 . 318829 organism . 'Magnaporthe oryzae' 'rice blast fungus' . . Eukaryota Fungi Magnaporthe oryzae . . . . . . . . . . . . . . . . mpg1 . 'Involved in rice blast infection.' . . 17978 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 17978 _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 $MPG1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pHUE-MPG1 . . . ; MPG1 was synthesized and was cloned into the pHUE vector. This vector produced recombinant MPG1 fused to the C terminus of human ubiquitin, with an His6 tag at the N-terminus of the fusion protein. His6 ubiquitin tag is removed from the fusion leaving MPG1 with the additional Serine (S1) at the N-terminus. ; . . 17978 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N-MPG1 _Sample.Sf_category sample _Sample.Sf_framecode 15N-MPG1 _Sample.Entry_ID 17978 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 15N-MPG1 _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 MPG1 '[U-98% 15N]' . . 1 $MPG1 . . 300-400 . . uM . . . . 17978 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17978 1 3 D2O [U-2H] . . . . . . 5 . . % . . . . 17978 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17978 1 5 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 17978 1 stop_ save_ save_15N13C-MPG1 _Sample.Sf_category sample _Sample.Sf_framecode 15N13C-MPG1 _Sample.Entry_ID 17978 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 15N13C-MPG1 _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 MPG1 '[U-98% 13C; U-98% 15N]' . . 1 $MPG1 . . 300-400 . . uM . . . . 17978 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17978 2 3 chloramphenicol 'natural abundance' . . . . . . 20 . . uM . . . . 17978 2 4 'complete EDTA protease cocktail tablet' 'natural abundance' . . . . . . 0.63 . . mg/mL . . . . 17978 2 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17978 2 6 D2O '[U-99% 2H]' . . . . . . 5 . . % . . . . 17978 2 7 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 17978 2 stop_ save_ save_15N13C-MPG1_D2O _Sample.Sf_category sample _Sample.Sf_framecode 15N13C-MPG1_D2O _Sample.Entry_ID 17978 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N13C-MPG1 D2O' _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 MPG1 '[U-98% 13C; U-98% 15N]' . . 1 $MPG1 . . 300-400 . . uM . . . . 17978 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17978 3 3 chloramphenicol 'natural abundance' . . . . . . 20 . . uM . . . . 17978 3 4 'complete EDTA protease cocktail tablet' 'natural abundance' . . . . . . 0.63 . . mg/mL . . . . 17978 3 5 D2O '[U-99% 2H]' . . . . . . 100 . . % . . . . 17978 3 6 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 17978 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17978 _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' 50 . mM 17978 1 pH 5.5 . pH 17978 1 pressure 1 . atm 17978 1 temperature 298 . K 17978 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17978 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details Bruker loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17978 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17978 1 processing 17978 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17978 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17978 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17978 2 'peak picking' 17978 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17978 _Software.ID 3 _Software.Name TALOS _Software.Version TALOS+ _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17978 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17978 3 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 17978 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17978 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17978 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 17978 1 2 spectrometer_2 Bruker Avance . 600 . . . 17978 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 17978 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $15N13C-MPG1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17978 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $15N13C-MPG1_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17978 1 3 '3D HNCACB' no . . . . . . . . . . 2 $15N13C-MPG1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17978 1 4 '3D HN(CA)CO' no . . . . . . . . . . 2 $15N13C-MPG1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17978 1 5 '3D CC(CO)NH' no . . . . . . . . . . 2 $15N13C-MPG1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17978 1 6 '3D HC(CO)NH' no . . . . . . . . . . 2 $15N13C-MPG1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17978 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $15N13C-MPG1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17978 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $15N13C-MPG1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17978 1 9 '3D CCH-TOCSY' no . . . . . . . . . . 3 $15N13C-MPG1_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17978 1 10 '3D HNCO' no . . . . . . . . . . 2 $15N13C-MPG1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17978 1 11 '3D HCAN' no . . . . . . . . . . 3 $15N13C-MPG1_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17978 1 12 '3D HCA(CO)N' no . . . . . . . . . . 3 $15N13C-MPG1_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17978 1 13 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 3 $15N13C-MPG1_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17978 1 14 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $15N13C-MPG1_D2O isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17978 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 17978 _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 . . . . . . . . . 17978 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17978 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17978 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 17978 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17978 1 2 '2D 1H-13C HSQC' . . . 17978 1 3 '3D HNCACB' . . . 17978 1 4 '3D HN(CA)CO' . . . 17978 1 5 '3D CC(CO)NH' . . . 17978 1 6 '3D HC(CO)NH' . . . 17978 1 7 '3D CBCA(CO)NH' . . . 17978 1 8 '3D 1H-15N NOESY' . . . 17978 1 9 '3D CCH-TOCSY' . . . 17978 1 10 '3D HNCO' . . . 17978 1 11 '3D HCAN' . . . 17978 1 12 '3D HCA(CO)N' . . . 17978 1 13 '3D 1H-13C NOESY aliphatic' . . . 17978 1 14 '3D HCCH-TOCSY' . . . 17978 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 4.057 0.003 . 1 . . . . 1 SER HA . 17978 1 2 . 1 1 1 1 SER HB2 H 1 3.912 0.001 . 2 . . . . 1 SER HB2 . 17978 1 3 . 1 1 1 1 SER HB3 H 1 3.876 0.001 . 2 . . . . 1 SER HB3 . 17978 1 4 . 1 1 1 1 SER C C 13 170.452 0.014 . 1 . . . . 1 SER C . 17978 1 5 . 1 1 1 1 SER CA C 13 57.172 0.163 . 1 . . . . 1 SER CA . 17978 1 6 . 1 1 1 1 SER CB C 13 63.131 0.035 . 1 . . . . 1 SER CB . 17978 1 7 . 1 1 2 2 ALA H H 1 8.613 0.002 . 1 . . . . 2 ALA HN . 17978 1 8 . 1 1 2 2 ALA HA H 1 4.322 0.004 . 1 . . . . 2 ALA HA . 17978 1 9 . 1 1 2 2 ALA HB1 H 1 1.292 0.004 . 1 . . . . 2 ALA QB . 17978 1 10 . 1 1 2 2 ALA HB2 H 1 1.292 0.004 . 1 . . . . 2 ALA QB . 17978 1 11 . 1 1 2 2 ALA HB3 H 1 1.292 0.004 . 1 . . . . 2 ALA QB . 17978 1 12 . 1 1 2 2 ALA C C 13 177.233 0.008 . 1 . . . . 2 ALA C . 17978 1 13 . 1 1 2 2 ALA CA C 13 52.406 0.126 . 1 . . . . 2 ALA CA . 17978 1 14 . 1 1 2 2 ALA CB C 13 19.232 0.045 . 1 . . . . 2 ALA CB . 17978 1 15 . 1 1 2 2 ALA N N 15 125.132 0.064 . 1 . . . . 2 ALA N . 17978 1 16 . 1 1 3 3 ILE H H 1 8.136 0.002 . 1 . . . . 3 ILE HN . 17978 1 17 . 1 1 3 3 ILE HA H 1 4.367 0.002 . 1 . . . . 3 ILE HA . 17978 1 18 . 1 1 3 3 ILE HB H 1 1.768 0.001 . 1 . . . . 3 ILE HB . 17978 1 19 . 1 1 3 3 ILE HG12 H 1 1.434 0.001 . 2 . . . . 3 ILE HG12 . 17978 1 20 . 1 1 3 3 ILE HG13 H 1 1.101 0.002 . 2 . . . . 3 ILE HG13 . 17978 1 21 . 1 1 3 3 ILE HG21 H 1 0.878 0.001 . 1 . . . . 3 ILE QG2 . 17978 1 22 . 1 1 3 3 ILE HG22 H 1 0.878 0.001 . 1 . . . . 3 ILE QG2 . 17978 1 23 . 1 1 3 3 ILE HG23 H 1 0.878 0.001 . 1 . . . . 3 ILE QG2 . 17978 1 24 . 1 1 3 3 ILE HD11 H 1 0.787 0.001 . 1 . . . . 3 ILE QD1 . 17978 1 25 . 1 1 3 3 ILE HD12 H 1 0.787 0.001 . 1 . . . . 3 ILE QD1 . 17978 1 26 . 1 1 3 3 ILE HD13 H 1 0.787 0.001 . 1 . . . . 3 ILE QD1 . 17978 1 27 . 1 1 3 3 ILE CA C 13 58.581 0.048 . 1 . . . . 3 ILE CA . 17978 1 28 . 1 1 3 3 ILE CB C 13 38.707 0.077 . 1 . . . . 3 ILE CB . 17978 1 29 . 1 1 3 3 ILE CG1 C 13 26.905 0.035 . 1 . . . . 3 ILE CG1 . 17978 1 30 . 1 1 3 3 ILE CG2 C 13 16.998 0.021 . 1 . . . . 3 ILE CG2 . 17978 1 31 . 1 1 3 3 ILE CD1 C 13 12.703 0.044 . 1 . . . . 3 ILE CD1 . 17978 1 32 . 1 1 3 3 ILE N N 15 122.225 0.097 . 1 . . . . 3 ILE N . 17978 1 33 . 1 1 4 4 PRO HA H 1 4.292 0.002 . 1 . . . . 4 PRO HA . 17978 1 34 . 1 1 4 4 PRO HB2 H 1 2.179 0.001 . 2 . . . . 4 PRO HB2 . 17978 1 35 . 1 1 4 4 PRO HB3 H 1 1.791 0.002 . 2 . . . . 4 PRO HB3 . 17978 1 36 . 1 1 4 4 PRO HG2 H 1 1.945 0.001 . 2 . . . . 4 PRO HG2 . 17978 1 37 . 1 1 4 4 PRO HG3 H 1 1.882 0.001 . 2 . . . . 4 PRO HG3 . 17978 1 38 . 1 1 4 4 PRO HD2 H 1 3.812 0.002 . 2 . . . . 4 PRO HD2 . 17978 1 39 . 1 1 4 4 PRO HD3 H 1 3.597 0.002 . 2 . . . . 4 PRO HD3 . 17978 1 40 . 1 1 4 4 PRO C C 13 176.101 0.012 . 1 . . . . 4 PRO C . 17978 1 41 . 1 1 4 4 PRO CA C 13 63.010 0.041 . 1 . . . . 4 PRO CA . 17978 1 42 . 1 1 4 4 PRO CB C 13 32.075 0.042 . 1 . . . . 4 PRO CB . 17978 1 43 . 1 1 4 4 PRO CG C 13 27.366 0.023 . 1 . . . . 4 PRO CG . 17978 1 44 . 1 1 4 4 PRO CD C 13 51.076 0.070 . 1 . . . . 4 PRO CD . 17978 1 45 . 1 1 4 4 PRO N N 15 141.508 0.013 . 1 . . . . 4 PRO N . 17978 1 46 . 1 1 5 5 ALA H H 1 8.275 0.001 . 1 . . . . 5 ALA HN . 17978 1 47 . 1 1 5 5 ALA HA H 1 4.512 0.003 . 1 . . . . 5 ALA HA . 17978 1 48 . 1 1 5 5 ALA HB1 H 1 1.277 0.001 . 1 . . . . 5 ALA QB . 17978 1 49 . 1 1 5 5 ALA HB2 H 1 1.277 0.001 . 1 . . . . 5 ALA QB . 17978 1 50 . 1 1 5 5 ALA HB3 H 1 1.277 0.001 . 1 . . . . 5 ALA QB . 17978 1 51 . 1 1 5 5 ALA C C 13 175.770 0.000 . 1 . . . . 5 ALA C . 17978 1 52 . 1 1 5 5 ALA CA C 13 50.231 0.138 . 1 . . . . 5 ALA CA . 17978 1 53 . 1 1 5 5 ALA CB C 13 18.006 0.025 . 1 . . . . 5 ALA CB . 17978 1 54 . 1 1 5 5 ALA N N 15 126.082 0.094 . 1 . . . . 5 ALA N . 17978 1 55 . 1 1 6 6 PRO HA H 1 4.306 0.006 . 1 . . . . 6 PRO HA . 17978 1 56 . 1 1 6 6 PRO HB2 H 1 2.213 0.001 . 2 . . . . 6 PRO HB2 . 17978 1 57 . 1 1 6 6 PRO HB3 H 1 1.855 0.001 . 2 . . . . 6 PRO HB3 . 17978 1 58 . 1 1 6 6 PRO HG2 H 1 1.984 0.000 . 2 . . . . 6 PRO HG2 . 17978 1 59 . 1 1 6 6 PRO HG3 H 1 1.940 0.001 . 2 . . . . 6 PRO HG3 . 17978 1 60 . 1 1 6 6 PRO HD2 H 1 3.743 0.002 . 2 . . . . 6 PRO HD2 . 17978 1 61 . 1 1 6 6 PRO HD3 H 1 3.580 0.003 . 2 . . . . 6 PRO HD3 . 17978 1 62 . 1 1 6 6 PRO C C 13 177.766 0.009 . 1 . . . . 6 PRO C . 17978 1 63 . 1 1 6 6 PRO CA C 13 63.474 0.053 . 1 . . . . 6 PRO CA . 17978 1 64 . 1 1 6 6 PRO CB C 13 31.937 0.034 . 1 . . . . 6 PRO CB . 17978 1 65 . 1 1 6 6 PRO CG C 13 27.418 0.025 . 1 . . . . 6 PRO CG . 17978 1 66 . 1 1 6 6 PRO CD C 13 50.475 0.020 . 1 . . . . 6 PRO CD . 17978 1 67 . 1 1 6 6 PRO N N 15 136.735 0.002 . 1 . . . . 6 PRO N . 17978 1 68 . 1 1 7 7 GLY H H 1 8.422 0.002 . 