data_18837 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18837 _Entry.Title ; 15N, 13C and 1H Resonance Assignments and Secondary Structure Determination of a Variable Heavy Chain Antibody ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-11-13 _Entry.Accession_date 2012-11-13 _Entry.Last_release_date 2013-02-28 _Entry.Original_release_date 2013-02-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Christine Prosser . E. . 18837 2 Lorna Waters . C. . 18837 3 Frederick Muskett . W. . 18837 4 Vaclav Veverka . . . 18837 5 Philip Addis . W. . 18837 6 Laura Griffin . M. . 18837 7 Terry Baker . S. . 18837 8 Alastair Lawson . 'D G' . 18837 9 Ulrich Wernery . . . 18837 10 Jorg Kinne . . . 18837 11 Alistair Henry . J. . 18837 12 Richard Taylor . J. . 18837 13 Mark Carr . D. . 18837 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Carr Group, University of Leicester' . 18837 2 . 'UCB, Slough' . 18837 3 . 'Central Veterinary Research Laboratory, Dubai' . 18837 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18837 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 422 18837 '15N chemical shifts' 124 18837 '1H chemical shifts' 731 18837 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2013-02-28 2012-11-13 original author . 18837 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18837 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23359223 _Citation.Full_citation . _Citation.Title '(15)N, (13)C and (1)H resonance assignments and secondary structure determination of a variable heavy domain of a heavy chain antibody' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Christine Prosser . E. . 18837 1 2 Lorna Waters . C. . 18837 1 3 Frederick Muskett . W. . 18837 1 4 Vaclav Veverka . . . 18837 1 5 Philip Addis . W. . 18837 1 6 Laura Griffin . M. . 18837 1 7 Alastair Baker . S. . 18837 1 8 Alastair Lawson . 'D G' . 18837 1 9 Ulrich Wernery . . . 18837 1 10 Jorg Kinne . . . 18837 1 11 Alistair Henry . J. . 18837 1 12 Richard Taylor . J. . 18837 1 13 Mark Carr . D. . 18837 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18837 _Assembly.ID 1 _Assembly.Name 'VHH 18' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'VHH 18' 1 $VHH_18 A . yes native no no . . . 18837 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_VHH_18 _Entity.Sf_category entity _Entity.Sf_framecode VHH_18 _Entity.Entry_ID 18837 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name VHH_18 _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 ; MHHHHHHENLYFQGEVQLVE SGGGSVQAGGSLRLSCAASG LRISECTTGWYRQAPGKERE LVSKFSNLGTTWYTGSVKGR FTISQDSAKNTVYLQMNSLS PGDTAMYYCNTDLCPWYYEN TWGQGTQVTVSS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; -13,M -12,H -11,H ...... 116,V 117,S 118,S ; _Entity.Polymer_author_seq_details ; Residues -13 to 0 are the histidine tag and TEV cleavage site. Residues 1-118 are the native sequence ; _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 132 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 -13 MET . 18837 1 2 -12 HIS . 18837 1 3 -11 HIS . 18837 1 4 -10 HIS . 18837 1 5 -9 HIS . 18837 1 6 -8 HIS . 18837 1 7 -7 HIS . 18837 1 8 -6 GLU . 18837 1 9 -5 ASN . 18837 1 10 -4 LEU . 18837 1 11 -3 TYR . 18837 1 12 -2 PHE . 18837 1 13 -1 GLN . 18837 1 14 0 GLY . 18837 1 15 1 GLU . 18837 1 16 2 VAL . 18837 1 17 3 GLN . 18837 1 18 4 LEU . 18837 1 19 5 VAL . 18837 1 20 6 GLU . 18837 1 21 7 SER . 18837 1 22 8 GLY . 18837 1 23 9 GLY . 18837 1 24 10 GLY . 18837 1 25 11 SER . 18837 1 26 12 VAL . 18837 1 27 13 GLN . 18837 1 28 14 ALA . 18837 1 29 15 GLY . 18837 1 30 16 GLY . 18837 1 31 17 SER . 18837 1 32 18 LEU . 18837 1 33 19 ARG . 18837 1 34 20 LEU . 18837 1 35 21 SER . 18837 1 36 22 CYS . 18837 1 37 23 ALA . 18837 1 38 24 ALA . 18837 1 39 25 SER . 18837 1 40 26 GLY . 18837 1 41 27 LEU . 18837 1 42 28 ARG . 18837 1 43 29 ILE . 18837 1 44 30 SER . 18837 1 45 31 GLU . 18837 1 46 32 CYS . 18837 1 47 33 THR . 18837 1 48 34 THR . 18837 1 49 35 GLY . 18837 1 50 36 TRP . 18837 1 51 37 TYR . 18837 1 52 38 ARG . 18837 1 53 39 GLN . 18837 1 54 40 ALA . 18837 1 55 41 PRO . 18837 1 56 42 GLY . 18837 1 57 43 LYS . 18837 1 58 44 GLU . 18837 1 59 45 ARG . 18837 1 60 46 GLU . 18837 1 61 47 LEU . 18837 1 62 48 VAL . 18837 1 63 49 SER . 18837 1 64 50 LYS . 18837 1 65 51 PHE . 18837 1 66 52 SER . 18837 1 67 53 ASN . 18837 1 68 54 LEU . 18837 1 69 55 GLY . 18837 1 70 56 THR . 18837 1 71 57 THR . 18837 1 72 58 TRP . 18837 1 73 59 TYR . 18837 1 74 60 THR . 18837 1 75 61 GLY . 18837 1 76 62 SER . 18837 1 77 63 VAL . 18837 1 78 64 LYS . 18837 1 79 65 GLY . 18837 1 80 66 ARG . 18837 1 81 67 PHE . 18837 1 82 68 THR . 18837 1 83 69 ILE . 18837 1 84 70 SER . 18837 1 85 71 GLN . 18837 1 86 72 ASP . 18837 1 87 73 SER . 18837 1 88 74 ALA . 18837 1 89 75 LYS . 18837 1 90 76 ASN . 18837 1 91 77 THR . 18837 1 92 78 VAL . 18837 1 93 79 TYR . 18837 1 94 80 LEU . 18837 1 95 81 GLN . 18837 1 96 82 MET . 18837 1 97 83 ASN . 18837 1 98 84 SER . 18837 1 99 85 LEU . 18837 1 100 86 SER . 18837 1 101 87 PRO . 18837 1 102 88 GLY . 18837 1 103 89 ASP . 18837 1 104 90 THR . 18837 1 105 91 ALA . 18837 1 106 92 MET . 18837 1 107 93 TYR . 18837 1 108 94 TYR . 18837 1 109 95 CYS . 18837 1 110 96 ASN . 18837 1 111 97 THR . 18837 1 112 98 ASP . 18837 1 113 99 LEU . 18837 1 114 100 CYS . 18837 1 115 101 PRO . 18837 1 116 102 TRP . 18837 1 117 103 TYR . 18837 1 118 104 TYR . 18837 1 119 105 GLU . 18837 1 120 106 ASN . 18837 1 121 107 THR . 18837 1 122 108 TRP . 18837 1 123 109 GLY . 18837 1 124 110 GLN . 18837 1 125 111 GLY . 18837 1 126 112 THR . 18837 1 127 113 GLN . 18837 1 128 114 VAL . 18837 1 129 115 THR . 18837 1 130 116 VAL . 18837 1 131 117 SER . 18837 1 132 118 SER . 