data_50338 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50338 _Entry.Title ; 1H, 13C, 15N resonance assignment of the apo form of the small, chitin-active lytic polysaccharide monooxygenase JdLPMO10A from Jonesia denitrificans ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-06-23 _Entry.Accession_date 2020-06-23 _Entry.Last_release_date 2020-06-23 _Entry.Original_release_date 2020-06-23 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Idd Christensen . . . 0000-0001-6229-2211 50338 2 Finn Aachmann . . . 0000-0003-1613-4663 50338 3 Gaston Courtade . . . 0000-0002-1644-3223 50338 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50338 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 415 50338 '15N chemical shifts' 124 50338 '1H chemical shifts' 501 50338 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 . . 2021-04-12 2020-06-23 update BMRB 'update entry citation' 50338 1 . . 2021-01-08 2020-06-23 original author 'original release' 50338 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50338 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33215349 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C, 15N resonance assignment of the apo form of the small, chitin-active lytic polysaccharide monooxygenase JdLPMO10A from Jonesia denitrificans ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 15 _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 79 _Citation.Page_last 84 _Citation.Year 2021 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Idd Christensen . A. . . 50338 1 2 Vincent Eijsink . G.H. . . 50338 1 3 Finn Aachmann . L. . . 50338 1 4 Gaston Courtade . . . . 50338 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'lytic polysaccharide monooxygenase (LPMO), chitin' 50338 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50338 _Assembly.ID 1 _Assembly.Name JdLPMO10A _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 JdLPMO10A 1 $entity_1 . . yes native no no . . . 50338 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_asym_ID_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_asym_ID_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 14 14 SG . 1 . 1 CYS 23 23 SG . . . . . . . . . . . . 50338 1 2 disulfide single . 1 . 1 CYS 42 42 SG . 1 . 1 CYS 136 136 SG . . . . . . . . . . . . 50338 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50338 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; HGWVTDPPSRQALCASGETS FDCGQISYEPQSVEAPKGAT TCSGGNEAFAILDDNSKPWP TTEIASTVDLTWKLTAPHNT STWEYFVDGQLHQTFDQKGQ QPPTSLTHTLTDLPTGEHTI LARWNVSNTNNAFYNCMDVV VS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 142 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . HIS . 50338 1 2 . GLY . 50338 1 3 . TRP . 50338 1 4 . VAL . 50338 1 5 . THR . 50338 1 6 . ASP . 50338 1 7 . PRO . 50338 1 8 . PRO . 50338 1 9 . SER . 50338 1 10 . ARG . 50338 1 11 . GLN . 50338 1 12 . ALA . 50338 1 13 . LEU . 50338 1 14 . CYS . 50338 1 15 . ALA . 50338 1 16 . SER . 50338 1 17 . GLY . 50338 1 18 . GLU . 50338 1 19 . THR . 50338 1 20 . SER . 50338 1 21 . PHE . 50338 1 22 . ASP . 50338 1 23 . CYS . 50338 1 24 . GLY . 50338 1 25 . GLN . 50338 1 26 . ILE . 50338 1 27 . SER . 50338 1 28 . TYR . 50338 1 29 . GLU . 50338 1 30 . PRO . 50338 1 31 . GLN . 50338 1 32 . SER . 50338 1 33 . VAL . 50338 1 34 . GLU . 50338 1 35 . ALA . 50338 1 36 . PRO . 50338 1 37 . LYS . 50338 1 38 . GLY . 50338 1 39 . ALA . 50338 1 40 . THR . 50338 1 41 . THR . 50338 1 42 . CYS . 50338 1 43 . SER . 50338 1 44 . GLY . 50338 1 45 . GLY . 50338 1 46 . ASN . 50338 1 47 . GLU . 50338 1 48 . ALA . 50338 1 49 . PHE . 50338 1 50 . ALA . 50338 1 51 . ILE . 50338 1 52 . LEU . 50338 1 53 . ASP . 50338 1 54 . ASP . 50338 1 55 . ASN . 50338 1 56 . SER . 50338 1 57 . LYS . 50338 1 58 . PRO . 50338 1 59 . TRP . 50338 1 60 . PRO . 50338 1 61 . THR . 50338 1 62 . THR . 50338 1 63 . GLU . 50338 1 64 . ILE . 50338 1 65 . ALA . 50338 1 66 . SER . 50338 1 67 . THR . 50338 1 68 . VAL . 50338 1 69 . ASP . 50338 1 70 . LEU . 50338 1 71 . THR . 50338 1 72 . TRP . 50338 1 73 . LYS . 50338 1 74 . LEU . 50338 1 75 . THR . 50338 1 76 . ALA . 50338 1 77 . PRO . 50338 1 78 . HIS . 50338 1 79 . ASN . 50338 1 80 . THR . 50338 1 81 . SER . 50338 1 82 . THR . 50338 1 83 . TRP . 50338 1 84 . GLU . 50338 1 85 . TYR . 50338 1 86 . PHE . 50338 1 87 . VAL . 50338 1 88 . ASP . 50338 1 89 . GLY . 50338 1 90 . GLN . 50338 1 91 . LEU . 50338 1 92 . HIS . 50338 1 93 . GLN . 50338 1 94 . THR . 50338 1 95 . PHE . 50338 1 96 . ASP . 50338 1 97 . GLN . 50338 1 98 . LYS . 50338 1 99 . GLY . 50338 1 100 . GLN . 50338 1 101 . GLN . 50338 1 102 . PRO . 50338 1 103 . PRO . 50338 1 104 . THR . 50338 1 105 . SER . 50338 1 106 . LEU . 50338 1 107 . THR . 50338 1 108 . HIS . 50338 1 109 . THR . 50338 1 110 . LEU . 50338 1 111 . THR . 50338 1 112 . ASP . 50338 1 113 . LEU . 50338 1 114 . PRO . 50338 1 115 . THR . 50338 1 116 . GLY . 50338 1 117 . GLU . 50338 1 118 . HIS . 50338 1 119 . THR . 50338 1 120 . ILE . 50338 1 121 . LEU . 50338 1 122 . ALA . 50338 1 123 . ARG . 50338 1 124 . TRP . 50338 1 125 . ASN . 50338 1 126 . VAL . 50338 1 127 . SER . 50338 1 128 . ASN . 50338 1 129 . THR . 50338 1 130 . ASN . 50338 1 131 . ASN . 50338 1 132 . ALA . 50338 1 133 . PHE . 50338 1 134 . TYR . 50338 1 135 . ASN . 50338 1 136 . CYS . 50338 1 137 . MET . 50338 1 138 . ASP . 50338 1 139 . VAL . 50338 1 140 . VAL . 50338 1 141 . VAL . 50338 1 142 . SER . 50338 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . HIS 1 1 50338 1 . GLY 2 2 50338 1 . TRP 3 3 50338 1 . VAL 4 4 50338 1 . THR 5 5 50338 1 . ASP 6 6 50338 1 . PRO 7 7 50338 1 . PRO 8 8 50338 1 . SER 9 9 50338 1 . ARG 10 10 50338 1 . GLN 11 11 50338 1 . ALA 12 12 50338 1 . LEU 13 13 50338 1 . CYS 14 14 50338 1 . ALA 15 15 50338 1 . SER 16 16 50338 1 . GLY 17 17 50338 1 . GLU 18 18 50338 1 . THR 19 19 50338 1 . SER 20 20 50338 1 . PHE 21 21 50338 1 . ASP 22 22 50338 1 . CYS 23 23 50338 1 . GLY 24 24 50338 1 . GLN 25 25 50338 1 . ILE 26 26 50338 1 . SER 27 27 50338 1 . TYR 28 28 50338 1 . GLU 29 29 50338 1 . PRO 30 30 50338 1 . GLN 31 31 50338 1 . SER 32 32 50338 1 . VAL 33 33 50338 1 . GLU 34 34 50338 1 . ALA 35 35 50338 1 . PRO 36 36 50338 1 . LYS 37 37 50338 1 . GLY 38 38 50338 1 . ALA 39 39 50338 1 . THR 40 40 50338 1 . THR 41 41 50338 1 . CYS 42 42 50338 1 . SER 43 43 50338 1 . GLY 44 44 50338 1 . GLY 45 45 50338 1 . ASN 46 46 50338 1 . GLU 47 47 50338 1 . ALA 48 48 50338 1 . PHE 49 49 50338 1 . ALA 50 50 50338 1 . ILE 51 51 50338 1 . LEU 52 52 50338 1 . ASP 53 53 50338 1 . ASP 54 54 50338 1 . ASN 55 55 50338 1 . SER 56 56 50338 1 . LYS 57 57 50338 1 . PRO 58 58 50338 1 . TRP 59 59 50338 1 . PRO 60 60 50338 1 . THR 61 61 50338 1 . THR 62 62 50338 1 . GLU 63 63 50338 1 . ILE 64 64 50338 1 . ALA 65 65 50338 1 . SER 66 66 50338 1 . THR 67 67 50338 1 . VAL 68 68 50338 1 . ASP 69 69 50338 1 . LEU 70 70 50338 1 . THR 71 71 50338 1 . TRP 72 72 50338 1 . LYS 73 73 50338 1 . LEU 74 74 50338 1 . THR 75 75 50338 1 . ALA 76 76 50338 1 . PRO 77 77 50338 1 . HIS 78 78 50338 1 . ASN 79 79 50338 1 . THR 80 80 50338 1 . SER 81 81 50338 1 . THR 82 82 50338 1 . TRP 83 83 50338 1 . GLU 84 84 50338 1 . TYR 85 85 50338 1 . PHE 86 86 50338 1 . VAL 87 87 50338 1 . ASP 88 88 50338 1 . GLY 89 89 50338 1 . GLN 90 90 50338 1 . LEU 91 91 50338 1 . HIS 92 92 50338 1 . GLN 93 93 50338 1 . THR 94 94 50338 1 . PHE 95 95 50338 1 . ASP 96 96 50338 1 . GLN 97 97 50338 1 . LYS 98 98 50338 1 . GLY 99 99 50338 1 . GLN 100 100 50338 1 . GLN 101 101 50338 1 . PRO 102 102 50338 1 . PRO 103 103 50338 1 . THR 104 104 50338 1 . SER 105 105 50338 1 . LEU 106 106 50338 1 . THR 107 107 50338 1 . HIS 108 108 50338 1 . THR 109 109 50338 1 . LEU 110 110 50338 1 . THR 111 111 50338 1 . ASP 112 112 50338 1 . LEU 113 113 50338 1 . PRO 114 114 50338 1 . THR 115 115 50338 1 . GLY 116 116 50338 1 . GLU 117 117 50338 1 . HIS 118 118 50338 1 . THR 119 119 50338 1 . ILE 120 120 50338 1 . LEU 121 121 50338 1 . ALA 122 122 50338 1 . ARG 123 123 50338 1 . TRP 124 124 50338 1 . ASN 125 125 50338 1 . VAL 126 126 50338 1 . SER 127 127 50338 1 . ASN 128 128 50338 1 . THR 129 129 50338 1 . ASN 130 130 50338 1 . ASN 131 131 50338 1 . ALA 132 132 50338 1 . PHE 133 133 50338 1 . TYR 134 134 50338 1 . ASN 135 135 50338 1 . CYS 136 136 50338 1 . MET 137 137 50338 1 . ASP 138 138 50338 1 . VAL 139 139 50338 1 . VAL 140 140 50338 1 . VAL 141 141 50338 1 . SER 142 142 50338 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50338 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 43674 organism . 'Jonesia denitrificans' 'Jonesia denitrificans' . . Bacteria . Jonesia denitrificans . . . . . . . . . . . . . 50338 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50338 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'T7 express' . . plasmid . . pJB_PmXylS . . . 50338 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50338 _Sample.ID 1 _Sample.Name 15N_sample _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 JdLPMO10A '[U-98% 15N]' . . 1 $entity_1 . . 200 . . uM . . . . 50338 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 50338 1 3 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 50338 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 50338 _Sample.ID 2 _Sample.Name 13C_15N_Sample _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 JdLPMO10A '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 200 . . uM . . . . 50338 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 50338 2 3 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 50338 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 50338 _Sample.ID 3 _Sample.Name 13C_15N_Sample_D2O _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 JdLPMO10A '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 200 . . uM . . . . 50338 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 50338 3 3 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 50338 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 50338 _Sample_condition_list.ID 1 _Sample_condition_list.Name Condtions _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' 15 . mM 50338 1 pH 5.5 . pH 50338 1 pressure 1 . atm 50338 1 temperature 298.1 . K 50338 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50338 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.0.7 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50338 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50338 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version 1.5.5 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50338 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50338 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name Spectrometer _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50338 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50338 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50338 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50338 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50338 1 5 '3D HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50338 1 6 '3D HNCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50338 1 7 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50338 1 8 '3D HN(CO)CA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50338 1 9 '3D C(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50338 1 10 '3D CBCA(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50338 1 11 '2D 1H-13C HSQC' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50338 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50338 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50338 1 14 '3D 1H-13C NOESY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50338 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50338 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Reference _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.7 internal indirect 0.2515038 . . . . . 