1 . . . . 7 GLY HN . 17978 1 69 . 1 1 7 7 GLY HA2 H 1 3.845 0.001 . 2 . . . . 7 GLY HA2 . 17978 1 70 . 1 1 7 7 GLY HA3 H 1 3.894 0.000 . 2 . . . . 7 GLY HA3 . 17978 1 71 . 1 1 7 7 GLY C C 13 174.213 0.013 . 1 . . . . 7 GLY C . 17978 1 72 . 1 1 7 7 GLY CA C 13 45.318 0.019 . 1 . . . . 7 GLY CA . 17978 1 73 . 1 1 7 7 GLY N N 15 109.701 0.125 . 1 . . . . 7 GLY N . 17978 1 74 . 1 1 8 8 GLU H H 1 8.123 0.002 . 1 . . . . 8 GLU HN . 17978 1 75 . 1 1 8 8 GLU HA H 1 4.328 0.002 . 1 . . . . 8 GLU HA . 17978 1 76 . 1 1 8 8 GLU HB2 H 1 1.911 0.002 . 2 . . . . 8 GLU HB2 . 17978 1 77 . 1 1 8 8 GLU HB3 H 1 2.077 0.001 . 2 . . . . 8 GLU HB3 . 17978 1 78 . 1 1 8 8 GLU HG2 H 1 2.250 0.002 . 2 . . . . 8 GLU QG . 17978 1 79 . 1 1 8 8 GLU HG3 H 1 2.250 0.002 . 2 . . . . 8 GLU QG . 17978 1 80 . 1 1 8 8 GLU C C 13 176.477 0.014 . 1 . . . . 8 GLU C . 17978 1 81 . 1 1 8 8 GLU CA C 13 56.191 0.062 . 1 . . . . 8 GLU CA . 17978 1 82 . 1 1 8 8 GLU CB C 13 30.436 0.026 . 1 . . . . 8 GLU CB . 17978 1 83 . 1 1 8 8 GLU CG C 13 35.392 0.000 . 1 . . . . 8 GLU CG . 17978 1 84 . 1 1 8 8 GLU N N 15 120.184 0.072 . 1 . . . . 8 GLU N . 17978 1 85 . 1 1 9 9 GLY H H 1 8.181 0.002 . 1 . . . . 9 GLY HN . 17978 1 86 . 1 1 9 9 GLY HA2 H 1 3.986 0.000 . 2 . . . . 9 GLY HA2 . 17978 1 87 . 1 1 9 9 GLY HA3 H 1 4.091 0.000 . 2 . . . . 9 GLY HA3 . 17978 1 88 . 1 1 9 9 GLY C C 13 171.088 0.000 . 1 . . . . 9 GLY C . 17978 1 89 . 1 1 9 9 GLY CA C 13 44.663 0.003 . 1 . . . . 9 GLY CA . 17978 1 90 . 1 1 9 9 GLY N N 15 108.987 0.130 . 1 . . . . 9 GLY N . 17978 1 91 . 1 1 10 10 PRO HA H 1 4.532 0.003 . 1 . . . . 10 PRO HA . 17978 1 92 . 1 1 10 10 PRO HB2 H 1 2.219 0.003 . 2 . . . . 10 PRO HB2 . 17978 1 93 . 1 1 10 10 PRO HB3 H 1 1.861 0.003 . 2 . . . . 10 PRO HB3 . 17978 1 94 . 1 1 10 10 PRO HG2 H 1 1.866 0.001 . 2 . . . . 10 PRO HG2 . 17978 1 95 . 1 1 10 10 PRO HG3 H 1 1.836 0.000 . 2 . . . . 10 PRO HG3 . 17978 1 96 . 1 1 10 10 PRO HD2 H 1 3.564 0.002 . 2 . . . . 10 PRO HD2 . 17978 1 97 . 1 1 10 10 PRO HD3 H 1 3.529 0.001 . 2 . . . . 10 PRO HD3 . 17978 1 98 . 1 1 10 10 PRO C C 13 177.233 0.007 . 1 . . . . 10 PRO C . 17978 1 99 . 1 1 10 10 PRO CA C 13 62.533 0.040 . 1 . . . . 10 PRO CA . 17978 1 100 . 1 1 10 10 PRO CB C 13 32.135 0.015 . 1 . . . . 10 PRO CB . 17978 1 101 . 1 1 10 10 PRO CG C 13 26.957 0.006 . 1 . . . . 10 PRO CG . 17978 1 102 . 1 1 10 10 PRO CD C 13 49.561 0.015 . 1 . . . . 10 PRO CD . 17978 1 103 . 1 1 10 10 PRO N N 15 132.817 0.000 . 1 . . . . 10 PRO N . 17978 1 104 . 1 1 11 11 SER H H 1 8.249 0.001 . 1 . . . . 11 SER HN . 17978 1 105 . 1 1 11 11 SER HA H 1 4.564 0.001 . 1 . . . . 11 SER HA . 17978 1 106 . 1 1 11 11 SER HB2 H 1 3.934 0.004 . 2 . . . . 11 SER HB2 . 17978 1 107 . 1 1 11 11 SER HB3 H 1 4.226 0.004 . 2 . . . . 11 SER HB3 . 17978 1 108 . 1 1 11 11 SER C C 13 174.827 0.008 . 1 . . . . 11 SER C . 17978 1 109 . 1 1 11 11 SER CA C 13 57.409 0.121 . 1 . . . . 11 SER CA . 17978 1 110 . 1 1 11 11 SER CB C 13 65.171 0.087 . 1 . . . . 11 SER CB . 17978 1 111 . 1 1 11 11 SER N N 15 118.082 0.076 . 1 . . . . 11 SER N . 17978 1 112 . 1 1 12 12 VAL H H 1 8.479 0.001 . 1 . . . . 12 VAL HN . 17978 1 113 . 1 1 12 12 VAL HA H 1 3.509 0.004 . 1 . . . . 12 VAL HA . 17978 1 114 . 1 1 12 12 VAL HB H 1 2.356 0.004 . 1 . . . . 12 VAL HB . 17978 1 115 . 1 1 12 12 VAL HG11 H 1 1.054 0.005 . 2 . . . . 12 VAL QG1 . 17978 1 116 . 1 1 12 12 VAL HG12 H 1 1.054 0.005 . 2 . . . . 12 VAL QG1 . 17978 1 117 . 1 1 12 12 VAL HG13 H 1 1.054 0.005 . 2 . . . . 12 VAL QG1 . 17978 1 118 . 1 1 12 12 VAL HG21 H 1 0.842 0.003 . 2 . . . . 12 VAL QG2 . 17978 1 119 . 1 1 12 12 VAL HG22 H 1 0.842 0.003 . 2 . . . . 12 VAL QG2 . 17978 1 120 . 1 1 12 12 VAL HG23 H 1 0.842 0.003 . 2 . . . . 12 VAL QG2 . 17978 1 121 . 1 1 12 12 VAL C C 13 177.735 0.012 . 1 . . . . 12 VAL C . 17978 1 122 . 1 1 12 12 VAL CA C 13 67.502 0.099 . 1 . . . . 12 VAL CA . 17978 1 123 . 1 1 12 12 VAL CB C 13 31.907 0.041 . 1 . . . . 12 VAL CB . 17978 1 124 . 1 1 12 12 VAL CG1 C 13 23.576 0.023 . 2 . . . . 12 VAL CG1 . 17978 1 125 . 1 1 12 12 VAL CG2 C 13 22.862 0.027 . 2 . . . . 12 VAL CG2 . 17978 1 126 . 1 1 12 12 VAL N N 15 121.720 0.070 . 1 . . . . 12 VAL N . 17978 1 127 . 1 1 13 13 SER H H 1 8.621 0.001 . 1 . . . . 13 SER HN . 17978 1 128 . 1 1 13 13 SER HA H 1 4.195 0.002 . 1 . . . . 13 SER HA . 17978 1 129 . 1 1 13 13 SER HB2 H 1 3.737 0.002 . 2 . . . . 13 SER HB2 . 17978 1 130 . 1 1 13 13 SER HB3 H 1 3.825 0.002 . 2 . . . . 13 SER HB3 . 17978 1 131 . 1 1 13 13 SER C C 13 177.616 0.020 . 1 . . . . 13 SER C . 17978 1 132 . 1 1 13 13 SER CA C 13 61.200 0.123 . 1 . . . . 13 SER CA . 17978 1 133 . 1 1 13 13 SER CB C 13 62.986 0.052 . 1 . . . . 13 SER CB . 17978 1 134 . 1 1 13 13 SER N N 15 112.543 0.089 . 1 . . . . 13 SER N . 17978 1 135 . 1 1 14 14 MET H H 1 7.856 0.002 . 1 . . . . 14 MET HN . 17978 1 136 . 1 1 14 14 MET HA H 1 4.133 0.003 . 1 . . . . 14 MET HA . 17978 1 137 . 1 1 14 14 MET HB2 H 1 2.149 0.004 . 2 . . . . 14 MET HB2 . 17978 1 138 . 1 1 14 14 MET HB3 H 1 2.084 0.004 . 2 . . . . 14 MET HB3 . 17978 1 139 . 1 1 14 14 MET HG2 H 1 2.504 0.002 . 2 . . . . 14 MET HG2 . 17978 1 140 . 1 1 14 14 MET HG3 H 1 2.543 0.001 . 2 . . . . 14 MET HG3 . 17978 1 141 . 1 1 14 14 MET HE1 H 1 2.047 0.000 . 1 . . . . 14 MET QE . 17978 1 142 . 1 1 14 14 MET HE2 H 1 2.047 0.000 . 1 . . . . 14 MET QE . 17978 1 143 . 1 1 14 14 MET HE3 H 1 2.047 0.000 . 1 . . . . 14 MET QE . 17978 1 144 . 1 1 14 14 MET C C 13 178.700 0.002 . 1 . . . . 14 MET C . 17978 1 145 . 1 1 14 14 MET CA C 13 58.225 0.048 . 1 . . . . 14 MET CA . 17978 1 146 . 1 1 14 14 MET CB C 13 32.530 0.040 . 1 . . . . 14 MET CB . 17978 1 147 . 1 1 14 14 MET CG C 13 32.519 0.015 . 1 . . . . 14 MET CG . 17978 1 148 . 1 1 14 14 MET CE C 13 17.200 0.000 . 1 . . . . 14 MET CE . 17978 1 149 . 1 1 14 14 MET N N 15 121.892 0.078 . 1 . . . . 14 MET N . 17978 1 150 . 1 1 15 15 ALA H H 1 8.422 0.002 . 1 . . . . 15 ALA HN . 17978 1 151 . 1 1 15 15 ALA HA H 1 3.873 0.002 . 1 . . . . 15 ALA HA . 17978 1 152 . 1 1 15 15 ALA HB1 H 1 1.361 0.004 . 1 . . . . 15 ALA QB . 17978 1 153 . 1 1 15 15 ALA HB2 H 1 1.361 0.004 . 1 . . . . 15 ALA QB . 17978 1 154 . 1 1 15 15 ALA HB3 H 1 1.361 0.004 . 1 . . . . 15 ALA QB . 17978 1 155 . 1 1 15 15 ALA C C 13 178.601 0.019 . 1 . . . . 15 ALA C . 17978 1 156 . 1 1 15 15 ALA CA C 13 55.285 0.056 . 1 . . . . 15 ALA CA . 17978 1 157 . 1 1 15 15 ALA CB C 13 18.144 0.040 . 1 . . . . 15 ALA CB . 17978 1 158 . 1 1 15 15 ALA N N 15 122.882 0.063 . 1 . . . . 15 ALA N . 17978 1 159 . 1 1 16 16 GLN H H 1 8.470 0.003 . 1 . . . . 16 GLN HN . 17978 1 160 . 1 1 16 16 GLN HA H 1 3.727 0.002 . 1 . . . . 16 GLN HA . 17978 1 161 . 1 1 16 16 GLN HB2 H 1 2.201 0.002 . 2 . . . . 16 GLN HB2 . 17978 1 162 . 1 1 16 16 GLN HB3 H 1 1.955 0.002 . 2 . . . . 16 GLN HB3 . 17978 1 163 . 1 1 16 16 GLN HG2 H 1 2.393 0.001 . 2 . . . . 16 GLN HG2 . 17978 1 164 . 1 1 16 16 GLN HG3 H 1 2.136 0.001 . 2 . . . . 16 GLN HG3 . 17978 1 165 . 1 1 16 16 GLN HE21 H 1 7.382 0.003 . 2 . . . . 16 GLN HE21 . 17978 1 166 . 1 1 16 16 GLN HE22 H 1 6.675 0.002 . 2 . . . . 16 GLN HE22 . 17978 1 167 . 1 1 16 16 GLN C C 13 179.590 0.008 . 1 . . . . 16 GLN C . 17978 1 168 . 1 1 16 16 GLN CA C 13 59.637 0.033 . 1 . . . . 16 GLN CA . 17978 1 169 . 1 1 16 16 GLN CB C 13 29.713 0.056 . 1 . . . . 16 GLN CB . 17978 1 170 . 1 1 16 16 GLN CG C 13 35.381 0.039 . 1 . . . . 16 GLN CG . 17978 1 171 . 1 1 16 16 GLN N N 15 115.006 0.099 . 1 . . . . 16 GLN N . 17978 1 172 . 1 1 16 16 GLN NE2 N 15 111.360 0.314 . 1 . . . . 16 GLN NE2 . 17978 1 173 . 1 1 17 17 GLN H H 1 8.009 0.002 . 1 . . . . 17 GLN HN . 17978 1 174 . 1 1 17 17 GLN HA H 1 3.928 0.003 . 1 . . . . 17 GLN HA . 17978 1 175 . 1 1 17 17 GLN HB2 H 1 2.120 0.002 . 2 . . . . 17 GLN QB . 17978 1 176 . 1 1 17 17 GLN HB3 H 1 2.120 0.002 . 2 . . . . 17 GLN QB . 17978 1 177 . 1 1 17 17 GLN HG2 H 1 2.292 0.006 . 2 . . . . 17 GLN HG2 . 17978 1 178 . 1 1 17 17 GLN HG3 H 1 2.462 0.003 . 2 . . . . 17 GLN HG3 . 17978 1 179 . 1 1 17 17 GLN HE21 H 1 7.283 0.004 . 2 . . . . 17 GLN HE21 . 17978 1 180 . 1 1 17 17 GLN HE22 H 1 6.706 0.004 . 2 . . . . 17 GLN HE22 . 17978 1 181 . 1 1 17 17 GLN C C 13 178.219 0.012 . 1 . . . . 17 GLN C . 17978 1 182 . 1 1 17 17 GLN CA C 13 58.627 0.075 . 1 . . . . 17 GLN CA . 17978 1 183 . 1 1 17 17 GLN CB C 13 28.476 0.060 . 1 . . . . 17 GLN CB . 17978 1 184 . 1 1 17 17 GLN CG C 13 34.022 0.042 . 1 . . . . 17 GLN CG . 17978 1 185 . 1 1 17 17 GLN N N 15 119.695 0.087 . 1 . . . . 17 GLN N . 17978 1 186 . 1 1 17 17 GLN NE2 N 15 111.626 0.121 . 1 . . . . 17 GLN NE2 . 17978 1 187 . 1 1 18 18 LYS H H 1 7.911 0.002 . 1 . . . . 18 LYS HN . 17978 1 188 . 1 1 18 18 LYS HA H 1 4.022 0.004 . 1 . . . . 18 LYS HA . 17978 1 189 . 1 1 18 18 LYS HB2 H 1 1.854 0.002 . 2 . . . . 18 LYS QB . 17978 1 190 . 1 1 18 18 LYS HB3 H 1 1.854 0.002 . 2 . . . . 18 LYS QB . 17978 1 191 . 1 1 18 18 LYS HG2 H 1 1.465 0.001 . 2 . . . . 18 LYS QG . 17978 1 192 . 1 1 18 18 LYS HG3 H 1 1.465 0.001 . 2 . . . . 18 LYS QG . 17978 1 193 . 1 1 18 18 LYS HD2 H 1 1.607 0.002 . 2 . . . . 18 LYS QD . 17978 1 194 . 1 1 18 18 LYS HD3 H 1 1.607 0.002 . 2 . . . . 18 LYS QD . 17978 1 195 . 1 1 18 18 LYS HE2 H 1 2.919 0.003 . 2 . . . . 18 LYS QE . 17978 1 196 . 1 1 18 18 LYS HE3 H 1 2.919 0.003 . 2 . . . . 18 LYS QE . 17978 1 197 . 1 1 18 18 LYS CA C 13 57.765 0.122 . 1 . . . . 18 LYS CA . 17978 1 198 . 1 1 18 18 LYS CB C 13 32.258 0.078 . 1 . . . . 18 LYS CB . 17978 1 199 . 1 1 18 18 LYS CG C 13 25.206 0.028 . 1 . . . . 18 LYS CG . 17978 1 200 . 1 1 18 18 LYS CD C 13 28.764 0.029 . 1 . . . . 18 LYS CD . 17978 1 201 . 1 1 18 18 LYS CE C 13 41.984 0.046 . 1 . . . . 18 LYS CE . 17978 1 202 . 1 1 18 18 LYS N N 15 118.901 0.086 . 1 . . . . 18 LYS N . 17978 1 203 . 1 1 19 19 CYS H H 1 7.901 0.001 . 1 . . . . 19 CYS HN . 17978 1 204 . 1 1 19 19 CYS HA H 1 4.701 0.005 . 1 . . . . 19 CYS HA . 17978 1 205 . 1 1 19 19 CYS HB2 H 1 2.845 0.004 . 2 . . . . 19 CYS HB2 . 17978 1 206 . 1 1 19 19 CYS HB3 H 1 2.754 0.003 . 2 . . . . 19 CYS HB3 . 17978 1 207 . 1 1 19 19 CYS C C 13 175.739 0.047 . 1 . . . . 19 CYS C . 17978 1 208 . 1 1 19 19 CYS CA C 13 54.288 0.173 . 1 . . . . 19 CYS CA . 17978 1 209 . 1 1 19 19 CYS CB C 13 45.317 0.077 . 1 . . . . 19 CYS CB . 17978 1 210 . 1 1 19 19 CYS N N 15 116.951 0.047 . 1 . . . . 19 CYS N . 17978 1 211 . 1 1 20 20 GLY H H 1 7.793 0.003 . 1 . . . . 20 GLY HN . 17978 1 212 . 1 1 20 20 GLY HA2 H 1 3.800 0.001 . 2 . . . . 20 GLY HA2 . 17978 1 213 . 1 1 20 20 GLY HA3 H 1 4.049 0.002 . 2 . . . . 20 GLY HA3 . 17978 1 214 . 1 1 20 20 GLY C C 13 173.554 0.011 . 1 . . . . 20 GLY C . 17978 1 215 . 1 1 20 20 GLY CA C 13 45.025 0.046 . 1 . . . . 20 GLY CA . 17978 1 216 . 1 1 20 20 GLY N N 15 107.624 0.136 . 1 . . . . 20 GLY N . 17978 1 217 . 1 1 21 21 ALA H H 1 8.226 0.001 . 1 . . . . 21 ALA HN . 17978 1 218 . 1 1 21 21 ALA HA H 1 4.109 0.004 . 1 . . . . 21 ALA HA . 17978 1 219 . 1 1 21 21 ALA HB1 H 1 1.350 0.001 . 1 . . . . 21 ALA QB . 17978 1 220 . 1 1 21 21 ALA HB2 H 1 1.350 0.001 . 1 . . . . 21 ALA QB . 17978 1 221 . 1 1 21 21 ALA HB3 H 1 1.350 0.001 . 1 . . . . 21 ALA QB . 17978 1 222 . 1 1 21 21 ALA C C 13 179.190 0.012 . 