18837 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18837 1 . HIS 2 2 18837 1 . HIS 3 3 18837 1 . HIS 4 4 18837 1 . HIS 5 5 18837 1 . HIS 6 6 18837 1 . HIS 7 7 18837 1 . GLU 8 8 18837 1 . ASN 9 9 18837 1 . LEU 10 10 18837 1 . TYR 11 11 18837 1 . PHE 12 12 18837 1 . GLN 13 13 18837 1 . GLY 14 14 18837 1 . GLU 15 15 18837 1 . VAL 16 16 18837 1 . GLN 17 17 18837 1 . LEU 18 18 18837 1 . VAL 19 19 18837 1 . GLU 20 20 18837 1 . SER 21 21 18837 1 . GLY 22 22 18837 1 . GLY 23 23 18837 1 . GLY 24 24 18837 1 . SER 25 25 18837 1 . VAL 26 26 18837 1 . GLN 27 27 18837 1 . ALA 28 28 18837 1 . GLY 29 29 18837 1 . GLY 30 30 18837 1 . SER 31 31 18837 1 . LEU 32 32 18837 1 . ARG 33 33 18837 1 . LEU 34 34 18837 1 . SER 35 35 18837 1 . CYS 36 36 18837 1 . ALA 37 37 18837 1 . ALA 38 38 18837 1 . SER 39 39 18837 1 . GLY 40 40 18837 1 . LEU 41 41 18837 1 . ARG 42 42 18837 1 . ILE 43 43 18837 1 . SER 44 44 18837 1 . GLU 45 45 18837 1 . CYS 46 46 18837 1 . THR 47 47 18837 1 . THR 48 48 18837 1 . GLY 49 49 18837 1 . TRP 50 50 18837 1 . TYR 51 51 18837 1 . ARG 52 52 18837 1 . GLN 53 53 18837 1 . ALA 54 54 18837 1 . PRO 55 55 18837 1 . GLY 56 56 18837 1 . LYS 57 57 18837 1 . GLU 58 58 18837 1 . ARG 59 59 18837 1 . GLU 60 60 18837 1 . LEU 61 61 18837 1 . VAL 62 62 18837 1 . SER 63 63 18837 1 . LYS 64 64 18837 1 . PHE 65 65 18837 1 . SER 66 66 18837 1 . ASN 67 67 18837 1 . LEU 68 68 18837 1 . GLY 69 69 18837 1 . THR 70 70 18837 1 . THR 71 71 18837 1 . TRP 72 72 18837 1 . TYR 73 73 18837 1 . THR 74 74 18837 1 . GLY 75 75 18837 1 . SER 76 76 18837 1 . VAL 77 77 18837 1 . LYS 78 78 18837 1 . GLY 79 79 18837 1 . ARG 80 80 18837 1 . PHE 81 81 18837 1 . THR 82 82 18837 1 . ILE 83 83 18837 1 . SER 84 84 18837 1 . GLN 85 85 18837 1 . ASP 86 86 18837 1 . SER 87 87 18837 1 . ALA 88 88 18837 1 . LYS 89 89 18837 1 . ASN 90 90 18837 1 . THR 91 91 18837 1 . VAL 92 92 18837 1 . TYR 93 93 18837 1 . LEU 94 94 18837 1 . GLN 95 95 18837 1 . MET 96 96 18837 1 . ASN 97 97 18837 1 . SER 98 98 18837 1 . LEU 99 99 18837 1 . SER 100 100 18837 1 . PRO 101 101 18837 1 . GLY 102 102 18837 1 . ASP 103 103 18837 1 . THR 104 104 18837 1 . ALA 105 105 18837 1 . MET 106 106 18837 1 . TYR 107 107 18837 1 . TYR 108 108 18837 1 . CYS 109 109 18837 1 . ASN 110 110 18837 1 . THR 111 111 18837 1 . ASP 112 112 18837 1 . LEU 113 113 18837 1 . CYS 114 114 18837 1 . PRO 115 115 18837 1 . TRP 116 116 18837 1 . TYR 117 117 18837 1 . TYR 118 118 18837 1 . GLU 119 119 18837 1 . ASN 120 120 18837 1 . THR 121 121 18837 1 . TRP 122 122 18837 1 . GLY 123 123 18837 1 . GLN 124 124 18837 1 . GLY 125 125 18837 1 . THR 126 126 18837 1 . GLN 127 127 18837 1 . VAL 128 128 18837 1 . THR 129 129 18837 1 . VAL 130 130 18837 1 . SER 131 131 18837 1 . SER 132 132 18837 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18837 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $VHH_18 . 9835 organism . Camelidae Camelidae . . Eukaryota Metazoa . . . . . . . . . . . . . . . . . . . . . . . 18837 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 18837 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $VHH_18 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET21 . . . . . . 18837 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_13C _Sample.Sf_category sample _Sample.Sf_framecode 15N_13C _Sample.Entry_ID 18837 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'VHH 18' '[U-99% 13C; U-99% 15N]' . . 1 $VHH_18 . . 300-400 . . uM . . . . 18837 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 18837 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18837 1 4 EDTA 'natural abundance' . . . . . . 10 . . uM . . . . 18837 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18837 1 stop_ save_ save_15N _Sample.Sf_category sample _Sample.Sf_framecode 15N _Sample.Entry_ID 18837 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'VHH 18' '[U-99% 15N]' . . 1 $VHH_18 . . 300-400 . . uM . . . . 18837 2 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 18837 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18837 2 4 EDTA 'natural abundance' . . . . . . 10 . . uM . . . . 18837 2 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18837 2 stop_ save_ save_13C_UnlabelledAromatics _Sample.Sf_category sample _Sample.Sf_framecode 13C_UnlabelledAromatics _Sample.Entry_ID 18837 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'VHH 18' '[U-99% 13C]' . . 1 $VHH_18 . . 300-400 . . uM . . . . 18837 3 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 18837 3 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18837 3 4 EDTA 'natural abundance' . . . . . . 10 . . uM . . . . 18837 3 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18837 3 stop_ save_ save_13C _Sample.Sf_category sample _Sample.Sf_framecode 13C _Sample.Entry_ID 18837 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'VHH 18' '[U-99% 13C]' . . 1 $VHH_18 . . 300-400 . . uM . . . . 18837 4 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 18837 4 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18837 4 4 EDTA 'natural abundance' . . . . . . 10 . . uM . . . . 18837 4 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18837 4 stop_ save_ save_15N_13C_D2O _Sample.Sf_category sample _Sample.Sf_framecode 15N_13C_D2O _Sample.Entry_ID 18837 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'VHH 18' '[U-99% 13C; U-99% 15N]' . . 1 $VHH_18 . . 300-400 . . uM . . . . 18837 5 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 18837 5 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18837 5 4 EDTA 'natural abundance' . . . . . . 10 . . uM . . . . 18837 5 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18837 5 stop_ save_ save_15N_D2O _Sample.Sf_category sample _Sample.Sf_framecode 15N_D2O _Sample.Entry_ID 18837 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'VHH 18' '[U-99% 15N]' . . 1 $VHH_18 . . 300-400 . . uM . . . . 18837 6 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 18837 6 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18837 6 4 EDTA 'natural abundance' . . . . . . 10 . . uM . . . . 18837 6 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18837 6 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 18837 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.4 . pH 18837 1 pressure 1 . atm 18837 1 temperature 312 . K 18837 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18837 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18837 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18837 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18837 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18837 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18837 2 'peak picking' 18837 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18837 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18837 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18837 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600Avance _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600Avance _NMR_spectrometer.Entry_ID 18837 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_600DRX _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600DRX _NMR_spectrometer.Entry_ID 18837 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'With Cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_800Avance _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800Avance _NMR_spectrometer.Entry_ID 18837 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'With Cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18837 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 600Avance Bruker Avance . 600 . . . 