50338 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 50338 1 N 15 water protons . . . . ppm 4.7 internal indirect 0.1013290 . . . . . 50338 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50338 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assignments _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50338 1 2 '2D 1H-15N HSQC' . . . 50338 1 3 '2D 1H-15N HSQC' . . . 50338 1 4 '3D CBCA(CO)NH' . . . 50338 1 5 '3D HNCO' . . . 50338 1 6 '3D HNCA' . . . 50338 1 7 '3D HNCACB' . . . 50338 1 8 '3D HN(CO)CA' . . . 50338 1 9 '3D C(CO)NH' . . . 50338 1 10 '3D CBCA(CO)NH' . . . 50338 1 11 '2D 1H-13C HSQC' . . . 50338 1 12 '3D HCCH-TOCSY' . . . 50338 1 13 '3D 1H-15N NOESY' . . . 50338 1 14 '3D 1H-13C NOESY' . . . 50338 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50338 1 2 $software_2 . . 50338 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 HIS C C 13 179.6 0.3 . 1 . . . . . 1 HIS C . 50338 1 2 . 1 . 1 1 1 HIS CA C 13 56.7 0.3 . 1 . . . . . 1 HIS CA . 50338 1 3 . 1 . 1 1 1 HIS CB C 13 32.6 0.3 . 1 . . . . . 1 HIS CB . 50338 1 4 . 1 . 1 2 2 GLY H H 1 8.43 0.03 . 1 . . . . . 2 GLY H . 50338 1 5 . 1 . 1 2 2 GLY C C 13 170.3 0.3 . 1 . . . . . 2 GLY C . 50338 1 6 . 1 . 1 2 2 GLY CA C 13 47.1 0.3 . 1 . . . . . 2 GLY CA . 50338 1 7 . 1 . 1 2 2 GLY N N 15 111.1 0.3 . 1 . . . . . 2 GLY N . 50338 1 8 . 1 . 1 3 3 TRP H H 1 9.52 0.03 . 1 . . . . . 3 TRP H . 50338 1 9 . 1 . 1 3 3 TRP C C 13 172.3 0.3 . 1 . . . . . 3 TRP C . 50338 1 10 . 1 . 1 3 3 TRP CA C 13 57.5 0.3 . 1 . . . . . 3 TRP CA . 50338 1 11 . 1 . 1 3 3 TRP CB C 13 33.1 0.3 . 1 . . . . . 3 TRP CB . 50338 1 12 . 1 . 1 3 3 TRP N N 15 121.1 0.3 . 1 . . . . . 3 TRP N . 50338 1 13 . 1 . 1 4 4 VAL H H 1 7.46 0.03 . 1 . . . . . 4 VAL H . 50338 1 14 . 1 . 1 4 4 VAL C C 13 177.6 0.3 . 1 . . . . . 4 VAL C . 50338 1 15 . 1 . 1 4 4 VAL CA C 13 62.2 0.3 . 1 . . . . . 4 VAL CA . 50338 1 16 . 1 . 1 4 4 VAL CB C 13 32.5 0.3 . 1 . . . . . 4 VAL CB . 50338 1 17 . 1 . 1 4 4 VAL N N 15 120.3 0.3 . 1 . . . . . 4 VAL N . 50338 1 18 . 1 . 1 5 5 THR H H 1 8.40 0.03 . 1 . . . . . 5 THR H . 50338 1 19 . 1 . 1 5 5 THR C C 13 174.9 0.3 . 1 . . . . . 5 THR C . 50338 1 20 . 1 . 1 5 5 THR CA C 13 62.2 0.3 . 1 . . . . . 5 THR CA . 50338 1 21 . 1 . 1 5 5 THR CB C 13 68.8 0.3 . 1 . . . . . 5 THR CB . 50338 1 22 . 1 . 1 5 5 THR N N 15 119.0 0.3 . 1 . . . . . 5 THR N . 50338 1 23 . 1 . 1 6 6 ASP H H 1 6.76 0.03 . 1 . . . . . 6 ASP H . 50338 1 24 . 1 . 1 6 6 ASP HA H 1 4.55 0.03 . 1 . . . . . 6 ASP HA . 50338 1 25 . 1 . 1 6 6 ASP HB2 H 1 2.33 0.03 . 1 . . . . . 6 ASP HB2 . 50338 1 26 . 1 . 1 6 6 ASP C C 13 173.1 0.3 . 1 . . . . . 6 ASP C . 50338 1 27 . 1 . 1 6 6 ASP CA C 13 52.7 0.3 . 1 . . . . . 6 ASP CA . 50338 1 28 . 1 . 1 6 6 ASP CB C 13 45.0 0.3 . 1 . . . . . 6 ASP CB . 50338 1 29 . 1 . 1 6 6 ASP N N 15 122.0 0.3 . 1 . . . . . 6 ASP N . 50338 1 30 . 1 . 1 8 8 PRO C C 13 177.8 0.3 . 1 . . . . . 8 PRO C . 50338 1 31 . 1 . 1 8 8 PRO CA C 13 64.1 0.3 . 1 . . . . . 8 PRO CA . 50338 1 32 . 1 . 1 8 8 PRO CB C 13 32.1 0.3 . 1 . . . . . 8 PRO CB . 50338 1 33 . 1 . 1 9 9 SER H H 1 7.03 0.03 . 1 . . . . . 9 SER H . 50338 1 34 . 1 . 1 9 9 SER HA H 1 4.71 0.03 . 1 . . . . . 9 SER HA . 50338 1 35 . 1 . 1 9 9 SER HB2 H 1 4.31 0.03 . 2 . . . . . 9 SER HB2 . 50338 1 36 . 1 . 1 9 9 SER HB3 H 1 4.25 0.03 . 2 . . . . . 9 SER HB3 . 50338 1 37 . 1 . 1 9 9 SER C C 13 176.1 0.3 . 1 . . . . . 9 SER C . 50338 1 38 . 1 . 1 9 9 SER CA C 13 57.3 0.3 . 1 . . . . . 9 SER CA . 50338 1 39 . 1 . 1 9 9 SER CB C 13 67.7 0.3 . 1 . . . . . 9 SER CB . 50338 1 40 . 1 . 1 9 9 SER N N 15 117.0 0.3 . 1 . . . . . 9 SER N . 50338 1 41 . 1 . 1 10 10 ARG H H 1 9.14 0.03 . 1 . . . . . 10 ARG H . 50338 1 42 . 1 . 1 10 10 ARG HA H 1 4.30 0.03 . 1 . . . . . 10 ARG HA . 50338 1 43 . 1 . 1 10 10 ARG HB2 H 1 1.75 0.03 . 1 . . . . . 10 ARG HB2 . 50338 1 44 . 1 . 1 10 10 ARG HG2 H 1 0.71 0.03 . 1 . . . . . 10 ARG HG2 . 50338 1 45 . 1 . 1 10 10 ARG HD2 H 1 3.57 0.03 . 1 . . . . . 10 ARG HD2 . 50338 1 46 . 1 . 1 10 10 ARG C C 13 179.0 0.3 . 1 . . . . . 10 ARG C . 50338 1 47 . 1 . 1 10 10 ARG CA C 13 62.1 0.3 . 1 . . . . . 10 ARG CA . 50338 1 48 . 1 . 1 10 10 ARG CB C 13 31.1 0.3 . 1 . . . . . 10 ARG CB . 50338 1 49 . 1 . 1 10 10 ARG N N 15 121.1 0.3 . 1 . . . . . 10 ARG N . 50338 1 50 . 1 . 1 11 11 GLN H H 1 9.81 0.03 . 1 . . . . . 11 GLN H . 50338 1 51 . 1 . 1 11 11 GLN HA H 1 3.89 0.03 . 1 . . . . . 11 GLN HA . 50338 1 52 . 1 . 1 11 11 GLN HB2 H 1 1.93 0.03 . 1 . . . . . 11 GLN HB2 . 50338 1 53 . 1 . 1 11 11 GLN HG2 H 1 1.98 0.03 . 1 . . . . . 11 GLN HG2 . 50338 1 54 . 1 . 1 11 11 GLN C C 13 177.7 0.3 . 1 . . . . . 11 GLN C . 50338 1 55 . 1 . 1 11 11 GLN CA C 13 58.8 0.3 . 1 . . . . . 11 GLN CA . 50338 1 56 . 1 . 1 11 11 GLN CB C 13 28.5 0.3 . 1 . . . . . 11 GLN CB . 50338 1 57 . 1 . 1 11 11 GLN N N 15 114.1 0.3 . 1 . . . . . 11 GLN N . 50338 1 58 . 1 . 1 12 12 ALA H H 1 7.59 0.03 . 1 . . . . . 12 ALA H . 50338 1 59 . 1 . 1 12 12 ALA HA H 1 4.02 0.03 . 1 . . . . . 12 ALA HA . 50338 1 60 . 1 . 1 12 12 ALA HB1 H 1 1.94 0.03 . 1 . . . . . 12 ALA HB . 50338 1 61 . 1 . 1 12 12 ALA HB2 H 1 1.94 0.03 . 1 . . . . . 12 ALA HB . 50338 1 62 . 1 . 1 12 12 ALA HB3 H 1 1.94 0.03 . 1 . . . . . 12 ALA HB . 50338 1 63 . 1 . 1 12 12 ALA C C 13 180.7 0.3 . 1 . . . . . 12 ALA C . 50338 1 64 . 1 . 1 12 12 ALA CA C 13 55.5 0.3 . 1 . . . . . 12 ALA CA . 50338 1 65 . 1 . 1 12 12 ALA CB C 13 18.0 0.3 . 1 . . . . . 12 ALA CB . 50338 1 66 . 1 . 1 12 12 ALA N N 15 125.8 0.3 . 1 . . . . . 12 ALA N . 50338 1 67 . 1 . 1 13 13 LEU H H 1 8.51 0.03 . 1 . . . . . 13 LEU H . 50338 1 68 . 1 . 1 13 13 LEU HA H 1 4.05 0.03 . 1 . . . . . 13 LEU HA . 50338 1 69 . 1 . 1 13 13 LEU HB2 H 1 2.21 0.03 . 1 . . . . . 13 LEU HB2 . 50338 1 70 . 1 . 1 13 13 LEU HG H 1 1.41 0.03 . 1 . . . . . 13 LEU HG . 50338 1 71 . 1 . 1 13 13 LEU HD11 H 1 1.02 0.03 . 1 . . . . . 13 LEU HD1 . 50338 1 72 . 1 . 1 13 13 LEU HD12 H 1 1.02 0.03 . 1 . . . . . 13 LEU HD1 . 50338 1 73 . 1 . 1 13 13 LEU HD13 H 1 1.02 0.03 . 1 . . . . . 13 LEU HD1 . 50338 1 74 . 1 . 1 13 13 LEU HD21 H 1 0.82 0.03 . 1 . . . . . 13 LEU HD2 . 50338 1 75 . 1 . 1 13 13 LEU HD22 H 1 0.82 0.03 . 1 . . . . . 13 LEU HD2 . 50338 1 76 . 1 . 1 13 13 LEU HD23 H 1 0.82 0.03 . 1 . . . . . 13 LEU HD2 . 50338 1 77 . 1 . 1 13 13 LEU C C 13 180.3 0.3 . 1 . . . . . 13 LEU C . 50338 1 78 . 1 . 1 13 13 LEU CA C 13 58.0 0.3 . 1 . . . . . 13 LEU CA . 50338 1 79 . 1 . 1 13 13 LEU CB C 13 42.1 0.3 . 1 . . . . . 13 LEU CB . 50338 1 80 . 1 . 1 13 13 LEU N N 15 120.6 0.3 . 1 . . . . . 13 LEU N . 50338 1 81 . 1 . 1 14 14 CYS H H 1 8.11 0.03 . 1 . . . . . 14 CYS H . 50338 1 82 . 1 . 1 14 14 CYS HA H 1 4.14 0.03 . 1 . . . . . 14 CYS HA . 50338 1 83 . 1 . 1 14 14 CYS HB2 H 1 3.19 0.03 . 2 . . . . . 14 CYS HB2 . 50338 1 84 . 1 . 1 14 14 CYS HB3 H 1 2.99 0.03 . 2 . . . . . 14 CYS HB3 . 50338 1 85 . 1 . 1 14 14 CYS C C 13 178.0 0.3 . 1 . . . . . 14 CYS C . 50338 1 86 . 1 . 1 14 14 CYS CA C 13 59.2 0.3 . 1 . . . . . 14 CYS CA . 50338 1 87 . 1 . 1 14 14 CYS CB C 13 38.4 0.3 . 1 . . . . . 14 CYS CB . 50338 1 88 . 1 . 1 14 14 CYS N N 15 117.9 0.3 . 1 . . . . . 14 CYS N . 50338 1 89 . 1 . 1 15 15 ALA H H 1 8.12 0.03 . 1 . . . . . 15 ALA H . 50338 1 90 . 1 . 1 15 15 ALA HA H 1 4.35 0.03 . 1 . . . . . 15 ALA HA . 50338 1 91 . 1 . 1 15 15 ALA HB1 H 1 1.24 0.03 . 1 . . . . . 15 ALA HB . 50338 1 92 . 1 . 1 15 15 ALA HB2 H 1 1.24 0.03 . 1 . . . . . 15 ALA HB . 50338 1 93 . 1 . 1 15 15 ALA HB3 H 1 1.24 0.03 . 1 . . . . . 15 ALA HB . 50338 1 94 . 1 . 1 15 15 ALA C C 13 179.1 0.3 . 1 . . . . . 15 ALA C . 50338 1 95 . 1 . 1 15 15 ALA CA C 13 55.0 0.3 . 1 . . . . . 15 ALA CA . 50338 1 96 . 1 . 1 15 15 ALA CB C 13 18.9 0.3 . 1 . . . . . 15 ALA CB . 50338 1 97 . 1 . 1 15 15 ALA N N 15 122.9 0.3 . 1 . . . . . 15 ALA N . 50338 1 98 . 1 . 1 16 16 SER H H 1 8.30 0.03 . 1 . . . . . 16 SER H . 50338 1 99 . 1 . 1 16 16 SER HA H 1 4.41 0.03 . 1 . . . . . 16 SER HA . 50338 1 100 . 1 . 1 16 16 SER HB2 H 1 3.74 0.03 . 1 . . . . . 16 SER HB2 . 50338 1 101 . 1 . 1 16 16 SER C C 13 175.2 0.3 . 1 . . . . . 16 SER C . 50338 1 102 . 1 . 1 16 16 SER CA C 13 59.0 0.3 . 1 . . . . . 16 SER CA . 50338 1 103 . 1 . 1 16 16 SER CB C 13 63.8 0.3 . 1 . . . . . 16 SER CB . 50338 1 104 . 1 . 1 16 16 SER N N 15 111.8 0.3 . 1 . . . . . 16 SER N . 50338 1 105 . 1 . 1 17 17 GLY H H 1 7.68 0.03 . 1 . . . . . 17 GLY H . 50338 1 106 . 1 . 1 17 17 GLY HA2 H 1 4.05 0.03 . 2 . . . . . 17 GLY HA2 . 50338 1 107 . 1 . 1 17 17 GLY HA3 H 1 4.01 0.03 . 2 . . . . . 17 GLY HA3 . 50338 1 108 . 1 . 1 17 17 GLY C C 13 175.6 0.3 . 1 . . . . . 17 GLY C . 50338 1 109 . 1 . 1 17 17 GLY CA C 13 46.5 0.3 . 1 . . . . . 17 GLY CA . 50338 1 110 . 1 . 1 17 17 GLY N N 15 109.9 0.3 . 1 . . . . . 17 GLY N . 50338 1 111 . 1 . 1 18 18 GLU H H 1 8.02 0.03 . 1 . . . . . 18 GLU H . 50338 1 112 . 1 . 1 18 18 GLU HA H 1 4.41 0.03 . 1 . . . . . 18 GLU HA . 50338 1 113 . 1 . 1 18 18 GLU HB2 H 1 2.27 0.03 . 1 . . . . . 18 GLU HB2 . 50338 1 114 . 1 . 1 18 18 GLU C C 13 176.6 0.3 . 1 . . . . . 18 GLU C . 50338 1 115 . 1 . 1 18 18 GLU CA C 13 56.2 0.3 . 1 . . . . . 18 GLU CA . 50338 1 116 . 1 . 1 18 18 GLU CB C 13 30.9 0.3 . 1 . . . . . 18 GLU CB . 50338 1 117 . 1 . 1 18 18 GLU N N 15 116.8 0.3 . 1 . . . . . 18 GLU N . 50338 1 118 . 1 . 1 19 19 THR H H 1 6.85 0.03 . 1 . . . . . 19 THR H . 50338 1 119 . 1 . 1 19 19 THR HA H 1 3.78 0.03 . 1 . . . . . 19 THR HA . 50338 1 120 . 1 . 1 19 19 THR HB H 1 4.12 0.03 . 1 . . . . . 19 THR HB . 50338 1 121 . 1 . 1 19 19 THR HG21 H 1 1.20 0.03 . 1 . . . . . 19 THR HG2 . 50338 1 122 . 1 . 1 19 19 THR HG22 H 1 1.20 0.03 . 1 . . . . . 19 THR HG2 . 50338 1 123 . 1 . 1 19 19 THR HG23 H 1 1.20 0.03 . 1 . . . . . 19 THR HG2 . 50338 1 124 . 1 . 1 19 19 THR C C 13 175.0 0.3 . 1 . . . . . 19 THR C . 50338 1 125 . 1 . 1 19 19 THR CA C 13 62.1 0.3 . 1 . . . . . 19 THR CA . 50338 1 126 . 1 . 1 19 19 THR CB C 13 69.4 0.3 . 1 . . . . . 19 THR CB . 50338 1 127 . 1 . 1 19 19 THR CG2 C 13 21.2 0.3 . 1 . . . . . 19 THR CG2 . 50338 1 128 . 1 . 1 19 19 THR N N 15 106.2 0.3 . 1 . . . . . 19 THR N . 50338 1 129 . 1 . 1 20 20 SER H H 1 8.63 0.03 . 1 . . . . . 20 SER H . 50338 1 130 . 1 . 1 20 20 SER HA H 1 4.74 0.03 . 1 . . . . . 20 SER HA . 50338 1 131 . 1 . 1 20 20 SER HB2 H 1 3.74 0.03 . 1 . . . . . 20 SER HB2 . 50338 1 132 . 1 . 1 20 20 SER C C 13 172.7 0.3 . 1 . . . . . 20 SER C . 50338 1 133 . 1 . 1 20 20 SER CA C 13 58.5 0.3 . 1 . . . . . 20 SER CA . 50338 1 134 . 1 . 1 20 20 SER CB C 13 63.0 0.3 . 1 . . . . . 20 SER CB . 50338 1 135 . 1 . 1 20 20 SER N N 15 115.9 0.3 . 1 . . . . . 20 SER N . 50338 1 136 . 1 . 1 21 21 PHE H H 1 6.30 0.03 . 1 . . . . . 21 PHE H . 