1 . . . . 21 ALA C . 17978 1 223 . 1 1 21 21 ALA CA C 13 53.908 0.108 . 1 . . . . 21 ALA CA . 17978 1 224 . 1 1 21 21 ALA CB C 13 19.185 0.070 . 1 . . . . 21 ALA CB . 17978 1 225 . 1 1 21 21 ALA N N 15 120.023 0.038 . 1 . . . . 21 ALA N . 17978 1 226 . 1 1 22 22 GLU H H 1 8.633 0.002 . 1 . . . . 22 GLU HN . 17978 1 227 . 1 1 22 22 GLU HA H 1 4.274 0.004 . 1 . . . . 22 GLU HA . 17978 1 228 . 1 1 22 22 GLU HB2 H 1 2.202 0.003 . 2 . . . . 22 GLU HB2 . 17978 1 229 . 1 1 22 22 GLU HB3 H 1 1.972 0.004 . 2 . . . . 22 GLU HB3 . 17978 1 230 . 1 1 22 22 GLU HG2 H 1 2.226 0.001 . 2 . . . . 22 GLU HG2 . 17978 1 231 . 1 1 22 22 GLU HG3 H 1 2.262 0.002 . 2 . . . . 22 GLU HG3 . 17978 1 232 . 1 1 22 22 GLU C C 13 175.934 0.001 . 1 . . . . 22 GLU C . 17978 1 233 . 1 1 22 22 GLU CA C 13 56.406 0.120 . 1 . . . . 22 GLU CA . 17978 1 234 . 1 1 22 22 GLU CB C 13 29.097 0.149 . 1 . . . . 22 GLU CB . 17978 1 235 . 1 1 22 22 GLU CG C 13 35.162 0.136 . 1 . . . . 22 GLU CG . 17978 1 236 . 1 1 22 22 GLU N N 15 114.969 0.103 . 1 . . . . 22 GLU N . 17978 1 237 . 1 1 23 23 LYS H H 1 7.244 0.002 . 1 . . . . 23 LYS HN . 17978 1 238 . 1 1 23 23 LYS HA H 1 4.562 0.002 . 1 . . . . 23 LYS HA . 17978 1 239 . 1 1 23 23 LYS HB2 H 1 1.641 0.001 . 2 . . . . 23 LYS HB2 . 17978 1 240 . 1 1 23 23 LYS HB3 H 1 1.505 0.001 . 2 . . . . 23 LYS HB3 . 17978 1 241 . 1 1 23 23 LYS HG2 H 1 1.087 0.001 . 2 . . . . 23 LYS HG2 . 17978 1 242 . 1 1 23 23 LYS HG3 H 1 1.321 0.002 . 2 . . . . 23 LYS HG3 . 17978 1 243 . 1 1 23 23 LYS HD2 H 1 1.478 0.002 . 2 . . . . 23 LYS QD . 17978 1 244 . 1 1 23 23 LYS HD3 H 1 1.478 0.002 . 2 . . . . 23 LYS QD . 17978 1 245 . 1 1 23 23 LYS HE2 H 1 2.849 0.002 . 2 . . . . 23 LYS QE . 17978 1 246 . 1 1 23 23 LYS HE3 H 1 2.849 0.002 . 2 . . . . 23 LYS QE . 17978 1 247 . 1 1 23 23 LYS C C 13 174.664 0.028 . 1 . . . . 23 LYS C . 17978 1 248 . 1 1 23 23 LYS CA C 13 55.113 0.110 . 1 . . . . 23 LYS CA . 17978 1 249 . 1 1 23 23 LYS CB C 13 36.431 0.064 . 1 . . . . 23 LYS CB . 17978 1 250 . 1 1 23 23 LYS CG C 13 26.295 0.049 . 1 . . . . 23 LYS CG . 17978 1 251 . 1 1 23 23 LYS CD C 13 29.457 0.057 . 1 . . . . 23 LYS CD . 17978 1 252 . 1 1 23 23 LYS CE C 13 42.305 0.060 . 1 . . . . 23 LYS CE . 17978 1 253 . 1 1 23 23 LYS N N 15 119.573 0.113 . 1 . . . . 23 LYS N . 17978 1 254 . 1 1 24 24 VAL H H 1 8.988 0.002 . 1 . . . . 24 VAL HN . 17978 1 255 . 1 1 24 24 VAL HA H 1 4.388 0.004 . 1 . . . . 24 VAL HA . 17978 1 256 . 1 1 24 24 VAL HB H 1 1.737 0.002 . 1 . . . . 24 VAL HB . 17978 1 257 . 1 1 24 24 VAL HG11 H 1 0.678 0.001 . 2 . . . . 24 VAL QG1 . 17978 1 258 . 1 1 24 24 VAL HG12 H 1 0.678 0.001 . 2 . . . . 24 VAL QG1 . 17978 1 259 . 1 1 24 24 VAL HG13 H 1 0.678 0.001 . 2 . . . . 24 VAL QG1 . 17978 1 260 . 1 1 24 24 VAL HG21 H 1 0.707 0.002 . 2 . . . . 24 VAL QG2 . 17978 1 261 . 1 1 24 24 VAL HG22 H 1 0.707 0.002 . 2 . . . . 24 VAL QG2 . 17978 1 262 . 1 1 24 24 VAL HG23 H 1 0.707 0.002 . 2 . . . . 24 VAL QG2 . 17978 1 263 . 1 1 24 24 VAL C C 13 176.919 0.009 . 1 . . . . 24 VAL C . 17978 1 264 . 1 1 24 24 VAL CA C 13 60.300 0.057 . 1 . . . . 24 VAL CA . 17978 1 265 . 1 1 24 24 VAL CB C 13 34.853 0.060 . 1 . . . . 24 VAL CB . 17978 1 266 . 1 1 24 24 VAL CG1 C 13 20.116 0.101 . 2 . . . . 24 VAL CG1 . 17978 1 267 . 1 1 24 24 VAL CG2 C 13 21.169 0.028 . 2 . . . . 24 VAL CG2 . 17978 1 268 . 1 1 24 24 VAL N N 15 117.239 0.084 . 1 . . . . 24 VAL N . 17978 1 269 . 1 1 25 25 VAL H H 1 8.786 0.002 . 1 . . . . 25 VAL HN . 17978 1 270 . 1 1 25 25 VAL HA H 1 4.383 0.004 . 1 . . . . 25 VAL HA . 17978 1 271 . 1 1 25 25 VAL HB H 1 1.935 0.002 . 1 . . . . 25 VAL HB . 17978 1 272 . 1 1 25 25 VAL HG11 H 1 0.851 0.002 . 2 . . . . 25 VAL QG1 . 17978 1 273 . 1 1 25 25 VAL HG12 H 1 0.851 0.002 . 2 . . . . 25 VAL QG1 . 17978 1 274 . 1 1 25 25 VAL HG13 H 1 0.851 0.002 . 2 . . . . 25 VAL QG1 . 17978 1 275 . 1 1 25 25 VAL HG21 H 1 0.800 0.001 . 2 . . . . 25 VAL QG2 . 17978 1 276 . 1 1 25 25 VAL HG22 H 1 0.800 0.001 . 2 . . . . 25 VAL QG2 . 17978 1 277 . 1 1 25 25 VAL HG23 H 1 0.800 0.001 . 2 . . . . 25 VAL QG2 . 17978 1 278 . 1 1 25 25 VAL C C 13 176.344 0.006 . 1 . . . . 25 VAL C . 17978 1 279 . 1 1 25 25 VAL CA C 13 63.628 0.033 . 1 . . . . 25 VAL CA . 17978 1 280 . 1 1 25 25 VAL CB C 13 30.773 0.045 . 1 . . . . 25 VAL CB . 17978 1 281 . 1 1 25 25 VAL CG1 C 13 22.179 0.022 . 2 . . . . 25 VAL CG1 . 17978 1 282 . 1 1 25 25 VAL CG2 C 13 22.379 0.012 . 2 . . . . 25 VAL CG2 . 17978 1 283 . 1 1 25 25 VAL N N 15 127.890 0.137 . 1 . . . . 25 VAL N . 17978 1 284 . 1 1 26 26 SER H H 1 9.439 0.001 . 1 . . . . 26 SER HN . 17978 1 285 . 1 1 26 26 SER HA H 1 5.001 0.002 . 1 . . . . 26 SER HA . 17978 1 286 . 1 1 26 26 SER HB2 H 1 3.277 0.002 . 2 . . . . 26 SER HB2 . 17978 1 287 . 1 1 26 26 SER HB3 H 1 3.452 0.006 . 2 . . . . 26 SER HB3 . 17978 1 288 . 1 1 26 26 SER C C 13 171.036 0.012 . 1 . . . . 26 SER C . 17978 1 289 . 1 1 26 26 SER CA C 13 57.846 0.056 . 1 . . . . 26 SER CA . 17978 1 290 . 1 1 26 26 SER CB C 13 66.933 0.125 . 1 . . . . 26 SER CB . 17978 1 291 . 1 1 26 26 SER N N 15 125.071 0.100 . 1 . . . . 26 SER N . 17978 1 292 . 1 1 27 27 CYS H H 1 9.167 0.003 . 1 . . . . 27 CYS HN . 17978 1 293 . 1 1 27 27 CYS HA H 1 5.179 0.002 . 1 . . . . 27 CYS HA . 17978 1 294 . 1 1 27 27 CYS HB2 H 1 3.279 0.002 . 2 . . . . 27 CYS HB2 . 17978 1 295 . 1 1 27 27 CYS HB3 H 1 2.636 0.003 . 2 . . . . 27 CYS HB3 . 17978 1 296 . 1 1 27 27 CYS C C 13 175.217 0.019 . 1 . . . . 27 CYS C . 17978 1 297 . 1 1 27 27 CYS CA C 13 53.477 0.084 . 1 . . . . 27 CYS CA . 17978 1 298 . 1 1 27 27 CYS CB C 13 38.403 0.043 . 1 . . . . 27 CYS CB . 17978 1 299 . 1 1 27 27 CYS N N 15 123.873 0.124 . 1 . . . . 27 CYS N . 17978 1 300 . 1 1 28 28 CYS H H 1 8.935 0.003 . 1 . . . . 28 CYS HN . 17978 1 301 . 1 1 28 28 CYS HA H 1 5.623 0.005 . 1 . . . . 28 CYS HA . 17978 1 302 . 1 1 28 28 CYS HB2 H 1 2.876 0.005 . 2 . . . . 28 CYS HB2 . 17978 1 303 . 1 1 28 28 CYS HB3 H 1 2.461 0.007 . 2 . . . . 28 CYS HB3 . 17978 1 304 . 1 1 28 28 CYS C C 13 173.060 0.035 . 1 . . . . 28 CYS C . 17978 1 305 . 1 1 28 28 CYS CA C 13 56.061 0.077 . 1 . . . . 28 CYS CA . 17978 1 306 . 1 1 28 28 CYS CB C 13 49.577 0.041 . 1 . . . . 28 CYS CB . 17978 1 307 . 1 1 28 28 CYS N N 15 127.955 0.136 . 1 . . . . 28 CYS N . 17978 1 308 . 1 1 29 29 ASN H H 1 8.926 0.002 . 1 . . . . 29 ASN HN . 17978 1 309 . 1 1 29 29 ASN HA H 1 4.807 0.002 . 1 . . . . 29 ASN HA . 17978 1 310 . 1 1 29 29 ASN HB2 H 1 2.924 0.001 . 2 . . . . 29 ASN HB2 . 17978 1 311 . 1 1 29 29 ASN HB3 H 1 2.644 0.002 . 2 . . . . 29 ASN HB3 . 17978 1 312 . 1 1 29 29 ASN HD21 H 1 7.485 0.003 . 2 . . . . 29 ASN HD21 . 17978 1 313 . 1 1 29 29 ASN HD22 H 1 6.672 0.005 . 2 . . . . 29 ASN HD22 . 17978 1 314 . 1 1 29 29 ASN C C 13 174.276 0.021 . 1 . . . . 29 ASN C . 17978 1 315 . 1 1 29 29 ASN CA C 13 51.802 0.089 . 1 . . . . 29 ASN CA . 17978 1 316 . 1 1 29 29 ASN CB C 13 37.872 0.040 . 1 . . . . 29 ASN CB . 17978 1 317 . 1 1 29 29 ASN N N 15 123.250 0.095 . 1 . . . . 29 ASN N . 17978 1 318 . 1 1 29 29 ASN ND2 N 15 110.681 0.296 . 1 . . . . 29 ASN ND2 . 17978 1 319 . 1 1 30 30 SER H H 1 7.709 0.005 . 1 . . . . 30 SER HN . 17978 1 320 . 1 1 30 30 SER HA H 1 4.541 0.002 . 1 . . . . 30 SER HA . 17978 1 321 . 1 1 30 30 SER HB2 H 1 3.725 0.003 . 2 . . . . 30 SER HB2 . 17978 1 322 . 1 1 30 30 SER HB3 H 1 3.395 0.005 . 2 . . . . 30 SER HB3 . 17978 1 323 . 1 1 30 30 SER C C 13 175.562 0.000 . 1 . . . . 30 SER C . 17978 1 324 . 1 1 30 30 SER CA C 13 56.731 0.187 . 1 . . . . 30 SER CA . 17978 1 325 . 1 1 30 30 SER CB C 13 64.842 0.069 . 1 . . . . 30 SER CB . 17978 1 326 . 1 1 30 30 SER N N 15 115.486 0.088 . 1 . . . . 30 SER N . 17978 1 327 . 1 1 31 31 LYS H H 1 9.106 0.003 . 1 . . . . 31 LYS HN . 17978 1 328 . 1 1 31 31 LYS HA H 1 3.940 0.004 . 1 . . . . 31 LYS HA . 17978 1 329 . 1 1 31 31 LYS HB2 H 1 1.781 0.004 . 2 . . . . 31 LYS HB2 . 17978 1 330 . 1 1 31 31 LYS HB3 H 1 1.723 0.003 . 2 . . . . 31 LYS HB3 . 17978 1 331 . 1 1 31 31 LYS HG2 H 1 1.377 0.003 . 2 . . . . 31 LYS QG . 17978 1 332 . 1 1 31 31 LYS HG3 H 1 1.377 0.003 . 2 . . . . 31 LYS QG . 17978 1 333 . 1 1 31 31 LYS HD2 H 1 1.607 0.003 . 2 . . . . 31 LYS QD . 17978 1 334 . 1 1 31 31 LYS HD3 H 1 1.607 0.003 . 2 . . . . 31 LYS QD . 17978 1 335 . 1 1 31 31 LYS HE2 H 1 2.916 0.004 . 2 . . . . 31 LYS QE . 17978 1 336 . 1 1 31 31 LYS HE3 H 1 2.916 0.004 . 2 . . . . 31 LYS QE . 17978 1 337 . 1 1 31 31 LYS C C 13 178.176 0.004 . 1 . . . . 31 LYS C . 17978 1 338 . 1 1 31 31 LYS CA C 13 59.242 0.121 . 1 . . . . 31 LYS CA . 17978 1 339 . 1 1 31 31 LYS CB C 13 32.011 0.028 . 1 . . . . 31 LYS CB . 17978 1 340 . 1 1 31 31 LYS CG C 13 24.727 0.048 . 1 . . . . 31 LYS CG . 17978 1 341 . 1 1 31 31 LYS CD C 13 29.048 0.066 . 1 . . . . 31 LYS CD . 17978 1 342 . 1 1 31 31 LYS CE C 13 41.810 0.059 . 1 . . . . 31 LYS CE . 17978 1 343 . 1 1 31 31 LYS N N 15 131.4 0.058 . 1 . . . . 31 LYS N . 17978 1 344 . 1 1 32 32 GLU H H 1 8.511 0.003 . 1 . . . . 32 GLU HN . 17978 1 345 . 1 1 32 32 GLU HA H 1 3.995 0.004 . 1 . . . . 32 GLU HA . 17978 1 346 . 1 1 32 32 GLU HB2 H 1 1.884 0.001 . 2 . . . . 32 GLU HB2 . 17978 1 347 . 1 1 32 32 GLU HB3 H 1 1.808 0.001 . 2 . . . . 32 GLU HB3 . 17978 1 348 . 1 1 32 32 GLU HG2 H 1 2.399 0.001 . 2 . . . . 32 GLU HG2 . 17978 1 349 . 1 1 32 32 GLU HG3 H 1 2.268 0.003 . 2 . . . . 32 GLU HG3 . 17978 1 350 . 1 1 32 32 GLU C C 13 178.620 0.020 . 1 . . . . 32 GLU C . 17978 1 351 . 1 1 32 32 GLU CA C 13 58.829 0.106 . 1 . . . . 32 GLU CA . 17978 1 352 . 1 1 32 32 GLU CB C 13 28.951 0.064 . 1 . . . . 32 GLU CB . 17978 1 353 . 1 1 32 32 GLU CG C 13 36.035 0.070 . 1 . . . . 32 GLU CG . 17978 1 354 . 1 1 32 32 GLU N N 15 118.304 0.093 . 1 . . . . 32 GLU N . 17978 1 355 . 1 1 33 33 LEU H H 1 7.376 0.002 . 1 . . . . 33 LEU HN . 17978 1 356 . 1 1 33 33 LEU HA H 1 4.020 0.002 . 1 . . . . 33 LEU HA . 17978 1 357 . 1 1 33 33 LEU HB2 H 1 1.371 0.003 . 2 . . . . 33 LEU HB2 . 17978 1 358 . 1 1 33 33 LEU HB3 H 1 1.525 0.003 . 2 . . . . 33 LEU HB3 . 17978 1 359 . 1 1 33 33 LEU HG H 1 1.392 0.001 . 1 . . . . 33 LEU HG . 17978 1 360 . 1 1 33 33 LEU HD11 H 1 0.616 0.001 . 2 . . . . 33 LEU QD1 . 17978 1 361 . 1 1 33 33 LEU HD12 H 1 0.616 0.001 . 2 . . . . 33 LEU QD1 . 17978 1 362 . 1 1 33 33 LEU HD13 H 1 0.616 0.001 . 2 . . . . 33 LEU QD1 . 17978 1 363 . 1 1 33 33 LEU HD21 H 1 0.728 0.004 . 2 . . . . 33 LEU QD2 . 17978 1 364 . 1 1 33 33 LEU HD22 H 1 0.728 0.004 . 2 . . . . 33 LEU QD2 . 17978 1 365 . 1 1 33 33 LEU HD23 H 1 0.728 0.004 . 2 . . . . 33 LEU QD2 . 17978 1 366 . 1 1 33 33 LEU C C 13 177.836 0.011 . 1 . . . . 33 LEU C . 17978 1 367 . 1 1 33 33 LEU CA C 13 56.458 0.055 . 1 . . . . 33 LEU CA . 17978 1 368 . 1 1 33 33 LEU CB C 13 42.488 0.030 . 1 . . . . 33 LEU CB . 17978 1 369 . 1 1 33 33 LEU CG C 13 27.166 0.028 . 1 . . . . 33 LEU CG . 17978 1 370 . 1 1 33 33 LEU CD1 C 13 24.100 0.032 . 2 . . . . 33 LEU CD1 . 17978 1 371 . 1 1 33 33 LEU CD2 C 13 25.871 0.101 . 2 . . . . 33 LEU CD2 . 17978 1 372 . 1 1 33 33 LEU N N 15 118.355 0.072 . 1 . . . . 33 LEU N . 17978 1 373 . 1 1 34 34 LYS H H 1 7.603 0.002 . 1 . . . . 34 LYS HN . 17978 1 374 . 1 1 34 34 LYS HA H 1 3.976 0.003 . 