18837 1 2 600DRX Bruker DRX . 600 'With Cryoprobe' . . 18837 1 3 800Avance Bruker Avance . 800 'With Cryoprobe' . . 18837 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18837 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H TOCSY' no . . . . . . . . . . 5 $15N_13C_D2O isotropic . . 1 $sample_conditions_1 . . . 2 $600DRX . . . . . . . . . . . . . . . . 18837 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 6 $15N_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $600Avance . . . . . . . . . . . . . . . . 18837 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $15N_13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18837 1 4 '3D 1H-15N TOCSY-HSQC' no . . . . . . . . . . 2 $15N isotropic . . 1 $sample_conditions_1 . . . 2 $600DRX . . . . . . . . . . . . . . . . 18837 1 5 '3D 1H-15N NOESY-HSQC' no . . . . . . . . . . 2 $15N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18837 1 6 '2D 1H-13C HSQC' no . . . . . . . . . . 5 $15N_13C_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $600Avance . . . . . . . . . . . . . . . . 18837 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 5 $15N_13C_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $600Avance . . . . . . . . . . . . . . . . 18837 1 8 '3D HNCACB' no . . . . . . . . . . 1 $15N_13C isotropic . . 1 $sample_conditions_1 . . . 3 $800Avance . . . . . . . . . . . . . . . . 18837 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $15N_13C isotropic . . 1 $sample_conditions_1 . . . 3 $800Avance . . . . . . . . . . . . . . . . 18837 1 10 '3D HNCO' no . . . . . . . . . . 1 $15N_13C isotropic . . 1 $sample_conditions_1 . . . 1 $600Avance . . . . . . . . . . . . . . . . 18837 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $13C_UnlabelledAromatics isotropic . . 1 $sample_conditions_1 . . . 2 $600DRX . . . . . . . . . . . . . . . . 18837 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18837 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18837 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.00 . . . . . . . . . 18837 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18837 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18837 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' . . . 18837 1 2 '2D 1H-1H NOESY' . . . 18837 1 3 '2D 1H-15N HSQC' . . . 18837 1 4 '3D 1H-15N TOCSY-HSQC' . . . 18837 1 5 '3D 1H-15N NOESY-HSQC' . . . 18837 1 6 '2D 1H-13C HSQC' . . . 18837 1 7 '3D HCCH-TOCSY' . . . 18837 1 8 '3D HNCACB' . . . 18837 1 9 '3D CBCA(CO)NH' . . . 18837 1 10 '3D HNCO' . . . 18837 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 HIS C C 13 175.048 0.400 . 1 . . . . -7 HIS C . 18837 1 2 . 1 1 7 7 HIS CA C 13 56.388 0.400 . 1 . . . . -7 HIS CA . 18837 1 3 . 1 1 7 7 HIS CB C 13 30.402 0.400 . 1 . . . . -7 HIS CB . 18837 1 4 . 1 1 8 8 GLU H H 1 8.471 0.020 . 1 . . . . -6 GLU H . 18837 1 5 . 1 1 8 8 GLU HA H 1 4.180 0.020 . 1 . . . . -6 GLU HA . 18837 1 6 . 1 1 8 8 GLU HB2 H 1 2.010 0.020 . 2 . . . . -6 GLU HB2 . 18837 1 7 . 1 1 8 8 GLU HB3 H 1 1.900 0.020 . 2 . . . . -6 GLU HB3 . 18837 1 8 . 1 1 8 8 GLU HG2 H 1 2.181 0.020 . 2 . . . . -6 GLU HG2 . 18837 1 9 . 1 1 8 8 GLU HG3 H 1 2.181 0.020 . 2 . . . . -6 GLU HG3 . 18837 1 10 . 1 1 8 8 GLU C C 13 176.076 0.400 . 1 . . . . -6 GLU C . 18837 1 11 . 1 1 8 8 GLU CA C 13 57.049 0.400 . 1 . . . . -6 GLU CA . 18837 1 12 . 1 1 8 8 GLU CB C 13 30.256 0.400 . 1 . . . . -6 GLU CB . 18837 1 13 . 1 1 8 8 GLU CG C 13 36.440 0.400 . 1 . . . . -6 GLU CG . 18837 1 14 . 1 1 8 8 GLU N N 15 121.623 0.400 . 1 . . . . -6 GLU N . 18837 1 15 . 1 1 9 9 ASN H H 1 8.454 0.020 . 1 . . . . -5 ASN H . 18837 1 16 . 1 1 9 9 ASN HA H 1 4.595 0.020 . 1 . . . . -5 ASN HA . 18837 1 17 . 1 1 9 9 ASN HB2 H 1 2.717 0.020 . 2 . . . . -5 ASN HB2 . 18837 1 18 . 1 1 9 9 ASN HB3 H 1 2.628 0.020 . 2 . . . . -5 ASN HB3 . 18837 1 19 . 1 1 9 9 ASN HD21 H 1 7.446 0.020 . 2 . . . . -5 ASN HD21 . 18837 1 20 . 1 1 9 9 ASN HD22 H 1 6.825 0.020 . 2 . . . . -5 ASN HD22 . 18837 1 21 . 1 1 9 9 ASN C C 13 175.057 0.400 . 1 . . . . -5 ASN C . 18837 1 22 . 1 1 9 9 ASN CA C 13 53.461 0.400 . 1 . . . . -5 ASN CA . 18837 1 23 . 1 1 9 9 ASN CB C 13 38.820 0.400 . 1 . . . . -5 ASN CB . 18837 1 24 . 1 1 9 9 ASN N N 15 119.069 0.400 . 1 . . . . -5 ASN N . 18837 1 25 . 1 1 9 9 ASN ND2 N 15 112.343 0.400 . 1 . . . . -5 ASN ND2 . 18837 1 26 . 1 1 10 10 LEU H H 1 8.006 0.020 . 1 . . . . -4 LEU H . 18837 1 27 . 1 1 10 10 LEU HA H 1 4.142 0.020 . 1 . . . . -4 LEU HA . 18837 1 28 . 1 1 10 10 LEU HB2 H 1 1.397 0.020 . 2 . . . . -4 LEU HB2 . 18837 1 29 . 1 1 10 10 LEU HB3 H 1 1.300 0.020 . 2 . . . . -4 LEU HB3 . 18837 1 30 . 1 1 10 10 LEU HG H 1 1.406 0.020 . 1 . . . . -4 LEU HG . 18837 1 31 . 1 1 10 10 LEU HD11 H 1 0.792 0.020 . 2 . . . . -4 LEU HD1 . 18837 1 32 . 1 1 10 10 LEU HD12 H 1 0.792 0.020 . 2 . . . . -4 LEU HD1 . 18837 1 33 . 1 1 10 10 LEU HD13 H 1 0.792 0.020 . 2 . . . . -4 LEU HD1 . 18837 1 34 . 1 1 10 10 LEU HD21 H 1 0.732 0.020 . 2 . . . . -4 LEU HD2 . 18837 1 35 . 1 1 10 10 LEU HD22 H 1 0.732 0.020 . 2 . . . . -4 LEU HD2 . 18837 1 36 . 1 1 10 10 LEU HD23 H 1 0.732 0.020 . 2 . . . . -4 LEU HD2 . 18837 1 37 . 1 1 10 10 LEU C C 13 176.943 0.400 . 1 . . . . -4 LEU C . 18837 1 38 . 1 1 10 10 LEU CA C 13 55.683 0.400 . 1 . . . . -4 LEU CA . 18837 1 39 . 1 1 10 10 LEU CB C 13 42.897 0.400 . 1 . . . . -4 LEU CB . 18837 1 40 . 1 1 10 10 LEU CG C 13 26.978 0.400 . 1 . . . . -4 LEU CG . 18837 1 41 . 1 1 10 10 LEU CD1 C 13 24.931 0.400 . 1 . . . . -4 LEU CD1 . 18837 1 42 . 1 1 10 10 LEU CD2 C 13 23.473 0.400 . 1 . . . . -4 LEU CD2 . 18837 1 43 . 1 1 10 10 LEU N N 15 122.039 0.400 . 1 . . . . -4 LEU N . 18837 1 44 . 1 1 11 11 TYR H H 1 7.869 0.020 . 1 . . . . -3 TYR H . 18837 1 45 . 1 1 11 11 TYR HA H 1 4.449 0.020 . 1 . . . . -3 TYR HA . 18837 1 46 . 1 1 11 11 TYR HB2 H 1 2.915 0.020 . 2 . . . . -3 TYR HB2 . 18837 1 47 . 1 1 11 11 TYR HB3 H 1 2.740 0.020 . 2 . . . . -3 TYR HB3 . 18837 1 48 . 1 1 11 11 TYR HD1 H 1 6.983 0.020 . 1 . . . . -3 TYR HD1 . 18837 1 49 . 1 1 11 11 TYR HD2 H 1 6.983 0.020 . 1 . . . . -3 TYR HD2 . 18837 1 50 . 1 1 11 11 TYR HE1 H 1 6.761 0.020 . 1 . . . . -3 TYR HE1 . 18837 1 51 . 1 1 11 11 TYR HE2 H 1 6.761 0.020 . 1 . . . . -3 TYR HE2 . 18837 1 52 . 1 1 11 11 TYR C C 13 175.447 0.400 . 1 . . . . -3 TYR C . 18837 1 53 . 1 1 11 11 TYR CA C 13 57.879 0.400 . 1 . . . . -3 TYR CA . 18837 1 54 . 1 1 11 11 TYR CB C 13 38.561 0.400 . 1 . . . . -3 TYR CB . 18837 1 55 . 1 1 11 11 TYR N N 15 119.175 0.400 . 1 . . . . -3 TYR N . 18837 1 56 . 1 1 12 12 PHE H H 1 7.807 0.020 . 1 . . . . -2 PHE H . 18837 1 57 . 1 1 12 12 PHE HA H 1 4.470 0.020 . 1 . . . . -2 PHE HA . 18837 1 58 . 1 1 12 12 PHE HB2 H 1 2.916 0.020 . 