50338 1 137 . 1 . 1 21 21 PHE HA H 1 4.71 0.03 . 1 . . . . . 21 PHE HA . 50338 1 138 . 1 . 1 21 21 PHE HB2 H 1 2.82 0.03 . 1 . . . . . 21 PHE HB2 . 50338 1 139 . 1 . 1 21 21 PHE C C 13 172.8 0.3 . 1 . . . . . 21 PHE C . 50338 1 140 . 1 . 1 21 21 PHE CA C 13 52.8 0.3 . 1 . . . . . 21 PHE CA . 50338 1 141 . 1 . 1 21 21 PHE CB C 13 40.3 0.3 . 1 . . . . . 21 PHE CB . 50338 1 142 . 1 . 1 21 21 PHE N N 15 115.9 0.3 . 1 . . . . . 21 PHE N . 50338 1 143 . 1 . 1 22 22 ASP H H 1 8.54 0.03 . 1 . . . . . 22 ASP H . 50338 1 144 . 1 . 1 22 22 ASP HA H 1 4.73 0.03 . 1 . . . . . 22 ASP HA . 50338 1 145 . 1 . 1 22 22 ASP HB2 H 1 2.71 0.03 . 2 . . . . . 22 ASP HB2 . 50338 1 146 . 1 . 1 22 22 ASP HB3 H 1 2.65 0.03 . 2 . . . . . 22 ASP HB3 . 50338 1 147 . 1 . 1 22 22 ASP C C 13 177.9 0.3 . 1 . . . . . 22 ASP C . 50338 1 148 . 1 . 1 22 22 ASP CA C 13 53.7 0.3 . 1 . . . . . 22 ASP CA . 50338 1 149 . 1 . 1 22 22 ASP CB C 13 41.9 0.3 . 1 . . . . . 22 ASP CB . 50338 1 150 . 1 . 1 22 22 ASP N N 15 120.3 0.3 . 1 . . . . . 22 ASP N . 50338 1 151 . 1 . 1 23 23 CYS H H 1 9.22 0.03 . 1 . . . . . 23 CYS H . 50338 1 152 . 1 . 1 23 23 CYS HA H 1 4.78 0.03 . 1 . . . . . 23 CYS HA . 50338 1 153 . 1 . 1 23 23 CYS HB2 H 1 3.15 0.03 . 1 . . . . . 23 CYS HB2 . 50338 1 154 . 1 . 1 23 23 CYS C C 13 175.0 0.3 . 1 . . . . . 23 CYS C . 50338 1 155 . 1 . 1 23 23 CYS CA C 13 55.6 0.3 . 1 . . . . . 23 CYS CA . 50338 1 156 . 1 . 1 23 23 CYS CB C 13 42.9 0.3 . 1 . . . . . 23 CYS CB . 50338 1 157 . 1 . 1 23 23 CYS N N 15 123.7 0.3 . 1 . . . . . 23 CYS N . 50338 1 158 . 1 . 1 24 24 GLY H H 1 8.67 0.03 . 1 . . . . . 24 GLY H . 50338 1 159 . 1 . 1 24 24 GLY HA2 H 1 4.02 0.03 . 2 . . . . . 24 GLY HA2 . 50338 1 160 . 1 . 1 24 24 GLY HA3 H 1 3.40 0.03 . 2 . . . . . 24 GLY HA3 . 50338 1 161 . 1 . 1 24 24 GLY C C 13 175.9 0.3 . 1 . . . . . 24 GLY C . 50338 1 162 . 1 . 1 24 24 GLY CA C 13 45.5 0.3 . 1 . . . . . 24 GLY CA . 50338 1 163 . 1 . 1 24 24 GLY N N 15 108.9 0.3 . 1 . . . . . 24 GLY N . 50338 1 164 . 1 . 1 25 25 GLN H H 1 8.96 0.03 . 1 . . . . . 25 GLN H . 50338 1 165 . 1 . 1 25 25 GLN HA H 1 4.08 0.03 . 1 . . . . . 25 GLN HA . 50338 1 166 . 1 . 1 25 25 GLN HB2 H 1 2.38 0.03 . 1 . . . . . 25 GLN HB2 . 50338 1 167 . 1 . 1 25 25 GLN HG2 H 1 2.00 0.03 . 1 . . . . . 25 GLN HG2 . 50338 1 168 . 1 . 1 25 25 GLN C C 13 178.1 0.3 . 1 . . . . . 25 GLN C . 50338 1 169 . 1 . 1 25 25 GLN CA C 13 59.2 0.3 . 1 . . . . . 25 GLN CA . 50338 1 170 . 1 . 1 25 25 GLN CB C 13 28.8 0.3 . 1 . . . . . 25 GLN CB . 50338 1 171 . 1 . 1 25 25 GLN N N 15 126.1 0.3 . 1 . . . . . 25 GLN N . 50338 1 172 . 1 . 1 26 26 ILE C C 13 175.1 0.3 . 1 . . . . . 26 ILE C . 50338 1 173 . 1 . 1 26 26 ILE CA C 13 60.0 0.3 . 1 . . . . . 26 ILE CA . 50338 1 174 . 1 . 1 26 26 ILE CB C 13 36.6 0.3 . 1 . . . . . 26 ILE CB . 50338 1 175 . 1 . 1 27 27 SER H H 1 7.38 0.03 . 1 . . . . . 27 SER H . 50338 1 176 . 1 . 1 27 27 SER HA H 1 3.59 0.03 . 1 . . . . . 27 SER HA . 50338 1 177 . 1 . 1 27 27 SER HB2 H 1 3.48 0.03 . 1 . . . . . 27 SER HB2 . 50338 1 178 . 1 . 1 27 27 SER C C 13 173.9 0.3 . 1 . . . . . 27 SER C . 50338 1 179 . 1 . 1 27 27 SER CA C 13 60.9 0.3 . 1 . . . . . 27 SER CA . 50338 1 180 . 1 . 1 27 27 SER CB C 13 62.6 0.3 . 1 . . . . . 27 SER CB . 50338 1 181 . 1 . 1 27 27 SER N N 15 115.4 0.3 . 1 . . . . . 27 SER N . 50338 1 182 . 1 . 1 28 28 TYR H H 1 7.57 0.03 . 1 . . . . . 28 TYR H . 50338 1 183 . 1 . 1 28 28 TYR HA H 1 4.41 0.03 . 1 . . . . . 28 TYR HA . 50338 1 184 . 1 . 1 28 28 TYR HB2 H 1 2.88 0.03 . 1 . . . . . 28 TYR HB2 . 50338 1 185 . 1 . 1 28 28 TYR C C 13 176.3 0.3 . 1 . . . . . 28 TYR C . 50338 1 186 . 1 . 1 28 28 TYR CA C 13 57.8 0.3 . 1 . . . . . 28 TYR CA . 50338 1 187 . 1 . 1 28 28 TYR CB C 13 38.8 0.3 . 1 . . . . . 28 TYR CB . 50338 1 188 . 1 . 1 28 28 TYR N N 15 115.5 0.3 . 1 . . . . . 28 TYR N . 50338 1 189 . 1 . 1 29 29 GLU H H 1 7.45 0.03 . 1 . . . . . 29 GLU H . 50338 1 190 . 1 . 1 29 29 GLU C C 13 171.8 0.3 . 1 . . . . . 29 GLU C . 50338 1 191 . 1 . 1 29 29 GLU CA C 13 53.6 0.3 . 1 . . . . . 29 GLU CA . 50338 1 192 . 1 . 1 29 29 GLU CB C 13 29.3 0.3 . 1 . . . . . 29 GLU CB . 50338 1 193 . 1 . 1 29 29 GLU N N 15 115.7 0.3 . 1 . . . . . 29 GLU N . 50338 1 194 . 1 . 1 32 32 SER C C 13 175.1 0.3 . 1 . . . . . 32 SER C . 50338 1 195 . 1 . 1 32 32 SER CA C 13 53.7 0.3 . 1 . . . . . 32 SER CA . 50338 1 196 . 1 . 1 32 32 SER CB C 13 63.2 0.3 . 1 . . . . . 32 SER CB . 50338 1 197 . 1 . 1 33 33 VAL H H 1 8.30 0.03 . 1 . . . . . 33 VAL H . 50338 1 198 . 1 . 1 33 33 VAL HA H 1 4.67 0.03 . 1 . . . . . 33 VAL HA . 50338 1 199 . 1 . 1 33 33 VAL HB H 1 2.10 0.03 . 1 . . . . . 33 VAL HB . 50338 1 200 . 1 . 1 33 33 VAL C C 13 172.0 0.3 . 1 . . . . . 33 VAL C . 50338 1 201 . 1 . 1 33 33 VAL CA C 13 63.9 0.3 . 1 . . . . . 33 VAL CA . 50338 1 202 . 1 . 1 33 33 VAL CB C 13 27.9 0.3 . 1 . . . . . 33 VAL CB . 50338 1 203 . 1 . 1 33 33 VAL N N 15 124.3 0.3 . 1 . . . . . 33 VAL N . 50338 1 204 . 1 . 1 34 34 GLU H H 1 7.84 0.03 . 1 . . . . . 34 GLU H . 50338 1 205 . 1 . 1 34 34 GLU C C 13 176.1 0.3 . 1 . . . . . 34 GLU C . 50338 1 206 . 1 . 1 34 34 GLU CA C 13 53.1 0.3 . 1 . . . . . 34 GLU CA . 50338 1 207 . 1 . 1 34 34 GLU CB C 13 32.6 0.3 . 1 . . . . . 34 GLU CB . 50338 1 208 . 1 . 1 34 34 GLU N N 15 128.2 0.3 . 1 . . . . . 34 GLU N . 50338 1 209 . 1 . 1 35 35 ALA H H 1 9.36 0.03 . 1 . . . . . 35 ALA H . 50338 1 210 . 1 . 1 35 35 ALA HA H 1 5.04 0.03 . 1 . . . . . 35 ALA HA . 50338 1 211 . 1 . 1 35 35 ALA C C 13 172.8 0.3 . 1 . . . . . 35 ALA C . 50338 1 212 . 1 . 1 35 35 ALA CA C 13 51.0 0.3 . 1 . . . . . 35 ALA CA . 50338 1 213 . 1 . 1 35 35 ALA CB C 13 20.4 0.3 . 1 . . . . . 35 ALA CB . 50338 1 214 . 1 . 1 35 35 ALA N N 15 130.1 0.3 . 1 . . . . . 35 ALA N . 50338 1 215 . 1 . 1 36 36 PRO C C 13 178.0 0.3 . 1 . . . . . 36 PRO C . 50338 1 216 . 1 . 1 36 36 PRO CA C 13 63.5 0.3 . 1 . . . . . 36 PRO CA . 50338 1 217 . 1 . 1 36 36 PRO CB C 13 31.6 0.3 . 1 . . . . . 36 PRO CB . 50338 1 218 . 1 . 1 37 37 LYS H H 1 8.49 0.03 . 1 . . . . . 37 LYS H . 50338 1 219 . 1 . 1 37 37 LYS C C 13 174.1 0.3 . 1 . . . . . 37 LYS C . 50338 1 220 . 1 . 1 37 37 LYS CA C 13 58.6 0.3 . 1 . . . . . 37 LYS CA . 50338 1 221 . 1 . 1 37 37 LYS CB C 13 34.5 0.3 . 1 . . . . . 37 LYS CB . 50338 1 222 . 1 . 1 37 37 LYS N N 15 123.3 0.3 . 1 . . . . . 37 LYS N . 50338 1 223 . 1 . 1 38 38 GLY H H 1 8.71 0.03 . 1 . . . . . 38 GLY H . 50338 1 224 . 1 . 1 38 38 GLY HA2 H 1 4.02 0.03 . 2 . . . . . 38 GLY HA2 . 50338 1 225 . 1 . 1 38 38 GLY HA3 H 1 3.96 0.03 . 2 . . . . . 38 GLY HA3 . 50338 1 226 . 1 . 1 38 38 GLY C C 13 174.6 0.3 . 1 . . . . . 38 GLY C . 50338 1 227 . 1 . 1 38 38 GLY CA C 13 45.8 0.3 . 1 . . . . . 38 GLY CA . 50338 1 228 . 1 . 1 38 38 GLY N N 15 106.8 0.3 . 1 . . . . . 38 GLY N . 50338 1 229 . 1 . 1 39 39 ALA H H 1 8.34 0.03 . 1 . . . . . 39 ALA H . 50338 1 230 . 1 . 1 39 39 ALA HA H 1 4.60 0.03 . 1 . . . . . 39 ALA HA . 50338 1 231 . 1 . 1 39 39 ALA HB1 H 1 1.25 0.03 . 1 . . . . . 39 ALA HB . 50338 1 232 . 1 . 1 39 39 ALA HB2 H 1 1.25 0.03 . 1 . . . . . 39 ALA HB . 50338 1 233 . 1 . 1 39 39 ALA HB3 H 1 1.25 0.03 . 1 . . . . . 39 ALA HB . 50338 1 234 . 1 . 1 39 39 ALA C C 13 178.5 0.3 . 1 . . . . . 39 ALA C . 50338 1 235 . 1 . 1 39 39 ALA CA C 13 51.6 0.3 . 1 . . . . . 39 ALA CA . 50338 1 236 . 1 . 1 39 39 ALA CB C 13 19.9 0.3 . 1 . . . . . 39 ALA CB . 50338 1 237 . 1 . 1 39 39 ALA N N 15 123.8 0.3 . 1 . . . . . 39 ALA N . 50338 1 238 . 1 . 1 40 40 THR H H 1 8.66 0.03 . 1 . . . . . 40 THR H . 50338 1 239 . 1 . 1 40 40 THR HA H 1 4.65 0.03 . 1 . . . . . 40 THR HA . 50338 1 240 . 1 . 1 40 40 THR HB H 1 4.61 0.03 . 1 . . . . . 40 THR HB . 50338 1 241 . 1 . 1 40 40 THR HG21 H 1 1.28 0.03 . 1 . . . . . 40 THR HG1 . 50338 1 242 . 1 . 1 40 40 THR HG22 H 1 1.28 0.03 . 1 . . . . . 40 THR HG1 . 50338 1 243 . 1 . 1 40 40 THR HG23 H 1 1.28 0.03 . 1 . . . . . 40 THR HG1 . 50338 1 244 . 1 . 1 40 40 THR C C 13 174.1 0.3 . 1 . . . . . 40 THR C . 50338 1 245 . 1 . 1 40 40 THR CA C 13 60.3 0.3 . 1 . . . . . 40 THR CA . 50338 1 246 . 1 . 1 40 40 THR CB C 13 67.9 0.3 . 1 . . . . . 40 THR CB . 50338 1 247 . 1 . 1 40 40 THR N N 15 108.4 0.3 . 1 . . . . . 40 THR N . 50338 1 248 . 1 . 1 41 41 THR H H 1 6.69 0.03 . 1 . . . . . 41 THR H . 50338 1 249 . 1 . 1 41 41 THR HA H 1 4.54 0.03 . 1 . . . . . 41 THR HA . 50338 1 250 . 1 . 1 41 41 THR HB H 1 4.08 0.03 . 1 . . . . . 41 THR HB . 50338 1 251 . 1 . 1 41 41 THR HG21 H 1 1.20 0.03 . 1 . . . . . 41 THR HG2 . 50338 1 252 . 1 . 1 41 41 THR HG22 H 1 1.20 0.03 . 1 . . . . . 41 THR HG2 . 50338 1 253 . 1 . 1 41 41 THR HG23 H 1 1.20 0.03 . 1 . . . . . 41 THR HG2 . 50338 1 254 . 1 . 1 41 41 THR C C 13 179.0 0.3 . 1 . . . . . 41 THR C . 50338 1 255 . 1 . 1 41 41 THR CA C 13 58.9 0.3 . 1 . . . . . 41 THR CA . 50338 1 256 . 1 . 1 41 41 THR CB C 13 69.8 0.3 . 1 . . . . . 41 THR CB . 50338 1 257 . 1 . 1 41 41 THR N N 15 109.8 0.3 . 1 . . . . . 41 THR N . 50338 1 258 . 1 . 1 42 42 CYS H H 1 8.42 0.03 . 1 . . . . . 42 CYS H . 50338 1 259 . 1 . 1 42 42 CYS HA H 1 4.44 0.03 . 1 . . . . . 42 CYS HA . 50338 1 260 . 1 . 1 42 42 CYS HB2 H 1 2.66 0.03 . 1 . . . . . 42 CYS HB2 . 50338 1 261 . 1 . 1 42 42 CYS C C 13 175.3 0.3 . 1 . . . . . 42 CYS C . 50338 1 262 . 1 . 1 42 42 CYS CA C 13 56.4 0.3 . 1 . . . . . 42 CYS CA . 50338 1 263 . 1 . 1 42 42 CYS CB C 13 37.3 0.3 . 1 . . . . . 42 CYS CB . 50338 1 264 . 1 . 1 42 42 CYS N N 15 118.4 0.3 . 1 . . . . . 42 CYS N . 50338 1 265 . 1 . 1 43 43 SER H H 1 8.84 0.03 . 1 . . . . . 43 SER H . 50338 1 266 . 1 . 1 43 43 SER HA H 1 4.31 0.03 . 1 . . . . . 43 SER HA . 50338 1 267 . 1 . 1 43 43 SER HB2 H 1 3.73 0.03 . 1 . . . . . 43 SER HB2 . 50338 1 268 . 1 . 1 43 43 SER C C 13 175.8 0.3 . 1 . . . . . 43 SER C . 50338 1 269 . 1 . 1 43 43 SER CA C 13 58.2 0.3 . 1 . . . . . 43 SER CA . 50338 1 270 . 1 . 1 43 43 SER CB C 13 65.9 0.3 . 1 . . . . . 43 SER CB . 50338 1 271 . 1 . 1 43 43 SER N N 15 110.8 0.3 . 1 . . . . . 43 SER N . 50338 1 272 . 1 . 1 44 44 GLY H H 1 7.13 0.03 . 1 . . . . . 44 GLY H . 50338 1 273 . 1 . 1 44 44 GLY HA2 H 1 4.09 0.03 . 2 . . . . . 44 GLY HA2 . 50338 1 274 . 1 . 1 44 44 GLY HA3 H 1 3.71 0.03 . 2 . . . . . 44 GLY HA3 . 50338 1 275 . 1 . 1 44 44 GLY C C 13 172.1 0.3 . 1 . . . . . 44 GLY C . 50338 1 276 . 1 . 1 44 44 GLY CA C 13 44.3 0.3 . 1 . . . . . 44 GLY CA . 50338 1 277 . 1 . 1 44 44 GLY N N 15 111.9 0.3 . 1 . . . . . 44 GLY N . 50338 1 278 . 1 . 1 45 45 GLY H H 1 7.83 0.03 . 1 . . . . . 45 GLY H . 50338 1 279 . 1 . 1 45 45 GLY HA2 H 1 3.92 0.03 . 2 . . . . . 45 GLY HA2 . 50338 1 280 . 1 . 1 45 45 GLY HA3 H 1 3.88 0.03 . 2 . . . . . 45 GLY HA3 . 50338 1 281 . 1 . 1 45 45 GLY C C 13 175.4 0.3 . 1 . . . . . 45 GLY C . 50338 1 282 . 1 . 1 45 45 GLY CA C 13 44.4 0.3 . 1 . . . . . 45 GLY CA . 50338 1 283 . 1 . 1 45 45 GLY N N 15 105.6 0.3 . 1 . . . . . 45 GLY N . 50338 1 284 . 1 . 1 46 46 ASN H H 1 7.44 0.03 . 1 . . . . . 46 ASN H . 50338 1 285 . 1 . 1 46 46 ASN HA H 1 4.48 0.03 . 1 . . . . . 46 ASN HA . 50338 1 286 . 1 . 1 46 46 ASN HB2 H 1 3.22 0.03 . 2 . . . . . 46 ASN HB2 . 50338 1 287 . 1 . 1 46 46 ASN HB3 H 1 2.69 0.03 . 2 . . . . . 46 ASN HB3 . 50338 1 288 . 1 . 1 46 46 ASN C C 13 177.6 0.3 . 1 . . . . . 46 ASN C . 50338 1 289 . 1 . 1 46 46 ASN CA C 13 53.5 0.3 . 1 . . . . . 46 ASN CA . 50338 1 290 . 1 . 1 46 46 ASN CB C 13 38.2 0.3 . 