1 . . . . 34 LYS HA . 17978 1 375 . 1 1 34 34 LYS HB2 H 1 1.770 0.003 . 2 . . . . 34 LYS QB . 17978 1 376 . 1 1 34 34 LYS HB3 H 1 1.770 0.003 . 2 . . . . 34 LYS QB . 17978 1 377 . 1 1 34 34 LYS HG2 H 1 1.310 0.001 . 2 . . . . 34 LYS HG2 . 17978 1 378 . 1 1 34 34 LYS HG3 H 1 1.369 0.001 . 2 . . . . 34 LYS HG3 . 17978 1 379 . 1 1 34 34 LYS HD2 H 1 1.565 0.001 . 2 . . . . 34 LYS QD . 17978 1 380 . 1 1 34 34 LYS HD3 H 1 1.565 0.001 . 2 . . . . 34 LYS QD . 17978 1 381 . 1 1 34 34 LYS HE2 H 1 2.885 0.001 . 2 . . . . 34 LYS QE . 17978 1 382 . 1 1 34 34 LYS HE3 H 1 2.885 0.001 . 2 . . . . 34 LYS QE . 17978 1 383 . 1 1 34 34 LYS C C 13 176.997 0.013 . 1 . . . . 34 LYS C . 17978 1 384 . 1 1 34 34 LYS CA C 13 57.993 0.088 . 1 . . . . 34 LYS CA . 17978 1 385 . 1 1 34 34 LYS CB C 13 32.632 0.036 . 1 . . . . 34 LYS CB . 17978 1 386 . 1 1 34 34 LYS CG C 13 24.760 0.017 . 1 . . . . 34 LYS CG . 17978 1 387 . 1 1 34 34 LYS CD C 13 29.107 0.030 . 1 . . . . 34 LYS CD . 17978 1 388 . 1 1 34 34 LYS CE C 13 41.867 0.014 . 1 . . . . 34 LYS CE . 17978 1 389 . 1 1 34 34 LYS N N 15 119.116 0.063 . 1 . . . . 34 LYS N . 17978 1 390 . 1 1 35 35 ASN H H 1 7.714 0.002 . 1 . . . . 35 ASN HN . 17978 1 391 . 1 1 35 35 ASN HA H 1 4.681 0.001 . 1 . . . . 35 ASN HA . 17978 1 392 . 1 1 35 35 ASN HB2 H 1 2.847 0.007 . 2 . . . . 35 ASN HB2 . 17978 1 393 . 1 1 35 35 ASN HB3 H 1 2.632 0.003 . 2 . . . . 35 ASN HB3 . 17978 1 394 . 1 1 35 35 ASN HD21 H 1 7.523 0.002 . 2 . . . . 35 ASN HD21 . 17978 1 395 . 1 1 35 35 ASN HD22 H 1 6.874 0.004 . 2 . . . . 35 ASN HD22 . 17978 1 396 . 1 1 35 35 ASN C C 13 175.132 0.026 . 1 . . . . 35 ASN C . 17978 1 397 . 1 1 35 35 ASN CA C 13 53.057 0.094 . 1 . . . . 35 ASN CA . 17978 1 398 . 1 1 35 35 ASN CB C 13 38.965 0.060 . 1 . . . . 35 ASN CB . 17978 1 399 . 1 1 35 35 ASN N N 15 115.678 0.017 . 1 . . . . 35 ASN N . 17978 1 400 . 1 1 35 35 ASN ND2 N 15 112.831 0.073 . 1 . . . . 35 ASN ND2 . 17978 1 401 . 1 1 36 36 SER H H 1 7.492 0.003 . 1 . . . . 36 SER HN . 17978 1 402 . 1 1 36 36 SER HA H 1 4.323 0.005 . 1 . . . . 36 SER HA . 17978 1 403 . 1 1 36 36 SER HB2 H 1 3.876 0.006 . 2 . . . . 36 SER HB2 . 17978 1 404 . 1 1 36 36 SER HB3 H 1 3.821 0.007 . 2 . . . . 36 SER HB3 . 17978 1 405 . 1 1 36 36 SER C C 13 175.030 0.110 . 1 . . . . 36 SER C . 17978 1 406 . 1 1 36 36 SER CA C 13 58.713 0.059 . 1 . . . . 36 SER CA . 17978 1 407 . 1 1 36 36 SER CB C 13 63.982 0.075 . 1 . . . . 36 SER CB . 17978 1 408 . 1 1 36 36 SER N N 15 115.657 0.129 . 1 . . . . 36 SER N . 17978 1 409 . 1 1 37 37 LYS H H 1 8.506 0.002 . 1 . . . . 37 LYS HN . 17978 1 410 . 1 1 37 37 LYS HA H 1 4.379 0.003 . 1 . . . . 37 LYS HA . 17978 1 411 . 1 1 37 37 LYS HB2 H 1 1.669 0.003 . 2 . . . . 37 LYS HB2 . 17978 1 412 . 1 1 37 37 LYS HB3 H 1 1.863 0.005 . 2 . . . . 37 LYS HB3 . 17978 1 413 . 1 1 37 37 LYS HG2 H 1 1.417 0.002 . 2 . . . . 37 LYS HG2 . 17978 1 414 . 1 1 37 37 LYS HG3 H 1 1.368 0.001 . 2 . . . . 37 LYS HG3 . 17978 1 415 . 1 1 37 37 LYS HD2 H 1 1.607 0.001 . 2 . . . . 37 LYS QD . 17978 1 416 . 1 1 37 37 LYS HD3 H 1 1.607 0.001 . 2 . . . . 37 LYS QD . 17978 1 417 . 1 1 37 37 LYS HE2 H 1 2.928 0.003 . 2 . . . . 37 LYS QE . 17978 1 418 . 1 1 37 37 LYS HE3 H 1 2.928 0.003 . 2 . . . . 37 LYS QE . 17978 1 419 . 1 1 37 37 LYS C C 13 176.880 0.018 . 1 . . . . 37 LYS C . 17978 1 420 . 1 1 37 37 LYS CA C 13 55.907 0.124 . 1 . . . . 37 LYS CA . 17978 1 421 . 1 1 37 37 LYS CB C 13 32.955 0.065 . 1 . . . . 37 LYS CB . 17978 1 422 . 1 1 37 37 LYS CG C 13 24.643 0.015 . 1 . . . . 37 LYS CG . 17978 1 423 . 1 1 37 37 LYS CD C 13 28.860 0.080 . 1 . . . . 37 LYS CD . 17978 1 424 . 1 1 37 37 LYS CE C 13 41.966 0.067 . 1 . . . . 37 LYS CE . 17978 1 425 . 1 1 37 37 LYS N N 15 124.509 0.067 . 1 . . . . 37 LYS N . 17978 1 426 . 1 1 38 38 SER H H 1 8.197 0.002 . 1 . . . . 38 SER HN . 17978 1 427 . 1 1 38 38 SER HA H 1 4.294 0.002 . 1 . . . . 38 SER HA . 17978 1 428 . 1 1 38 38 SER HB2 H 1 3.833 0.002 . 2 . . . . 38 SER HB2 . 17978 1 429 . 1 1 38 38 SER HB3 H 1 3.778 0.001 . 2 . . . . 38 SER HB3 . 17978 1 430 . 1 1 38 38 SER C C 13 175.363 0.004 . 1 . . . . 38 SER C . 17978 1 431 . 1 1 38 38 SER CA C 13 58.862 0.086 . 1 . . . . 38 SER CA . 17978 1 432 . 1 1 38 38 SER CB C 13 63.742 0.049 . 1 . . . . 38 SER CB . 17978 1 433 . 1 1 38 38 SER N N 15 115.788 0.079 . 1 . . . . 38 SER N . 17978 1 434 . 1 1 39 39 GLY H H 1 8.444 0.003 . 1 . . . . 39 GLY HN . 17978 1 435 . 1 1 39 39 GLY HA2 H 1 3.760 0.000 . 2 . . . . 39 GLY HA2 . 17978 1 436 . 1 1 39 39 GLY HA3 H 1 3.985 0.003 . 2 . . . . 39 GLY HA3 . 17978 1 437 . 1 1 39 39 GLY C C 13 173.907 0.106 . 1 . . . . 39 GLY C . 17978 1 438 . 1 1 39 39 GLY CA C 13 45.527 0.005 . 1 . . . . 39 GLY CA . 17978 1 439 . 1 1 39 39 GLY N N 15 111.880 0.112 . 1 . . . . 39 GLY N . 17978 1 440 . 1 1 40 40 ALA H H 1 7.865 0.002 . 1 . . . . 40 ALA HN . 17978 1 441 . 1 1 40 40 ALA HA H 1 4.221 0.002 . 1 . . . . 40 ALA HA . 17978 1 442 . 1 1 40 40 ALA HB1 H 1 1.306 0.004 . 1 . . . . 40 ALA QB . 17978 1 443 . 1 1 40 40 ALA HB2 H 1 1.306 0.004 . 1 . . . . 40 ALA QB . 17978 1 444 . 1 1 40 40 ALA HB3 H 1 1.306 0.004 . 1 . . . . 40 ALA QB . 17978 1 445 . 1 1 40 40 ALA C C 13 177.354 0.018 . 1 . . . . 40 ALA C . 17978 1 446 . 1 1 40 40 ALA CA C 13 52.407 0.063 . 1 . . . . 40 ALA CA . 17978 1 447 . 1 1 40 40 ALA CB C 13 19.381 0.166 . 1 . . . . 40 ALA CB . 17978 1 448 . 1 1 40 40 ALA N N 15 123.635 0.089 . 1 . . . . 40 ALA N . 17978 1 449 . 1 1 41 41 GLU H H 1 8.458 0.003 . 1 . . . . 41 GLU HN . 17978 1 450 . 1 1 41 41 GLU HA H 1 4.128 0.004 . 1 . . . . 41 GLU HA . 17978 1 451 . 1 1 41 41 GLU HB2 H 1 1.929 0.003 . 2 . . . . 41 GLU HB2 . 17978 1 452 . 1 1 41 41 GLU HB3 H 1 1.870 0.001 . 2 . . . . 41 GLU HB3 . 17978 1 453 . 1 1 41 41 GLU HG2 H 1 2.309 0.001 . 2 . . . . 41 GLU HG2 . 17978 1 454 . 1 1 41 41 GLU HG3 H 1 2.240 0.001 . 2 . . . . 41 GLU HG3 . 17978 1 455 . 1 1 41 41 GLU C C 13 175.838 0.026 . 1 . . . . 41 GLU C . 17978 1 456 . 1 1 41 41 GLU CA C 13 56.488 0.057 . 1 . . . . 41 GLU CA . 17978 1 457 . 1 1 41 41 GLU CB C 13 29.270 0.206 . 1 . . . . 41 GLU CB . 17978 1 458 . 1 1 41 41 GLU CG C 13 34.237 0.192 . 1 . . . . 41 GLU CG . 17978 1 459 . 1 1 41 41 GLU N N 15 119.229 0.092 . 1 . . . . 41 GLU N . 17978 1 460 . 1 1 42 42 ILE H H 1 8.102 0.006 . 1 . . . . 42 ILE HN . 17978 1 461 . 1 1 42 42 ILE HG21 H 1 0.711 0.001 . 1 . . . . 42 ILE QG2 . 17978 1 462 . 1 1 42 42 ILE HG22 H 1 0.711 0.001 . 1 . . . . 42 ILE QG2 . 17978 1 463 . 1 1 42 42 ILE HG23 H 1 0.711 0.001 . 1 . . . . 42 ILE QG2 . 17978 1 464 . 1 1 42 42 ILE HD11 H 1 0.777 0.000 . 1 . . . . 42 ILE QD1 . 17978 1 465 . 1 1 42 42 ILE HD12 H 1 0.777 0.000 . 1 . . . . 42 ILE QD1 . 17978 1 466 . 1 1 42 42 ILE HD13 H 1 0.777 0.000 . 1 . . . . 42 ILE QD1 . 17978 1 467 . 1 1 42 42 ILE C C 13 173.904 0.000 . 1 . . . . 42 ILE C . 17978 1 468 . 1 1 42 42 ILE CA C 13 60.824 0.000 . 1 . . . . 42 ILE CA . 17978 1 469 . 1 1 42 42 ILE CB C 13 38.711 0.000 . 1 . . . . 42 ILE CB . 17978 1 470 . 1 1 42 42 ILE CG2 C 13 18.114 0.002 . 1 . . . . 42 ILE CG2 . 17978 1 471 . 1 1 42 42 ILE N N 15 123.883 0.140 . 1 . . . . 42 ILE N . 17978 1 472 . 1 1 43 43 PRO HA H 1 4.352 0.004 . 1 . . . . 43 PRO HA . 17978 1 473 . 1 1 43 43 PRO HB2 H 1 2.199 0.000 . 2 . . . . 43 PRO HB2 . 17978 1 474 . 1 1 43 43 PRO HB3 H 1 1.999 0.000 . 2 . . . . 43 PRO HB3 . 17978 1 475 . 1 1 43 43 PRO HG2 H 1 1.822 0.000 . 2 . . . . 43 PRO HG2 . 17978 1 476 . 1 1 43 43 PRO HG3 H 1 1.950 0.002 . 2 . . . . 43 PRO HG3 . 17978 1 477 . 1 1 43 43 PRO HD2 H 1 3.607 0.002 . 2 . . . . 43 PRO HD2 . 17978 1 478 . 1 1 43 43 PRO C C 13 176.793 0.005 . 1 . . . . 43 PRO C . 17978 1 479 . 1 1 43 43 PRO CA C 13 63.065 0.035 . 1 . . . . 43 PRO CA . 17978 1 480 . 1 1 43 43 PRO CB C 13 32.071 0.014 . 1 . . . . 43 PRO CB . 17978 1 481 . 1 1 43 43 PRO CG C 13 27.359 0.000 . 1 . . . . 43 PRO CG . 17978 1 482 . 1 1 43 43 PRO CD C 13 50.978 0.000 . 1 . . . . 43 PRO CD . 17978 1 483 . 1 1 44 44 ILE H H 1 8.095 0.004 . 1 . . . . 44 ILE HN . 17978 1 484 . 1 1 44 44 ILE HA H 1 4.051 0.003 . 1 . . . . 44 ILE HA . 17978 1 485 . 1 1 44 44 ILE HB H 1 1.763 0.011 . 1 . . . . 44 ILE HB . 17978 1 486 . 1 1 44 44 ILE HG12 H 1 1.398 0.002 . 2 . . . . 44 ILE HG12 . 17978 1 487 . 1 1 44 44 ILE HG13 H 1 1.108 0.010 . 2 . . . . 44 ILE HG13 . 17978 1 488 . 1 1 44 44 ILE HG21 H 1 0.847 0.000 . 1 . . . . 44 ILE QG2 . 17978 1 489 . 1 1 44 44 ILE HG22 H 1 0.847 0.000 . 1 . . . . 44 ILE QG2 . 17978 1 490 . 1 1 44 44 ILE HG23 H 1 0.847 0.000 . 1 . . . . 44 ILE QG2 . 17978 1 491 . 1 1 44 44 ILE HD11 H 1 0.825 0.003 . 1 . . . . 44 ILE QD1 . 17978 1 492 . 1 1 44 44 ILE HD12 H 1 0.825 0.003 . 1 . . . . 44 ILE QD1 . 17978 1 493 . 1 1 44 44 ILE HD13 H 1 0.825 0.003 . 1 . . . . 44 ILE QD1 . 17978 1 494 . 1 1 44 44 ILE C C 13 175.940 0.017 . 1 . . . . 44 ILE C . 17978 1 495 . 1 1 44 44 ILE CA C 13 61.179 0.040 . 1 . . . . 44 ILE CA . 17978 1 496 . 1 1 44 44 ILE CB C 13 38.946 0.068 . 1 . . . . 44 ILE CB . 17978 1 497 . 1 1 44 44 ILE CG1 C 13 27.165 0.112 . 1 . . . . 44 ILE CG1 . 17978 1 498 . 1 1 44 44 ILE CG2 C 13 17.464 0.000 . 1 . . . . 44 ILE CG2 . 17978 1 499 . 1 1 44 44 ILE N N 15 120.935 0.049 . 1 . . . . 44 ILE N . 17978 1 500 . 1 1 45 45 ASP H H 1 8.364 0.002 . 1 . . . . 45 ASP HN . 17978 1 501 . 1 1 45 45 ASP HA H 1 4.655 0.000 . 1 . . . . 45 ASP HA . 17978 1 502 . 1 1 45 45 ASP HB2 H 1 2.722 0.002 . 2 . . . . 45 ASP HB2 . 17978 1 503 . 1 1 45 45 ASP HB3 H 1 2.655 0.005 . 2 . . . . 45 ASP HB3 . 17978 1 504 . 1 1 45 45 ASP C C 13 174.928 0.027 . 1 . . . . 45 ASP C . 17978 1 505 . 1 1 45 45 ASP CA C 13 53.136 0.067 . 1 . . . . 45 ASP CA . 17978 1 506 . 1 1 45 45 ASP CB C 13 38.846 0.060 . 1 . . . . 45 ASP CB . 17978 1 507 . 1 1 45 45 ASP N N 15 122.588 0.047 . 1 . . . . 45 ASP N . 17978 1 508 . 1 1 46 46 VAL H H 1 8.030 0.004 . 1 . . . . 46 VAL HN . 17978 1 509 . 1 1 46 46 VAL HA H 1 4.018 0.004 . 1 . . . . 46 VAL HA . 17978 1 510 . 1 1 46 46 VAL HB H 1 2.032 0.000 . 1 . . . . 46 VAL HB . 17978 1 511 . 1 1 46 46 VAL HG11 H 1 0.827 0.000 . 2 . . . . 46 VAL QG1 . 17978 1 512 . 1 1 46 46 VAL HG12 H 1 0.827 0.000 . 2 . . . . 46 VAL QG1 . 17978 1 513 . 1 1 46 46 VAL HG13 H 1 0.827 0.000 . 2 . . . . 46 VAL QG1 . 17978 1 514 . 1 1 46 46 VAL HG21 H 1 0.873 0.000 . 2 . . . . 46 VAL QG2 . 17978 1 515 . 1 1 46 46 VAL HG22 H 1 0.873 0.000 . 2 . . . . 46 VAL QG2 . 17978 1 516 . 1 1 46 46 VAL HG23 H 1 0.873 0.000 . 2 . . . . 46 VAL QG2 . 17978 1 517 . 1 1 46 46 VAL C C 13 175.985 0.034 . 1 . . . . 46 VAL C . 17978 1 518 . 1 1 46 46 VAL CA C 13 62.365 0.008 . 1 . . . . 46 VAL CA . 17978 1 519 . 1 1 46 46 VAL CB C 13 32.300 0.341 . 1 . . . . 46 VAL CB . 17978 1 520 . 1 1 46 46 VAL CG1 C 13 20.370 0.000 . 2 . . . . 46 VAL CG1 . 17978 1 521 . 1 1 46 46 VAL CG2 C 13 20.918 0.003 . 2 . . . . 46 VAL CG2 . 17978 1 522 . 1 1 46 46 VAL N N 15 121.716 0.027 . 1 . . . . 46 VAL N . 17978 1 523 . 1 1 47 47 LEU H H 1 8.211 0.003 . 1 . . . . 47 LEU HN . 17978 1 524 . 1 1 47 47 LEU HA H 1 4.325 0.001 . 1 . . . . 47 LEU HA . 17978 1 525 . 1 1 47 47 LEU HB2 H 1 1.611 0.000 . 2 . . . . 47 LEU HB2 . 17978 1 526 . 1 1 47 47 LEU HG H 1 1.534 0.003 . 1 . . . . 