2 . . . . -2 PHE HB2 . 18837 1 59 . 1 1 12 12 PHE HB3 H 1 2.916 0.020 . 2 . . . . -2 PHE HB3 . 18837 1 60 . 1 1 12 12 PHE HD1 H 1 7.075 0.020 . 1 . . . . -2 PHE HD1 . 18837 1 61 . 1 1 12 12 PHE HD2 H 1 7.075 0.020 . 1 . . . . -2 PHE HD2 . 18837 1 62 . 1 1 12 12 PHE HE1 H 1 7.000 0.020 . 1 . . . . -2 PHE HE1 . 18837 1 63 . 1 1 12 12 PHE HE2 H 1 7.000 0.020 . 1 . . . . -2 PHE HE2 . 18837 1 64 . 1 1 12 12 PHE HZ H 1 7.210 0.020 . 1 . . . . -2 PHE HZ . 18837 1 65 . 1 1 12 12 PHE C C 13 175.184 0.400 . 1 . . . . -2 PHE C . 18837 1 66 . 1 1 12 12 PHE CA C 13 57.748 0.400 . 1 . . . . -2 PHE CA . 18837 1 67 . 1 1 12 12 PHE CB C 13 39.674 0.400 . 1 . . . . -2 PHE CB . 18837 1 68 . 1 1 12 12 PHE N N 15 120.762 0.400 . 1 . . . . -2 PHE N . 18837 1 69 . 1 1 13 13 GLN H H 1 7.994 0.020 . 1 . . . . -1 GLN H . 18837 1 70 . 1 1 13 13 GLN HA H 1 4.161 0.020 . 1 . . . . -1 GLN HA . 18837 1 71 . 1 1 13 13 GLN HB2 H 1 1.961 0.020 . 2 . . . . -1 GLN HB2 . 18837 1 72 . 1 1 13 13 GLN HB3 H 1 1.779 0.020 . 2 . . . . -1 GLN HB3 . 18837 1 73 . 1 1 13 13 GLN HG2 H 1 2.134 0.020 . 2 . . . . -1 GLN HG2 . 18837 1 74 . 1 1 13 13 GLN HG3 H 1 2.134 0.020 . 2 . . . . -1 GLN HG3 . 18837 1 75 . 1 1 13 13 GLN C C 13 175.577 0.400 . 1 . . . . -1 GLN C . 18837 1 76 . 1 1 13 13 GLN CA C 13 55.750 0.400 . 1 . . . . -1 GLN CA . 18837 1 77 . 1 1 13 13 GLN CB C 13 29.579 0.400 . 1 . . . . -1 GLN CB . 18837 1 78 . 1 1 13 13 GLN CG C 13 33.793 0.400 . 1 . . . . -1 GLN CG . 18837 1 79 . 1 1 13 13 GLN N N 15 121.945 0.400 . 1 . . . . -1 GLN N . 18837 1 80 . 1 1 14 14 GLY H H 1 7.386 0.020 . 1 . . . . 0 GLY H . 18837 1 81 . 1 1 14 14 GLY HA3 H 1 3.805 0.020 . 2 . . . . 0 GLY HA3 . 18837 1 82 . 1 1 14 14 GLY C C 13 173.145 0.400 . 1 . . . . 0 GLY C . 18837 1 83 . 1 1 14 14 GLY CA C 13 45.053 0.400 . 1 . . . . 0 GLY CA . 18837 1 84 . 1 1 14 14 GLY N N 15 108.556 0.400 . 1 . . . . 0 GLY N . 18837 1 85 . 1 1 15 15 GLU H H 1 8.102 0.020 . 1 . . . . 1 GLU H . 18837 1 86 . 1 1 15 15 GLU HA H 1 4.329 0.020 . 1 . . . . 1 GLU HA . 18837 1 87 . 1 1 15 15 GLU C C 13 176.311 0.400 . 1 . . . . 1 GLU C . 18837 1 88 . 1 1 15 15 GLU CA C 13 56.391 0.400 . 1 . . . . 1 GLU CA . 18837 1 89 . 1 1 15 15 GLU CB C 13 30.904 0.400 . 1 . . . . 1 GLU CB . 18837 1 90 . 1 1 15 15 GLU N N 15 119.760 0.400 . 1 . . . . 1 GLU N . 18837 1 91 . 1 1 16 16 VAL H H 1 8.103 0.020 . 1 . . . . 2 VAL H . 18837 1 92 . 1 1 16 16 VAL HA H 1 4.636 0.020 . 1 . . . . 2 VAL HA . 18837 1 93 . 1 1 16 16 VAL HB H 1 2.043 0.020 . 1 . . . . 2 VAL HB . 18837 1 94 . 1 1 16 16 VAL HG11 H 1 1.031 0.020 . 2 . . . . 2 VAL HG1 . 18837 1 95 . 1 1 16 16 VAL HG12 H 1 1.031 0.020 . 2 . . . . 2 VAL HG1 . 18837 1 96 . 1 1 16 16 VAL HG13 H 1 1.031 0.020 . 2 . . . . 2 VAL HG1 . 18837 1 97 . 1 1 16 16 VAL HG21 H 1 0.971 0.020 . 2 . . . . 2 VAL HG2 . 18837 1 98 . 1 1 16 16 VAL HG22 H 1 0.971 0.020 . 2 . . . . 2 VAL HG2 . 18837 1 99 . 1 1 16 16 VAL HG23 H 1 0.971 0.020 . 2 . . . . 2 VAL HG2 . 18837 1 100 . 1 1 16 16 VAL C C 13 176.130 0.400 . 1 . . . . 2 VAL C . 18837 1 101 . 1 1 16 16 VAL CA C 13 61.679 0.400 . 1 . . . . 2 VAL CA . 18837 1 102 . 1 1 16 16 VAL CB C 13 33.290 0.400 . 1 . . . . 2 VAL CB . 18837 1 103 . 1 1 16 16 VAL CG1 C 13 20.883 0.400 . 1 . . . . 2 VAL CG1 . 18837 1 104 . 1 1 16 16 VAL CG2 C 13 22.104 0.400 . 1 . . . . 2 VAL CG2 . 18837 1 105 . 1 1 16 16 VAL N N 15 120.725 0.400 . 1 . . . . 2 VAL N . 18837 1 106 . 1 1 17 17 GLN H H 1 8.491 0.020 . 1 . . . . 3 GLN H . 18837 1 107 . 1 1 17 17 GLN HA H 1 4.643 0.020 . 1 . . . . 3 GLN HA . 18837 1 108 . 1 1 17 17 GLN HB2 H 1 2.019 0.020 . 2 . . . . 3 GLN HB2 . 18837 1 109 . 1 1 17 17 GLN HB3 H 1 1.908 0.020 . 2 . . . . 3 GLN HB3 . 18837 1 110 . 1 1 17 17 GLN HG2 H 1 2.261 0.020 . 2 . . . . 3 GLN HG2 . 18837 1 111 . 1 1 17 17 GLN HG3 H 1 2.261 0.020 . 2 . . . . 3 GLN HG3 . 18837 1 112 . 1 1 17 17 GLN C C 13 173.315 0.400 . 1 . . . . 3 GLN C . 18837 1 113 . 1 1 17 17 GLN CA C 13 55.558 0.400 . 1 . . . . 3 GLN CA . 18837 1 114 . 1 1 17 17 GLN CB C 13 33.345 0.400 . 1 . . . . 3 GLN CB . 18837 1 115 . 1 1 17 17 GLN CG C 13 34.278 0.400 . 1 . . . . 3 GLN CG . 18837 1 116 . 1 1 17 17 GLN N N 15 123.395 0.400 . 1 . . . . 3 GLN N . 18837 1 117 . 1 1 18 18 LEU H H 1 8.349 0.020 . 1 . . . . 4 LEU H . 18837 1 118 . 1 1 18 18 LEU HA H 1 4.950 0.020 . 1 . . . . 4 LEU HA . 18837 1 119 . 1 1 18 18 LEU HB2 H 1 1.312 0.020 . 2 . . . . 4 LEU HB2 . 18837 1 120 . 1 1 18 18 LEU HB3 H 1 1.154 0.020 . 2 . . . . 4 LEU HB3 . 18837 1 121 . 1 1 18 18 LEU HG H 1 0.901 0.020 . 1 . . . . 4 LEU HG . 18837 1 122 . 1 1 18 18 LEU HD11 H 1 0.704 0.020 . 2 . . . . 4 LEU HD1 . 18837 1 123 . 1 1 18 18 LEU HD12 H 1 0.704 0.020 . 2 . . . . 4 LEU HD1 . 18837 1 124 . 1 1 18 18 LEU HD13 H 1 0.704 0.020 . 2 . . . . 4 LEU HD1 . 18837 1 125 . 1 1 18 18 LEU HD21 H 1 0.654 0.020 . 2 . . . . 4 LEU HD2 . 18837 1 126 . 1 1 18 18 LEU HD22 H 1 0.654 0.020 . 2 . . . . 4 LEU HD2 . 18837 1 127 . 1 1 18 18 LEU HD23 H 1 0.654 0.020 . 2 . . . . 4 LEU HD2 . 18837 1 128 . 1 1 18 18 LEU C C 13 176.074 0.400 . 1 . . . . 4 LEU C . 18837 1 129 . 1 1 18 18 LEU CA C 13 53.680 0.400 . 1 . . . . 4 LEU CA . 18837 1 130 . 1 1 18 18 LEU CB C 13 44.816 0.400 . 1 . . . . 4 LEU CB . 18837 1 131 . 1 1 18 18 LEU CG C 13 28.142 0.400 . 1 . . . . 4 LEU CG . 18837 1 132 . 1 1 18 18 LEU CD1 C 13 23.338 0.400 . 1 . . . . 4 LEU CD1 . 18837 1 133 . 1 1 18 18 LEU CD2 C 13 26.634 0.400 . 1 . . . . 4 LEU CD2 . 18837 1 134 . 1 1 18 18 LEU N N 15 122.606 0.400 . 1 . . . . 4 LEU N . 18837 1 135 . 1 1 19 19 VAL H H 1 8.587 0.020 . 1 . . . . 5 VAL H . 18837 1 136 . 1 1 19 19 VAL HA H 1 4.382 0.020 . 1 . . . . 5 VAL HA . 18837 1 137 . 1 1 19 19 VAL HB H 1 2.023 0.020 . 1 . . . . 5 VAL HB . 18837 1 138 . 1 1 19 19 VAL HG11 H 1 0.959 0.020 . 2 . . . . 5 VAL HG1 . 18837 1 139 . 1 1 19 19 VAL HG12 H 1 0.959 0.020 . 2 . . . . 5 VAL HG1 . 18837 1 140 . 1 1 19 19 VAL HG13 H 1 0.959 0.020 . 2 . . . . 5 VAL HG1 . 18837 1 141 . 1 1 19 19 VAL HG21 H 1 0.959 0.020 . 2 . . . . 5 VAL HG2 . 18837 1 142 . 1 1 19 19 VAL HG22 H 1 0.959 0.020 . 2 . . . . 5 VAL HG2 . 18837 1 143 . 1 1 19 19 VAL HG23 H 1 0.959 0.020 . 2 . . . . 5 VAL HG2 . 18837 1 144 . 1 1 19 19 VAL C C 13 176.509 0.400 . 1 . . . . 5 VAL C . 18837 1 145 . 1 1 19 19 VAL CA C 13 62.227 0.400 . 1 . . . . 5 VAL CA . 18837 1 146 . 1 1 19 19 VAL CB C 13 35.383 0.400 . 1 . . . . 5 VAL CB . 18837 1 147 . 1 1 19 19 VAL CG2 C 13 21.305 0.400 . 1 . . . . 5 VAL CG2 . 18837 1 148 . 1 1 19 19 VAL N N 15 120.312 0.400 . 1 . . . . 5 VAL N . 18837 1 149 . 1 1 20 20 GLU H H 1 10.039 0.020 . 1 . . . . 6 GLU H . 18837 1 150 . 1 1 20 20 GLU HA H 1 5.960 0.020 . 1 . . . . 6 GLU HA . 18837 1 151 . 1 1 20 20 GLU HB2 H 1 2.210 0.020 . 