1 . . . . . 46 ASN CB . 50338 1 291 . 1 . 1 46 46 ASN N N 15 119.6 0.3 . 1 . . . . . 46 ASN N . 50338 1 292 . 1 . 1 47 47 GLU H H 1 8.89 0.03 . 1 . . . . . 47 GLU H . 50338 1 293 . 1 . 1 47 47 GLU HA H 1 3.83 0.03 . 1 . . . . . 47 GLU HA . 50338 1 294 . 1 . 1 47 47 GLU HB2 H 1 1.98 0.03 . 1 . . . . . 47 GLU HB2 . 50338 1 295 . 1 . 1 47 47 GLU HG2 H 1 2.30 0.03 . 1 . . . . . 47 GLU HG2 . 50338 1 296 . 1 . 1 47 47 GLU C C 13 177.8 0.3 . 1 . . . . . 47 GLU C . 50338 1 297 . 1 . 1 47 47 GLU CA C 13 59.2 0.3 . 1 . . . . . 47 GLU CA . 50338 1 298 . 1 . 1 47 47 GLU CB C 13 29.6 0.3 . 1 . . . . . 47 GLU CB . 50338 1 299 . 1 . 1 47 47 GLU N N 15 129.5 0.3 . 1 . . . . . 47 GLU N . 50338 1 300 . 1 . 1 48 48 ALA H H 1 7.78 0.03 . 1 . . . . . 48 ALA H . 50338 1 301 . 1 . 1 48 48 ALA HA H 1 4.03 0.03 . 1 . . . . . 48 ALA HA . 50338 1 302 . 1 . 1 48 48 ALA HB1 H 1 1.92 0.03 . 1 . . . . . 48 ALA HB . 50338 1 303 . 1 . 1 48 48 ALA HB2 H 1 1.92 0.03 . 1 . . . . . 48 ALA HB . 50338 1 304 . 1 . 1 48 48 ALA HB3 H 1 1.92 0.03 . 1 . . . . . 48 ALA HB . 50338 1 305 . 1 . 1 48 48 ALA C C 13 179.0 0.3 . 1 . . . . . 48 ALA C . 50338 1 306 . 1 . 1 48 48 ALA CA C 13 54.0 0.3 . 1 . . . . . 48 ALA CA . 50338 1 307 . 1 . 1 48 48 ALA CB C 13 17.4 0.3 . 1 . . . . . 48 ALA CB . 50338 1 308 . 1 . 1 48 48 ALA N N 15 120.9 0.3 . 1 . . . . . 48 ALA N . 50338 1 309 . 1 . 1 49 49 PHE H H 1 7.45 0.03 . 1 . . . . . 49 PHE H . 50338 1 310 . 1 . 1 49 49 PHE C C 13 175.6 0.3 . 1 . . . . . 49 PHE C . 50338 1 311 . 1 . 1 49 49 PHE CA C 13 53.8 0.3 . 1 . . . . . 49 PHE CA . 50338 1 312 . 1 . 1 49 49 PHE CB C 13 39.8 0.3 . 1 . . . . . 49 PHE CB . 50338 1 313 . 1 . 1 49 49 PHE N N 15 115.3 0.3 . 1 . . . . . 49 PHE N . 50338 1 314 . 1 . 1 50 50 ALA H H 1 7.01 0.03 . 1 . . . . . 50 ALA H . 50338 1 315 . 1 . 1 50 50 ALA HA H 1 4.05 0.03 . 1 . . . . . 50 ALA HA . 50338 1 316 . 1 . 1 50 50 ALA HB1 H 1 1.46 0.03 . 1 . . . . . 50 ALA HB . 50338 1 317 . 1 . 1 50 50 ALA HB2 H 1 1.46 0.03 . 1 . . . . . 50 ALA HB . 50338 1 318 . 1 . 1 50 50 ALA HB3 H 1 1.46 0.03 . 1 . . . . . 50 ALA HB . 50338 1 319 . 1 . 1 50 50 ALA C C 13 180.2 0.3 . 1 . . . . . 50 ALA C . 50338 1 320 . 1 . 1 50 50 ALA CA C 13 55.5 0.3 . 1 . . . . . 50 ALA CA . 50338 1 321 . 1 . 1 50 50 ALA CB C 13 18.8 0.3 . 1 . . . . . 50 ALA CB . 50338 1 322 . 1 . 1 50 50 ALA N N 15 122.6 0.3 . 1 . . . . . 50 ALA N . 50338 1 323 . 1 . 1 51 51 ILE H H 1 8.76 0.03 . 1 . . . . . 51 ILE H . 50338 1 324 . 1 . 1 51 51 ILE HA H 1 4.27 0.03 . 1 . . . . . 51 ILE HA . 50338 1 325 . 1 . 1 51 51 ILE HB H 1 2.08 0.03 . 1 . . . . . 51 ILE HB . 50338 1 326 . 1 . 1 51 51 ILE HG12 H 1 1.74 0.03 . 2 . . . . . 51 ILE HG12 . 50338 1 327 . 1 . 1 51 51 ILE HG13 H 1 1.65 0.03 . 2 . . . . . 51 ILE HG13 . 50338 1 328 . 1 . 1 51 51 ILE HG21 H 1 1.07 0.03 . 1 . . . . . 51 ILE HG2 . 50338 1 329 . 1 . 1 51 51 ILE HG22 H 1 1.07 0.03 . 1 . . . . . 51 ILE HG2 . 50338 1 330 . 1 . 1 51 51 ILE HG23 H 1 1.07 0.03 . 1 . . . . . 51 ILE HG2 . 50338 1 331 . 1 . 1 51 51 ILE HD11 H 1 0.69 0.03 . 1 . . . . . 51 ILE HD1 . 50338 1 332 . 1 . 1 51 51 ILE HD12 H 1 0.69 0.03 . 1 . . . . . 51 ILE HD1 . 50338 1 333 . 1 . 1 51 51 ILE HD13 H 1 0.69 0.03 . 1 . . . . . 51 ILE HD1 . 50338 1 334 . 1 . 1 51 51 ILE C C 13 176.4 0.3 . 1 . . . . . 51 ILE C . 50338 1 335 . 1 . 1 51 51 ILE CA C 13 62.9 0.3 . 1 . . . . . 51 ILE CA . 50338 1 336 . 1 . 1 51 51 ILE CB C 13 37.4 0.3 . 1 . . . . . 51 ILE CB . 50338 1 337 . 1 . 1 51 51 ILE N N 15 120.6 0.3 . 1 . . . . . 51 ILE N . 50338 1 338 . 1 . 1 52 52 LEU H H 1 7.90 0.03 . 1 . . . . . 52 LEU H . 50338 1 339 . 1 . 1 52 52 LEU HA H 1 4.05 0.03 . 1 . . . . . 52 LEU HA . 50338 1 340 . 1 . 1 52 52 LEU HB2 H 1 1.16 0.03 . 1 . . . . . 52 LEU HB2 . 50338 1 341 . 1 . 1 52 52 LEU HG H 1 1.74 0.03 . 1 . . . . . 52 LEU HG . 50338 1 342 . 1 . 1 52 52 LEU C C 13 176.4 0.3 . 1 . . . . . 52 LEU C . 50338 1 343 . 1 . 1 52 52 LEU CA C 13 56.5 0.3 . 1 . . . . . 52 LEU CA . 50338 1 344 . 1 . 1 52 52 LEU CB C 13 41.1 0.3 . 1 . . . . . 52 LEU CB . 50338 1 345 . 1 . 1 52 52 LEU N N 15 117.4 0.3 . 1 . . . . . 52 LEU N . 50338 1 346 . 1 . 1 53 53 ASP H H 1 7.70 0.03 . 1 . . . . . 53 ASP H . 50338 1 347 . 1 . 1 53 53 ASP HA H 1 4.65 0.03 . 1 . . . . . 53 ASP HA . 50338 1 348 . 1 . 1 53 53 ASP HB2 H 1 2.94 0.03 . 2 . . . . . 53 ASP HB2 . 50338 1 349 . 1 . 1 53 53 ASP HB3 H 1 2.53 0.03 . 2 . . . . . 53 ASP HB3 . 50338 1 350 . 1 . 1 53 53 ASP C C 13 176.5 0.3 . 1 . . . . . 53 ASP C . 50338 1 351 . 1 . 1 53 53 ASP CA C 13 54.0 0.3 . 1 . . . . . 53 ASP CA . 50338 1 352 . 1 . 1 53 53 ASP CB C 13 42.1 0.3 . 1 . . . . . 53 ASP CB . 50338 1 353 . 1 . 1 53 53 ASP N N 15 113.5 0.3 . 1 . . . . . 53 ASP N . 50338 1 354 . 1 . 1 54 54 ASP H H 1 7.93 0.03 . 1 . . . . . 54 ASP H . 50338 1 355 . 1 . 1 54 54 ASP HA H 1 4.70 0.03 . 1 . . . . . 54 ASP HA . 50338 1 356 . 1 . 1 54 54 ASP HB2 H 1 2.56 0.03 . 1 . . . . . 54 ASP HB2 . 50338 1 357 . 1 . 1 54 54 ASP C C 13 177.3 0.3 . 1 . . . . . 54 ASP C . 50338 1 358 . 1 . 1 54 54 ASP CA C 13 53.8 0.3 . 1 . . . . . 54 ASP CA . 50338 1 359 . 1 . 1 54 54 ASP CB C 13 40.2 0.3 . 1 . . . . . 54 ASP CB . 50338 1 360 . 1 . 1 54 54 ASP N N 15 119.1 0.3 . 1 . . . . . 54 ASP N . 50338 1 361 . 1 . 1 55 55 ASN H H 1 8.54 0.03 . 1 . . . . . 55 ASN H . 50338 1 362 . 1 . 1 55 55 ASN HA H 1 4.88 0.03 . 1 . . . . . 55 ASN HA . 50338 1 363 . 1 . 1 55 55 ASN HB2 H 1 3.04 0.03 . 2 . . . . . 55 ASN HB2 . 50338 1 364 . 1 . 1 55 55 ASN HB3 H 1 2.81 0.03 . 2 . . . . . 55 ASN HB3 . 50338 1 365 . 1 . 1 55 55 ASN C C 13 175.7 0.3 . 1 . . . . . 55 ASN C . 50338 1 366 . 1 . 1 55 55 ASN CA C 13 54.4 0.3 . 1 . . . . . 55 ASN CA . 50338 1 367 . 1 . 1 55 55 ASN CB C 13 38.2 0.3 . 1 . . . . . 55 ASN CB . 50338 1 368 . 1 . 1 55 55 ASN N N 15 125.9 0.3 . 1 . . . . . 55 ASN N . 50338 1 369 . 1 . 1 56 56 SER H H 1 8.74 0.03 . 1 . . . . . 56 SER H . 50338 1 370 . 1 . 1 56 56 SER HA H 1 4.38 0.03 . 1 . . . . . 56 SER HA . 50338 1 371 . 1 . 1 56 56 SER HB2 H 1 3.74 0.03 . 1 . . . . . 56 SER HB2 . 50338 1 372 . 1 . 1 56 56 SER C C 13 175.6 0.3 . 1 . . . . . 56 SER C . 50338 1 373 . 1 . 1 56 56 SER CA C 13 59.8 0.3 . 1 . . . . . 56 SER CA . 50338 1 374 . 1 . 1 56 56 SER CB C 13 63.8 0.3 . 1 . . . . . 56 SER CB . 50338 1 375 . 1 . 1 56 56 SER N N 15 115.6 0.3 . 1 . . . . . 56 SER N . 50338 1 376 . 1 . 1 57 57 LYS H H 1 6.73 0.03 . 1 . . . . . 57 LYS H . 50338 1 377 . 1 . 1 57 57 LYS HA H 1 4.82 0.03 . 1 . . . . . 57 LYS HA . 50338 1 378 . 1 . 1 57 57 LYS HB2 H 1 2.18 0.03 . 2 . . . . . 57 LYS HB2 . 50338 1 379 . 1 . 1 57 57 LYS HB3 H 1 2.14 0.03 . 2 . . . . . 57 LYS HB3 . 50338 1 380 . 1 . 1 57 57 LYS HE2 H 1 2.41 0.03 . 2 . . . . . 57 LYS HE2 . 50338 1 381 . 1 . 1 57 57 LYS HE3 H 1 2.34 0.03 . 2 . . . . . 57 LYS HE3 . 50338 1 382 . 1 . 1 57 57 LYS C C 13 175.5 0.3 . 1 . . . . . 57 LYS C . 50338 1 383 . 1 . 1 57 57 LYS CA C 13 52.2 0.3 . 1 . . . . . 57 LYS CA . 50338 1 384 . 1 . 1 57 57 LYS CB C 13 30.5 0.3 . 1 . . . . . 57 LYS CB . 50338 1 385 . 1 . 1 57 57 LYS N N 15 122.6 0.3 . 1 . . . . . 57 LYS N . 50338 1 386 . 1 . 1 58 58 PRO C C 13 174.2 0.3 . 1 . . . . . 58 PRO C . 50338 1 387 . 1 . 1 58 58 PRO CA C 13 61.5 0.3 . 1 . . . . . 58 PRO CA . 50338 1 388 . 1 . 1 58 58 PRO CB C 13 30.3 0.3 . 1 . . . . . 58 PRO CB . 50338 1 389 . 1 . 1 59 59 TRP H H 1 7.34 0.03 . 1 . . . . . 59 TRP H . 50338 1 390 . 1 . 1 59 59 TRP HA H 1 4.45 0.03 . 1 . . . . . 59 TRP HA . 50338 1 391 . 1 . 1 59 59 TRP HB2 H 1 2.29 0.03 . 1 . . . . . 59 TRP HB2 . 50338 1 392 . 1 . 1 59 59 TRP C C 13 175.3 0.3 . 1 . . . . . 59 TRP C . 50338 1 393 . 1 . 1 59 59 TRP CA C 13 55.6 0.3 . 1 . . . . . 59 TRP CA . 50338 1 394 . 1 . 1 59 59 TRP CB C 13 31.1 0.3 . 1 . . . . . 59 TRP CB . 50338 1 395 . 1 . 1 59 59 TRP N N 15 120.4 0.3 . 1 . . . . . 59 TRP N . 50338 1 396 . 1 . 1 60 60 PRO C C 13 175.6 0.3 . 1 . . . . . 60 PRO C . 50338 1 397 . 1 . 1 60 60 PRO CA C 13 62.8 0.3 . 1 . . . . . 60 PRO CA . 50338 1 398 . 1 . 1 60 60 PRO CB C 13 32.5 0.3 . 1 . . . . . 60 PRO CB . 50338 1 399 . 1 . 1 61 61 THR H H 1 8.00 0.03 . 1 . . . . . 61 THR H . 50338 1 400 . 1 . 1 61 61 THR HA H 1 4.71 0.03 . 1 . . . . . 61 THR HA . 50338 1 401 . 1 . 1 61 61 THR HB H 1 3.75 0.03 . 1 . . . . . 61 THR HB . 50338 1 402 . 1 . 1 61 61 THR C C 13 175.3 0.3 . 1 . . . . . 61 THR C . 50338 1 403 . 1 . 1 61 61 THR CA C 13 59.4 0.3 . 1 . . . . . 61 THR CA . 50338 1 404 . 1 . 1 61 61 THR CB C 13 72.2 0.3 . 1 . . . . . 61 THR CB . 50338 1 405 . 1 . 1 61 61 THR N N 15 109.0 0.3 . 1 . . . . . 61 THR N . 50338 1 406 . 1 . 1 62 62 THR H H 1 7.87 0.03 . 1 . . . . . 62 THR H . 50338 1 407 . 1 . 1 62 62 THR HA H 1 4.76 0.03 . 1 . . . . . 62 THR HA . 50338 1 408 . 1 . 1 62 62 THR HB H 1 3.78 0.03 . 1 . . . . . 62 THR HB . 50338 1 409 . 1 . 1 62 62 THR HG21 H 1 1.19 0.03 . 1 . . . . . 62 THR HG2 . 50338 1 410 . 1 . 1 62 62 THR HG22 H 1 1.19 0.03 . 1 . . . . . 62 THR HG2 . 50338 1 411 . 1 . 1 62 62 THR HG23 H 1 1.19 0.03 . 1 . . . . . 62 THR HG2 . 50338 1 412 . 1 . 1 62 62 THR C C 13 174.3 0.3 . 1 . . . . . 62 THR C . 50338 1 413 . 1 . 1 62 62 THR CA C 13 62.6 0.3 . 1 . . . . . 62 THR CA . 50338 1 414 . 1 . 1 62 62 THR CB C 13 70.1 0.3 . 1 . . . . . 62 THR CB . 50338 1 415 . 1 . 1 62 62 THR CG2 C 13 21.1 0.3 . 1 . . . . . 62 THR CG2 . 50338 1 416 . 1 . 1 62 62 THR N N 15 118.2 0.3 . 1 . . . . . 62 THR N . 50338 1 417 . 1 . 1 63 63 GLU H H 1 8.71 0.03 . 1 . . . . . 63 GLU H . 50338 1 418 . 1 . 1 63 63 GLU HA H 1 4.87 0.03 . 1 . . . . . 63 GLU HA . 50338 1 419 . 1 . 1 63 63 GLU HB2 H 1 1.89 0.03 . 1 . . . . . 63 GLU HB2 . 50338 1 420 . 1 . 1 63 63 GLU HG2 H 1 2.35 0.03 . 1 . . . . . 63 GLU HG2 . 50338 1 421 . 1 . 1 63 63 GLU C C 13 176.0 0.3 . 1 . . . . . 63 GLU C . 50338 1 422 . 1 . 1 63 63 GLU CA C 13 56.5 0.3 . 1 . . . . . 63 GLU CA . 50338 1 423 . 1 . 1 63 63 GLU CB C 13 29.3 0.3 . 1 . . . . . 63 GLU CB . 50338 1 424 . 1 . 1 63 63 GLU N N 15 128.4 0.3 . 1 . . . . . 63 GLU N . 50338 1 425 . 1 . 1 64 64 ILE H H 1 8.87 0.03 . 1 . . . . . 64 ILE H . 50338 1 426 . 1 . 1 64 64 ILE HA H 1 4.34 0.03 . 1 . . . . . 64 ILE HA . 50338 1 427 . 1 . 1 64 64 ILE C C 13 174.1 0.3 . 1 . . . . . 64 ILE C . 50338 1 428 . 1 . 1 64 64 ILE CA C 13 59.9 0.3 . 1 . . . . . 64 ILE CA . 50338 1 429 . 1 . 1 64 64 ILE CB C 13 42.7 0.3 . 1 . . . . . 64 ILE CB . 50338 1 430 . 1 . 1 64 64 ILE N N 15 120.2 0.3 . 1 . . . . . 64 ILE N . 50338 1 431 . 1 . 1 65 65 ALA H H 1 7.96 0.03 . 1 . . . . . 65 ALA H . 50338 1 432 . 1 . 1 65 65 ALA HA H 1 5.01 0.03 . 1 . . . . . 65 ALA HA . 50338 1 433 . 1 . 1 65 65 ALA HB1 H 1 1.53 0.03 . 1 . . . . . 65 ALA HB . 50338 1 434 . 1 . 1 65 65 ALA HB2 H 1 1.53 0.03 . 1 . . . . . 65 ALA HB . 50338 1 435 . 1 . 1 65 65 ALA HB3 H 1 1.53 0.03 . 1 . . . . . 65 ALA HB . 50338 1 436 . 1 . 1 65 65 ALA C C 13 175.9 0.3 . 1 . . . . . 65 ALA C . 50338 1 437 . 1 . 1 65 65 ALA CA C 13 50.4 0.3 . 1 . . . . . 65 ALA CA . 50338 1 438 . 1 . 1 65 65 ALA CB C 13 20.4 0.3 . 1 . . . . . 65 ALA CB . 50338 1 439 . 1 . 1 65 65 ALA N N 15 122.7 0.3 . 1 . . . . . 65 ALA N . 50338 1 440 . 1 . 1 66 66 SER H H 1 8.01 0.03 . 1 . . . . . 66 SER H . 50338 1 441 . 1 . 1 66 66 SER HA H 1 4.32 0.03 . 1 . . . . . 66 SER HA . 50338 1 442 . 1 . 1 66 66 SER HB2 H 1 3.74 0.03 . 1 . . . . . 66 SER HB2 . 50338 1 443 . 1 . 1 66 66 SER C C 13 174.5 0.3 . 1 . . . . . 