47 LEU HG . 17978 1 527 . 1 1 47 47 LEU HD11 H 1 0.836 0.002 . 2 . . . . 47 LEU QD1 . 17978 1 528 . 1 1 47 47 LEU HD12 H 1 0.836 0.002 . 2 . . . . 47 LEU QD1 . 17978 1 529 . 1 1 47 47 LEU HD13 H 1 0.836 0.002 . 2 . . . . 47 LEU QD1 . 17978 1 530 . 1 1 47 47 LEU HD21 H 1 0.733 0.000 . 2 . . . . 47 LEU QD2 . 17978 1 531 . 1 1 47 47 LEU HD22 H 1 0.733 0.000 . 2 . . . . 47 LEU QD2 . 17978 1 532 . 1 1 47 47 LEU HD23 H 1 0.733 0.000 . 2 . . . . 47 LEU QD2 . 17978 1 533 . 1 1 47 47 LEU C C 13 179.187 0.000 . 1 . . . . 47 LEU C . 17978 1 534 . 1 1 47 47 LEU CA C 13 55.218 0.017 . 1 . . . . 47 LEU CA . 17978 1 535 . 1 1 47 47 LEU CB C 13 42.173 0.045 . 1 . . . . 47 LEU CB . 17978 1 536 . 1 1 47 47 LEU CG C 13 26.881 0.000 . 1 . . . . 47 LEU CG . 17978 1 537 . 1 1 47 47 LEU CD1 C 13 24.802 0.000 . 2 . . . . 47 LEU CD1 . 17978 1 538 . 1 1 47 47 LEU CD2 C 13 23.289 0.000 . 2 . . . . 47 LEU CD2 . 17978 1 539 . 1 1 47 47 LEU N N 15 125.547 0.133 . 1 . . . . 47 LEU N . 17978 1 540 . 1 1 48 48 SER H H 1 8.111 0.003 . 1 . . . . 48 SER HN . 17978 1 541 . 1 1 48 48 SER HB2 H 1 3.787 0.002 . 2 . . . . 48 SER HB2 . 17978 1 542 . 1 1 48 48 SER CA C 13 58.446 0.060 . 1 . . . . 48 SER CA . 17978 1 543 . 1 1 48 48 SER CB C 13 64.073 0.025 . 1 . . . . 48 SER CB . 17978 1 544 . 1 1 48 48 SER N N 15 116.720 0.174 . 1 . . . . 48 SER N . 17978 1 545 . 1 1 49 49 GLY H H 1 7.894 0.003 . 1 . . . . 49 GLY HN . 17978 1 546 . 1 1 49 49 GLY HA2 H 1 3.926 0.002 . 2 . . . . 49 GLY QA . 17978 1 547 . 1 1 49 49 GLY HA3 H 1 3.926 0.002 . 2 . . . . 49 GLY QA . 17978 1 548 . 1 1 49 49 GLY C C 13 175.024 0.009 . 1 . . . . 49 GLY C . 17978 1 549 . 1 1 49 49 GLY CA C 13 45.989 0.100 . 1 . . . . 49 GLY CA . 17978 1 550 . 1 1 49 49 GLY N N 15 116.892 0.054 . 1 . . . . 49 GLY N . 17978 1 551 . 1 1 50 50 GLU H H 1 7.937 0.003 . 1 . . . . 50 GLU HN . 17978 1 552 . 1 1 50 50 GLU HA H 1 4.228 0.000 . 1 . . . . 50 GLU HA . 17978 1 553 . 1 1 50 50 GLU HB2 H 1 2.066 0.000 . 2 . . . . 50 GLU QB . 17978 1 554 . 1 1 50 50 GLU HB3 H 1 2.066 0.000 . 2 . . . . 50 GLU QB . 17978 1 555 . 1 1 50 50 GLU HG2 H 1 2.367 0.000 . 2 . . . . 50 GLU QG . 17978 1 556 . 1 1 50 50 GLU HG3 H 1 2.367 0.000 . 2 . . . . 50 GLU QG . 17978 1 557 . 1 1 50 50 GLU CA C 13 57.352 0.000 . 1 . . . . 50 GLU CA . 17978 1 558 . 1 1 50 50 GLU CB C 13 30.086 0.000 . 1 . . . . 50 GLU CB . 17978 1 559 . 1 1 50 50 GLU N N 15 118.463 0.066 . 1 . . . . 50 GLU N . 17978 1 560 . 1 1 51 51 CYS H H 1 8.365 0.000 . 1 . . . . 51 CYS HN . 17978 1 561 . 1 1 51 51 CYS HA H 1 5.276 0.003 . 1 . . . . 51 CYS HA . 17978 1 562 . 1 1 51 51 CYS HB2 H 1 2.768 0.006 . 2 . . . . 51 CYS QB . 17978 1 563 . 1 1 51 51 CYS HB3 H 1 2.768 0.006 . 2 . . . . 51 CYS QB . 17978 1 564 . 1 1 51 51 CYS C C 13 172.911 0.015 . 1 . . . . 51 CYS C . 17978 1 565 . 1 1 51 51 CYS CA C 13 55.996 0.128 . 1 . . . . 51 CYS CA . 17978 1 566 . 1 1 51 51 CYS CB C 13 47.998 0.085 . 1 . . . . 51 CYS CB . 17978 1 567 . 1 1 51 51 CYS N N 15 116.815 0.000 . 1 . . . . 51 CYS N . 17978 1 568 . 1 1 52 52 LYS H H 1 8.190 0.003 . 1 . . . . 52 LYS HN . 17978 1 569 . 1 1 52 52 LYS HA H 1 4.557 0.002 . 1 . . . . 52 LYS HA . 17978 1 570 . 1 1 52 52 LYS HB2 H 1 1.762 0.001 . 2 . . . . 52 LYS HB2 . 17978 1 571 . 1 1 52 52 LYS HB3 H 1 1.640 0.001 . 2 . . . . 52 LYS HB3 . 17978 1 572 . 1 1 52 52 LYS HG2 H 1 1.377 0.004 . 2 . . . . 52 LYS QG . 17978 1 573 . 1 1 52 52 LYS HG3 H 1 1.377 0.004 . 2 . . . . 52 LYS QG . 17978 1 574 . 1 1 52 52 LYS HD2 H 1 1.636 0.001 . 2 . . . . 52 LYS HD2 . 17978 1 575 . 1 1 52 52 LYS HD3 H 1 1.664 0.001 . 2 . . . . 52 LYS HD3 . 17978 1 576 . 1 1 52 52 LYS HE2 H 1 2.943 0.002 . 2 . . . . 52 LYS QE . 17978 1 577 . 1 1 52 52 LYS HE3 H 1 2.943 0.002 . 2 . . . . 52 LYS QE . 17978 1 578 . 1 1 52 52 LYS C C 13 175.989 0.018 . 1 . . . . 52 LYS C . 17978 1 579 . 1 1 52 52 LYS CA C 13 54.167 0.071 . 1 . . . . 52 LYS CA . 17978 1 580 . 1 1 52 52 LYS CB C 13 35.109 0.025 . 1 . . . . 52 LYS CB . 17978 1 581 . 1 1 52 52 LYS CG C 13 24.477 0.027 . 1 . . . . 52 LYS CG . 17978 1 582 . 1 1 52 52 LYS CD C 13 29.072 0.052 . 1 . . . . 52 LYS CD . 17978 1 583 . 1 1 52 52 LYS CE C 13 42.181 0.087 . 1 . . . . 52 LYS CE . 17978 1 584 . 1 1 52 52 LYS N N 15 121.459 0.075 . 1 . . . . 52 LYS N . 17978 1 585 . 1 1 53 53 ASN H H 1 8.995 0.005 . 1 . . . . 53 ASN HN . 17978 1 586 . 1 1 53 53 ASN HA H 1 4.457 0.004 . 1 . . . . 53 ASN HA . 17978 1 587 . 1 1 53 53 ASN HB2 H 1 2.593 0.001 . 2 . . . . 53 ASN HB2 . 17978 1 588 . 1 1 53 53 ASN HB3 H 1 2.557 0.001 . 2 . . . . 53 ASN HB3 . 17978 1 589 . 1 1 53 53 ASN HD21 H 1 7.373 0.001 . 2 . . . . 53 ASN HD21 . 17978 1 590 . 1 1 53 53 ASN HD22 H 1 6.860 0.003 . 2 . . . . 53 ASN HD22 . 17978 1 591 . 1 1 53 53 ASN C C 13 175.355 0.006 . 1 . . . . 53 ASN C . 17978 1 592 . 1 1 53 53 ASN CA C 13 53.808 0.085 . 1 . . . . 53 ASN CA . 17978 1 593 . 1 1 53 53 ASN CB C 13 37.392 0.057 . 1 . . . . 53 ASN CB . 17978 1 594 . 1 1 53 53 ASN N N 15 124.454 0.106 . 1 . . . . 53 ASN N . 17978 1 595 . 1 1 53 53 ASN ND2 N 15 111.745 0.345 . 1 . . . . 53 ASN ND2 . 17978 1 596 . 1 1 54 54 ILE H H 1 7.770 0.002 . 1 . . . . 54 ILE HN . 17978 1 597 . 1 1 54 54 ILE HA H 1 4.366 0.003 . 1 . . . . 54 ILE HA . 17978 1 598 . 1 1 54 54 ILE HB H 1 1.494 0.001 . 1 . . . . 54 ILE HB . 17978 1 599 . 1 1 54 54 ILE HG12 H 1 1.472 0.001 . 2 . . . . 54 ILE HG12 . 17978 1 600 . 1 1 54 54 ILE HG13 H 1 1.144 0.002 . 2 . . . . 54 ILE HG13 . 17978 1 601 . 1 1 54 54 ILE HG21 H 1 0.745 0.002 . 1 . . . . 54 ILE QG2 . 17978 1 602 . 1 1 54 54 ILE HG22 H 1 0.745 0.002 . 1 . . . . 54 ILE QG2 . 17978 1 603 . 1 1 54 54 ILE HG23 H 1 0.745 0.002 . 1 . . . . 54 ILE QG2 . 17978 1 604 . 1 1 54 54 ILE HD11 H 1 0.713 0.002 . 1 . . . . 54 ILE QD1 . 17978 1 605 . 1 1 54 54 ILE HD12 H 1 0.713 0.002 . 1 . . . . 54 ILE QD1 . 17978 1 606 . 1 1 54 54 ILE HD13 H 1 0.713 0.002 . 1 . . . . 54 ILE QD1 . 17978 1 607 . 1 1 54 54 ILE C C 13 173.803 0.000 . 1 . . . . 54 ILE C . 17978 1 608 . 1 1 54 54 ILE CA C 13 59.462 0.036 . 1 . . . . 54 ILE CA . 17978 1 609 . 1 1 54 54 ILE CB C 13 38.209 0.102 . 1 . . . . 54 ILE CB . 17978 1 610 . 1 1 54 54 ILE CG1 C 13 27.831 0.025 . 1 . . . . 54 ILE CG1 . 17978 1 611 . 1 1 54 54 ILE CG2 C 13 16.521 0.017 . 1 . . . . 54 ILE CG2 . 17978 1 612 . 1 1 54 54 ILE CD1 C 13 13.059 0.120 . 1 . . . . 54 ILE CD1 . 17978 1 613 . 1 1 54 54 ILE N N 15 125.003 0.082 . 1 . . . . 54 ILE N . 17978 1 614 . 1 1 55 55 PRO HA H 1 4.237 0.003 . 1 . . . . 55 PRO HA . 17978 1 615 . 1 1 55 55 PRO HB2 H 1 2.308 0.001 . 2 . . . . 55 PRO HB2 . 17978 1 616 . 1 1 55 55 PRO HB3 H 1 1.861 0.003 . 2 . . . . 55 PRO HB3 . 17978 1 617 . 1 1 55 55 PRO HG2 H 1 2.045 0.001 . 2 . . . . 55 PRO HG2 . 17978 1 618 . 1 1 55 55 PRO HG3 H 1 1.952 0.001 . 2 . . . . 55 PRO HG3 . 17978 1 619 . 1 1 55 55 PRO HD2 H 1 4.027 0.001 . 2 . . . . 55 PRO HD2 . 17978 1 620 . 1 1 55 55 PRO HD3 H 1 3.462 0.000 . 2 . . . . 55 PRO HD3 . 17978 1 621 . 1 1 55 55 PRO C C 13 177.923 0.012 . 1 . . . . 55 PRO C . 17978 1 622 . 1 1 55 55 PRO CA C 13 63.576 0.152 . 1 . . . . 55 PRO CA . 17978 1 623 . 1 1 55 55 PRO CB C 13 32.346 0.062 . 1 . . . . 55 PRO CB . 17978 1 624 . 1 1 55 55 PRO CG C 13 27.720 0.033 . 1 . . . . 55 PRO CG . 17978 1 625 . 1 1 55 55 PRO CD C 13 51.363 0.093 . 1 . . . . 55 PRO CD . 17978 1 626 . 1 1 55 55 PRO N N 15 141.715 0.023 . 1 . . . . 55 PRO N . 17978 1 627 . 1 1 56 56 ILE H H 1 8.486 0.003 . 1 . . . . 56 ILE HN . 17978 1 628 . 1 1 56 56 ILE HA H 1 3.710 0.003 . 1 . . . . 56 ILE HA . 17978 1 629 . 1 1 56 56 ILE HB H 1 1.832 0.002 . 1 . . . . 56 ILE HB . 17978 1 630 . 1 1 56 56 ILE HG12 H 1 1.410 0.002 . 2 . . . . 56 ILE HG12 . 17978 1 631 . 1 1 56 56 ILE HG13 H 1 1.285 0.001 . 2 . . . . 56 ILE HG13 . 17978 1 632 . 1 1 56 56 ILE HG21 H 1 0.837 0.002 . 1 . . . . 56 ILE QG2 . 17978 1 633 . 1 1 56 56 ILE HG22 H 1 0.837 0.002 . 1 . . . . 56 ILE QG2 . 17978 1 634 . 1 1 56 56 ILE HG23 H 1 0.837 0.002 . 1 . . . . 56 ILE QG2 . 17978 1 635 . 1 1 56 56 ILE HD11 H 1 0.806 0.002 . 1 . . . . 56 ILE QD1 . 17978 1 636 . 1 1 56 56 ILE HD12 H 1 0.806 0.002 . 1 . . . . 56 ILE QD1 . 17978 1 637 . 1 1 56 56 ILE HD13 H 1 0.806 0.002 . 1 . . . . 56 ILE QD1 . 17978 1 638 . 1 1 56 56 ILE C C 13 177.388 0.021 . 1 . . . . 56 ILE C . 17978 1 639 . 1 1 56 56 ILE CA C 13 62.972 0.067 . 1 . . . . 56 ILE CA . 17978 1 640 . 1 1 56 56 ILE CB C 13 37.906 0.035 . 1 . . . . 56 ILE CB . 17978 1 641 . 1 1 56 56 ILE CG1 C 13 28.379 0.075 . 1 . . . . 56 ILE CG1 . 17978 1 642 . 1 1 56 56 ILE CG2 C 13 17.738 0.054 . 1 . . . . 56 ILE CG2 . 17978 1 643 . 1 1 56 56 ILE CD1 C 13 12.831 0.040 . 1 . . . . 56 ILE CD1 . 17978 1 644 . 1 1 56 56 ILE N N 15 124.418 0.091 . 1 . . . . 56 ILE N . 17978 1 645 . 1 1 57 57 ASN H H 1 8.632 0.002 . 1 . . . . 57 ASN HN . 17978 1 646 . 1 1 57 57 ASN HA H 1 4.337 0.004 . 1 . . . . 57 ASN HA . 17978 1 647 . 1 1 57 57 ASN HB2 H 1 2.714 0.004 . 2 . . . . 57 ASN HB2 . 17978 1 648 . 1 1 57 57 ASN HB3 H 1 2.675 0.001 . 2 . . . . 57 ASN HB3 . 17978 1 649 . 1 1 57 57 ASN HD21 H 1 7.551 0.002 . 2 . . . . 57 ASN HD21 . 17978 1 650 . 1 1 57 57 ASN HD22 H 1 6.804 0.005 . 2 . . . . 57 ASN HD22 . 17978 1 651 . 1 1 57 57 ASN C C 13 176.751 0.008 . 1 . . . . 57 ASN C . 17978 1 652 . 1 1 57 57 ASN CA C 13 55.820 0.047 . 1 . . . . 57 ASN CA . 17978 1 653 . 1 1 57 57 ASN CB C 13 37.279 0.269 . 1 . . . . 57 ASN CB . 17978 1 654 . 1 1 57 57 ASN N N 15 119.225 0.075 . 1 . . . . 57 ASN N . 17978 1 655 . 1 1 57 57 ASN ND2 N 15 113.259 0.046 . 1 . . . . 57 ASN ND2 . 17978 1 656 . 1 1 58 58 ILE H H 1 7.066 0.003 . 1 . . . . 58 ILE HN . 17978 1 657 . 1 1 58 58 ILE HA H 1 3.681 0.005 . 1 . . . . 58 ILE HA . 17978 1 658 . 1 1 58 58 ILE HB H 1 1.780 0.003 . 1 . . . . 58 ILE HB . 17978 1 659 . 1 1 58 58 ILE HG12 H 1 1.322 0.003 . 2 . . . . 58 ILE HG12 . 17978 1 660 . 1 1 58 58 ILE HG13 H 1 1.109 0.003 . 2 . . . . 58 ILE HG13 . 17978 1 661 . 1 1 58 58 ILE HG21 H 1 0.283 0.002 . 1 . . . . 58 ILE QG2 . 17978 1 662 . 1 1 58 58 ILE HG22 H 1 0.283 0.002 . 1 . . . . 58 ILE QG2 . 17978 1 663 . 1 1 58 58 ILE HG23 H 1 0.283 0.002 . 1 . . . . 58 ILE QG2 . 17978 1 664 . 1 1 58 58 ILE HD11 H 1 0.682 0.001 . 1 . . . . 58 ILE QD1 . 17978 1 665 . 1 1 58 58 ILE HD12 H 1 0.682 0.001 . 1 . . . . 58 ILE QD1 . 17978 1 666 . 1 1 58 58 ILE HD13 H 1 0.682 0.001 . 1 . . . . 58 ILE QD1 . 17978 1 667 . 1 1 58 58 ILE C C 13 177.806 0.016 . 1 . . . . 58 ILE C . 17978 1 668 . 1 1 58 58 ILE CA C 13 62.473 0.037 . 1 . . . . 58 ILE CA . 17978 1 669 . 1 1 58 58 ILE CB C 13 37.358 0.048 . 1 . . . . 58 ILE CB . 17978 1 670 . 1 1 58 58 ILE CG1 C 13 27.840 0.045 . 1 . . . . 58 ILE CG1 . 17978 1 671 . 1 1 58 58 ILE CG2 C 13 16.877 0.039 . 1 . . . . 58 ILE CG2 . 17978 1 672 . 1 1 58 58 ILE CD1 C 13 11.702 0.040 . 1 . . . . 58 ILE CD1 . 17978 1 673 . 1 1 58 58 ILE N N 15 119.019 0.071 . 1 . . . . 58 ILE N . 17978 1 674 . 1 1 59 59 LEU H H 1 7.420 0.002 . 1 . . . . 59 LEU HN . 17978 1 675 . 1 1 59 59 LEU HA H 1 3.698 0.002 . 1 . . . . 59 LEU HA . 17978 1 676 . 1 1 59 59 LEU HB2 H 1 1.775 0.004 . 2 . . . . 59 LEU HB2 . 17978 1 677 . 1 1 59 59 LEU HB3 H 1 1.177 0.004 . 2 . . . . 59 LEU HB3 . 17978 1 678 . 