2 . . . . 6 GLU HB2 . 18837 1 152 . 1 1 20 20 GLU HB3 H 1 2.120 0.020 . 2 . . . . 6 GLU HB3 . 18837 1 153 . 1 1 20 20 GLU HG2 H 1 2.790 0.020 . 2 . . . . 6 GLU HG2 . 18837 1 154 . 1 1 20 20 GLU HG3 H 1 2.511 0.020 . 2 . . . . 6 GLU HG3 . 18837 1 155 . 1 1 20 20 GLU C C 13 177.210 0.400 . 1 . . . . 6 GLU C . 18837 1 156 . 1 1 20 20 GLU CA C 13 56.520 0.400 . 1 . . . . 6 GLU CA . 18837 1 157 . 1 1 20 20 GLU CB C 13 30.810 0.400 . 1 . . . . 6 GLU CB . 18837 1 158 . 1 1 20 20 GLU CG C 13 37.663 0.400 . 1 . . . . 6 GLU CG . 18837 1 159 . 1 1 20 20 GLU N N 15 131.835 0.400 . 1 . . . . 6 GLU N . 18837 1 160 . 1 1 21 21 SER H H 1 9.246 0.020 . 1 . . . . 7 SER H . 18837 1 161 . 1 1 21 21 SER HA H 1 4.870 0.020 . 1 . . . . 7 SER HA . 18837 1 162 . 1 1 21 21 SER HB2 H 1 3.943 0.020 . 2 . . . . 7 SER HB2 . 18837 1 163 . 1 1 21 21 SER HB3 H 1 3.852 0.020 . 2 . . . . 7 SER HB3 . 18837 1 164 . 1 1 21 21 SER C C 13 173.511 0.400 . 1 . . . . 7 SER C . 18837 1 165 . 1 1 21 21 SER CA C 13 57.733 0.400 . 1 . . . . 7 SER CA . 18837 1 166 . 1 1 21 21 SER CB C 13 65.594 0.400 . 1 . . . . 7 SER CB . 18837 1 167 . 1 1 21 21 SER N N 15 115.121 0.400 . 1 . . . . 7 SER N . 18837 1 168 . 1 1 22 22 GLY H H 1 8.653 0.020 . 1 . . . . 8 GLY H . 18837 1 169 . 1 1 22 22 GLY HA2 H 1 4.772 0.020 . 2 . . . . 8 GLY HA2 . 18837 1 170 . 1 1 22 22 GLY HA3 H 1 3.753 0.020 . 2 . . . . 8 GLY HA3 . 18837 1 171 . 1 1 22 22 GLY C C 13 174.435 0.400 . 1 . . . . 8 GLY C . 18837 1 172 . 1 1 22 22 GLY CA C 13 45.107 0.400 . 1 . . . . 8 GLY CA . 18837 1 173 . 1 1 22 22 GLY N N 15 107.752 0.400 . 1 . . . . 8 GLY N . 18837 1 174 . 1 1 23 23 GLY H H 1 7.543 0.020 . 1 . . . . 9 GLY H . 18837 1 175 . 1 1 23 23 GLY HA2 H 1 3.951 0.020 . 2 . . . . 9 GLY HA2 . 18837 1 176 . 1 1 23 23 GLY HA3 H 1 3.638 0.020 . 2 . . . . 9 GLY HA3 . 18837 1 177 . 1 1 23 23 GLY C C 13 172.903 0.400 . 1 . . . . 9 GLY C . 18837 1 178 . 1 1 23 23 GLY CA C 13 45.356 0.400 . 1 . . . . 9 GLY CA . 18837 1 179 . 1 1 23 23 GLY N N 15 105.409 0.400 . 1 . . . . 9 GLY N . 18837 1 180 . 1 1 24 24 GLY H H 1 7.594 0.020 . 1 . . . . 10 GLY H . 18837 1 181 . 1 1 24 24 GLY HA2 H 1 4.235 0.020 . 2 . . . . 10 GLY HA2 . 18837 1 182 . 1 1 24 24 GLY HA3 H 1 3.972 0.020 . 2 . . . . 10 GLY HA3 . 18837 1 183 . 1 1 24 24 GLY C C 13 171.526 0.400 . 1 . . . . 10 GLY C . 18837 1 184 . 1 1 24 24 GLY CA C 13 44.959 0.400 . 1 . . . . 10 GLY CA . 18837 1 185 . 1 1 24 24 GLY N N 15 106.987 0.400 . 1 . . . . 10 GLY N . 18837 1 186 . 1 1 25 25 SER H H 1 8.296 0.020 . 1 . . . . 11 SER H . 18837 1 187 . 1 1 25 25 SER HA H 1 5.693 0.020 . 1 . . . . 11 SER HA . 18837 1 188 . 1 1 25 25 SER HB2 H 1 3.792 0.020 . 2 . . . . 11 SER HB2 . 18837 1 189 . 1 1 25 25 SER HB3 H 1 3.704 0.020 . 2 . . . . 11 SER HB3 . 18837 1 190 . 1 1 25 25 SER C C 13 174.445 0.400 . 1 . . . . 11 SER C . 18837 1 191 . 1 1 25 25 SER CA C 13 56.538 0.400 . 1 . . . . 11 SER CA . 18837 1 192 . 1 1 25 25 SER CB C 13 64.255 0.400 . 1 . . . . 11 SER CB . 18837 1 193 . 1 1 25 25 SER N N 15 115.698 0.400 . 1 . . . . 11 SER N . 18837 1 194 . 1 1 26 26 VAL H H 1 8.775 0.020 . 1 . . . . 12 VAL H . 18837 1 195 . 1 1 26 26 VAL HA H 1 4.608 0.020 . 1 . . . . 12 VAL HA . 18837 1 196 . 1 1 26 26 VAL HB H 1 2.076 0.020 . 1 . . . . 12 VAL HB . 18837 1 197 . 1 1 26 26 VAL HG11 H 1 0.825 0.020 . 2 . . . . 12 VAL HG1 . 18837 1 198 . 1 1 26 26 VAL HG12 H 1 0.825 0.020 . 2 . . . . 12 VAL HG1 . 18837 1 199 . 1 1 26 26 VAL HG13 H 1 0.825 0.020 . 2 . . . . 12 VAL HG1 . 18837 1 200 . 1 1 26 26 VAL HG21 H 1 0.817 0.020 . 2 . . . . 12 VAL HG2 . 18837 1 201 . 1 1 26 26 VAL HG22 H 1 0.817 0.020 . 2 . . . . 12 VAL HG2 . 18837 1 202 . 1 1 26 26 VAL HG23 H 1 0.817 0.020 . 2 . . . . 12 VAL HG2 . 18837 1 203 . 1 1 26 26 VAL C C 13 173.665 0.400 . 1 . . . . 12 VAL C . 18837 1 204 . 1 1 26 26 VAL CA C 13 59.462 0.400 . 1 . . . . 12 VAL CA . 18837 1 205 . 1 1 26 26 VAL CB C 13 35.953 0.400 . 1 . . . . 12 VAL CB . 18837 1 206 . 1 1 26 26 VAL CG1 C 13 20.579 0.400 . 1 . . . . 12 VAL CG1 . 18837 1 207 . 1 1 26 26 VAL CG2 C 13 21.658 0.400 . 1 . . . . 12 VAL CG2 . 18837 1 208 . 1 1 26 26 VAL N N 15 121.665 0.400 . 1 . . . . 12 VAL N . 18837 1 209 . 1 1 27 27 GLN H H 1 8.226 0.020 . 1 . . . . 13 GLN H . 18837 1 210 . 1 1 27 27 GLN HA H 1 4.612 0.020 . 1 . . . . 13 GLN HA . 18837 1 211 . 1 1 27 27 GLN HB2 H 1 2.066 0.020 . 2 . . . . 13 GLN HB2 . 18837 1 212 . 1 1 27 27 GLN HB3 H 1 1.956 0.020 . 2 . . . . 13 GLN HB3 . 18837 1 213 . 1 1 27 27 GLN HG2 H 1 2.420 0.020 . 2 . . . . 13 GLN HG2 . 18837 1 214 . 1 1 27 27 GLN HG3 H 1 2.420 0.020 . 2 . . . . 13 GLN HG3 . 18837 1 215 . 1 1 27 27 GLN HE21 H 1 7.607 0.020 . 2 . . . . 13 GLN HE21 . 18837 1 216 . 1 1 27 27 GLN HE22 H 1 6.787 0.020 . 2 . . . . 13 GLN HE22 . 18837 1 217 . 1 1 27 27 GLN C C 13 175.949 0.400 . 1 . . . . 13 GLN C . 18837 1 218 . 1 1 27 27 GLN CA C 13 55.039 0.400 . 1 . . . . 13 GLN CA . 18837 1 219 . 1 1 27 27 GLN CB C 13 30.210 0.400 . 1 . . . . 13 GLN CB . 18837 1 220 . 1 1 27 27 GLN CG C 13 34.032 0.400 . 1 . . . . 13 GLN CG . 18837 1 221 . 1 1 27 27 GLN N N 15 122.797 0.400 . 1 . . . . 13 GLN N . 18837 1 222 . 1 1 27 27 GLN NE2 N 15 112.146 0.400 . 1 . . . . 13 GLN NE2 . 18837 1 223 . 1 1 28 28 ALA H H 1 8.252 0.020 . 1 . . . . 14 ALA H . 18837 1 224 . 1 1 28 28 ALA HA H 1 3.703 0.020 . 1 . . . . 14 ALA HA . 18837 1 225 . 1 1 28 28 ALA HB1 H 1 1.402 0.020 . 1 . . . . 14 ALA HB . 18837 1 226 . 1 1 28 28 ALA HB2 H 1 1.402 0.020 . 1 . . . . 14 ALA HB . 18837 1 227 . 1 1 28 28 ALA HB3 H 1 1.402 0.020 . 1 . . . . 14 ALA HB . 18837 1 228 . 1 1 28 28 ALA C C 13 178.226 0.400 . 1 . . . . 14 ALA C . 18837 1 229 . 1 1 28 28 ALA CA C 13 53.895 0.400 . 1 . . . . 14 ALA CA . 18837 1 230 . 1 1 28 28 ALA CB C 13 18.082 0.400 . 1 . . . . 14 ALA CB . 18837 1 231 . 1 1 28 28 ALA N N 15 124.295 0.400 . 1 . . . . 14 ALA N . 18837 1 232 . 1 1 29 29 GLY H H 1 9.607 0.020 . 1 . . . . 15 GLY H . 18837 1 233 . 1 1 29 29 GLY HA2 H 1 4.469 0.020 . 2 . . . . 15 GLY HA2 . 18837 1 234 . 1 1 29 29 GLY HA3 H 1 3.574 0.020 . 2 . . . . 15 GLY HA3 . 18837 1 235 . 1 1 29 29 GLY C C 13 175.515 0.400 . 1 . . . . 15 GLY C . 18837 1 236 . 1 1 29 29 GLY CA C 13 44.917 0.400 . 1 . . . . 15 GLY CA . 18837 1 237 . 1 1 29 29 GLY N N 15 112.791 0.400 . 1 . . . . 15 GLY N . 18837 1 238 . 1 1 30 30 GLY H H 1 8.439 0.020 . 1 . . . . 16 GLY H . 18837 1 239 . 1 1 30 30 GLY HA2 H 1 4.340 0.020 . 2 . . . . 16 GLY HA2 . 18837 1 240 . 1 1 30 30 GLY HA3 H 1 3.776 0.020 . 2 . . . . 16 GLY HA3 . 18837 1 241 . 1 1 30 30 GLY C C 13 170.619 0.400 . 1 . . . . 16 GLY C . 18837 1 242 . 1 1 30 30 GLY CA C 13 44.644 0.400 . 1 . . . . 16 GLY CA . 18837 1 243 . 