66 SER C . 50338 1 444 . 1 . 1 66 66 SER CA C 13 60.5 0.3 . 1 . . . . . 66 SER CA . 50338 1 445 . 1 . 1 66 66 SER CB C 13 63.8 0.3 . 1 . . . . . 66 SER CB . 50338 1 446 . 1 . 1 66 66 SER N N 15 108.8 0.3 . 1 . . . . . 66 SER N . 50338 1 447 . 1 . 1 67 67 THR H H 1 6.82 0.03 . 1 . . . . . 67 THR H . 50338 1 448 . 1 . 1 67 67 THR HA H 1 5.29 0.03 . 1 . . . . . 67 THR HA . 50338 1 449 . 1 . 1 67 67 THR HB H 1 3.85 0.03 . 1 . . . . . 67 THR HB . 50338 1 450 . 1 . 1 67 67 THR HG21 H 1 0.99 0.03 . 1 . . . . . 67 THR HG1 . 50338 1 451 . 1 . 1 67 67 THR HG22 H 1 0.99 0.03 . 1 . . . . . 67 THR HG1 . 50338 1 452 . 1 . 1 67 67 THR HG23 H 1 0.99 0.03 . 1 . . . . . 67 THR HG1 . 50338 1 453 . 1 . 1 67 67 THR C C 13 173.5 0.3 . 1 . . . . . 67 THR C . 50338 1 454 . 1 . 1 67 67 THR CA C 13 60.9 0.3 . 1 . . . . . 67 THR CA . 50338 1 455 . 1 . 1 67 67 THR CB C 13 71.1 0.3 . 1 . . . . . 67 THR CB . 50338 1 456 . 1 . 1 67 67 THR N N 15 113.5 0.3 . 1 . . . . . 67 THR N . 50338 1 457 . 1 . 1 68 68 VAL H H 1 9.00 0.03 . 1 . . . . . 68 VAL H . 50338 1 458 . 1 . 1 68 68 VAL HA H 1 4.43 0.03 . 1 . . . . . 68 VAL HA . 50338 1 459 . 1 . 1 68 68 VAL HB H 1 1.90 0.03 . 1 . . . . . 68 VAL HB . 50338 1 460 . 1 . 1 68 68 VAL HG11 H 1 0.83 0.03 . 1 . . . . . 68 VAL HG1 . 50338 1 461 . 1 . 1 68 68 VAL HG12 H 1 0.83 0.03 . 1 . . . . . 68 VAL HG1 . 50338 1 462 . 1 . 1 68 68 VAL HG13 H 1 0.83 0.03 . 1 . . . . . 68 VAL HG1 . 50338 1 463 . 1 . 1 68 68 VAL HG21 H 1 0.59 0.03 . 1 . . . . . 68 VAL HG2 . 50338 1 464 . 1 . 1 68 68 VAL HG22 H 1 0.59 0.03 . 1 . . . . . 68 VAL HG2 . 50338 1 465 . 1 . 1 68 68 VAL HG23 H 1 0.59 0.03 . 1 . . . . . 68 VAL HG2 . 50338 1 466 . 1 . 1 68 68 VAL C C 13 170.8 0.3 . 1 . . . . . 68 VAL C . 50338 1 467 . 1 . 1 68 68 VAL CA C 13 59.1 0.3 . 1 . . . . . 68 VAL CA . 50338 1 468 . 1 . 1 68 68 VAL CB C 13 34.9 0.3 . 1 . . . . . 68 VAL CB . 50338 1 469 . 1 . 1 68 68 VAL CG1 C 13 21.0 0.3 . 1 . . . . . 68 VAL CG1 . 50338 1 470 . 1 . 1 68 68 VAL CG2 C 13 21.0 0.3 . 1 . . . . . 68 VAL CG2 . 50338 1 471 . 1 . 1 68 68 VAL N N 15 125.9 0.3 . 1 . . . . . 68 VAL N . 50338 1 472 . 1 . 1 69 69 ASP H H 1 8.09 0.03 . 1 . . . . . 69 ASP H . 50338 1 473 . 1 . 1 69 69 ASP HA H 1 5.14 0.03 . 1 . . . . . 69 ASP HA . 50338 1 474 . 1 . 1 69 69 ASP HB2 H 1 2.48 0.03 . 2 . . . . . 69 ASP HB2 . 50338 1 475 . 1 . 1 69 69 ASP HB3 H 1 2.40 0.03 . 2 . . . . . 69 ASP HB3 . 50338 1 476 . 1 . 1 69 69 ASP C C 13 174.8 0.3 . 1 . . . . . 69 ASP C . 50338 1 477 . 1 . 1 69 69 ASP CA C 13 53.2 0.3 . 1 . . . . . 69 ASP CA . 50338 1 478 . 1 . 1 69 69 ASP CB C 13 40.6 0.3 . 1 . . . . . 69 ASP CB . 50338 1 479 . 1 . 1 69 69 ASP N N 15 127.6 0.3 . 1 . . . . . 69 ASP N . 50338 1 480 . 1 . 1 70 70 LEU H H 1 9.28 0.03 . 1 . . . . . 70 LEU H . 50338 1 481 . 1 . 1 70 70 LEU HA H 1 5.20 0.03 . 1 . . . . . 70 LEU HA . 50338 1 482 . 1 . 1 70 70 LEU HB2 H 1 1.46 0.03 . 1 . . . . . 70 LEU HB2 . 50338 1 483 . 1 . 1 70 70 LEU HD11 H 1 0.69 0.03 . 1 . . . . . 70 LEU HD1 . 50338 1 484 . 1 . 1 70 70 LEU HD12 H 1 0.69 0.03 . 1 . . . . . 70 LEU HD1 . 50338 1 485 . 1 . 1 70 70 LEU HD13 H 1 0.69 0.03 . 1 . . . . . 70 LEU HD1 . 50338 1 486 . 1 . 1 70 70 LEU C C 13 175.6 0.3 . 1 . . . . . 70 LEU C . 50338 1 487 . 1 . 1 70 70 LEU CA C 13 54.1 0.3 . 1 . . . . . 70 LEU CA . 50338 1 488 . 1 . 1 70 70 LEU CB C 13 44.0 0.3 . 1 . . . . . 70 LEU CB . 50338 1 489 . 1 . 1 70 70 LEU N N 15 130.3 0.3 . 1 . . . . . 70 LEU N . 50338 1 490 . 1 . 1 71 71 THR H H 1 9.14 0.03 . 1 . . . . . 71 THR H . 50338 1 491 . 1 . 1 71 71 THR HA H 1 5.16 0.03 . 1 . . . . . 71 THR HA . 50338 1 492 . 1 . 1 71 71 THR HB H 1 3.85 0.03 . 1 . . . . . 71 THR HB . 50338 1 493 . 1 . 1 71 71 THR HG21 H 1 1.00 0.03 . 1 . . . . . 71 THR HG2 . 50338 1 494 . 1 . 1 71 71 THR HG22 H 1 1.00 0.03 . 1 . . . . . 71 THR HG2 . 50338 1 495 . 1 . 1 71 71 THR HG23 H 1 1.00 0.03 . 1 . . . . . 71 THR HG2 . 50338 1 496 . 1 . 1 71 71 THR C C 13 173.1 0.3 . 1 . . . . . 71 THR C . 50338 1 497 . 1 . 1 71 71 THR CA C 13 62.1 0.3 . 1 . . . . . 71 THR CA . 50338 1 498 . 1 . 1 71 71 THR CB C 13 71.3 0.3 . 1 . . . . . 71 THR CB . 50338 1 499 . 1 . 1 71 71 THR CG2 C 13 21.5 0.3 . 1 . . . . . 71 THR CG2 . 50338 1 500 . 1 . 1 71 71 THR N N 15 120.9 0.3 . 1 . . . . . 71 THR N . 50338 1 501 . 1 . 1 72 72 TRP H H 1 8.85 0.03 . 1 . . . . . 72 TRP H . 50338 1 502 . 1 . 1 72 72 TRP HA H 1 4.42 0.03 . 1 . . . . . 72 TRP HA . 50338 1 503 . 1 . 1 72 72 TRP HB2 H 1 2.26 0.03 . 1 . . . . . 72 TRP HB2 . 50338 1 504 . 1 . 1 72 72 TRP C C 13 176.7 0.3 . 1 . . . . . 72 TRP C . 50338 1 505 . 1 . 1 72 72 TRP CA C 13 56.7 0.3 . 1 . . . . . 72 TRP CA . 50338 1 506 . 1 . 1 72 72 TRP CB C 13 31.6 0.3 . 1 . . . . . 72 TRP CB . 50338 1 507 . 1 . 1 72 72 TRP N N 15 125.2 0.3 . 1 . . . . . 72 TRP N . 50338 1 508 . 1 . 1 73 73 LYS H H 1 8.78 0.03 . 1 . . . . . 73 LYS H . 50338 1 509 . 1 . 1 73 73 LYS HA H 1 4.45 0.03 . 1 . . . . . 73 LYS HA . 50338 1 510 . 1 . 1 73 73 LYS HB2 H 1 1.88 0.03 . 2 . . . . . 73 LYS HB2 . 50338 1 511 . 1 . 1 73 73 LYS HB3 H 1 1.83 0.03 . 2 . . . . . 73 LYS HB3 . 50338 1 512 . 1 . 1 73 73 LYS C C 13 174.0 0.3 . 1 . . . . . 73 LYS C . 50338 1 513 . 1 . 1 73 73 LYS CA C 13 55.6 0.3 . 1 . . . . . 73 LYS CA . 50338 1 514 . 1 . 1 73 73 LYS CB C 13 34.4 0.3 . 1 . . . . . 73 LYS CB . 50338 1 515 . 1 . 1 73 73 LYS N N 15 123.3 0.3 . 1 . . . . . 73 LYS N . 50338 1 516 . 1 . 1 74 74 LEU H H 1 8.67 0.03 . 1 . . . . . 74 LEU H . 50338 1 517 . 1 . 1 74 74 LEU HA H 1 4.39 0.03 . 1 . . . . . 74 LEU HA . 50338 1 518 . 1 . 1 74 74 LEU C C 13 177.3 0.3 . 1 . . . . . 74 LEU C . 50338 1 519 . 1 . 1 74 74 LEU CA C 13 53.4 0.3 . 1 . . . . . 74 LEU CA . 50338 1 520 . 1 . 1 74 74 LEU CB C 13 41.1 0.3 . 1 . . . . . 74 LEU CB . 50338 1 521 . 1 . 1 74 74 LEU N N 15 124.4 0.3 . 1 . . . . . 74 LEU N . 50338 1 522 . 1 . 1 75 75 THR H H 1 8.55 0.03 . 1 . . . . . 75 THR H . 50338 1 523 . 1 . 1 75 75 THR C C 13 176.6 0.3 . 1 . . . . . 75 THR C . 50338 1 524 . 1 . 1 75 75 THR CA C 13 63.0 0.3 . 1 . . . . . 75 THR CA . 50338 1 525 . 1 . 1 75 75 THR CB C 13 67.8 0.3 . 1 . . . . . 75 THR CB . 50338 1 526 . 1 . 1 75 75 THR N N 15 115.3 0.3 . 1 . . . . . 75 THR N . 50338 1 527 . 1 . 1 76 76 ALA H H 1 7.93 0.03 . 1 . . . . . 76 ALA H . 50338 1 528 . 1 . 1 76 76 ALA HA H 1 4.69 0.03 . 1 . . . . . 76 ALA HA . 50338 1 529 . 1 . 1 76 76 ALA HB1 H 1 1.20 0.03 . 1 . . . . . 76 ALA HB . 50338 1 530 . 1 . 1 76 76 ALA HB2 H 1 1.20 0.03 . 1 . . . . . 76 ALA HB . 50338 1 531 . 1 . 1 76 76 ALA HB3 H 1 1.20 0.03 . 1 . . . . . 76 ALA HB . 50338 1 532 . 1 . 1 76 76 ALA C C 13 173.8 0.3 . 1 . . . . . 76 ALA C . 50338 1 533 . 1 . 1 76 76 ALA CA C 13 50.1 0.3 . 1 . . . . . 76 ALA CA . 50338 1 534 . 1 . 1 76 76 ALA CB C 13 20.5 0.3 . 1 . . . . . 76 ALA CB . 50338 1 535 . 1 . 1 76 76 ALA N N 15 123.9 0.3 . 1 . . . . . 76 ALA N . 50338 1 536 . 1 . 1 77 77 PRO C C 13 175.8 0.3 . 1 . . . . . 77 PRO C . 50338 1 537 . 1 . 1 77 77 PRO CA C 13 60.9 0.3 . 1 . . . . . 77 PRO CA . 50338 1 538 . 1 . 1 77 77 PRO CB C 13 27.8 0.3 . 1 . . . . . 77 PRO CB . 50338 1 539 . 1 . 1 78 78 HIS H H 1 8.04 0.03 . 1 . . . . . 78 HIS H . 50338 1 540 . 1 . 1 78 78 HIS HA H 1 4.52 0.03 . 1 . . . . . 78 HIS HA . 50338 1 541 . 1 . 1 78 78 HIS HB2 H 1 2.65 0.03 . 1 . . . . . 78 HIS HB2 . 50338 1 542 . 1 . 1 78 78 HIS C C 13 175.5 0.3 . 1 . . . . . 78 HIS C . 50338 1 543 . 1 . 1 78 78 HIS CA C 13 56.8 0.3 . 1 . . . . . 78 HIS CA . 50338 1 544 . 1 . 1 78 78 HIS CB C 13 28.5 0.3 . 1 . . . . . 78 HIS CB . 50338 1 545 . 1 . 1 78 78 HIS N N 15 130.0 0.3 . 1 . . . . . 78 HIS N . 50338 1 546 . 1 . 1 79 79 ASN C C 13 175.3 0.3 . 1 . . . . . 79 ASN C . 50338 1 547 . 1 . 1 79 79 ASN CA C 13 56.5 0.3 . 1 . . . . . 79 ASN CA . 50338 1 548 . 1 . 1 79 79 ASN CB C 13 37.5 0.3 . 1 . . . . . 79 ASN CB . 50338 1 549 . 1 . 1 80 80 THR H H 1 8.16 0.03 . 1 . . . . . 80 THR H . 50338 1 550 . 1 . 1 80 80 THR C C 13 172.3 0.3 . 1 . . . . . 80 THR C . 50338 1 551 . 1 . 1 80 80 THR CA C 13 64.4 0.3 . 1 . . . . . 80 THR CA . 50338 1 552 . 1 . 1 80 80 THR CB C 13 72.610 0.3 . 1 . . . . . 80 THR CB . 50338 1 553 . 1 . 1 80 80 THR N N 15 121.4 0.3 . 1 . . . . . 80 THR N . 50338 1 554 . 1 . 1 81 81 SER H H 1 8.17 0.03 . 1 . . . . . 81 SER H . 50338 1 555 . 1 . 1 81 81 SER HA H 1 4.36 0.03 . 1 . . . . . 81 SER HA . 50338 1 556 . 1 . 1 81 81 SER HB2 H 1 3.78 0.03 . 1 . . . . . 81 SER HB2 . 50338 1 557 . 1 . 1 81 81 SER C C 13 172.9 0.3 . 1 . . . . . 81 SER C . 50338 1 558 . 1 . 1 81 81 SER CA C 13 57.0 0.3 . 1 . . . . . 81 SER CA . 50338 1 559 . 1 . 1 81 81 SER CB C 13 62.6 0.3 . 1 . . . . . 81 SER CB . 50338 1 560 . 1 . 1 81 81 SER N N 15 120.0 0.3 . 1 . . . . . 81 SER N . 50338 1 561 . 1 . 1 82 82 THR H H 1 7.77 0.03 . 1 . . . . . 82 THR H . 50338 1 562 . 1 . 1 82 82 THR HA H 1 5.36 0.03 . 1 . . . . . 82 THR HA . 50338 1 563 . 1 . 1 82 82 THR HB H 1 4.12 0.03 . 1 . . . . . 82 THR HB . 50338 1 564 . 1 . 1 82 82 THR HG21 H 1 1.09 0.03 . 1 . . . . . 82 THR HG2 . 50338 1 565 . 1 . 1 82 82 THR HG22 H 1 1.09 0.03 . 1 . . . . . 82 THR HG2 . 50338 1 566 . 1 . 1 82 82 THR HG23 H 1 1.09 0.03 . 1 . . . . . 82 THR HG2 . 50338 1 567 . 1 . 1 82 82 THR C C 13 172.6 0.3 . 1 . . . . . 82 THR C . 50338 1 568 . 1 . 1 82 82 THR CA C 13 57.6 0.3 . 1 . . . . . 82 THR CA . 50338 1 569 . 1 . 1 82 82 THR CB C 13 72.6 0.3 . 1 . . . . . 82 THR CB . 50338 1 570 . 1 . 1 82 82 THR CG2 C 13 21.3 0.3 . 1 . . . . . 82 THR CG2 . 50338 1 571 . 1 . 1 82 82 THR N N 15 107.9 0.3 . 1 . . . . . 82 THR N . 50338 1 572 . 1 . 1 83 83 TRP H H 1 9.08 0.03 . 1 . . . . . 83 TRP H . 50338 1 573 . 1 . 1 83 83 TRP HA H 1 5.16 0.03 . 1 . . . . . 83 TRP HA . 50338 1 574 . 1 . 1 83 83 TRP HB2 H 1 3.08 0.03 . 1 . . . . . 83 TRP HB2 . 50338 1 575 . 1 . 1 83 83 TRP C C 13 176.5 0.3 . 1 . . . . . 83 TRP C . 50338 1 576 . 1 . 1 83 83 TRP CA C 13 54.8 0.3 . 1 . . . . . 83 TRP CA . 50338 1 577 . 1 . 1 83 83 TRP CB C 13 30.1 0.3 . 1 . . . . . 83 TRP CB . 50338 1 578 . 1 . 1 83 83 TRP N N 15 121.5 0.3 . 1 . . . . . 83 TRP N . 50338 1 579 . 1 . 1 84 84 GLU H H 1 9.23 0.03 . 1 . . . . . 84 GLU H . 50338 1 580 . 1 . 1 84 84 GLU HA H 1 4.86 0.03 . 1 . . . . . 84 GLU HA . 50338 1 581 . 1 . 1 84 84 GLU HB2 H 1 2.22 0.03 . 1 . . . . . 84 GLU HB2 . 50338 1 582 . 1 . 1 84 84 GLU C C 13 174.6 0.3 . 1 . . . . . 84 GLU C . 50338 1 583 . 1 . 1 84 84 GLU CA C 13 55.3 0.3 . 1 . . . . . 84 GLU CA . 50338 1 584 . 1 . 1 84 84 GLU CB C 13 34.9 0.3 . 1 . . . . . 84 GLU CB . 50338 1 585 . 1 . 1 84 84 GLU N N 15 122.3 0.3 . 1 . . . . . 84 GLU N . 50338 1 586 . 1 . 1 85 85 TYR H H 1 8.76 0.03 . 1 . . . . . 85 TYR H . 50338 1 587 . 1 . 1 85 85 TYR HA H 1 4.67 0.03 . 1 . . . . . 85 TYR HA . 50338 1 588 . 1 . 1 85 85 TYR HB2 H 1 2.98 0.03 . 2 . . . . . 85 TYR HB2 . 50338 1 589 . 1 . 1 85 85 TYR HB3 H 1 2.89 0.03 . 2 . . . . . 85 TYR HB3 . 50338 1 590 . 1 . 1 85 85 TYR C C 13 175.4 0.3 . 1 . . . . . 85 TYR C . 50338 1 591 . 1 . 1 85 85 TYR CA C 13 57.5 0.3 . 1 . . . . . 85 TYR CA . 50338 1 592 . 1 . 1 85 85 TYR CB C 13 40.7 0.3 . 1 . . . . . 85 TYR CB . 50338 1 593 . 1 . 1 85 85 TYR N N 15 118.7 0.3 . 1 . . . . . 85 TYR N . 50338 1 594 . 1 . 1 86 86 PHE H H 1 10.41 0.03 . 1 . . . . . 86 PHE H . 50338 1 595 . 1 . 1 86 86 PHE HA H 1 5.14 0.03 . 1 . . . . . 86 PHE HA . 50338 1 596 . 1 . 1 86 86 PHE HB2 H 1 3.37 0.03 . 1 . . . . . 