1 1 59 59 LEU HG H 1 1.569 0.004 . 1 . . . . 59 LEU HG . 17978 1 679 . 1 1 59 59 LEU HD11 H 1 0.468 0.002 . 2 . . . . 59 LEU QD1 . 17978 1 680 . 1 1 59 59 LEU HD12 H 1 0.468 0.002 . 2 . . . . 59 LEU QD1 . 17978 1 681 . 1 1 59 59 LEU HD13 H 1 0.468 0.002 . 2 . . . . 59 LEU QD1 . 17978 1 682 . 1 1 59 59 LEU HD21 H 1 0.731 0.002 . 2 . . . . 59 LEU QD2 . 17978 1 683 . 1 1 59 59 LEU HD22 H 1 0.731 0.002 . 2 . . . . 59 LEU QD2 . 17978 1 684 . 1 1 59 59 LEU HD23 H 1 0.731 0.002 . 2 . . . . 59 LEU QD2 . 17978 1 685 . 1 1 59 59 LEU C C 13 179.452 0.005 . 1 . . . . 59 LEU C . 17978 1 686 . 1 1 59 59 LEU CA C 13 57.298 0.055 . 1 . . . . 59 LEU CA . 17978 1 687 . 1 1 59 59 LEU CB C 13 40.521 0.112 . 1 . . . . 59 LEU CB . 17978 1 688 . 1 1 59 59 LEU CG C 13 25.926 0.059 . 1 . . . . 59 LEU CG . 17978 1 689 . 1 1 59 59 LEU CD1 C 13 22.669 0.029 . 2 . . . . 59 LEU CD1 . 17978 1 690 . 1 1 59 59 LEU CD2 C 13 26.224 0.001 . 2 . . . . 59 LEU CD2 . 17978 1 691 . 1 1 59 59 LEU N N 15 119.192 0.075 . 1 . . . . 59 LEU N . 17978 1 692 . 1 1 60 60 THR H H 1 8.149 0.002 . 1 . . . . 60 THR HN . 17978 1 693 . 1 1 60 60 THR HA H 1 3.816 0.003 . 1 . . . . 60 THR HA . 17978 1 694 . 1 1 60 60 THR HB H 1 4.110 0.002 . 1 . . . . 60 THR HB . 17978 1 695 . 1 1 60 60 THR HG21 H 1 1.136 0.002 . 1 . . . . 60 THR QG2 . 17978 1 696 . 1 1 60 60 THR HG22 H 1 1.136 0.002 . 1 . . . . 60 THR QG2 . 17978 1 697 . 1 1 60 60 THR HG23 H 1 1.136 0.002 . 1 . . . . 60 THR QG2 . 17978 1 698 . 1 1 60 60 THR C C 13 175.627 0.013 . 1 . . . . 60 THR C . 17978 1 699 . 1 1 60 60 THR CA C 13 65.600 0.048 . 1 . . . . 60 THR CA . 17978 1 700 . 1 1 60 60 THR CB C 13 69.360 0.064 . 1 . . . . 60 THR CB . 17978 1 701 . 1 1 60 60 THR CG2 C 13 21.537 0.128 . 1 . . . . 60 THR CG2 . 17978 1 702 . 1 1 60 60 THR N N 15 112.036 0.105 . 1 . . . . 60 THR N . 17978 1 703 . 1 1 61 61 ILE H H 1 6.890 0.013 . 1 . . . . 61 ILE HN . 17978 1 704 . 1 1 61 61 ILE HA H 1 4.308 0.003 . 1 . . . . 61 ILE HA . 17978 1 705 . 1 1 61 61 ILE HB H 1 1.983 0.002 . 1 . . . . 61 ILE HB . 17978 1 706 . 1 1 61 61 ILE HG12 H 1 1.376 0.002 . 2 . . . . 61 ILE HG12 . 17978 1 707 . 1 1 61 61 ILE HG13 H 1 1.197 0.002 . 2 . . . . 61 ILE HG13 . 17978 1 708 . 1 1 61 61 ILE HG21 H 1 0.837 0.001 . 1 . . . . 61 ILE QG2 . 17978 1 709 . 1 1 61 61 ILE HG22 H 1 0.837 0.001 . 1 . . . . 61 ILE QG2 . 17978 1 710 . 1 1 61 61 ILE HG23 H 1 0.837 0.001 . 1 . . . . 61 ILE QG2 . 17978 1 711 . 1 1 61 61 ILE HD11 H 1 0.779 0.005 . 1 . . . . 61 ILE QD1 . 17978 1 712 . 1 1 61 61 ILE HD12 H 1 0.779 0.005 . 1 . . . . 61 ILE QD1 . 17978 1 713 . 1 1 61 61 ILE HD13 H 1 0.779 0.005 . 1 . . . . 61 ILE QD1 . 17978 1 714 . 1 1 61 61 ILE C C 13 175.769 0.017 . 1 . . . . 61 ILE C . 17978 1 715 . 1 1 61 61 ILE CA C 13 61.908 0.051 . 1 . . . . 61 ILE CA . 17978 1 716 . 1 1 61 61 ILE CB C 13 38.198 0.053 . 1 . . . . 61 ILE CB . 17978 1 717 . 1 1 61 61 ILE CG1 C 13 26.685 0.035 . 1 . . . . 61 ILE CG1 . 17978 1 718 . 1 1 61 61 ILE CG2 C 13 17.541 0.048 . 1 . . . . 61 ILE CG2 . 17978 1 719 . 1 1 61 61 ILE CD1 C 13 13.534 0.056 . 1 . . . . 61 ILE CD1 . 17978 1 720 . 1 1 61 61 ILE N N 15 113.924 0.110 . 1 . . . . 61 ILE N . 17978 1 721 . 1 1 62 62 ASN H H 1 7.337 0.002 . 1 . . . . 62 ASN HN . 17978 1 722 . 1 1 62 62 ASN HA H 1 5.103 0.004 . 1 . . . . 62 ASN HA . 17978 1 723 . 1 1 62 62 ASN HB2 H 1 2.928 0.005 . 2 . . . . 62 ASN HB2 . 17978 1 724 . 1 1 62 62 ASN HB3 H 1 2.396 0.003 . 2 . . . . 62 ASN HB3 . 17978 1 725 . 1 1 62 62 ASN HD21 H 1 7.792 0.003 . 2 . . . . 62 ASN HD21 . 17978 1 726 . 1 1 62 62 ASN HD22 H 1 7.312 0.002 . 2 . . . . 62 ASN HD22 . 17978 1 727 . 1 1 62 62 ASN C C 13 175.021 0.008 . 1 . . . . 62 ASN C . 17978 1 728 . 1 1 62 62 ASN CA C 13 53.262 0.144 . 1 . . . . 62 ASN CA . 17978 1 729 . 1 1 62 62 ASN CB C 13 40.471 0.050 . 1 . . . . 62 ASN CB . 17978 1 730 . 1 1 62 62 ASN N N 15 121.158 0.082 . 1 . . . . 62 ASN N . 17978 1 731 . 1 1 62 62 ASN ND2 N 15 118.389 0.026 . 1 . . . . 62 ASN ND2 . 17978 1 732 . 1 1 63 63 GLN H H 1 7.838 0.001 . 1 . . . . 63 GLN HN . 17978 1 733 . 1 1 63 63 GLN HA H 1 3.803 0.002 . 1 . . . . 63 GLN HA . 17978 1 734 . 1 1 63 63 GLN HB2 H 1 2.034 0.005 . 2 . . . . 63 GLN QB . 17978 1 735 . 1 1 63 63 GLN HB3 H 1 2.034 0.005 . 2 . . . . 63 GLN QB . 17978 1 736 . 1 1 63 63 GLN HG2 H 1 2.406 0.001 . 2 . . . . 63 GLN HG2 . 17978 1 737 . 1 1 63 63 GLN HG3 H 1 2.352 0.003 . 2 . . . . 63 GLN HG3 . 17978 1 738 . 1 1 63 63 GLN HE21 H 1 7.257 0.001 . 2 . . . . 63 GLN HE21 . 17978 1 739 . 1 1 63 63 GLN HE22 H 1 7.345 0.000 . 2 . . . . 63 GLN HE22 . 17978 1 740 . 1 1 63 63 GLN C C 13 176.770 0.018 . 1 . . . . 63 GLN C . 17978 1 741 . 1 1 63 63 GLN CA C 13 59.184 0.029 . 1 . . . . 63 GLN CA . 17978 1 742 . 1 1 63 63 GLN CB C 13 30.562 0.041 . 1 . . . . 63 GLN CB . 17978 1 743 . 1 1 63 63 GLN CG C 13 34.987 0.003 . 1 . . . . 63 GLN CG . 17978 1 744 . 1 1 63 63 GLN N N 15 115.942 0.059 . 1 . . . . 63 GLN N . 17978 1 745 . 1 1 63 63 GLN NE2 N 15 115.930 0.066 . 1 . . . . 63 GLN NE2 . 17978 1 746 . 1 1 64 64 LEU H H 1 8.390 0.002 . 1 . . . . 64 LEU HN . 17978 1 747 . 1 1 64 64 LEU HA H 1 4.489 0.002 . 1 . . . . 64 LEU HA . 17978 1 748 . 1 1 64 64 LEU HB2 H 1 1.677 0.001 . 2 . . . . 64 LEU HB2 . 17978 1 749 . 1 1 64 64 LEU HB3 H 1 1.645 0.001 . 2 . . . . 64 LEU HB3 . 17978 1 750 . 1 1 64 64 LEU HG H 1 1.589 0.002 . 1 . . . . 64 LEU HG . 17978 1 751 . 1 1 64 64 LEU HD11 H 1 0.870 0.002 . 2 . . . . 64 LEU QD1 . 17978 1 752 . 1 1 64 64 LEU HD12 H 1 0.870 0.002 . 2 . . . . 64 LEU QD1 . 17978 1 753 . 1 1 64 64 LEU HD13 H 1 0.870 0.002 . 2 . . . . 64 LEU QD1 . 17978 1 754 . 1 1 64 64 LEU HD21 H 1 0.798 0.002 . 2 . . . . 64 LEU QD2 . 17978 1 755 . 1 1 64 64 LEU HD22 H 1 0.798 0.002 . 2 . . . . 64 LEU QD2 . 17978 1 756 . 1 1 64 64 LEU HD23 H 1 0.798 0.002 . 2 . . . . 64 LEU QD2 . 17978 1 757 . 1 1 64 64 LEU C C 13 177.043 0.032 . 1 . . . . 64 LEU C . 17978 1 758 . 1 1 64 64 LEU CA C 13 54.587 0.064 . 1 . . . . 64 LEU CA . 17978 1 759 . 1 1 64 64 LEU CB C 13 41.443 0.020 . 1 . . . . 64 LEU CB . 17978 1 760 . 1 1 64 64 LEU CG C 13 27.143 0.057 . 1 . . . . 64 LEU CG . 17978 1 761 . 1 1 64 64 LEU CD1 C 13 25.099 0.044 . 2 . . . . 64 LEU CD1 . 17978 1 762 . 1 1 64 64 LEU CD2 C 13 22.459 0.085 . 2 . . . . 64 LEU CD2 . 17978 1 763 . 1 1 64 64 LEU N N 15 115.370 0.084 . 1 . . . . 64 LEU N . 17978 1 764 . 1 1 65 65 ILE H H 1 7.408 0.002 . 1 . . . . 65 ILE HN . 17978 1 765 . 1 1 65 65 ILE HA H 1 4.408 0.001 . 1 . . . . 65 ILE HA . 17978 1 766 . 1 1 65 65 ILE HB H 1 2.208 0.003 . 1 . . . . 65 ILE HB . 17978 1 767 . 1 1 65 65 ILE HG12 H 1 1.596 0.001 . 2 . . . . 65 ILE HG12 . 17978 1 768 . 1 1 65 65 ILE HG13 H 1 1.407 0.001 . 2 . . . . 65 ILE HG13 . 17978 1 769 . 1 1 65 65 ILE HG21 H 1 1.025 0.003 . 1 . . . . 65 ILE QG2 . 17978 1 770 . 1 1 65 65 ILE HG22 H 1 1.025 0.003 . 1 . . . . 65 ILE QG2 . 17978 1 771 . 1 1 65 65 ILE HG23 H 1 1.025 0.003 . 1 . . . . 65 ILE QG2 . 17978 1 772 . 1 1 65 65 ILE HD11 H 1 0.789 0.001 . 1 . . . . 65 ILE QD1 . 17978 1 773 . 1 1 65 65 ILE HD12 H 1 0.789 0.001 . 1 . . . . 65 ILE QD1 . 17978 1 774 . 1 1 65 65 ILE HD13 H 1 0.789 0.001 . 1 . . . . 65 ILE QD1 . 17978 1 775 . 1 1 65 65 ILE CA C 13 57.083 0.048 . 1 . . . . 65 ILE CA . 17978 1 776 . 1 1 65 65 ILE CB C 13 38.318 0.029 . 1 . . . . 65 ILE CB . 17978 1 777 . 1 1 65 65 ILE CG1 C 13 27.331 0.018 . 1 . . . . 65 ILE CG1 . 17978 1 778 . 1 1 65 65 ILE CG2 C 13 17.425 0.031 . 1 . . . . 65 ILE CG2 . 17978 1 779 . 1 1 65 65 ILE CD1 C 13 10.394 0.022 . 1 . . . . 65 ILE CD1 . 17978 1 780 . 1 1 65 65 ILE N N 15 122.430 0.084 . 1 . . . . 65 ILE N . 17978 1 781 . 1 1 66 66 PRO HA H 1 4.367 0.002 . 1 . . . . 66 PRO HA . 17978 1 782 . 1 1 66 66 PRO HB2 H 1 2.143 0.001 . 2 . . . . 66 PRO HB2 . 17978 1 783 . 1 1 66 66 PRO HB3 H 1 1.739 0.001 . 2 . . . . 66 PRO HB3 . 17978 1 784 . 1 1 66 66 PRO HG2 H 1 1.812 0.000 . 2 . . . . 66 PRO QG . 17978 1 785 . 1 1 66 66 PRO HG3 H 1 1.812 0.000 . 2 . . . . 66 PRO QG . 17978 1 786 . 1 1 66 66 PRO HD2 H 1 3.484 0.000 . 2 . . . . 66 PRO HD2 . 17978 1 787 . 1 1 66 66 PRO HD3 H 1 3.458 0.001 . 2 . . . . 66 PRO HD3 . 17978 1 788 . 1 1 66 66 PRO C C 13 178.663 0.012 . 1 . . . . 66 PRO C . 17978 1 789 . 1 1 66 66 PRO CA C 13 63.744 0.082 . 1 . . . . 66 PRO CA . 17978 1 790 . 1 1 66 66 PRO CB C 13 32.068 0.044 . 1 . . . . 66 PRO CB . 17978 1 791 . 1 1 66 66 PRO CG C 13 28.026 0.021 . 1 . . . . 66 PRO CG . 17978 1 792 . 1 1 66 66 PRO CD C 13 51.649 0.035 . 1 . . . . 66 PRO CD . 17978 1 793 . 1 1 67 67 ILE H H 1 8.649 0.002 . 1 . . . . 67 ILE HN . 17978 1 794 . 1 1 67 67 ILE HA H 1 4.226 0.003 . 1 . . . . 67 ILE HA . 17978 1 795 . 1 1 67 67 ILE HB H 1 1.558 0.002 . 1 . . . . 67 ILE HB . 17978 1 796 . 1 1 67 67 ILE HG12 H 1 1.555 0.004 . 2 . . . . 67 ILE HG12 . 17978 1 797 . 1 1 67 67 ILE HG13 H 1 1.249 0.002 . 2 . . . . 67 ILE HG13 . 17978 1 798 . 1 1 67 67 ILE HG21 H 1 0.935 0.001 . 1 . . . . 67 ILE QG2 . 17978 1 799 . 1 1 67 67 ILE HG22 H 1 0.935 0.001 . 1 . . . . 67 ILE QG2 . 17978 1 800 . 1 1 67 67 ILE HG23 H 1 0.935 0.001 . 1 . . . . 67 ILE QG2 . 17978 1 801 . 1 1 67 67 ILE HD11 H 1 0.897 0.005 . 1 . . . . 67 ILE QD1 . 17978 1 802 . 1 1 67 67 ILE HD12 H 1 0.897 0.005 . 1 . . . . 67 ILE QD1 . 17978 1 803 . 1 1 67 67 ILE HD13 H 1 0.897 0.005 . 1 . . . . 67 ILE QD1 . 17978 1 804 . 1 1 67 67 ILE C C 13 176.115 0.040 . 1 . . . . 67 ILE C . 17978 1 805 . 1 1 67 67 ILE CA C 13 61.966 0.082 . 1 . . . . 67 ILE CA . 17978 1 806 . 1 1 67 67 ILE CB C 13 38.641 0.073 . 1 . . . . 67 ILE CB . 17978 1 807 . 1 1 67 67 ILE CG1 C 13 30.475 0.041 . 1 . . . . 67 ILE CG1 . 17978 1 808 . 1 1 67 67 ILE CG2 C 13 18.158 0.027 . 1 . . . . 67 ILE CG2 . 17978 1 809 . 1 1 67 67 ILE CD1 C 13 16.027 0.055 . 1 . . . . 67 ILE CD1 . 17978 1 810 . 1 1 67 67 ILE N N 15 125.590 0.085 . 1 . . . . 67 ILE N . 17978 1 811 . 1 1 68 68 ASN H H 1 8.679 0.002 . 1 . . . . 68 ASN HN . 17978 1 812 . 1 1 68 68 ASN HA H 1 4.445 0.007 . 1 . . . . 68 ASN HA . 17978 1 813 . 1 1 68 68 ASN HB2 H 1 2.789 0.003 . 2 . . . . 68 ASN HB2 . 17978 1 814 . 1 1 68 68 ASN HB3 H 1 2.751 0.003 . 2 . . . . 68 ASN HB3 . 17978 1 815 . 1 1 68 68 ASN HD21 H 1 7.405 0.004 . 2 . . . . 68 ASN HD21 . 17978 1 816 . 1 1 68 68 ASN HD22 H 1 6.713 0.002 . 2 . . . . 68 ASN HD22 . 17978 1 817 . 1 1 68 68 ASN C C 13 176.208 0.039 . 1 . . . . 68 ASN C . 17978 1 818 . 1 1 68 68 ASN CA C 13 54.807 0.150 . 1 . . . . 68 ASN CA . 17978 1 819 . 1 1 68 68 ASN CB C 13 37.066 0.017 . 1 . . . . 68 ASN CB . 17978 1 820 . 1 1 68 68 ASN N N 15 120.576 0.062 . 1 . . . . 68 ASN N . 17978 1 821 . 1 1 68 68 ASN ND2 N 15 110.431 0.178 . 1 . . . . 68 ASN ND2 . 17978 1 822 . 1 1 69 69 ASN H H 1 7.671 0.003 . 1 . . . . 69 ASN HN . 17978 1 823 . 1 1 69 69 ASN HA H 1 4.060 0.003 . 1 . . . . 69 ASN HA . 17978 1 824 . 1 1 69 69 ASN HB2 H 1 1.842 0.004 . 2 . . . . 69 ASN HB2 . 17978 1 825 . 1 1 69 69 ASN HB3 H 1 2.054 0.006 . 2 . . . . 69 ASN HB3 . 17978 1 826 . 1 1 69 69 ASN HD21 H 1 6.967 0.002 . 2 . . . . 69 ASN HD21 . 17978 1 827 . 1 1 69 69 ASN HD22 H 1 6.727 0.003 . 2 . . . . 69 ASN HD22 . 17978 1 828 . 1 1 69 69 ASN C C 13 175.649 0.015 . 1 . . . . 69 ASN C . 17978 1 829 . 1 1 69 69 ASN CA C 13 55.187 0.070 . 