1 1 30 30 GLY N N 15 109.063 0.400 . 1 . . . . 16 GLY N . 18837 1 244 . 1 1 31 31 SER H H 1 7.875 0.020 . 1 . . . . 17 SER H . 18837 1 245 . 1 1 31 31 SER HA H 1 5.598 0.020 . 1 . . . . 17 SER HA . 18837 1 246 . 1 1 31 31 SER HB2 H 1 3.785 0.020 . 2 . . . . 17 SER HB2 . 18837 1 247 . 1 1 31 31 SER HB3 H 1 3.689 0.020 . 2 . . . . 17 SER HB3 . 18837 1 248 . 1 1 31 31 SER C C 13 173.105 0.400 . 1 . . . . 17 SER C . 18837 1 249 . 1 1 31 31 SER CA C 13 56.621 0.400 . 1 . . . . 17 SER CA . 18837 1 250 . 1 1 31 31 SER CB C 13 67.343 0.400 . 1 . . . . 17 SER CB . 18837 1 251 . 1 1 31 31 SER N N 15 109.946 0.400 . 1 . . . . 17 SER N . 18837 1 252 . 1 1 32 32 LEU H H 1 8.491 0.020 . 1 . . . . 18 LEU H . 18837 1 253 . 1 1 32 32 LEU HA H 1 4.403 0.020 . 1 . . . . 18 LEU HA . 18837 1 254 . 1 1 32 32 LEU HB2 H 1 1.272 0.020 . 2 . . . . 18 LEU HB2 . 18837 1 255 . 1 1 32 32 LEU HB3 H 1 1.272 0.020 . 2 . . . . 18 LEU HB3 . 18837 1 256 . 1 1 32 32 LEU HG H 1 1.284 0.020 . 1 . . . . 18 LEU HG . 18837 1 257 . 1 1 32 32 LEU HD11 H 1 0.783 0.020 . 2 . . . . 18 LEU HD1 . 18837 1 258 . 1 1 32 32 LEU HD12 H 1 0.783 0.020 . 2 . . . . 18 LEU HD1 . 18837 1 259 . 1 1 32 32 LEU HD13 H 1 0.783 0.020 . 2 . . . . 18 LEU HD1 . 18837 1 260 . 1 1 32 32 LEU HD21 H 1 0.674 0.020 . 2 . . . . 18 LEU HD2 . 18837 1 261 . 1 1 32 32 LEU HD22 H 1 0.674 0.020 . 2 . . . . 18 LEU HD2 . 18837 1 262 . 1 1 32 32 LEU HD23 H 1 0.674 0.020 . 2 . . . . 18 LEU HD2 . 18837 1 263 . 1 1 32 32 LEU C C 13 173.733 0.400 . 1 . . . . 18 LEU C . 18837 1 264 . 1 1 32 32 LEU CA C 13 54.447 0.400 . 1 . . . . 18 LEU CA . 18837 1 265 . 1 1 32 32 LEU CB C 13 48.353 0.400 . 1 . . . . 18 LEU CB . 18837 1 266 . 1 1 32 32 LEU CG C 13 26.797 0.400 . 1 . . . . 18 LEU CG . 18837 1 267 . 1 1 32 32 LEU CD1 C 13 24.235 0.400 . 1 . . . . 18 LEU CD1 . 18837 1 268 . 1 1 32 32 LEU N N 15 121.534 0.400 . 1 . . . . 18 LEU N . 18837 1 269 . 1 1 33 33 ARG H H 1 8.219 0.020 . 1 . . . . 19 ARG H . 18837 1 270 . 1 1 33 33 ARG HA H 1 4.882 0.020 . 1 . . . . 19 ARG HA . 18837 1 271 . 1 1 33 33 ARG HB2 H 1 1.727 0.020 . 2 . . . . 19 ARG HB2 . 18837 1 272 . 1 1 33 33 ARG HB3 H 1 1.605 0.020 . 2 . . . . 19 ARG HB3 . 18837 1 273 . 1 1 33 33 ARG HG2 H 1 1.298 0.020 . 2 . . . . 19 ARG HG2 . 18837 1 274 . 1 1 33 33 ARG HG3 H 1 1.227 0.020 . 2 . . . . 19 ARG HG3 . 18837 1 275 . 1 1 33 33 ARG HD2 H 1 2.872 0.020 . 2 . . . . 19 ARG HD2 . 18837 1 276 . 1 1 33 33 ARG HD3 H 1 2.872 0.020 . 2 . . . . 19 ARG HD3 . 18837 1 277 . 1 1 33 33 ARG C C 13 175.336 0.400 . 1 . . . . 19 ARG C . 18837 1 278 . 1 1 33 33 ARG CA C 13 54.804 0.400 . 1 . . . . 19 ARG CA . 18837 1 279 . 1 1 33 33 ARG CB C 13 32.483 0.400 . 1 . . . . 19 ARG CB . 18837 1 280 . 1 1 33 33 ARG CG C 13 27.745 0.400 . 1 . . . . 19 ARG CG . 18837 1 281 . 1 1 33 33 ARG CD C 13 43.558 0.400 . 1 . . . . 19 ARG CD . 18837 1 282 . 1 1 33 33 ARG N N 15 122.054 0.400 . 1 . . . . 19 ARG N . 18837 1 283 . 1 1 34 34 LEU H H 1 8.738 0.020 . 1 . . . . 20 LEU H . 18837 1 284 . 1 1 34 34 LEU HA H 1 5.005 0.020 . 1 . . . . 20 LEU HA . 18837 1 285 . 1 1 34 34 LEU HB2 H 1 1.184 0.020 . 2 . . . . 20 LEU HB2 . 18837 1 286 . 1 1 34 34 LEU HB3 H 1 0.925 0.020 . 2 . . . . 20 LEU HB3 . 18837 1 287 . 1 1 34 34 LEU HG H 1 1.181 0.020 . 1 . . . . 20 LEU HG . 18837 1 288 . 1 1 34 34 LEU HD11 H 1 0.249 0.020 . 2 . . . . 20 LEU HD1 . 18837 1 289 . 1 1 34 34 LEU HD12 H 1 0.249 0.020 . 2 . . . . 20 LEU HD1 . 18837 1 290 . 1 1 34 34 LEU HD13 H 1 0.249 0.020 . 2 . . . . 20 LEU HD1 . 18837 1 291 . 1 1 34 34 LEU HD21 H 1 -0.077 0.020 . 2 . . . . 20 LEU HD2 . 18837 1 292 . 1 1 34 34 LEU HD22 H 1 -0.077 0.020 . 2 . . . . 20 LEU HD2 . 18837 1 293 . 1 1 34 34 LEU HD23 H 1 -0.077 0.020 . 2 . . . . 20 LEU HD2 . 18837 1 294 . 1 1 34 34 LEU C C 13 177.093 0.400 . 1 . . . . 20 LEU C . 18837 1 295 . 1 1 34 34 LEU CA C 13 53.282 0.400 . 1 . . . . 20 LEU CA . 18837 1 296 . 1 1 34 34 LEU CB C 13 43.646 0.400 . 1 . . . . 20 LEU CB . 18837 1 297 . 1 1 34 34 LEU CG C 13 26.493 0.400 . 1 . . . . 20 LEU CG . 18837 1 298 . 1 1 34 34 LEU CD1 C 13 21.434 0.400 . 1 . . . . 20 LEU CD1 . 18837 1 299 . 1 1 34 34 LEU CD2 C 13 26.198 0.400 . 1 . . . . 20 LEU CD2 . 18837 1 300 . 1 1 34 34 LEU N N 15 127.109 0.400 . 1 . . . . 20 LEU N . 18837 1 301 . 1 1 35 35 SER H H 1 8.952 0.020 . 1 . . . . 21 SER H . 18837 1 302 . 1 1 35 35 SER HA H 1 5.088 0.020 . 1 . . . . 21 SER HA . 18837 1 303 . 1 1 35 35 SER HB3 H 1 3.707 0.020 . 2 . . . . 21 SER HB3 . 18837 1 304 . 1 1 35 35 SER C C 13 172.733 0.400 . 1 . . . . 21 SER C . 18837 1 305 . 1 1 35 35 SER CA C 13 57.080 0.400 . 1 . . . . 21 SER CA . 18837 1 306 . 1 1 35 35 SER CB C 13 66.101 0.400 . 1 . . . . 21 SER CB . 18837 1 307 . 1 1 35 35 SER N N 15 114.588 0.400 . 1 . . . . 21 SER N . 18837 1 308 . 1 1 36 36 CYS H H 1 8.992 0.020 . 1 . . . . 22 CYS H . 18837 1 309 . 1 1 36 36 CYS HA H 1 4.852 0.020 . 1 . . . . 22 CYS HA . 18837 1 310 . 1 1 36 36 CYS HB2 H 1 3.279 0.020 . 2 . . . . 22 CYS HB2 . 18837 1 311 . 1 1 36 36 CYS HB3 H 1 2.625 0.020 . 2 . . . . 22 CYS HB3 . 18837 1 312 . 1 1 36 36 CYS C C 13 171.520 0.400 . 1 . . . . 22 CYS C . 18837 1 313 . 1 1 36 36 CYS CA C 13 54.830 0.400 . 1 . . . . 22 CYS CA . 18837 1 314 . 1 1 36 36 CYS CB C 13 40.739 0.400 . 1 . . . . 22 CYS CB . 18837 1 315 . 1 1 36 36 CYS N N 15 124.780 0.400 . 1 . . . . 22 CYS N . 18837 1 316 . 1 1 37 37 ALA H H 1 8.457 0.020 . 1 . . . . 23 ALA H . 18837 1 317 . 1 1 37 37 ALA HA H 1 4.872 0.020 . 1 . . . . 23 ALA HA . 18837 1 318 . 1 1 37 37 ALA HB1 H 1 1.366 0.020 . 1 . . . . 23 ALA HB . 18837 1 319 . 1 1 37 37 ALA HB2 H 1 1.366 0.020 . 1 . . . . 23 ALA HB . 18837 1 320 . 1 1 37 37 ALA HB3 H 1 1.366 0.020 . 1 . . . . 23 ALA HB . 18837 1 321 . 1 1 37 37 ALA C C 13 176.986 0.400 . 1 . . . . 23 ALA C . 18837 1 322 . 1 1 37 37 ALA CA C 13 51.309 0.400 . 1 . . . . 23 ALA CA . 18837 1 323 . 1 1 37 37 ALA CB C 13 21.064 0.400 . 1 . . . . 23 ALA CB . 18837 1 324 . 1 1 37 37 ALA N N 15 128.841 0.400 . 1 . . . . 23 ALA N . 18837 1 325 . 1 1 38 38 ALA H H 1 8.337 0.020 . 1 . . . . 24 ALA H . 18837 1 326 . 1 1 38 38 ALA HA H 1 5.383 0.020 . 1 . . . . 24 ALA HA . 18837 1 327 . 1 1 38 38 ALA HB1 H 1 1.242 0.020 . 1 . . . . 24 ALA HB . 18837 1 328 . 1 1 38 38 ALA HB2 H 1 1.242 0.020 . 1 . . . . 24 ALA HB . 18837 1 329 . 1 1 38 38 ALA HB3 H 1 1.242 0.020 . 1 . . . . 24 ALA HB . 18837 1 330 . 1 1 38 38 ALA C C 13 177.342 0.400 . 1 . . . . 24 ALA C . 18837 1 331 . 1 1 38 38 ALA CA C 13 50.900 0.400 . 1 . . . . 24 ALA CA . 18837 1 332 . 1 1 38 38 ALA CB C 13 22.992 0.400 . 1 . . . . 24 ALA CB . 18837 1 333 . 1 1 38 38 ALA N N 15 125.923 0.400 . 1 . . . . 24 ALA N . 18837 1 334 . 1 1 39 39 SER H H 1 8.895 0.020 . 1 . . . . 