86 PHE HB2 . 50338 1 597 . 1 . 1 86 86 PHE C C 13 176.0 0.3 . 1 . . . . . 86 PHE C . 50338 1 598 . 1 . 1 86 86 PHE CA C 13 56.3 0.3 . 1 . . . . . 86 PHE CA . 50338 1 599 . 1 . 1 86 86 PHE CB C 13 42.3 0.3 . 1 . . . . . 86 PHE CB . 50338 1 600 . 1 . 1 86 86 PHE N N 15 125.6 0.3 . 1 . . . . . 86 PHE N . 50338 1 601 . 1 . 1 87 87 VAL H H 1 9.22 0.03 . 1 . . . . . 87 VAL H . 50338 1 602 . 1 . 1 87 87 VAL HA H 1 4.27 0.03 . 1 . . . . . 87 VAL HA . 50338 1 603 . 1 . 1 87 87 VAL HB H 1 1.74 0.03 . 1 . . . . . 87 VAL HB . 50338 1 604 . 1 . 1 87 87 VAL HG11 H 1 0.44 0.03 . 1 . . . . . 87 VAL HG1 . 50338 1 605 . 1 . 1 87 87 VAL HG12 H 1 0.44 0.03 . 1 . . . . . 87 VAL HG1 . 50338 1 606 . 1 . 1 87 87 VAL HG13 H 1 0.44 0.03 . 1 . . . . . 87 VAL HG1 . 50338 1 607 . 1 . 1 87 87 VAL C C 13 175.9 0.3 . 1 . . . . . 87 VAL C . 50338 1 608 . 1 . 1 87 87 VAL CA C 13 62.0 0.3 . 1 . . . . . 87 VAL CA . 50338 1 609 . 1 . 1 87 87 VAL CB C 13 32.5 0.3 . 1 . . . . . 87 VAL CB . 50338 1 610 . 1 . 1 87 87 VAL CG1 C 13 20.0 0.3 . 1 . . . . . 87 VAL CG1 . 50338 1 611 . 1 . 1 87 87 VAL N N 15 120.0 0.3 . 1 . . . . . 87 VAL N . 50338 1 612 . 1 . 1 88 88 ASP H H 1 9.36 0.03 . 1 . . . . . 88 ASP H . 50338 1 613 . 1 . 1 88 88 ASP HA H 1 4.39 0.03 . 1 . . . . . 88 ASP HA . 50338 1 614 . 1 . 1 88 88 ASP HB2 H 1 2.99 0.03 . 2 . . . . . 88 ASP HB2 . 50338 1 615 . 1 . 1 88 88 ASP HB3 H 1 2.94 0.03 . 2 . . . . . 88 ASP HB3 . 50338 1 616 . 1 . 1 88 88 ASP C C 13 176.7 0.3 . 1 . . . . . 88 ASP C . 50338 1 617 . 1 . 1 88 88 ASP CA C 13 55.6 0.3 . 1 . . . . . 88 ASP CA . 50338 1 618 . 1 . 1 88 88 ASP CB C 13 39.5 0.3 . 1 . . . . . 88 ASP CB . 50338 1 619 . 1 . 1 88 88 ASP N N 15 130.9 0.3 . 1 . . . . . 88 ASP N . 50338 1 620 . 1 . 1 89 89 GLY H H 1 9.39 0.03 . 1 . . . . . 89 GLY H . 50338 1 621 . 1 . 1 89 89 GLY HA2 H 1 4.25 0.03 . 2 . . . . . 89 GLY HA2 . 50338 1 622 . 1 . 1 89 89 GLY HA3 H 1 3.47 0.03 . 2 . . . . . 89 GLY HA3 . 50338 1 623 . 1 . 1 89 89 GLY C C 13 173.9 0.3 . 1 . . . . . 89 GLY C . 50338 1 624 . 1 . 1 89 89 GLY CA C 13 45.8 0.3 . 1 . . . . . 89 GLY CA . 50338 1 625 . 1 . 1 89 89 GLY N N 15 103.3 0.3 . 1 . . . . . 89 GLY N . 50338 1 626 . 1 . 1 90 90 GLN H H 1 8.05 0.03 . 1 . . . . . 90 GLN H . 50338 1 627 . 1 . 1 90 90 GLN HA H 1 4.82 0.03 . 1 . . . . . 90 GLN HA . 50338 1 628 . 1 . 1 90 90 GLN HB2 H 1 2.18 0.03 . 2 . . . . . 90 GLN HB2 . 50338 1 629 . 1 . 1 90 90 GLN HB3 H 1 2.13 0.03 . 2 . . . . . 90 GLN HB3 . 50338 1 630 . 1 . 1 90 90 GLN HG2 H 1 2.42 0.03 . 2 . . . . . 90 GLN HG2 . 50338 1 631 . 1 . 1 90 90 GLN HG3 H 1 2.34 0.03 . 2 . . . . . 90 GLN HG3 . 50338 1 632 . 1 . 1 90 90 GLN C C 13 176.4 0.3 . 1 . . . . . 90 GLN C . 50338 1 633 . 1 . 1 90 90 GLN CA C 13 54.0 0.3 . 1 . . . . . 90 GLN CA . 50338 1 634 . 1 . 1 90 90 GLN CB C 13 30.3 0.3 . 1 . . . . . 90 GLN CB . 50338 1 635 . 1 . 1 90 90 GLN N N 15 120.1 0.3 . 1 . . . . . 90 GLN N . 50338 1 636 . 1 . 1 91 91 LEU H H 1 9.24 0.03 . 1 . . . . . 91 LEU H . 50338 1 637 . 1 . 1 91 91 LEU HA H 1 4.75 0.03 . 1 . . . . . 91 LEU HA . 50338 1 638 . 1 . 1 91 91 LEU HB2 H 1 2.00 0.03 . 1 . . . . . 91 LEU HB2 . 50338 1 639 . 1 . 1 91 91 LEU HD11 H 1 0.74 0.03 . 1 . . . . . 91 LEU HD1 . 50338 1 640 . 1 . 1 91 91 LEU HD12 H 1 0.74 0.03 . 1 . . . . . 91 LEU HD1 . 50338 1 641 . 1 . 1 91 91 LEU HD13 H 1 0.74 0.03 . 1 . . . . . 91 LEU HD1 . 50338 1 642 . 1 . 1 91 91 LEU HD21 H 1 0.61 0.03 . 1 . . . . . 91 LEU HD2 . 50338 1 643 . 1 . 1 91 91 LEU HD22 H 1 0.61 0.03 . 1 . . . . . 91 LEU HD2 . 50338 1 644 . 1 . 1 91 91 LEU HD23 H 1 0.61 0.03 . 1 . . . . . 91 LEU HD2 . 50338 1 645 . 1 . 1 91 91 LEU C C 13 175.5 0.3 . 1 . . . . . 91 LEU C . 50338 1 646 . 1 . 1 91 91 LEU CA C 13 58.0 0.3 . 1 . . . . . 91 LEU CA . 50338 1 647 . 1 . 1 91 91 LEU CB C 13 40.8 0.3 . 1 . . . . . 91 LEU CB . 50338 1 648 . 1 . 1 91 91 LEU N N 15 130.2 0.3 . 1 . . . . . 91 LEU N . 50338 1 649 . 1 . 1 92 92 HIS H H 1 9.69 0.03 . 1 . . . . . 92 HIS H . 50338 1 650 . 1 . 1 92 92 HIS HA H 1 4.73 0.03 . 1 . . . . . 92 HIS HA . 50338 1 651 . 1 . 1 92 92 HIS HB2 H 1 2.98 0.03 . 1 . . . . . 92 HIS HB2 . 50338 1 652 . 1 . 1 92 92 HIS C C 13 174.8 0.3 . 1 . . . . . 92 HIS C . 50338 1 653 . 1 . 1 92 92 HIS CA C 13 58.0 0.3 . 1 . . . . . 92 HIS CA . 50338 1 654 . 1 . 1 92 92 HIS CB C 13 34.3 0.3 . 1 . . . . . 92 HIS CB . 50338 1 655 . 1 . 1 92 92 HIS N N 15 127.8 0.3 . 1 . . . . . 92 HIS N . 50338 1 656 . 1 . 1 93 93 GLN H H 1 8.00 0.03 . 1 . . . . . 93 GLN H . 50338 1 657 . 1 . 1 93 93 GLN HA H 1 4.47 0.03 . 1 . . . . . 93 GLN HA . 50338 1 658 . 1 . 1 93 93 GLN HB2 H 1 1.87 0.03 . 2 . . . . . 93 GLN HB2 . 50338 1 659 . 1 . 1 93 93 GLN HB3 H 1 1.83 0.03 . 2 . . . . . 93 GLN HB3 . 50338 1 660 . 1 . 1 93 93 GLN HG2 H 1 2.17 0.03 . 1 . . . . . 93 GLN HG2 . 50338 1 661 . 1 . 1 93 93 GLN C C 13 173.3 0.3 . 1 . . . . . 93 GLN C . 50338 1 662 . 1 . 1 93 93 GLN CA C 13 56.0 0.3 . 1 . . . . . 93 GLN CA . 50338 1 663 . 1 . 1 93 93 GLN CB C 13 36.5 0.3 . 1 . . . . . 93 GLN CB . 50338 1 664 . 1 . 1 93 93 GLN N N 15 116.3 0.3 . 1 . . . . . 93 GLN N . 50338 1 665 . 1 . 1 94 94 THR H H 1 8.16 0.03 . 1 . . . . . 94 THR H . 50338 1 666 . 1 . 1 94 94 THR HA H 1 4.43 0.03 . 1 . . . . . 94 THR HA . 50338 1 667 . 1 . 1 94 94 THR HB H 1 3.79 0.03 . 1 . . . . . 94 THR HB . 50338 1 668 . 1 . 1 94 94 THR HG21 H 1 1.88 0.03 . 1 . . . . . 94 THR HG1 . 50338 1 669 . 1 . 1 94 94 THR HG22 H 1 1.88 0.03 . 1 . . . . . 94 THR HG1 . 50338 1 670 . 1 . 1 94 94 THR HG23 H 1 1.88 0.03 . 1 . . . . . 94 THR HG1 . 50338 1 671 . 1 . 1 94 94 THR C C 13 173.6 0.3 . 1 . . . . . 94 THR C . 50338 1 672 . 1 . 1 94 94 THR CA C 13 61.6 0.3 . 1 . . . . . 94 THR CA . 50338 1 673 . 1 . 1 94 94 THR CB C 13 71.6 0.3 . 1 . . . . . 94 THR CB . 50338 1 674 . 1 . 1 94 94 THR N N 15 116.3 0.3 . 1 . . . . . 94 THR N . 50338 1 675 . 1 . 1 95 95 PHE H H 1 9.46 0.03 . 1 . . . . . 95 PHE H . 50338 1 676 . 1 . 1 95 95 PHE HA H 1 4.68 0.03 . 1 . . . . . 95 PHE HA . 50338 1 677 . 1 . 1 95 95 PHE HB2 H 1 3.06 0.03 . 1 . . . . . 95 PHE HB2 . 50338 1 678 . 1 . 1 95 95 PHE C C 13 174.3 0.3 . 1 . . . . . 95 PHE C . 50338 1 679 . 1 . 1 95 95 PHE CA C 13 57.1 0.3 . 1 . . . . . 95 PHE CA . 50338 1 680 . 1 . 1 95 95 PHE CB C 13 41.7 0.3 . 1 . . . . . 95 PHE CB . 50338 1 681 . 1 . 1 95 95 PHE N N 15 124.0 0.3 . 1 . . . . . 95 PHE N . 50338 1 682 . 1 . 1 96 96 ASP H H 1 9.09 0.03 . 1 . . . . . 96 ASP H . 50338 1 683 . 1 . 1 96 96 ASP HA H 1 4.69 0.03 . 1 . . . . . 96 ASP HA . 50338 1 684 . 1 . 1 96 96 ASP HB2 H 1 2.95 0.03 . 2 . . . . . 96 ASP HB2 . 50338 1 685 . 1 . 1 96 96 ASP HB3 H 1 2.89 0.03 . 2 . . . . . 96 ASP HB3 . 50338 1 686 . 1 . 1 96 96 ASP C C 13 176.4 0.3 . 1 . . . . . 96 ASP C . 50338 1 687 . 1 . 1 96 96 ASP CA C 13 53.6 0.3 . 1 . . . . . 96 ASP CA . 50338 1 688 . 1 . 1 96 96 ASP CB C 13 42.7 0.3 . 1 . . . . . 96 ASP CB . 50338 1 689 . 1 . 1 96 96 ASP N N 15 124.0 0.3 . 1 . . . . . 96 ASP N . 50338 1 690 . 1 . 1 97 97 GLN H H 1 9.44 0.03 . 1 . . . . . 97 GLN H . 50338 1 691 . 1 . 1 97 97 GLN HA H 1 4.24 0.03 . 1 . . . . . 97 GLN HA . 50338 1 692 . 1 . 1 97 97 GLN HB2 H 1 2.38 0.03 . 2 . . . . . 97 GLN HB2 . 50338 1 693 . 1 . 1 97 97 GLN HB3 H 1 2.05 0.03 . 2 . . . . . 97 GLN HB3 . 50338 1 694 . 1 . 1 97 97 GLN HG2 H 1 0.72 0.03 . 2 . . . . . 97 GLN HG2 . 50338 1 695 . 1 . 1 97 97 GLN HG3 H 1 0.44 0.03 . 2 . . . . . 97 GLN HG3 . 50338 1 696 . 1 . 1 97 97 GLN C C 13 179.0 0.3 . 1 . . . . . 97 GLN C . 50338 1 697 . 1 . 1 97 97 GLN CA C 13 53.9 0.3 . 1 . . . . . 97 GLN CA . 50338 1 698 . 1 . 1 97 97 GLN CB C 13 31.3 0.3 . 1 . . . . . 97 GLN CB . 50338 1 699 . 1 . 1 97 97 GLN N N 15 130.1 0.3 . 1 . . . . . 97 GLN N . 50338 1 700 . 1 . 1 98 98 LYS H H 1 9.52 0.03 . 1 . . . . . 98 LYS H . 50338 1 701 . 1 . 1 98 98 LYS HA H 1 3.89 0.03 . 1 . . . . . 98 LYS HA . 50338 1 702 . 1 . 1 98 98 LYS HB2 H 1 2.00 0.03 . 1 . . . . . 98 LYS HB2 . 50338 1 703 . 1 . 1 98 98 LYS C C 13 176.6 0.3 . 1 . . . . . 98 LYS C . 50338 1 704 . 1 . 1 98 98 LYS CA C 13 57.3 0.3 . 1 . . . . . 98 LYS CA . 50338 1 705 . 1 . 1 98 98 LYS CB C 13 29.5 0.3 . 1 . . . . . 98 LYS CB . 50338 1 706 . 1 . 1 98 98 LYS N N 15 117.0 0.3 . 1 . . . . . 98 LYS N . 50338 1 707 . 1 . 1 99 99 GLY H H 1 8.28 0.03 . 1 . . . . . 99 GLY H . 50338 1 708 . 1 . 1 99 99 GLY HA2 H 1 4.00 0.03 . 2 . . . . . 99 GLY HA2 . 50338 1 709 . 1 . 1 99 99 GLY HA3 H 1 3.45 0.03 . 2 . . . . . 99 GLY HA3 . 50338 1 710 . 1 . 1 99 99 GLY C C 13 175.6 0.3 . 1 . . . . . 99 GLY C . 50338 1 711 . 1 . 1 99 99 GLY CA C 13 46.3 0.3 . 1 . . . . . 99 GLY CA . 50338 1 712 . 1 . 1 99 99 GLY N N 15 106.9 0.3 . 1 . . . . . 99 GLY N . 50338 1 713 . 1 . 1 100 100 GLN H H 1 7.50 0.03 . 1 . . . . . 100 GLN H . 50338 1 714 . 1 . 1 100 100 GLN HA H 1 4.23 0.03 . 1 . . . . . 100 GLN HA . 50338 1 715 . 1 . 1 100 100 GLN HB2 H 1 2.07 0.03 . 1 . . . . . 100 GLN HB2 . 50338 1 716 . 1 . 1 100 100 GLN HG2 H 1 2.37 0.03 . 1 . . . . . 100 GLN HG2 . 50338 1 717 . 1 . 1 100 100 GLN C C 13 176.2 0.3 . 1 . . . . . 100 GLN C . 50338 1 718 . 1 . 1 100 100 GLN CA C 13 54.7 0.3 . 1 . . . . . 100 GLN CA . 50338 1 719 . 1 . 1 100 100 GLN CB C 13 30.4 0.3 . 1 . . . . . 100 GLN CB . 50338 1 720 . 1 . 1 100 100 GLN CG C 13 33.0 0.3 . 1 . . . . . 100 GLN CG . 50338 1 721 . 1 . 1 100 100 GLN N N 15 118.1 0.3 . 1 . . . . . 100 GLN N . 50338 1 722 . 1 . 1 101 101 GLN H H 1 8.83 0.03 . 1 . . . . . 101 GLN H . 50338 1 723 . 1 . 1 101 101 GLN HA H 1 4.29 0.03 . 1 . . . . . 101 GLN HA . 50338 1 724 . 1 . 1 101 101 GLN HB2 H 1 2.00 0.03 . 1 . . . . . 101 GLN HB2 . 50338 1 725 . 1 . 1 101 101 GLN HG2 H 1 2.30 0.03 . 1 . . . . . 101 GLN HG2 . 50338 1 726 . 1 . 1 101 101 GLN C C 13 174.7 0.3 . 1 . . . . . 101 GLN C . 50338 1 727 . 1 . 1 101 101 GLN CA C 13 54.4 0.3 . 1 . . . . . 101 GLN CA . 50338 1 728 . 1 . 1 101 101 GLN CB C 13 29.2 0.3 . 1 . . . . . 101 GLN CB . 50338 1 729 . 1 . 1 101 101 GLN CG C 13 30.2 0.3 . 1 . . . . . 101 GLN CG . 50338 1 730 . 1 . 1 101 101 GLN N N 15 121.8 0.3 . 1 . . . . . 101 GLN N . 50338 1 731 . 1 . 1 103 103 PRO C C 13 174.2 0.3 . 1 . . . . . 103 PRO C . 50338 1 732 . 1 . 1 103 103 PRO CA C 13 61.9 0.3 . 1 . . . . . 103 PRO CA . 50338 1 733 . 1 . 1 103 103 PRO CB C 13 32.1 0.3 . 1 . . . . . 103 PRO CB . 50338 1 734 . 1 . 1 104 104 THR H H 1 7.68 0.03 . 1 . . . . . 104 THR H . 50338 1 735 . 1 . 1 104 104 THR HA H 1 4.44 0.03 . 1 . . . . . 104 THR HA . 50338 1 736 . 1 . 1 104 104 THR HG21 H 1 1.19 0.03 . 1 . . . . . 104 THR HG2 . 50338 1 737 . 1 . 1 104 104 THR HG22 H 1 1.19 0.03 . 1 . . . . . 104 THR HG2 . 50338 1 738 . 1 . 1 104 104 THR HG23 H 1 1.19 0.03 . 1 . . . . . 104 THR HG2 . 50338 1 739 . 1 . 1 104 104 THR C C 13 175.1 0.3 . 1 . . . . . 104 THR C . 50338 1 740 . 1 . 1 104 104 THR CA C 13 64.1 0.3 . 1 . . . . . 104 THR CA . 50338 1 741 . 1 . 1 104 104 THR CB C 13 68.8 0.3 . 1 . . . . . 104 THR CB . 50338 1 742 . 1 . 1 104 104 THR CG2 C 13 21.4 0.3 . 1 . . . . . 104 THR CG2 . 50338 1 743 . 1 . 1 104 104 THR N N 15 103.6 0.3 . 1 . . . . . 104 THR N . 50338 1 744 . 1 . 1 105 105 SER H H 1 6.94 0.03 . 1 . . . . . 105 SER H . 50338 1 745 . 1 . 1 105 105 SER HA H 1 4.31 0.03 . 1 . . . . . 105 SER HA . 50338 1 746 . 1 . 1 105 105 SER HB2 H 1 3.78 0.03 . 2 . . . . . 105 SER HB2 . 50338 1 747 . 1 . 1 105 105 SER HB3 H 1 3.73 0.03 . 2 . . . . . 105 SER HB3 . 50338 1 748 . 