1 . . . . 69 ASN CA . 17978 1 830 . 1 1 69 69 ASN CB C 13 37.417 0.060 . 1 . . . . 69 ASN CB . 17978 1 831 . 1 1 69 69 ASN N N 15 118.398 0.093 . 1 . . . . 69 ASN N . 17978 1 832 . 1 1 69 69 ASN ND2 N 15 111.287 0.211 . 1 . . . . 69 ASN ND2 . 17978 1 833 . 1 1 70 70 PHE H H 1 7.761 0.002 . 1 . . . . 70 PHE HN . 17978 1 834 . 1 1 70 70 PHE HA H 1 4.605 0.003 . 1 . . . . 70 PHE HA . 17978 1 835 . 1 1 70 70 PHE HB2 H 1 3.414 0.003 . 2 . . . . 70 PHE HB2 . 17978 1 836 . 1 1 70 70 PHE HB3 H 1 2.539 0.007 . 2 . . . . 70 PHE HB3 . 17978 1 837 . 1 1 70 70 PHE HD1 H 1 7.123 0.000 . 3 . . . . 70 PHE QD . 17978 1 838 . 1 1 70 70 PHE HD2 H 1 7.123 0.000 . 3 . . . . 70 PHE QD . 17978 1 839 . 1 1 70 70 PHE HE1 H 1 7.118 0.000 . 3 . . . . 70 PHE QE . 17978 1 840 . 1 1 70 70 PHE HE2 H 1 7.118 0.000 . 3 . . . . 70 PHE QE . 17978 1 841 . 1 1 70 70 PHE HZ H 1 7.125 0.000 . 1 . . . . 70 PHE HZ . 17978 1 842 . 1 1 70 70 PHE C C 13 174.407 0.004 . 1 . . . . 70 PHE C . 17978 1 843 . 1 1 70 70 PHE CA C 13 56.938 0.087 . 1 . . . . 70 PHE CA . 17978 1 844 . 1 1 70 70 PHE CB C 13 39.975 0.056 . 1 . . . . 70 PHE CB . 17978 1 845 . 1 1 70 70 PHE N N 15 115.571 0.102 . 1 . . . . 70 PHE N . 17978 1 846 . 1 1 71 71 CYS H H 1 7.155 0.003 . 1 . . . . 71 CYS HN . 17978 1 847 . 1 1 71 71 CYS HA H 1 4.931 0.003 . 1 . . . . 71 CYS HA . 17978 1 848 . 1 1 71 71 CYS HB2 H 1 2.897 0.006 . 2 . . . . 71 CYS HB2 . 17978 1 849 . 1 1 71 71 CYS HB3 H 1 2.428 0.002 . 2 . . . . 71 CYS HB3 . 17978 1 850 . 1 1 71 71 CYS C C 13 172.436 0.005 . 1 . . . . 71 CYS C . 17978 1 851 . 1 1 71 71 CYS CA C 13 54.565 0.085 . 1 . . . . 71 CYS CA . 17978 1 852 . 1 1 71 71 CYS CB C 13 38.139 0.032 . 1 . . . . 71 CYS CB . 17978 1 853 . 1 1 71 71 CYS N N 15 116.069 0.114 . 1 . . . . 71 CYS N . 17978 1 854 . 1 1 72 72 SER H H 1 9.201 0.003 . 1 . . . . 72 SER HN . 17978 1 855 . 1 1 72 72 SER HA H 1 4.568 0.003 . 1 . . . . 72 SER HA . 17978 1 856 . 1 1 72 72 SER HB2 H 1 3.866 0.001 . 2 . . . . 72 SER HB2 . 17978 1 857 . 1 1 72 72 SER HB3 H 1 3.795 0.003 . 2 . . . . 72 SER HB3 . 17978 1 858 . 1 1 72 72 SER C C 13 173.337 0.050 . 1 . . . . 72 SER C . 17978 1 859 . 1 1 72 72 SER CA C 13 58.944 0.114 . 1 . . . . 72 SER CA . 17978 1 860 . 1 1 72 72 SER CB C 13 63.279 0.115 . 1 . . . . 72 SER CB . 17978 1 861 . 1 1 72 72 SER N N 15 124.878 0.082 . 1 . . . . 72 SER N . 17978 1 862 . 1 1 73 73 ASP H H 1 6.987 0.002 . 1 . . . . 73 ASP HN . 17978 1 863 . 1 1 73 73 ASP HA H 1 4.923 0.004 . 1 . . . . 73 ASP HA . 17978 1 864 . 1 1 73 73 ASP HB2 H 1 2.886 0.005 . 2 . . . . 73 ASP HB2 . 17978 1 865 . 1 1 73 73 ASP HB3 H 1 2.142 0.003 . 2 . . . . 73 ASP HB3 . 17978 1 866 . 1 1 73 73 ASP C C 13 173.953 0.025 . 1 . . . . 73 ASP C . 17978 1 867 . 1 1 73 73 ASP CA C 13 53.638 0.166 . 1 . . . . 73 ASP CA . 17978 1 868 . 1 1 73 73 ASP CB C 13 41.210 0.103 . 1 . . . . 73 ASP CB . 17978 1 869 . 1 1 73 73 ASP N N 15 123.423 0.086 . 1 . . . . 73 ASP N . 17978 1 870 . 1 1 74 74 THR H H 1 8.270 0.002 . 1 . . . . 74 THR HN . 17978 1 871 . 1 1 74 74 THR HA H 1 4.482 0.004 . 1 . . . . 74 THR HA . 17978 1 872 . 1 1 74 74 THR HB H 1 3.907 0.003 . 1 . . . . 74 THR HB . 17978 1 873 . 1 1 74 74 THR HG21 H 1 0.977 0.002 . 1 . . . . 74 THR QG2 . 17978 1 874 . 1 1 74 74 THR HG22 H 1 0.977 0.002 . 1 . . . . 74 THR QG2 . 17978 1 875 . 1 1 74 74 THR HG23 H 1 0.977 0.002 . 1 . . . . 74 THR QG2 . 17978 1 876 . 1 1 74 74 THR C C 13 175.695 0.019 . 1 . . . . 74 THR C . 17978 1 877 . 1 1 74 74 THR CA C 13 62.759 0.060 . 1 . . . . 74 THR CA . 17978 1 878 . 1 1 74 74 THR CB C 13 69.452 0.077 . 1 . . . . 74 THR CB . 17978 1 879 . 1 1 74 74 THR CG2 C 13 21.782 0.031 . 1 . . . . 74 THR CG2 . 17978 1 880 . 1 1 74 74 THR N N 15 119.691 0.167 . 1 . . . . 74 THR N . 17978 1 881 . 1 1 75 75 VAL H H 1 9.382 0.002 . 1 . . . . 75 VAL HN . 17978 1 882 . 1 1 75 75 VAL HA H 1 4.315 0.005 . 1 . . . . 75 VAL HA . 17978 1 883 . 1 1 75 75 VAL HB H 1 2.040 0.003 . 1 . . . . 75 VAL HB . 17978 1 884 . 1 1 75 75 VAL HG11 H 1 0.875 0.000 . 2 . . . . 75 VAL QG1 . 17978 1 885 . 1 1 75 75 VAL HG12 H 1 0.875 0.000 . 2 . . . . 75 VAL QG1 . 17978 1 886 . 1 1 75 75 VAL HG13 H 1 0.875 0.000 . 2 . . . . 75 VAL QG1 . 17978 1 887 . 1 1 75 75 VAL HG21 H 1 0.890 0.001 . 2 . . . . 75 VAL QG2 . 17978 1 888 . 1 1 75 75 VAL HG22 H 1 0.890 0.001 . 2 . . . . 75 VAL QG2 . 17978 1 889 . 1 1 75 75 VAL HG23 H 1 0.890 0.001 . 2 . . . . 75 VAL QG2 . 17978 1 890 . 1 1 75 75 VAL C C 13 175.682 0.022 . 1 . . . . 75 VAL C . 17978 1 891 . 1 1 75 75 VAL CA C 13 64.366 0.079 . 1 . . . . 75 VAL CA . 17978 1 892 . 1 1 75 75 VAL CB C 13 30.530 0.034 . 1 . . . . 75 VAL CB . 17978 1 893 . 1 1 75 75 VAL CG1 C 13 22.459 0.202 . 2 . . . . 75 VAL CG1 . 17978 1 894 . 1 1 75 75 VAL CG2 C 13 23.150 0.074 . 2 . . . . 75 VAL CG2 . 17978 1 895 . 1 1 75 75 VAL N N 15 135.424 0.130 . 1 . . . . 75 VAL N . 17978 1 896 . 1 1 76 76 SER H H 1 9.120 0.003 . 1 . . . . 76 SER HN . 17978 1 897 . 1 1 76 76 SER HA H 1 5.233 0.003 . 1 . . . . 76 SER HA . 17978 1 898 . 1 1 76 76 SER HB2 H 1 3.394 0.003 . 2 . . . . 76 SER HB2 . 17978 1 899 . 1 1 76 76 SER HB3 H 1 3.280 0.004 . 2 . . . . 76 SER HB3 . 17978 1 900 . 1 1 76 76 SER C C 13 171.030 0.000 . 1 . . . . 76 SER C . 17978 1 901 . 1 1 76 76 SER CA C 13 58.022 0.059 . 1 . . . . 76 SER CA . 17978 1 902 . 1 1 76 76 SER CB C 13 68.061 0.102 . 1 . . . . 76 SER CB . 17978 1 903 . 1 1 76 76 SER N N 15 123.681 0.086 . 1 . . . . 76 SER N . 17978 1 904 . 1 1 77 77 CYS HA H 1 5.296 0.003 . 1 . . . . 77 CYS HA . 17978 1 905 . 1 1 77 77 CYS HB2 H 1 2.720 0.006 . 2 . . . . 77 CYS HB2 . 17978 1 906 . 1 1 77 77 CYS HB3 H 1 2.621 0.002 . 2 . . . . 77 CYS HB3 . 17978 1 907 . 1 1 77 77 CYS CA C 13 52.865 0.016 . 1 . . . . 77 CYS CA . 17978 1 908 . 1 1 77 77 CYS CB C 13 38.421 0.018 . 1 . . . . 77 CYS CB . 17978 1 909 . 1 1 78 78 CYS H H 1 9.248 0.003 . 1 . . . . 78 CYS HN . 17978 1 910 . 1 1 78 78 CYS HA H 1 5.886 0.002 . 1 . . . . 78 CYS HA . 17978 1 911 . 1 1 78 78 CYS HB2 H 1 2.945 0.001 . 2 . . . . 78 CYS HB2 . 17978 1 912 . 1 1 78 78 CYS HB3 H 1 2.740 0.004 . 2 . . . . 78 CYS HB3 . 17978 1 913 . 1 1 78 78 CYS C C 13 173.708 0.004 . 1 . . . . 78 CYS C . 17978 1 914 . 1 1 78 78 CYS CA C 13 55.374 0.051 . 1 . . . . 78 CYS CA . 17978 1 915 . 1 1 78 78 CYS CB C 13 48.946 0.010 . 1 . . . . 78 CYS CB . 17978 1 916 . 1 1 78 78 CYS N N 15 125.101 0.056 . 1 . . . . 78 CYS N . 17978 1 917 . 1 1 79 79 SER H H 1 8.810 0.003 . 1 . . . . 79 SER HN . 17978 1 918 . 1 1 79 79 SER HA H 1 4.452 0.006 . 1 . . . . 79 SER HA . 17978 1 919 . 1 1 79 79 SER HB2 H 1 4.066 0.003 . 2 . . . . 79 SER HB2 . 17978 1 920 . 1 1 79 79 SER HB3 H 1 3.985 0.002 . 2 . . . . 79 SER HB3 . 17978 1 921 . 1 1 79 79 SER C C 13 173.452 0.000 . 1 . . . . 79 SER C . 17978 1 922 . 1 1 79 79 SER CA C 13 58.401 0.031 . 1 . . . . 79 SER CA . 17978 1 923 . 1 1 79 79 SER CB C 13 64.546 0.109 . 1 . . . . 79 SER CB . 17978 1 924 . 1 1 79 79 SER N N 15 116.631 0.096 . 1 . . . . 79 SER N . 17978 1 925 . 1 1 80 80 GLY H H 1 8.290 0.002 . 1 . . . . 80 GLY HN . 17978 1 926 . 1 1 80 80 GLY HA2 H 1 3.779 0.001 . 2 . . . . 80 GLY HA2 . 17978 1 927 . 1 1 80 80 GLY HA3 H 1 3.933 0.001 . 2 . . . . 80 GLY HA3 . 17978 1 928 . 1 1 80 80 GLY C C 13 174.282 0.012 . 1 . . . . 80 GLY C . 17978 1 929 . 1 1 80 80 GLY CA C 13 45.048 0.015 . 1 . . . . 80 GLY CA . 17978 1 930 . 1 1 80 80 GLY N N 15 106.926 0.039 . 1 . . . . 80 GLY N . 17978 1 931 . 1 1 81 81 GLU H H 1 8.316 0.001 . 1 . . . . 81 GLU HN . 17978 1 932 . 1 1 81 81 GLU HA H 1 4.114 0.006 . 1 . . . . 81 GLU HA . 17978 1 933 . 1 1 81 81 GLU HB2 H 1 2.189 0.002 . 2 . . . . 81 GLU HB2 . 17978 1 934 . 1 1 81 81 GLU HB3 H 1 1.882 0.003 . 2 . . . . 81 GLU HB3 . 17978 1 935 . 1 1 81 81 GLU HG2 H 1 2.334 0.001 . 2 . . . . 81 GLU HG2 . 17978 1 936 . 1 1 81 81 GLU HG3 H 1 2.273 0.004 . 2 . . . . 81 GLU HG3 . 17978 1 937 . 1 1 81 81 GLU C C 13 176.389 0.007 . 1 . . . . 81 GLU C . 17978 1 938 . 1 1 81 81 GLU CA C 13 56.881 0.057 . 1 . . . . 81 GLU CA . 17978 1 939 . 1 1 81 81 GLU CB C 13 29.558 0.029 . 1 . . . . 81 GLU CB . 17978 1 940 . 1 1 81 81 GLU CG C 13 35.003 0.005 . 1 . . . . 81 GLU CG . 17978 1 941 . 1 1 81 81 GLU N N 15 121.520 0.082 . 1 . . . . 81 GLU N . 17978 1 942 . 1 1 82 82 GLN H H 1 8.535 0.005 . 1 . . . . 82 GLN HN . 17978 1 943 . 1 1 82 82 GLN HA H 1 4.411 0.002 . 1 . . . . 82 GLN HA . 17978 1 944 . 1 1 82 82 GLN HB2 H 1 2.031 0.008 . 2 . . . . 82 GLN HB2 . 17978 1 945 . 1 1 82 82 GLN HB3 H 1 1.836 0.006 . 2 . . . . 82 GLN HB3 . 17978 1 946 . 1 1 82 82 GLN HG2 H 1 2.271 0.004 . 2 . . . . 82 GLN QG . 17978 1 947 . 1 1 82 82 GLN HG3 H 1 2.271 0.004 . 2 . . . . 82 GLN QG . 17978 1 948 . 1 1 82 82 GLN HE21 H 1 7.430 0.002 . 2 . . . . 82 GLN HE21 . 17978 1 949 . 1 1 82 82 GLN HE22 H 1 6.777 0.004 . 2 . . . . 82 GLN HE22 . 17978 1 950 . 1 1 82 82 GLN C C 13 175.809 0.036 . 1 . . . . 82 GLN C . 17978 1 951 . 1 1 82 82 GLN CA C 13 54.995 0.069 . 1 . . . . 82 GLN CA . 17978 1 952 . 1 1 82 82 GLN CB C 13 30.698 0.034 . 1 . . . . 82 GLN CB . 17978 1 953 . 1 1 82 82 GLN CG C 13 33.751 0.040 . 1 . . . . 82 GLN CG . 17978 1 954 . 1 1 82 82 GLN N N 15 122.672 0.116 . 1 . . . . 82 GLN N . 17978 1 955 . 1 1 82 82 GLN NE2 N 15 112.141 0.223 . 1 . . . . 82 GLN NE2 . 17978 1 956 . 1 1 83 83 ILE H H 1 8.178 0.002 . 1 . . . . 83 ILE HN . 17978 1 957 . 1 1 83 83 ILE HA H 1 3.912 0.003 . 1 . . . . 83 ILE HA . 17978 1 958 . 1 1 83 83 ILE HB H 1 1.756 0.004 . 1 . . . . 83 ILE HB . 17978 1 959 . 1 1 83 83 ILE HG12 H 1 1.467 0.006 . 2 . . . . 83 ILE HG12 . 17978 1 960 . 1 1 83 83 ILE HG13 H 1 1.143 0.004 . 2 . . . . 83 ILE HG13 . 17978 1 961 . 1 1 83 83 ILE HG21 H 1 0.831 0.002 . 1 . . . . 83 ILE QG2 . 17978 1 962 . 1 1 83 83 ILE HG22 H 1 0.831 0.002 . 1 . . . . 83 ILE QG2 . 17978 1 963 . 1 1 83 83 ILE HG23 H 1 0.831 0.002 . 1 . . . . 83 ILE QG2 . 17978 1 964 . 1 1 83 83 ILE HD11 H 1 0.804 0.004 . 1 . . . . 83 ILE QD1 . 17978 1 965 . 1 1 83 83 ILE HD12 H 1 0.804 0.004 . 1 . . . . 83 ILE QD1 . 17978 1 966 . 1 1 83 83 ILE HD13 H 1 0.804 0.004 . 1 . . . . 83 ILE QD1 . 17978 1 967 . 1 1 83 83 ILE C C 13 177.123 0.035 . 1 . . . . 83 ILE C . 17978 1 968 . 1 1 83 83 ILE CA C 13 62.259 0.045 . 1 . . . . 83 ILE CA . 17978 1 969 . 1 1 83 83 ILE CB C 13 37.843 0.068 . 1 . . . . 83 ILE CB . 17978 1 970 . 1 1 83 83 ILE CG1 C 13 27.800 0.036 . 1 . . . . 83 ILE CG1 . 17978 1 971 . 1 1 83 83 ILE CG2 C 13 17.069 0.016 . 1 . . . . 83 ILE CG2 . 17978 1 972 . 1 1 83 83 ILE CD1 C 13 12.883 0.083 . 1 . . . . 83 ILE CD1 . 17978 1 973 . 1 1 83 83 ILE N N 15 122.975 0.102 . 1 . . . . 83 ILE N . 17978 1 974 . 1 1 84 84 GLY H H 1 8.589 0.002 . 1 . . . . 84 GLY HN . 17978 1 975 . 1 1 84 84 GLY HA2 H 1 3.645 0.002 . 2 . . . . 84 GLY HA2 . 17978 1 976 . 1 1 84 84 GLY HA3 H 1 4.075 0.004 . 2 . . . . 84 GLY HA3 . 17978 1 977 . 1 1 84 84 GLY C C 13 174.009 0.006 . 1 . . . . 84 GLY C . 17978 1 978 . 1 1 84 84 GLY CA C 13 45.330 0.064 . 1 . . . . 84 GLY CA . 17978 1 979 . 1 1 84 84 GLY N N 15 114.059 0.134 . 1 . . . . 84 GLY N . 17978 1 980 . 1 1 85 85 LEU H H 1 7.798 0.001 . 1 . . . . 85 LEU HN . 17978 1 981 . 1 1 85 85 LEU HA H 1 4.568 0.004 . 