25 SER H . 18837 1 335 . 1 1 39 39 SER HA H 1 4.851 0.020 . 1 . . . . 25 SER HA . 18837 1 336 . 1 1 39 39 SER C C 13 174.045 0.400 . 1 . . . . 25 SER C . 18837 1 337 . 1 1 39 39 SER CA C 13 57.723 0.400 . 1 . . . . 25 SER CA . 18837 1 338 . 1 1 39 39 SER CB C 13 65.368 0.400 . 1 . . . . 25 SER CB . 18837 1 339 . 1 1 39 39 SER N N 15 116.099 0.400 . 1 . . . . 25 SER N . 18837 1 340 . 1 1 40 40 GLY H H 1 8.848 0.020 . 1 . . . . 26 GLY H . 18837 1 341 . 1 1 40 40 GLY HA2 H 1 4.248 0.020 . 2 . . . . 26 GLY HA2 . 18837 1 342 . 1 1 40 40 GLY HA3 H 1 3.526 0.020 . 2 . . . . 26 GLY HA3 . 18837 1 343 . 1 1 40 40 GLY C C 13 171.854 0.400 . 1 . . . . 26 GLY C . 18837 1 344 . 1 1 40 40 GLY CA C 13 46.132 0.400 . 1 . . . . 26 GLY CA . 18837 1 345 . 1 1 40 40 GLY N N 15 111.907 0.400 . 1 . . . . 26 GLY N . 18837 1 346 . 1 1 41 41 LEU H H 1 7.461 0.020 . 1 . . . . 27 LEU H . 18837 1 347 . 1 1 41 41 LEU HA H 1 4.539 0.020 . 1 . . . . 27 LEU HA . 18837 1 348 . 1 1 41 41 LEU HB2 H 1 1.770 0.020 . 2 . . . . 27 LEU HB2 . 18837 1 349 . 1 1 41 41 LEU HB3 H 1 1.518 0.020 . 2 . . . . 27 LEU HB3 . 18837 1 350 . 1 1 41 41 LEU HD11 H 1 0.901 0.020 . 2 . . . . 27 LEU HD1 . 18837 1 351 . 1 1 41 41 LEU HD12 H 1 0.901 0.020 . 2 . . . . 27 LEU HD1 . 18837 1 352 . 1 1 41 41 LEU HD13 H 1 0.901 0.020 . 2 . . . . 27 LEU HD1 . 18837 1 353 . 1 1 41 41 LEU HD21 H 1 0.652 0.020 . 2 . . . . 27 LEU HD2 . 18837 1 354 . 1 1 41 41 LEU HD22 H 1 0.652 0.020 . 2 . . . . 27 LEU HD2 . 18837 1 355 . 1 1 41 41 LEU HD23 H 1 0.652 0.020 . 2 . . . . 27 LEU HD2 . 18837 1 356 . 1 1 41 41 LEU CA C 13 54.011 0.400 . 1 . . . . 27 LEU CA . 18837 1 357 . 1 1 41 41 LEU CB C 13 43.870 0.400 . 1 . . . . 27 LEU CB . 18837 1 358 . 1 1 41 41 LEU CD1 C 13 28.238 0.400 . 1 . . . . 27 LEU CD1 . 18837 1 359 . 1 1 41 41 LEU CD2 C 13 26.706 0.400 . 1 . . . . 27 LEU CD2 . 18837 1 360 . 1 1 41 41 LEU N N 15 114.032 0.400 . 1 . . . . 27 LEU N . 18837 1 361 . 1 1 42 42 ARG C C 13 176.285 0.400 . 1 . . . . 28 ARG C . 18837 1 362 . 1 1 42 42 ARG CA C 13 54.744 0.400 . 1 . . . . 28 ARG CA . 18837 1 363 . 1 1 42 42 ARG CB C 13 29.643 0.400 . 1 . . . . 28 ARG CB . 18837 1 364 . 1 1 43 43 ILE H H 1 8.946 0.020 . 1 . . . . 29 ILE H . 18837 1 365 . 1 1 43 43 ILE HA H 1 3.500 0.020 . 1 . . . . 29 ILE HA . 18837 1 366 . 1 1 43 43 ILE HB H 1 1.231 0.020 . 1 . . . . 29 ILE HB . 18837 1 367 . 1 1 43 43 ILE HG12 H 1 1.192 0.020 . 2 . . . . 29 ILE HG12 . 18837 1 368 . 1 1 43 43 ILE HG13 H 1 1.092 0.020 . 2 . . . . 29 ILE HG13 . 18837 1 369 . 1 1 43 43 ILE HG21 H 1 0.618 0.020 . 1 . . . . 29 ILE HG2 . 18837 1 370 . 1 1 43 43 ILE HG22 H 1 0.618 0.020 . 1 . . . . 29 ILE HG2 . 18837 1 371 . 1 1 43 43 ILE HG23 H 1 0.618 0.020 . 1 . . . . 29 ILE HG2 . 18837 1 372 . 1 1 43 43 ILE HD11 H 1 0.546 0.020 . 1 . . . . 29 ILE HD1 . 18837 1 373 . 1 1 43 43 ILE HD12 H 1 0.546 0.020 . 1 . . . . 29 ILE HD1 . 18837 1 374 . 1 1 43 43 ILE HD13 H 1 0.546 0.020 . 1 . . . . 29 ILE HD1 . 18837 1 375 . 1 1 43 43 ILE C C 13 176.366 0.400 . 1 . . . . 29 ILE C . 18837 1 376 . 1 1 43 43 ILE CA C 13 65.820 0.400 . 1 . . . . 29 ILE CA . 18837 1 377 . 1 1 43 43 ILE CB C 13 39.226 0.400 . 1 . . . . 29 ILE CB . 18837 1 378 . 1 1 43 43 ILE CG1 C 13 30.600 0.400 . 1 . . . . 29 ILE CG1 . 18837 1 379 . 1 1 43 43 ILE CG2 C 13 16.346 0.400 . 1 . . . . 29 ILE CG2 . 18837 1 380 . 1 1 43 43 ILE CD1 C 13 14.645 0.400 . 1 . . . . 29 ILE CD1 . 18837 1 381 . 1 1 43 43 ILE N N 15 129.739 0.400 . 1 . . . . 29 ILE N . 18837 1 382 . 1 1 44 44 SER H H 1 8.173 0.020 . 1 . . . . 30 SER H . 18837 1 383 . 1 1 44 44 SER HA H 1 4.290 0.020 . 1 . . . . 30 SER HA . 18837 1 384 . 1 1 44 44 SER HB2 H 1 4.052 0.020 . 2 . . . . 30 SER HB2 . 18837 1 385 . 1 1 44 44 SER HB3 H 1 4.052 0.020 . 2 . . . . 30 SER HB3 . 18837 1 386 . 1 1 44 44 SER C C 13 175.637 0.400 . 1 . . . . 30 SER C . 18837 1 387 . 1 1 44 44 SER CA C 13 60.104 0.400 . 1 . . . . 30 SER CA . 18837 1 388 . 1 1 44 44 SER CB C 13 63.088 0.400 . 1 . . . . 30 SER CB . 18837 1 389 . 1 1 44 44 SER N N 15 115.000 0.400 . 1 . . . . 30 SER N . 18837 1 390 . 1 1 45 45 GLU H H 1 7.563 0.020 . 1 . . . . 31 GLU H . 18837 1 391 . 1 1 45 45 GLU HA H 1 4.524 0.020 . 1 . . . . 31 GLU HA . 18837 1 392 . 1 1 45 45 GLU HB2 H 1 2.360 0.020 . 2 . . . . 31 GLU HB2 . 18837 1 393 . 1 1 45 45 GLU HB3 H 1 1.979 0.020 . 2 . . . . 31 GLU HB3 . 18837 1 394 . 1 1 45 45 GLU HG2 H 1 2.279 0.020 . 2 . . . . 31 GLU HG2 . 18837 1 395 . 1 1 45 45 GLU HG3 H 1 2.174 0.020 . 2 . . . . 31 GLU HG3 . 18837 1 396 . 1 1 45 45 GLU C C 13 175.378 0.400 . 1 . . . . 31 GLU C . 18837 1 397 . 1 1 45 45 GLU CA C 13 55.739 0.400 . 1 . . . . 31 GLU CA . 18837 1 398 . 1 1 45 45 GLU CB C 13 30.027 0.400 . 1 . . . . 31 GLU CB . 18837 1 399 . 1 1 45 45 GLU CG C 13 36.971 0.400 . 1 . . . . 31 GLU CG . 18837 1 400 . 1 1 45 45 GLU N N 15 118.571 0.400 . 1 . . . . 31 GLU N . 18837 1 401 . 1 1 46 46 CYS H H 1 7.413 0.020 . 1 . . . . 32 CYS H . 18837 1 402 . 1 1 46 46 CYS HA H 1 4.800 0.020 . 1 . . . . 32 CYS HA . 18837 1 403 . 1 1 46 46 CYS HB2 H 1 2.996 0.020 . 2 . . . . 32 CYS HB2 . 18837 1 404 . 1 1 46 46 CYS HB3 H 1 2.996 0.020 . 2 . . . . 32 CYS HB3 . 18837 1 405 . 1 1 46 46 CYS C C 13 173.808 0.400 . 1 . . . . 32 CYS C . 18837 1 406 . 1 1 46 46 CYS CA C 13 55.526 0.400 . 1 . . . . 32 CYS CA . 18837 1 407 . 1 1 46 46 CYS CB C 13 49.509 0.400 . 1 . . . . 32 CYS CB . 18837 1 408 . 1 1 46 46 CYS N N 15 116.800 0.400 . 1 . . . . 32 CYS N . 18837 1 409 . 1 1 47 47 THR H H 1 8.950 0.020 . 1 . . . . 33 THR H . 18837 1 410 . 1 1 47 47 THR HA H 1 4.934 0.020 . 1 . . . . 33 THR HA . 18837 1 411 . 1 1 47 47 THR HB H 1 3.868 0.020 . 1 . . . . 33 THR HB . 18837 1 412 . 1 1 47 47 THR HG21 H 1 0.956 0.020 . 1 . . . . 33 THR HG2 . 18837 1 413 . 1 1 47 47 THR HG22 H 1 0.956 0.020 . 1 . . . . 33 THR HG2 . 18837 1 414 . 1 1 47 47 THR HG23 H 1 0.956 0.020 . 1 . . . . 33 THR HG2 . 18837 1 415 . 1 1 47 47 THR C C 13 174.622 0.400 . 1 . . . . 33 THR C . 18837 1 416 . 1 1 47 47 THR CA C 13 63.068 0.400 . 1 . . . . 33 THR CA . 18837 1 417 . 1 1 47 47 THR CB C 13 70.018 0.400 . 1 . . . . 33 THR CB . 18837 1 418 . 1 1 47 47 THR CG2 C 13 21.277 0.400 . 1 . . . . 33 THR CG2 . 18837 1 419 . 1 1 47 47 THR N N 15 116.729 0.400 . 1 . . . . 33 THR N . 18837 1 420 . 1 1 48 48 THR H H 1 8.871 0.020 . 1 . . . . 34 THR H . 18837 1 421 . 1 1 48 48 THR HA H 1 5.102 0.020 . 1 . . . . 34 THR HA . 18837 1 422 . 1 1 48 48 THR HB H 1 3.791 0.020 . 1 . . . . 34 THR HB . 18837 1 423 . 1 1 48 48 THR HG21 H 1 0.892 0.020 . 1 . . . . 34 THR HG2 . 18837 1 424 . 1 1 48 48 THR HG22 H 1 0.892 0.020 . 1 . . . . 34 THR HG2 . 18837 1 425 . 1 1 48 48 THR HG23 H 1 0.892 0.020 . 1 . . . . 34 THR HG2 . 18837 1 426 . 