1 . 1 105 105 SER C C 13 172.8 0.3 . 1 . . . . . 105 SER C . 50338 1 749 . 1 . 1 105 105 SER CA C 13 56.9 0.3 . 1 . . . . . 105 SER CA . 50338 1 750 . 1 . 1 105 105 SER CB C 13 64.0 0.3 . 1 . . . . . 105 SER CB . 50338 1 751 . 1 . 1 105 105 SER N N 15 113.7 0.3 . 1 . . . . . 105 SER N . 50338 1 752 . 1 . 1 106 106 LEU H H 1 7.38 0.03 . 1 . . . . . 106 LEU H . 50338 1 753 . 1 . 1 106 106 LEU HA H 1 4.51 0.03 . 1 . . . . . 106 LEU HA . 50338 1 754 . 1 . 1 106 106 LEU HB2 H 1 2.29 0.03 . 1 . . . . . 106 LEU HB2 . 50338 1 755 . 1 . 1 106 106 LEU HD11 H 1 0.80 0.03 . 1 . . . . . 106 LEU HD1 . 50338 1 756 . 1 . 1 106 106 LEU HD12 H 1 0.80 0.03 . 1 . . . . . 106 LEU HD1 . 50338 1 757 . 1 . 1 106 106 LEU HD13 H 1 0.80 0.03 . 1 . . . . . 106 LEU HD1 . 50338 1 758 . 1 . 1 106 106 LEU C C 13 173.7 0.3 . 1 . . . . . 106 LEU C . 50338 1 759 . 1 . 1 106 106 LEU CA C 13 54.3 0.3 . 1 . . . . . 106 LEU CA . 50338 1 760 . 1 . 1 106 106 LEU CB C 13 45.0 0.3 . 1 . . . . . 106 LEU CB . 50338 1 761 . 1 . 1 106 106 LEU N N 15 126.3 0.3 . 1 . . . . . 106 LEU N . 50338 1 762 . 1 . 1 107 107 THR H H 1 8.00 0.03 . 1 . . . . . 107 THR H . 50338 1 763 . 1 . 1 107 107 THR HA H 1 4.32 0.03 . 1 . . . . . 107 THR HA . 50338 1 764 . 1 . 1 107 107 THR HB H 1 3.43 0.03 . 1 . . . . . 107 THR HB . 50338 1 765 . 1 . 1 107 107 THR HG21 H 1 0.82 0.03 . 1 . . . . . 107 THR HG1 . 50338 1 766 . 1 . 1 107 107 THR HG22 H 1 0.82 0.03 . 1 . . . . . 107 THR HG1 . 50338 1 767 . 1 . 1 107 107 THR HG23 H 1 0.82 0.03 . 1 . . . . . 107 THR HG1 . 50338 1 768 . 1 . 1 107 107 THR C C 13 173.6 0.3 . 1 . . . . . 107 THR C . 50338 1 769 . 1 . 1 107 107 THR CA C 13 60.8 0.3 . 1 . . . . . 107 THR CA . 50338 1 770 . 1 . 1 107 107 THR CB C 13 71.5 0.3 . 1 . . . . . 107 THR CB . 50338 1 771 . 1 . 1 107 107 THR CG2 C 13 21.5 0.3 . 1 . . . . . 107 THR CG2 . 50338 1 772 . 1 . 1 107 107 THR N N 15 120.9 0.3 . 1 . . . . . 107 THR N . 50338 1 773 . 1 . 1 108 108 HIS H H 1 9.05 0.03 . 1 . . . . . 108 HIS H . 50338 1 774 . 1 . 1 108 108 HIS HA H 1 4.48 0.03 . 1 . . . . . 108 HIS HA . 50338 1 775 . 1 . 1 108 108 HIS HB2 H 1 2.23 0.03 . 2 . . . . . 108 HIS HB2 . 50338 1 776 . 1 . 1 108 108 HIS HB3 H 1 2.03 0.03 . 2 . . . . . 108 HIS HB3 . 50338 1 777 . 1 . 1 108 108 HIS C C 13 174.4 0.3 . 1 . . . . . 108 HIS C . 50338 1 778 . 1 . 1 108 108 HIS CA C 13 53.5 0.3 . 1 . . . . . 108 HIS CA . 50338 1 779 . 1 . 1 108 108 HIS CB C 13 34.5 0.3 . 1 . . . . . 108 HIS CB . 50338 1 780 . 1 . 1 108 108 HIS N N 15 127.1 0.3 . 1 . . . . . 108 HIS N . 50338 1 781 . 1 . 1 109 109 THR H H 1 8.40 0.03 . 1 . . . . . 109 THR H . 50338 1 782 . 1 . 1 109 109 THR HA H 1 4.44 0.03 . 1 . . . . . 109 THR HA . 50338 1 783 . 1 . 1 109 109 THR HB H 1 3.78 0.03 . 1 . . . . . 109 THR HB . 50338 1 784 . 1 . 1 109 109 THR C C 13 174.9 0.3 . 1 . . . . . 109 THR C . 50338 1 785 . 1 . 1 109 109 THR CA C 13 62.5 0.3 . 1 . . . . . 109 THR CA . 50338 1 786 . 1 . 1 109 109 THR CB C 13 69.9 0.3 . 1 . . . . . 109 THR CB . 50338 1 787 . 1 . 1 109 109 THR N N 15 119.8 0.3 . 1 . . . . . 109 THR N . 50338 1 788 . 1 . 1 110 110 LEU H H 1 9.13 0.03 . 1 . . . . . 110 LEU H . 50338 1 789 . 1 . 1 110 110 LEU HA H 1 4.90 0.03 . 1 . . . . . 110 LEU HA . 50338 1 790 . 1 . 1 110 110 LEU HB2 H 1 1.63 0.03 . 1 . . . . . 110 LEU HB2 . 50338 1 791 . 1 . 1 110 110 LEU HD11 H 1 0.45 0.03 . 1 . . . . . 110 LEU HD1 . 50338 1 792 . 1 . 1 110 110 LEU HD12 H 1 0.45 0.03 . 1 . . . . . 110 LEU HD1 . 50338 1 793 . 1 . 1 110 110 LEU HD13 H 1 0.45 0.03 . 1 . . . . . 110 LEU HD1 . 50338 1 794 . 1 . 1 110 110 LEU HD21 H 1 0.32 0.03 . 1 . . . . . 110 LEU HD2 . 50338 1 795 . 1 . 1 110 110 LEU HD22 H 1 0.32 0.03 . 1 . . . . . 110 LEU HD2 . 50338 1 796 . 1 . 1 110 110 LEU HD23 H 1 0.32 0.03 . 1 . . . . . 110 LEU HD2 . 50338 1 797 . 1 . 1 110 110 LEU C C 13 176.2 0.3 . 1 . . . . . 110 LEU C . 50338 1 798 . 1 . 1 110 110 LEU CA C 13 53.1 0.3 . 1 . . . . . 110 LEU CA . 50338 1 799 . 1 . 1 110 110 LEU CB C 13 43.1 0.3 . 1 . . . . . 110 LEU CB . 50338 1 800 . 1 . 1 110 110 LEU N N 15 128.8 0.3 . 1 . . . . . 110 LEU N . 50338 1 801 . 1 . 1 111 111 THR H H 1 8.89 0.03 . 1 . . . . . 111 THR H . 50338 1 802 . 1 . 1 111 111 THR HA H 1 4.94 0.03 . 1 . . . . . 111 THR HA . 50338 1 803 . 1 . 1 111 111 THR C C 13 174.4 0.3 . 1 . . . . . 111 THR C . 50338 1 804 . 1 . 1 111 111 THR CA C 13 59.9 0.3 . 1 . . . . . 111 THR CA . 50338 1 805 . 1 . 1 111 111 THR CB C 13 71.8 0.3 . 1 . . . . . 111 THR CB . 50338 1 806 . 1 . 1 111 111 THR N N 15 110.5 0.3 . 1 . . . . . 111 THR N . 50338 1 807 . 1 . 1 112 112 ASP H H 1 8.71 0.03 . 1 . . . . . 112 ASP H . 50338 1 808 . 1 . 1 112 112 ASP HA H 1 4.10 0.03 . 1 . . . . . 112 ASP HA . 50338 1 809 . 1 . 1 112 112 ASP HB2 H 1 2.86 0.03 . 2 . . . . . 112 ASP HB2 . 50338 1 810 . 1 . 1 112 112 ASP HB3 H 1 2.67 0.03 . 2 . . . . . 112 ASP HB3 . 50338 1 811 . 1 . 1 112 112 ASP C C 13 175.3 0.3 . 1 . . . . . 112 ASP C . 50338 1 812 . 1 . 1 112 112 ASP CA C 13 55.2 0.3 . 1 . . . . . 112 ASP CA . 50338 1 813 . 1 . 1 112 112 ASP CB C 13 39.4 0.3 . 1 . . . . . 112 ASP CB . 50338 1 814 . 1 . 1 112 112 ASP N N 15 118.1 0.3 . 1 . . . . . 112 ASP N . 50338 1 815 . 1 . 1 113 113 LEU H H 1 8.73 0.03 . 1 . . . . . 113 LEU H . 50338 1 816 . 1 . 1 113 113 LEU HA H 1 3.95 0.03 . 1 . . . . . 113 LEU HA . 50338 1 817 . 1 . 1 113 113 LEU HB2 H 1 1.62 0.03 . 1 . . . . . 113 LEU HB2 . 50338 1 818 . 1 . 1 113 113 LEU HG H 1 1.32 0.03 . 1 . . . . . 113 LEU HG . 50338 1 819 . 1 . 1 113 113 LEU HD11 H 1 0.85 0.03 . 1 . . . . . 113 LEU HD1 . 50338 1 820 . 1 . 1 113 113 LEU HD12 H 1 0.85 0.03 . 1 . . . . . 113 LEU HD1 . 50338 1 821 . 1 . 1 113 113 LEU HD13 H 1 0.85 0.03 . 1 . . . . . 113 LEU HD1 . 50338 1 822 . 1 . 1 113 113 LEU HD21 H 1 0.54 0.03 . 1 . . . . . 113 LEU HD2 . 50338 1 823 . 1 . 1 113 113 LEU HD22 H 1 0.54 0.03 . 1 . . . . . 113 LEU HD2 . 50338 1 824 . 1 . 1 113 113 LEU HD23 H 1 0.54 0.03 . 1 . . . . . 113 LEU HD2 . 50338 1 825 . 1 . 1 113 113 LEU C C 13 174.6 0.3 . 1 . . . . . 113 LEU C . 50338 1 826 . 1 . 1 113 113 LEU CA C 13 53.6 0.3 . 1 . . . . . 113 LEU CA . 50338 1 827 . 1 . 1 113 113 LEU CB C 13 41.4 0.3 . 1 . . . . . 113 LEU CB . 50338 1 828 . 1 . 1 113 113 LEU N N 15 119.4 0.3 . 1 . . . . . 113 LEU N . 50338 1 829 . 1 . 1 114 114 PRO C C 13 175.8 0.3 . 1 . . . . . 114 PRO C . 50338 1 830 . 1 . 1 114 114 PRO CA C 13 61.7 0.3 . 1 . . . . . 114 PRO CA . 50338 1 831 . 1 . 1 114 114 PRO CB C 13 31.7 0.3 . 1 . . . . . 114 PRO CB . 50338 1 832 . 1 . 1 115 115 THR H H 1 7.85 0.03 . 1 . . . . . 115 THR H . 50338 1 833 . 1 . 1 115 115 THR HA H 1 4.44 0.03 . 1 . . . . . 115 THR HA . 50338 1 834 . 1 . 1 115 115 THR HB H 1 3.77 0.03 . 1 . . . . . 115 THR HB . 50338 1 835 . 1 . 1 115 115 THR HG21 H 1 1.19 0.03 . 1 . . . . . 115 THR HG2 . 50338 1 836 . 1 . 1 115 115 THR HG22 H 1 1.19 0.03 . 1 . . . . . 115 THR HG2 . 50338 1 837 . 1 . 1 115 115 THR HG23 H 1 1.19 0.03 . 1 . . . . . 115 THR HG2 . 50338 1 838 . 1 . 1 115 115 THR C C 13 177.7 0.3 . 1 . . . . . 115 THR C . 50338 1 839 . 1 . 1 115 115 THR CA C 13 63.2 0.3 . 1 . . . . . 115 THR CA . 50338 1 840 . 1 . 1 115 115 THR CB C 13 70.2 0.3 . 1 . . . . . 115 THR CB . 50338 1 841 . 1 . 1 115 115 THR N N 15 110.3 0.3 . 1 . . . . . 115 THR N . 50338 1 842 . 1 . 1 116 116 GLY H H 1 9.34 0.03 . 1 . . . . . 116 GLY H . 50338 1 843 . 1 . 1 116 116 GLY HA2 H 1 4.49 0.03 . 2 . . . . . 116 GLY HA2 . 50338 1 844 . 1 . 1 116 116 GLY HA3 H 1 3.75 0.03 . 2 . . . . . 116 GLY HA3 . 50338 1 845 . 1 . 1 116 116 GLY C C 13 173.5 0.3 . 1 . . . . . 116 GLY C . 50338 1 846 . 1 . 1 116 116 GLY CA C 13 44.1 0.3 . 1 . . . . . 116 GLY CA . 50338 1 847 . 1 . 1 116 116 GLY N N 15 114.1 0.3 . 1 . . . . . 116 GLY N . 50338 1 848 . 1 . 1 117 117 GLU H H 1 8.38 0.03 . 1 . . . . . 117 GLU H . 50338 1 849 . 1 . 1 117 117 GLU HA H 1 3.88 0.03 . 1 . . . . . 117 GLU HA . 50338 1 850 . 1 . 1 117 117 GLU HB2 H 1 1.93 0.03 . 1 . . . . . 117 GLU HB2 . 50338 1 851 . 1 . 1 117 117 GLU HG2 H 1 2.28 0.03 . 1 . . . . . 117 GLU HG2 . 50338 1 852 . 1 . 1 117 117 GLU C C 13 176.4 0.3 . 1 . . . . . 117 GLU C . 50338 1 853 . 1 . 1 117 117 GLU CA C 13 56.2 0.3 . 1 . . . . . 117 GLU CA . 50338 1 854 . 1 . 1 117 117 GLU CB C 13 29.6 0.3 . 1 . . . . . 117 GLU CB . 50338 1 855 . 1 . 1 117 117 GLU N N 15 121.8 0.3 . 1 . . . . . 117 GLU N . 50338 1 856 . 1 . 1 118 118 HIS H H 1 8.95 0.03 . 1 . . . . . 118 HIS H . 50338 1 857 . 1 . 1 118 118 HIS HA H 1 5.20 0.03 . 1 . . . . . 118 HIS HA . 50338 1 858 . 1 . 1 118 118 HIS HB2 H 1 3.08 0.03 . 2 . . . . . 118 HIS HB2 . 50338 1 859 . 1 . 1 118 118 HIS HB3 H 1 2.98 0.03 . 2 . . . . . 118 HIS HB3 . 50338 1 860 . 1 . 1 118 118 HIS C C 13 173.1 0.3 . 1 . . . . . 118 HIS C . 50338 1 861 . 1 . 1 118 118 HIS CA C 13 55.1 0.3 . 1 . . . . . 118 HIS CA . 50338 1 862 . 1 . 1 118 118 HIS CB C 13 34.4 0.3 . 1 . . . . . 118 HIS CB . 50338 1 863 . 1 . 1 118 118 HIS N N 15 119.9 0.3 . 1 . . . . . 118 HIS N . 50338 1 864 . 1 . 1 119 119 THR H H 1 8.92 0.03 . 1 . . . . . 119 THR H . 50338 1 865 . 1 . 1 119 119 THR HA H 1 5.07 0.03 . 1 . . . . . 119 THR HA . 50338 1 866 . 1 . 1 119 119 THR HB H 1 4.01 0.03 . 1 . . . . . 119 THR HB . 50338 1 867 . 1 . 1 119 119 THR C C 13 175.3 0.3 . 1 . . . . . 119 THR C . 50338 1 868 . 1 . 1 119 119 THR CA C 13 62.6 0.3 . 1 . . . . . 119 THR CA . 50338 1 869 . 1 . 1 119 119 THR CB C 13 71.0 0.3 . 1 . . . . . 119 THR CB . 50338 1 870 . 1 . 1 119 119 THR CG2 C 13 31.3 0.3 . 1 . . . . . 119 THR CG2 . 50338 1 871 . 1 . 1 119 119 THR N N 15 117.2 0.3 . 1 . . . . . 119 THR N . 50338 1 872 . 1 . 1 120 120 ILE H H 1 9.74 0.03 . 1 . . . . . 120 ILE H . 50338 1 873 . 1 . 1 120 120 ILE HA H 1 5.24 0.03 . 1 . . . . . 120 ILE HA . 50338 1 874 . 1 . 1 120 120 ILE HB H 1 1.89 0.03 . 1 . . . . . 120 ILE HB . 50338 1 875 . 1 . 1 120 120 ILE HG12 H 1 1.60 0.03 . 2 . . . . . 120 ILE HG12 . 50338 1 876 . 1 . 1 120 120 ILE HG13 H 1 0.95 0.03 . 2 . . . . . 120 ILE HG13 . 50338 1 877 . 1 . 1 120 120 ILE HD11 H 1 0.63 0.03 . 1 . . . . . 120 ILE HD1 . 50338 1 878 . 1 . 1 120 120 ILE HD12 H 1 0.63 0.03 . 1 . . . . . 120 ILE HD1 . 50338 1 879 . 1 . 1 120 120 ILE HD13 H 1 0.63 0.03 . 1 . . . . . 120 ILE HD1 . 50338 1 880 . 1 . 1 120 120 ILE C C 13 175.0 0.3 . 1 . . . . . 120 ILE C . 50338 1 881 . 1 . 1 120 120 ILE CA C 13 59.3 0.3 . 1 . . . . . 120 ILE CA . 50338 1 882 . 1 . 1 120 120 ILE CB C 13 40.2 0.3 . 1 . . . . . 120 ILE CB . 50338 1 883 . 1 . 1 120 120 ILE N N 15 130.9 0.3 . 1 . . . . . 120 ILE N . 50338 1 884 . 1 . 1 121 121 LEU H H 1 9.00 0.03 . 1 . . . . . 121 LEU H . 50338 1 885 . 1 . 1 121 121 LEU HA H 1 5.28 0.03 . 1 . . . . . 121 LEU HA . 50338 1 886 . 1 . 1 121 121 LEU HB2 H 1 1.47 0.03 . 1 . . . . . 121 LEU HB2 . 50338 1 887 . 1 . 1 121 121 LEU HD11 H 1 0.96 0.03 . 1 . . . . . 121 LEU HD1 . 50338 1 888 . 1 . 1 121 121 LEU HD12 H 1 0.96 0.03 . 1 . . . . . 121 LEU HD1 . 50338 1 889 . 1 . 1 121 121 LEU HD13 H 1 0.96 0.03 . 1 . . . . . 121 LEU HD1 . 50338 1 890 . 1 . 1 121 121 LEU HD21 H 1 0.89 0.03 . 1 . . . . . 121 LEU HD2 . 50338 1 891 . 1 . 1 121 121 LEU HD22 H 1 0.89 0.03 . 1 . . . . . 121 LEU HD2 . 50338 1 892 . 1 . 1 121 121 LEU HD23 H 1 0.89 0.03 . 1 . . . . . 121 LEU HD2 . 50338 1 893 . 1 . 1 121 121 LEU C C 13 174.5 0.3 . 1 . . . . . 121 LEU C . 50338 1 894 . 1 . 