1 . . . . 85 LEU HA . 17978 1 982 . 1 1 85 85 LEU HB2 H 1 1.683 0.001 . 2 . . . . 85 LEU HB2 . 17978 1 983 . 1 1 85 85 LEU HB3 H 1 1.624 0.002 . 2 . . . . 85 LEU HB3 . 17978 1 984 . 1 1 85 85 LEU HG H 1 1.517 0.001 . 1 . . . . 85 LEU HG . 17978 1 985 . 1 1 85 85 LEU HD11 H 1 0.871 0.001 . 2 . . . . 85 LEU QD1 . 17978 1 986 . 1 1 85 85 LEU HD12 H 1 0.871 0.001 . 2 . . . . 85 LEU QD1 . 17978 1 987 . 1 1 85 85 LEU HD13 H 1 0.871 0.001 . 2 . . . . 85 LEU QD1 . 17978 1 988 . 1 1 85 85 LEU HD21 H 1 0.826 0.002 . 2 . . . . 85 LEU QD2 . 17978 1 989 . 1 1 85 85 LEU HD22 H 1 0.826 0.002 . 2 . . . . 85 LEU QD2 . 17978 1 990 . 1 1 85 85 LEU HD23 H 1 0.826 0.002 . 2 . . . . 85 LEU QD2 . 17978 1 991 . 1 1 85 85 LEU C C 13 177.715 0.012 . 1 . . . . 85 LEU C . 17978 1 992 . 1 1 85 85 LEU CA C 13 54.541 0.065 . 1 . . . . 85 LEU CA . 17978 1 993 . 1 1 85 85 LEU CB C 13 42.619 0.054 . 1 . . . . 85 LEU CB . 17978 1 994 . 1 1 85 85 LEU CG C 13 27.035 0.029 . 1 . . . . 85 LEU CG . 17978 1 995 . 1 1 85 85 LEU CD1 C 13 25.265 0.046 . 2 . . . . 85 LEU CD1 . 17978 1 996 . 1 1 85 85 LEU CD2 C 13 23.462 0.114 . 2 . . . . 85 LEU CD2 . 17978 1 997 . 1 1 85 85 LEU N N 15 121.427 0.076 . 1 . . . . 85 LEU N . 17978 1 998 . 1 1 86 86 VAL H H 1 8.159 0.003 . 1 . . . . 86 VAL HN . 17978 1 999 . 1 1 86 86 VAL HA H 1 4.091 0.002 . 1 . . . . 86 VAL HA . 17978 1 1000 . 1 1 86 86 VAL HB H 1 2.118 0.005 . 1 . . . . 86 VAL HB . 17978 1 1001 . 1 1 86 86 VAL HG11 H 1 0.872 0.005 . 2 . . . . 86 VAL QG1 . 17978 1 1002 . 1 1 86 86 VAL HG12 H 1 0.872 0.005 . 2 . . . . 86 VAL QG1 . 17978 1 1003 . 1 1 86 86 VAL HG13 H 1 0.872 0.005 . 2 . . . . 86 VAL QG1 . 17978 1 1004 . 1 1 86 86 VAL HG21 H 1 0.884 0.001 . 2 . . . . 86 VAL QG2 . 17978 1 1005 . 1 1 86 86 VAL HG22 H 1 0.884 0.001 . 2 . . . . 86 VAL QG2 . 17978 1 1006 . 1 1 86 86 VAL HG23 H 1 0.884 0.001 . 2 . . . . 86 VAL QG2 . 17978 1 1007 . 1 1 86 86 VAL C C 13 175.564 0.015 . 1 . . . . 86 VAL C . 17978 1 1008 . 1 1 86 86 VAL CA C 13 63.032 0.034 . 1 . . . . 86 VAL CA . 17978 1 1009 . 1 1 86 86 VAL CB C 13 32.552 0.039 . 1 . . . . 86 VAL CB . 17978 1 1010 . 1 1 86 86 VAL CG1 C 13 20.165 0.203 . 2 . . . . 86 VAL CG1 . 17978 1 1011 . 1 1 86 86 VAL CG2 C 13 21.289 0.036 . 2 . . . . 86 VAL CG2 . 17978 1 1012 . 1 1 86 86 VAL N N 15 118.694 0.073 . 1 . . . . 86 VAL N . 17978 1 1013 . 1 1 87 87 ASN H H 1 7.763 0.002 . 1 . . . . 87 ASN HN . 17978 1 1014 . 1 1 87 87 ASN HA H 1 5.369 0.010 . 1 . . . . 87 ASN HA . 17978 1 1015 . 1 1 87 87 ASN HB2 H 1 2.513 0.004 . 2 . . . . 87 ASN QB . 17978 1 1016 . 1 1 87 87 ASN HB3 H 1 2.513 0.004 . 2 . . . . 87 ASN QB . 17978 1 1017 . 1 1 87 87 ASN HD21 H 1 7.284 0.003 . 2 . . . . 87 ASN HD21 . 17978 1 1018 . 1 1 87 87 ASN HD22 H 1 6.696 0.004 . 2 . . . . 87 ASN HD22 . 17978 1 1019 . 1 1 87 87 ASN C C 13 174.974 0.010 . 1 . . . . 87 ASN C . 17978 1 1020 . 1 1 87 87 ASN CA C 13 52.534 0.116 . 1 . . . . 87 ASN CA . 17978 1 1021 . 1 1 87 87 ASN CB C 13 40.942 0.067 . 1 . . . . 87 ASN CB . 17978 1 1022 . 1 1 87 87 ASN N N 15 118.070 0.101 . 1 . . . . 87 ASN N . 17978 1 1023 . 1 1 87 87 ASN ND2 N 15 112.151 0.182 . 1 . . . . 87 ASN ND2 . 17978 1 1024 . 1 1 88 88 ILE H H 1 8.716 0.002 . 1 . . . . 88 ILE HN . 17978 1 1025 . 1 1 88 88 ILE HA H 1 4.357 0.002 . 1 . . . . 88 ILE HA . 17978 1 1026 . 1 1 88 88 ILE HB H 1 1.842 0.003 . 1 . . . . 88 ILE HB . 17978 1 1027 . 1 1 88 88 ILE HG12 H 1 1.333 0.001 . 2 . . . . 88 ILE HG12 . 17978 1 1028 . 1 1 88 88 ILE HG13 H 1 0.891 0.002 . 2 . . . . 88 ILE HG13 . 17978 1 1029 . 1 1 88 88 ILE HG21 H 1 0.714 0.003 . 1 . . . . 88 ILE QG2 . 17978 1 1030 . 1 1 88 88 ILE HG22 H 1 0.714 0.003 . 1 . . . . 88 ILE QG2 . 17978 1 1031 . 1 1 88 88 ILE HG23 H 1 0.714 0.003 . 1 . . . . 88 ILE QG2 . 17978 1 1032 . 1 1 88 88 ILE HD11 H 1 0.693 0.001 . 1 . . . . 88 ILE QD1 . 17978 1 1033 . 1 1 88 88 ILE HD12 H 1 0.693 0.001 . 1 . . . . 88 ILE QD1 . 17978 1 1034 . 1 1 88 88 ILE HD13 H 1 0.693 0.001 . 1 . . . . 88 ILE QD1 . 17978 1 1035 . 1 1 88 88 ILE C C 13 174.332 0.025 . 1 . . . . 88 ILE C . 17978 1 1036 . 1 1 88 88 ILE CA C 13 60.371 0.101 . 1 . . . . 88 ILE CA . 17978 1 1037 . 1 1 88 88 ILE CB C 13 40.449 0.045 . 1 . . . . 88 ILE CB . 17978 1 1038 . 1 1 88 88 ILE CG1 C 13 25.475 0.012 . 1 . . . . 88 ILE CG1 . 17978 1 1039 . 1 1 88 88 ILE CG2 C 13 18.125 0.022 . 1 . . . . 88 ILE CG2 . 17978 1 1040 . 1 1 88 88 ILE CD1 C 13 13.725 0.043 . 1 . . . . 88 ILE CD1 . 17978 1 1041 . 1 1 88 88 ILE N N 15 117.282 0.081 . 1 . . . . 88 ILE N . 17978 1 1042 . 1 1 89 89 GLN H H 1 8.069 0.002 . 1 . . . . 89 GLN HN . 17978 1 1043 . 1 1 89 89 GLN HA H 1 5.064 0.003 . 1 . . . . 89 GLN HA . 17978 1 1044 . 1 1 89 89 GLN HB2 H 1 1.881 0.001 . 2 . . . . 89 GLN HB2 . 17978 1 1045 . 1 1 89 89 GLN HB3 H 1 1.712 0.000 . 2 . . . . 89 GLN HB3 . 17978 1 1046 . 1 1 89 89 GLN HG2 H 1 2.198 0.002 . 2 . . . . 89 GLN HG2 . 17978 1 1047 . 1 1 89 89 GLN HG3 H 1 2.144 0.003 . 2 . . . . 89 GLN HG3 . 17978 1 1048 . 1 1 89 89 GLN HE21 H 1 7.482 0.004 . 2 . . . . 89 GLN HE21 . 17978 1 1049 . 1 1 89 89 GLN HE22 H 1 6.533 0.001 . 2 . . . . 89 GLN HE22 . 17978 1 1050 . 1 1 89 89 GLN C C 13 177.101 0.017 . 1 . . . . 89 GLN C . 17978 1 1051 . 1 1 89 89 GLN CA C 13 54.780 0.080 . 1 . . . . 89 GLN CA . 17978 1 1052 . 1 1 89 89 GLN CB C 13 30.846 0.048 . 1 . . . . 89 GLN CB . 17978 1 1053 . 1 1 89 89 GLN CG C 13 33.841 0.060 . 1 . . . . 89 GLN CG . 17978 1 1054 . 1 1 89 89 GLN N N 15 119.648 0.049 . 1 . . . . 89 GLN N . 17978 1 1055 . 1 1 89 89 GLN NE2 N 15 111.953 0.009 . 1 . . . . 89 GLN NE2 . 17978 1 1056 . 1 1 90 90 CYS H H 1 9.110 0.003 . 1 . . . . 90 CYS HN . 17978 1 1057 . 1 1 90 90 CYS HA H 1 5.833 0.002 . 1 . . . . 90 CYS HA . 17978 1 1058 . 1 1 90 90 CYS HB2 H 1 2.824 0.002 . 2 . . . . 90 CYS HB2 . 17978 1 1059 . 1 1 90 90 CYS HB3 H 1 2.613 0.004 . 2 . . . . 90 CYS HB3 . 17978 1 1060 . 1 1 90 90 CYS C C 13 172.900 0.024 . 1 . . . . 90 CYS C . 17978 1 1061 . 1 1 90 90 CYS CA C 13 55.557 0.061 . 1 . . . . 90 CYS CA . 17978 1 1062 . 1 1 90 90 CYS CB C 13 50.858 0.092 . 1 . . . . 90 CYS CB . 17978 1 1063 . 1 1 90 90 CYS N N 15 121.680 0.060 . 1 . . . . 90 CYS N . 17978 1 1064 . 1 1 91 91 THR H H 1 8.610 0.003 . 1 . . . . 91 THR HN . 17978 1 1065 . 1 1 91 91 THR HA H 1 4.864 0.002 . 1 . . . . 91 THR HA . 17978 1 1066 . 1 1 91 91 THR HB H 1 3.938 0.010 . 1 . . . . 91 THR HB . 17978 1 1067 . 1 1 91 91 THR HG21 H 1 1.048 0.001 . 1 . . . . 91 THR QG2 . 17978 1 1068 . 1 1 91 91 THR HG22 H 1 1.048 0.001 . 1 . . . . 91 THR QG2 . 17978 1 1069 . 1 1 91 91 THR HG23 H 1 1.048 0.001 . 1 . . . . 91 THR QG2 . 17978 1 1070 . 1 1 91 91 THR C C 13 172.155 0.000 . 1 . . . . 91 THR C . 17978 1 1071 . 1 1 91 91 THR CA C 13 58.167 0.049 . 1 . . . . 91 THR CA . 17978 1 1072 . 1 1 91 91 THR CB C 13 70.826 0.050 . 1 . . . . 91 THR CB . 17978 1 1073 . 1 1 91 91 THR CG2 C 13 21.362 0.075 . 1 . . . . 91 THR CG2 . 17978 1 1074 . 1 1 91 91 THR N N 15 114.763 0.110 . 1 . . . . 91 THR N . 17978 1 1075 . 1 1 92 92 PRO HA H 1 4.602 0.004 . 1 . . . . 92 PRO HA . 17978 1 1076 . 1 1 92 92 PRO HB2 H 1 1.998 0.003 . 2 . . . . 92 PRO HB2 . 17978 1 1077 . 1 1 92 92 PRO HB3 H 1 1.787 0.003 . 2 . . . . 92 PRO HB3 . 17978 1 1078 . 1 1 92 92 PRO HG2 H 1 2.045 0.000 . 2 . . . . 92 PRO QG . 17978 1 1079 . 1 1 92 92 PRO HG3 H 1 2.045 0.000 . 2 . . . . 92 PRO QG . 17978 1 1080 . 1 1 92 92 PRO HD2 H 1 3.776 0.001 . 2 . . . . 92 PRO HD2 . 17978 1 1081 . 1 1 92 92 PRO HD3 H 1 3.575 0.001 . 2 . . . . 92 PRO HD3 . 17978 1 1082 . 1 1 92 92 PRO C C 13 176.585 0.016 . 1 . . . . 92 PRO C . 17978 1 1083 . 1 1 92 92 PRO CA C 13 62.813 0.034 . 1 . . . . 92 PRO CA . 17978 1 1084 . 1 1 92 92 PRO CB C 13 32.161 0.081 . 1 . . . . 92 PRO CB . 17978 1 1085 . 1 1 92 92 PRO CG C 13 27.493 0.028 . 1 . . . . 92 PRO CG . 17978 1 1086 . 1 1 92 92 PRO CD C 13 50.862 0.034 . 1 . . . . 92 PRO CD . 17978 1 1087 . 1 1 93 93 ILE H H 1 8.296 0.001 . 1 . . . . 93 ILE HN . 17978 1 1088 . 1 1 93 93 ILE HA H 1 4.075 0.003 . 1 . . . . 93 ILE HA . 17978 1 1089 . 1 1 93 93 ILE HB H 1 1.580 0.002 . 1 . . . . 93 ILE HB . 17978 1 1090 . 1 1 93 93 ILE HG12 H 1 1.416 0.002 . 2 . . . . 93 ILE HG12 . 17978 1 1091 . 1 1 93 93 ILE HG13 H 1 0.970 0.001 . 2 . . . . 93 ILE HG13 . 17978 1 1092 . 1 1 93 93 ILE HG21 H 1 0.752 0.002 . 1 . . . . 93 ILE QG2 . 17978 1 1093 . 1 1 93 93 ILE HG22 H 1 0.752 0.002 . 1 . . . . 93 ILE QG2 . 17978 1 1094 . 1 1 93 93 ILE HG23 H 1 0.752 0.002 . 1 . . . . 93 ILE QG2 . 17978 1 1095 . 1 1 93 93 ILE HD11 H 1 0.754 0.001 . 1 . . . . 93 ILE QD1 . 17978 1 1096 . 1 1 93 93 ILE HD12 H 1 0.754 0.001 . 1 . . . . 93 ILE QD1 . 17978 1 1097 . 1 1 93 93 ILE HD13 H 1 0.754 0.001 . 1 . . . . 93 ILE QD1 . 17978 1 1098 . 1 1 93 93 ILE C C 13 175.203 0.017 . 1 . . . . 93 ILE C . 17978 1 1099 . 1 1 93 93 ILE CA C 13 62.092 0.044 . 1 . . . . 93 ILE CA . 17978 1 1100 . 1 1 93 93 ILE CB C 13 38.085 0.062 . 1 . . . . 93 ILE CB . 17978 1 1101 . 1 1 93 93 ILE CG1 C 13 27.949 0.047 . 1 . . . . 93 ILE CG1 . 17978 1 1102 . 1 1 93 93 ILE CG2 C 13 17.498 0.059 . 1 . . . . 93 ILE CG2 . 17978 1 1103 . 1 1 93 93 ILE CD1 C 13 14.246 0.053 . 1 . . . . 93 ILE CD1 . 17978 1 1104 . 1 1 93 93 ILE N N 15 121.386 0.106 . 1 . . . . 93 ILE N . 17978 1 1105 . 1 1 94 94 LEU H H 1 8.345 0.002 . 1 . . . . 94 LEU HN . 17978 1 1106 . 1 1 94 94 LEU HA H 1 4.452 0.003 . 1 . . . . 94 LEU HA . 17978 1 1107 . 1 1 94 94 LEU HB2 H 1 1.605 0.001 . 2 . . . . 94 LEU HB2 . 17978 1 1108 . 1 1 94 94 LEU HB3 H 1 1.580 0.001 . 2 . . . . 94 LEU HB3 . 17978 1 1109 . 1 1 94 94 LEU HG H 1 1.476 0.005 . 1 . . . . 94 LEU HG . 17978 1 1110 . 1 1 94 94 LEU HD11 H 1 0.834 0.001 . 2 . . . . 94 LEU QD1 . 17978 1 1111 . 1 1 94 94 LEU HD12 H 1 0.834 0.001 . 2 . . . . 94 LEU QD1 . 17978 1 1112 . 1 1 94 94 LEU HD13 H 1 0.834 0.001 . 2 . . . . 94 LEU QD1 . 17978 1 1113 . 1 1 94 94 LEU HD21 H 1 0.815 0.001 . 2 . . . . 94 LEU QD2 . 17978 1 1114 . 1 1 94 94 LEU HD22 H 1 0.815 0.001 . 2 . . . . 94 LEU QD2 . 17978 1 1115 . 1 1 94 94 LEU HD23 H 1 0.815 0.001 . 2 . . . . 94 LEU QD2 . 17978 1 1116 . 1 1 94 94 LEU C C 13 176.048 0.076 . 1 . . . . 94 LEU C . 17978 1 1117 . 1 1 94 94 LEU CA C 13 54.507 0.060 . 1 . . . . 94 LEU CA . 17978 1 1118 . 1 1 94 94 LEU CB C 13 42.717 0.010 . 1 . . . . 94 LEU CB . 17978 1 1119 . 1 1 94 94 LEU CG C 13 27.055 0.035 . 1 . . . . 94 LEU CG . 17978 1 1120 . 1 1 94 94 LEU CD1 C 13 25.316 0.036 . 2 . . . . 94 LEU CD1 . 17978 1 1121 . 1 1 94 94 LEU CD2 C 13 23.224 0.013 . 2 . . . . 94 LEU CD2 . 17978 1 1122 . 1 1 94 94 LEU N N 15 126.768 0.120 . 1 . . . . 94 LEU N . 17978 1 1123 . 1 1 95 95 SER H H 1 7.846 0.002 . 1 . . . . 95 SER HN . 17978 1 1124 . 1 1 95 95 SER HA H 1 4.135 0.002 . 1 . . . . 95 SER HA . 17978 1 1125 . 1 1 95 95 SER HB2 H 1 3.740 0.001 . 2 . . . . 95 SER QB . 17978 1 1126 . 1 1 95 95 SER HB3 H 1 3.740 0.001 . 2 . . . . 95 SER QB . 17978 1 1127 . 1 1 95 95 SER C C 13 178.437 0.000 . 1 . . . . 95 SER C . 17978 1 1128 . 1 1 95 95 SER CA C 13 59.985 0.127 . 1 . . . . 95 SER CA . 17978 1 1129 . 1 1 95 95 SER CB C 13 64.728 0.112 . 1 . . . . 95 SER CB . 17978 1 1130 . 1 1 95 95 SER N N 15 121.226 0.064 . 1 . . . . 95 SER N . 17978 1 stop_ save_