1 121 121 LEU CA C 13 54.1 0.3 . 1 . . . . . 121 LEU CA . 50338 1 895 . 1 . 1 121 121 LEU CB C 13 44.2 0.3 . 1 . . . . . 121 LEU CB . 50338 1 896 . 1 . 1 121 121 LEU N N 15 129.9 0.3 . 1 . . . . . 121 LEU N . 50338 1 897 . 1 . 1 122 122 ALA H H 1 9.86 0.03 . 1 . . . . . 122 ALA H . 50338 1 898 . 1 . 1 122 122 ALA HA H 1 5.40 0.03 . 1 . . . . . 122 ALA HA . 50338 1 899 . 1 . 1 122 122 ALA HB1 H 1 1.62 0.03 . 1 . . . . . 122 ALA HB . 50338 1 900 . 1 . 1 122 122 ALA HB2 H 1 1.62 0.03 . 1 . . . . . 122 ALA HB . 50338 1 901 . 1 . 1 122 122 ALA HB3 H 1 1.62 0.03 . 1 . . . . . 122 ALA HB . 50338 1 902 . 1 . 1 122 122 ALA C C 13 175.2 0.3 . 1 . . . . . 122 ALA C . 50338 1 903 . 1 . 1 122 122 ALA CA C 13 50.1 0.3 . 1 . . . . . 122 ALA CA . 50338 1 904 . 1 . 1 122 122 ALA CB C 13 24.4 0.3 . 1 . . . . . 122 ALA CB . 50338 1 905 . 1 . 1 122 122 ALA N N 15 131.2 0.3 . 1 . . . . . 122 ALA N . 50338 1 906 . 1 . 1 123 123 ARG H H 1 9.60 0.03 . 1 . . . . . 123 ARG H . 50338 1 907 . 1 . 1 123 123 ARG HA H 1 5.38 0.03 . 1 . . . . . 123 ARG HA . 50338 1 908 . 1 . 1 123 123 ARG HB2 H 1 2.10 0.03 . 1 . . . . . 123 ARG HB2 . 50338 1 909 . 1 . 1 123 123 ARG C C 13 174.0 0.3 . 1 . . . . . 123 ARG C . 50338 1 910 . 1 . 1 123 123 ARG CA C 13 55.2 0.3 . 1 . . . . . 123 ARG CA . 50338 1 911 . 1 . 1 123 123 ARG CB C 13 34.9 0.3 . 1 . . . . . 123 ARG CB . 50338 1 912 . 1 . 1 123 123 ARG N N 15 124.8 0.3 . 1 . . . . . 123 ARG N . 50338 1 913 . 1 . 1 124 124 TRP H H 1 9.02 0.03 . 1 . . . . . 124 TRP H . 50338 1 914 . 1 . 1 124 124 TRP HA H 1 4.52 0.03 . 1 . . . . . 124 TRP HA . 50338 1 915 . 1 . 1 124 124 TRP HB2 H 1 2.55 0.03 . 1 . . . . . 124 TRP HB2 . 50338 1 916 . 1 . 1 124 124 TRP C C 13 174.5 0.3 . 1 . . . . . 124 TRP C . 50338 1 917 . 1 . 1 124 124 TRP CA C 13 53.6 0.3 . 1 . . . . . 124 TRP CA . 50338 1 918 . 1 . 1 124 124 TRP CB C 13 31.9 0.3 . 1 . . . . . 124 TRP CB . 50338 1 919 . 1 . 1 124 124 TRP N N 15 128.1 0.3 . 1 . . . . . 124 TRP N . 50338 1 920 . 1 . 1 125 125 ASN H H 1 8.25 0.03 . 1 . . . . . 125 ASN H . 50338 1 921 . 1 . 1 125 125 ASN HA H 1 4.63 0.03 . 1 . . . . . 125 ASN HA . 50338 1 922 . 1 . 1 125 125 ASN HB2 H 1 2.91 0.03 . 2 . . . . . 125 ASN HB2 . 50338 1 923 . 1 . 1 125 125 ASN HB3 H 1 2.88 0.03 . 2 . . . . . 125 ASN HB3 . 50338 1 924 . 1 . 1 125 125 ASN C C 13 173.2 0.3 . 1 . . . . . 125 ASN C . 50338 1 925 . 1 . 1 125 125 ASN CA C 13 51.5 0.3 . 1 . . . . . 125 ASN CA . 50338 1 926 . 1 . 1 125 125 ASN CB C 13 40.3 0.3 . 1 . . . . . 125 ASN CB . 50338 1 927 . 1 . 1 125 125 ASN N N 15 123.8 0.3 . 1 . . . . . 125 ASN N . 50338 1 928 . 1 . 1 127 127 SER C C 13 176.3 0.3 . 1 . . . . . 127 SER C . 50338 1 929 . 1 . 1 127 127 SER CA C 13 61.3 0.3 . 1 . . . . . 127 SER CA . 50338 1 930 . 1 . 1 127 127 SER CB C 13 63.2 0.3 . 1 . . . . . 127 SER CB . 50338 1 931 . 1 . 1 128 128 ASN H H 1 8.40 0.03 . 1 . . . . . 128 ASN H . 50338 1 932 . 1 . 1 128 128 ASN C C 13 174.7 0.3 . 1 . . . . . 128 ASN C . 50338 1 933 . 1 . 1 128 128 ASN CA C 13 54.0 0.3 . 1 . . . . . 128 ASN CA . 50338 1 934 . 1 . 1 128 128 ASN CB C 13 37.9 0.3 . 1 . . . . . 128 ASN CB . 50338 1 935 . 1 . 1 128 128 ASN N N 15 117.0 0.3 . 1 . . . . . 128 ASN N . 50338 1 936 . 1 . 1 129 129 THR H H 1 7.22 0.03 . 1 . . . . . 129 THR H . 50338 1 937 . 1 . 1 129 129 THR HA H 1 4.65 0.03 . 1 . . . . . 129 THR HA . 50338 1 938 . 1 . 1 129 129 THR HB H 1 4.61 0.03 . 1 . . . . . 129 THR HB . 50338 1 939 . 1 . 1 129 129 THR HG21 H 1 1.01 0.03 . 1 . . . . . 129 THR HG1 . 50338 1 940 . 1 . 1 129 129 THR HG22 H 1 1.01 0.03 . 1 . . . . . 129 THR HG1 . 50338 1 941 . 1 . 1 129 129 THR HG23 H 1 1.01 0.03 . 1 . . . . . 129 THR HG1 . 50338 1 942 . 1 . 1 129 129 THR C C 13 173.5 0.3 . 1 . . . . . 129 THR C . 50338 1 943 . 1 . 1 129 129 THR CA C 13 59.8 0.3 . 1 . . . . . 129 THR CA . 50338 1 944 . 1 . 1 129 129 THR CB C 13 71.7 0.3 . 1 . . . . . 129 THR CB . 50338 1 945 . 1 . 1 129 129 THR N N 15 108.4 0.3 . 1 . . . . . 129 THR N . 50338 1 946 . 1 . 1 130 130 ASN H H 1 8.61 0.03 . 1 . . . . . 130 ASN H . 50338 1 947 . 1 . 1 130 130 ASN HA H 1 4.61 0.03 . 1 . . . . . 130 ASN HA . 50338 1 948 . 1 . 1 130 130 ASN HB2 H 1 2.48 0.03 . 1 . . . . . 130 ASN HB2 . 50338 1 949 . 1 . 1 130 130 ASN C C 13 175.2 0.3 . 1 . . . . . 130 ASN C . 50338 1 950 . 1 . 1 130 130 ASN CA C 13 52.6 0.3 . 1 . . . . . 130 ASN CA . 50338 1 951 . 1 . 1 130 130 ASN CB C 13 38.6 0.3 . 1 . . . . . 130 ASN CB . 50338 1 952 . 1 . 1 130 130 ASN N N 15 116.8 0.3 . 1 . . . . . 130 ASN N . 50338 1 953 . 1 . 1 131 131 ASN H H 1 7.75 0.03 . 1 . . . . . 131 ASN H . 50338 1 954 . 1 . 1 131 131 ASN HA H 1 5.03 0.03 . 1 . . . . . 131 ASN HA . 50338 1 955 . 1 . 1 131 131 ASN HB2 H 1 2.89 0.03 . 1 . . . . . 131 ASN HB2 . 50338 1 956 . 1 . 1 131 131 ASN C C 13 173.1 0.3 . 1 . . . . . 131 ASN C . 50338 1 957 . 1 . 1 131 131 ASN CA C 13 52.9 0.3 . 1 . . . . . 131 ASN CA . 50338 1 958 . 1 . 1 131 131 ASN CB C 13 41.9 0.3 . 1 . . . . . 131 ASN CB . 50338 1 959 . 1 . 1 131 131 ASN N N 15 117.3 0.3 . 1 . . . . . 131 ASN N . 50338 1 960 . 1 . 1 132 132 ALA H H 1 9.09 0.03 . 1 . . . . . 132 ALA H . 50338 1 961 . 1 . 1 132 132 ALA HA H 1 5.10 0.03 . 1 . . . . . 132 ALA HA . 50338 1 962 . 1 . 1 132 132 ALA C C 13 175.0 0.3 . 1 . . . . . 132 ALA C . 50338 1 963 . 1 . 1 132 132 ALA CA C 13 50.0 0.3 . 1 . . . . . 132 ALA CA . 50338 1 964 . 1 . 1 132 132 ALA CB C 13 23.7 0.3 . 1 . . . . . 132 ALA CB . 50338 1 965 . 1 . 1 132 132 ALA N N 15 121.7 0.3 . 1 . . . . . 132 ALA N . 50338 1 966 . 1 . 1 133 133 PHE H H 1 8.37 0.03 . 1 . . . . . 133 PHE H . 50338 1 967 . 1 . 1 133 133 PHE HA H 1 5.14 0.03 . 1 . . . . . 133 PHE HA . 50338 1 968 . 1 . 1 133 133 PHE HB2 H 1 2.47 0.03 . 1 . . . . . 133 PHE HB2 . 50338 1 969 . 1 . 1 133 133 PHE C C 13 177.3 0.3 . 1 . . . . . 133 PHE C . 50338 1 970 . 1 . 1 133 133 PHE CA C 13 56.4 0.3 . 1 . . . . . 133 PHE CA . 50338 1 971 . 1 . 1 133 133 PHE CB C 13 42.8 0.3 . 1 . . . . . 133 PHE CB . 50338 1 972 . 1 . 1 133 133 PHE N N 15 115.3 0.3 . 1 . . . . . 133 PHE N . 50338 1 973 . 1 . 1 134 134 TYR C C 13 176.3 0.3 . 1 . . . . . 134 TYR C . 50338 1 974 . 1 . 1 134 134 TYR CA C 13 59.6 0.3 . 1 . . . . . 134 TYR CA . 50338 1 975 . 1 . 1 134 134 TYR CB C 13 41.6 0.3 . 1 . . . . . 134 TYR CB . 50338 1 976 . 1 . 1 135 135 ASN H H 1 8.95 0.03 . 1 . . . . . 135 ASN H . 50338 1 977 . 1 . 1 135 135 ASN HA H 1 4.51 0.03 . 1 . . . . . 135 ASN HA . 50338 1 978 . 1 . 1 135 135 ASN HB2 H 1 2.34 0.03 . 2 . . . . . 135 ASN HB2 . 50338 1 979 . 1 . 1 135 135 ASN HB3 H 1 2.28 0.03 . 2 . . . . . 135 ASN HB3 . 50338 1 980 . 1 . 1 135 135 ASN C C 13 173.9 0.3 . 1 . . . . . 135 ASN C . 50338 1 981 . 1 . 1 135 135 ASN CA C 13 52.4 0.3 . 1 . . . . . 135 ASN CA . 50338 1 982 . 1 . 1 135 135 ASN CB C 13 45.8 0.3 . 1 . . . . . 135 ASN CB . 50338 1 983 . 1 . 1 135 135 ASN N N 15 119.6 0.3 . 1 . . . . . 135 ASN N . 50338 1 984 . 1 . 1 136 136 CYS H H 1 9.89 0.03 . 1 . . . . . 136 CYS H . 50338 1 985 . 1 . 1 136 136 CYS C C 13 173.8 0.3 . 1 . . . . . 136 CYS C . 50338 1 986 . 1 . 1 136 136 CYS CA C 13 53.4 0.3 . 1 . . . . . 136 CYS CA . 50338 1 987 . 1 . 1 136 136 CYS CB C 13 43.1 0.3 . 1 . . . . . 136 CYS CB . 50338 1 988 . 1 . 1 136 136 CYS N N 15 123.5 0.3 . 1 . . . . . 136 CYS N . 50338 1 989 . 1 . 1 137 137 MET H H 1 9.63 0.03 . 1 . . . . . 137 MET H . 50338 1 990 . 1 . 1 137 137 MET HA H 1 5.00 0.03 . 1 . . . . . 137 MET HA . 50338 1 991 . 1 . 1 137 137 MET HB2 H 1 1.87 0.03 . 1 . . . . . 137 MET HB2 . 50338 1 992 . 1 . 1 137 137 MET C C 13 174.5 0.3 . 1 . . . . . 137 MET C . 50338 1 993 . 1 . 1 137 137 MET CA C 13 54.9 0.3 . 1 . . . . . 137 MET CA . 50338 1 994 . 1 . 1 137 137 MET CB C 13 30.9 0.3 . 1 . . . . . 137 MET CB . 50338 1 995 . 1 . 1 137 137 MET N N 15 121.1 0.3 . 1 . . . . . 137 MET N . 50338 1 996 . 1 . 1 138 138 ASP H H 1 10.13 0.03 . 1 . . . . . 138 ASP H . 50338 1 997 . 1 . 1 138 138 ASP HA H 1 4.76 0.03 . 1 . . . . . 138 ASP HA . 50338 1 998 . 1 . 1 138 138 ASP HB2 H 1 3.12 0.03 . 1 . . . . . 138 ASP HB2 . 50338 1 999 . 1 . 1 138 138 ASP C C 13 176.1 0.3 . 1 . . . . . 138 ASP C . 50338 1 1000 . 1 . 1 138 138 ASP CA C 13 55.0 0.3 . 1 . . . . . 138 ASP CA . 50338 1 1001 . 1 . 1 138 138 ASP CB C 13 41.9 0.3 . 1 . . . . . 138 ASP CB . 50338 1 1002 . 1 . 1 138 138 ASP N N 15 126.4 0.3 . 1 . . . . . 138 ASP N . 50338 1 1003 . 1 . 1 139 139 VAL H H 1 8.93 0.03 . 1 . . . . . 139 VAL H . 50338 1 1004 . 1 . 1 139 139 VAL HA H 1 5.55 0.03 . 1 . . . . . 139 VAL HA . 50338 1 1005 . 1 . 1 139 139 VAL HB H 1 2.07 0.03 . 1 . . . . . 139 VAL HB . 50338 1 1006 . 1 . 1 139 139 VAL HG11 H 1 0.69 0.03 . 1 . . . . . 139 VAL HG1 . 50338 1 1007 . 1 . 1 139 139 VAL HG12 H 1 0.69 0.03 . 1 . . . . . 139 VAL HG1 . 50338 1 1008 . 1 . 1 139 139 VAL HG13 H 1 0.69 0.03 . 1 . . . . . 139 VAL HG1 . 50338 1 1009 . 1 . 1 139 139 VAL C C 13 175.0 0.3 . 1 . . . . . 139 VAL C . 50338 1 1010 . 1 . 1 139 139 VAL CA C 13 58.5 0.3 . 1 . . . . . 139 VAL CA . 50338 1 1011 . 1 . 1 139 139 VAL CB C 13 36.8 0.3 . 1 . . . . . 139 VAL CB . 50338 1 1012 . 1 . 1 139 139 VAL CG1 C 13 20.2 0.3 . 1 . . . . . 139 VAL CG1 . 50338 1 1013 . 1 . 1 139 139 VAL N N 15 116.3 0.3 . 1 . . . . . 139 VAL N . 50338 1 1014 . 1 . 1 140 140 VAL H H 1 8.34 0.03 . 1 . . . . . 140 VAL H . 50338 1 1015 . 1 . 1 140 140 VAL HA H 1 4.35 0.03 . 1 . . . . . 140 VAL HA . 50338 1 1016 . 1 . 1 140 140 VAL HB H 1 2.10 0.03 . 1 . . . . . 140 VAL HB . 50338 1 1017 . 1 . 1 140 140 VAL HG11 H 1 0.76 0.03 . 1 . . . . . 140 VAL HG1 . 50338 1 1018 . 1 . 1 140 140 VAL HG12 H 1 0.76 0.03 . 1 . . . . . 140 VAL HG1 . 50338 1 1019 . 1 . 1 140 140 VAL HG13 H 1 0.76 0.03 . 1 . . . . . 140 VAL HG1 . 50338 1 1020 . 1 . 1 140 140 VAL HG21 H 1 0.71 0.03 . 1 . . . . . 140 VAL HG2 . 50338 1 1021 . 1 . 1 140 140 VAL HG22 H 1 0.71 0.03 . 1 . . . . . 140 VAL HG2 . 50338 1 1022 . 1 . 1 140 140 VAL HG23 H 1 0.71 0.03 . 1 . . . . . 140 VAL HG2 . 50338 1 1023 . 1 . 1 140 140 VAL C C 13 175.2 0.3 . 1 . . . . . 140 VAL C . 50338 1 1024 . 1 . 1 140 140 VAL CA C 13 62.0 0.3 . 1 . . . . . 140 VAL CA . 50338 1 1025 . 1 . 1 140 140 VAL CB C 13 33.8 0.3 . 1 . . . . . 140 VAL CB . 50338 1 1026 . 1 . 1 140 140 VAL N N 15 121.5 0.3 . 1 . . . . . 140 VAL N . 50338 1 1027 . 1 . 1 141 141 VAL H H 1 8.94 0.03 . 1 . . . . . 141 VAL H . 50338 1 1028 . 1 . 1 141 141 VAL HA H 1 3.53 0.03 . 1 . . . . . 141 VAL HA . 50338 1 1029 . 1 . 1 141 141 VAL HB H 1 1.48 0.03 . 1 . . . . . 141 VAL HB . 50338 1 1030 . 1 . 1 141 141 VAL C C 13 177.4 0.3 . 1 . . . . . 141 VAL C . 50338 1 1031 . 1 . 1 141 141 VAL CA C 13 61.3 0.3 . 1 . . . . . 141 VAL CA . 50338 1 1032 . 1 . 1 141 141 VAL CB C 13 32.3 0.3 . 1 . . . . . 141 VAL CB . 50338 1 1033 . 1 . 1 141 141 VAL N N 15 130.4 0.3 . 1 . . . . . 141 VAL N . 50338 1 1034 . 1 . 1 142 142 SER H H 1 8.68 0.03 . 1 . . . . . 142 SER H . 50338 1 1035 . 1 . 1 142 142 SER HA H 1 4.38 0.03 . 1 . . . . . 142 SER HA . 50338 1 1036 . 1 . 1 142 142 SER HB2 H 1 3.74 0.03 . 1 . . . . . 142 SER HB2 . 50338 1 1037 . 1 . 1 142 142 SER C C 13 178.4 0.3 . 1 . . . . . 142 SER C . 50338 1 1038 . 1 . 1 142 142 SER CA C 13 60.1 0.3 . 1 . . . . . 142 SER CA . 50338 1 1039 . 1 . 1 142 142 SER CB C 13 65.5 0.3 . 1 . . . . . 142 SER CB . 50338 1 1040 . 1 . 1 142 142 SER N N 15 130.8 0.3 . 1 . . . . . 142 SER N . 50338 1 stop_ save_