1 1 48 48 THR C C 13 173.670 0.400 . 1 . . . . 34 THR C . 18837 1 427 . 1 1 48 48 THR CA C 13 62.001 0.400 . 1 . . . . 34 THR CA . 18837 1 428 . 1 1 48 48 THR CB C 13 69.233 0.400 . 1 . . . . 34 THR CB . 18837 1 429 . 1 1 48 48 THR CG2 C 13 21.826 0.400 . 1 . . . . 34 THR CG2 . 18837 1 430 . 1 1 48 48 THR N N 15 126.678 0.400 . 1 . . . . 34 THR N . 18837 1 431 . 1 1 49 49 GLY H H 1 9.132 0.020 . 1 . . . . 35 GLY H . 18837 1 432 . 1 1 49 49 GLY HA2 H 1 5.120 0.020 . 2 . . . . 35 GLY HA2 . 18837 1 433 . 1 1 49 49 GLY HA3 H 1 3.431 0.020 . 2 . . . . 35 GLY HA3 . 18837 1 434 . 1 1 49 49 GLY C C 13 171.923 0.400 . 1 . . . . 35 GLY C . 18837 1 435 . 1 1 49 49 GLY CA C 13 43.658 0.400 . 1 . . . . 35 GLY CA . 18837 1 436 . 1 1 49 49 GLY N N 15 114.801 0.400 . 1 . . . . 35 GLY N . 18837 1 437 . 1 1 50 50 TRP H H 1 8.901 0.020 . 1 . . . . 36 TRP H . 18837 1 438 . 1 1 50 50 TRP HA H 1 5.729 0.020 . 1 . . . . 36 TRP HA . 18837 1 439 . 1 1 50 50 TRP HB2 H 1 3.151 0.020 . 2 . . . . 36 TRP HB2 . 18837 1 440 . 1 1 50 50 TRP HB3 H 1 2.937 0.020 . 2 . . . . 36 TRP HB3 . 18837 1 441 . 1 1 50 50 TRP HD1 H 1 6.986 0.020 . 1 . . . . 36 TRP HD1 . 18837 1 442 . 1 1 50 50 TRP HE1 H 1 7.525 0.020 . 1 . . . . 36 TRP HE1 . 18837 1 443 . 1 1 50 50 TRP HE3 H 1 7.754 0.020 . 1 . . . . 36 TRP HE3 . 18837 1 444 . 1 1 50 50 TRP HZ3 H 1 6.922 0.020 . 1 . . . . 36 TRP HZ3 . 18837 1 445 . 1 1 50 50 TRP HH2 H 1 7.037 0.020 . 1 . . . . 36 TRP HH2 . 18837 1 446 . 1 1 50 50 TRP C C 13 175.339 0.400 . 1 . . . . 36 TRP C . 18837 1 447 . 1 1 50 50 TRP CA C 13 56.078 0.400 . 1 . . . . 36 TRP CA . 18837 1 448 . 1 1 50 50 TRP CB C 13 32.608 0.400 . 1 . . . . 36 TRP CB . 18837 1 449 . 1 1 50 50 TRP N N 15 118.971 0.400 . 1 . . . . 36 TRP N . 18837 1 450 . 1 1 50 50 TRP NE1 N 15 120.143 0.400 . 1 . . . . 36 TRP NE1 . 18837 1 451 . 1 1 51 51 TYR H H 1 10.451 0.020 . 1 . . . . 37 TYR H . 18837 1 452 . 1 1 51 51 TYR HA H 1 5.683 0.020 . 1 . . . . 37 TYR HA . 18837 1 453 . 1 1 51 51 TYR HB2 H 1 3.134 0.020 . 2 . . . . 37 TYR HB2 . 18837 1 454 . 1 1 51 51 TYR HB3 H 1 2.909 0.020 . 2 . . . . 37 TYR HB3 . 18837 1 455 . 1 1 51 51 TYR HD1 H 1 6.853 0.020 . 1 . . . . 37 TYR HD1 . 18837 1 456 . 1 1 51 51 TYR HD2 H 1 6.853 0.020 . 1 . . . . 37 TYR HD2 . 18837 1 457 . 1 1 51 51 TYR HE1 H 1 6.625 0.020 . 1 . . . . 37 TYR HE1 . 18837 1 458 . 1 1 51 51 TYR HE2 H 1 6.625 0.020 . 1 . . . . 37 TYR HE2 . 18837 1 459 . 1 1 51 51 TYR C C 13 175.161 0.400 . 1 . . . . 37 TYR C . 18837 1 460 . 1 1 51 51 TYR CA C 13 56.218 0.400 . 1 . . . . 37 TYR CA . 18837 1 461 . 1 1 51 51 TYR CB C 13 43.688 0.400 . 1 . . . . 37 TYR CB . 18837 1 462 . 1 1 51 51 TYR N N 15 123.638 0.400 . 1 . . . . 37 TYR N . 18837 1 463 . 1 1 52 52 ARG H H 1 9.695 0.020 . 1 . . . . 38 ARG H . 18837 1 464 . 1 1 52 52 ARG HA H 1 5.785 0.020 . 1 . . . . 38 ARG HA . 18837 1 465 . 1 1 52 52 ARG HB2 H 1 0.929 0.020 . 2 . . . . 38 ARG HB2 . 18837 1 466 . 1 1 52 52 ARG HB3 H 1 0.863 0.020 . 2 . . . . 38 ARG HB3 . 18837 1 467 . 1 1 52 52 ARG HG2 H 1 1.479 0.020 . 2 . . . . 38 ARG HG2 . 18837 1 468 . 1 1 52 52 ARG HG3 H 1 1.479 0.020 . 2 . . . . 38 ARG HG3 . 18837 1 469 . 1 1 52 52 ARG HD2 H 1 2.848 0.020 . 2 . . . . 38 ARG HD2 . 18837 1 470 . 1 1 52 52 ARG HD3 H 1 2.743 0.020 . 2 . . . . 38 ARG HD3 . 18837 1 471 . 1 1 52 52 ARG C C 13 174.196 0.400 . 1 . . . . 38 ARG C . 18837 1 472 . 1 1 52 52 ARG CA C 13 53.640 0.400 . 1 . . . . 38 ARG CA . 18837 1 473 . 1 1 52 52 ARG CB C 13 33.034 0.400 . 1 . . . . 38 ARG CB . 18837 1 474 . 1 1 52 52 ARG CG C 13 24.612 0.400 . 1 . . . . 38 ARG CG . 18837 1 475 . 1 1 52 52 ARG CD C 13 45.270 0.400 . 1 . . . . 38 ARG CD . 18837 1 476 . 1 1 52 52 ARG N N 15 116.760 0.400 . 1 . . . . 38 ARG N . 18837 1 477 . 1 1 53 53 GLN H H 1 9.448 0.020 . 1 . . . . 39 GLN H . 18837 1 478 . 1 1 53 53 GLN HA H 1 4.878 0.020 . 1 . . . . 39 GLN HA . 18837 1 479 . 1 1 53 53 GLN HB2 H 1 2.338 0.020 . 2 . . . . 39 GLN HB2 . 18837 1 480 . 1 1 53 53 GLN HB3 H 1 2.171 0.020 . 2 . . . . 39 GLN HB3 . 18837 1 481 . 1 1 53 53 GLN HG2 H 1 2.377 0.020 . 2 . . . . 39 GLN HG2 . 18837 1 482 . 1 1 53 53 GLN HG3 H 1 2.377 0.020 . 2 . . . . 39 GLN HG3 . 18837 1 483 . 1 1 53 53 GLN HE21 H 1 7.771 0.020 . 2 . . . . 39 GLN HE21 . 18837 1 484 . 1 1 53 53 GLN HE22 H 1 6.793 0.020 . 2 . . . . 39 GLN HE22 . 18837 1 485 . 1 1 53 53 GLN C C 13 174.448 0.400 . 1 . . . . 39 GLN C . 18837 1 486 . 1 1 53 53 GLN CA C 13 55.243 0.400 . 1 . . . . 39 GLN CA . 18837 1 487 . 1 1 53 53 GLN CB C 13 33.077 0.400 . 1 . . . . 39 GLN CB . 18837 1 488 . 1 1 53 53 GLN N N 15 122.874 0.400 . 1 . . . . 39 GLN N . 18837 1 489 . 1 1 53 53 GLN NE2 N 15 112.070 0.400 . 1 . . . . 39 GLN NE2 . 18837 1 490 . 1 1 54 54 ALA H H 1 9.376 0.020 . 1 . . . . 40 ALA H . 18837 1 491 . 1 1 54 54 ALA HA H 1 4.860 0.020 . 1 . . . . 40 ALA HA . 18837 1 492 . 1 1 54 54 ALA HB1 H 1 1.472 0.020 . 1 . . . . 40 ALA HB . 18837 1 493 . 1 1 54 54 ALA HB2 H 1 1.472 0.020 . 1 . . . . 40 ALA HB . 18837 1 494 . 1 1 54 54 ALA HB3 H 1 1.472 0.020 . 1 . . . . 40 ALA HB . 18837 1 495 . 1 1 54 54 ALA CA C 13 50.076 0.400 . 1 . . . . 40 ALA CA . 18837 1 496 . 1 1 54 54 ALA CB C 13 18.434 0.400 . 1 . . . . 40 ALA CB . 18837 1 497 . 1 1 54 54 ALA N N 15 136.529 0.400 . 1 . . . . 40 ALA N . 18837 1 498 . 1 1 55 55 PRO HA H 1 4.331 0.020 . 1 . . . . 41 PRO HA . 18837 1 499 . 1 1 55 55 PRO HB2 H 1 2.304 0.020 . 2 . . . . 41 PRO HB2 . 18837 1 500 . 1 1 55 55 PRO HB3 H 1 1.925 0.020 . 2 . . . . 41 PRO HB3 . 18837 1 501 . 1 1 55 55 PRO HG2 H 1 2.173 0.020 . 2 . . . . 41 PRO HG2 . 18837 1 502 . 1 1 55 55 PRO HG3 H 1 2.023 0.020 . 2 . . . . 41 PRO HG3 . 18837 1 503 . 1 1 55 55 PRO HD2 H 1 3.880 0.020 . 2 . . . . 41 PRO HD2 . 18837 1 504 . 1 1 55 55 PRO HD3 H 1 3.657 0.020 . 2 . . . . 41 PRO HD3 . 18837 1 505 . 1 1 55 55 PRO C C 13 178.338 0.400 . 1 . . . . 41 PRO C . 18837 1 506 . 1 1 55 55 PRO CA C 13 64.447 0.400 . 1 . . . . 41 PRO CA . 18837 1 507 . 1 1 55 55 PRO CB C 13 31.670 0.400 . 1 . . . . 41 PRO CB . 18837 1 508 . 1 1 55 55 PRO CG C 13 28.142 0.400 . 1 . . . . 41 PRO CG . 18837 1 509 . 1 1 55 55 PRO CD C 13 50.466 0.400 . 1 . . . . 41 PRO CD . 18837 1 510 . 1 1 56 56 GLY H H 1 8.717 0.020 . 1 . . . . 42 GLY H . 18837 1 511 . 1 1 56 56 GLY HA2 H 1 4.131 0.020 . 2 . . . . 42 GLY HA2 . 18837 1 512 . 1 1 56 56 GLY HA3 H 1 3.753 0.020 . 2 . . . . 42 GLY HA3 . 18837 1 513 . 1 1 56 56 GLY C C 13 174.005 0.400 . 1 . . . . 42 GLY C . 18837 1 514 . 1 1 56 56 GLY CA C 13 45.864 0.400 . 1 . . . . 42 GLY CA . 18837 1 515 . 1 1 56 56 GLY N N 15 112.646 0.400 . 1 . . . . 42 GLY N . 18837 1 516 . 1 1 57 57 LYS H H 1 7.980 0.020 . 1 . . . . 43 LYS H . 18837 1 517 . 1 1 57 57 LYS HA H 1 4.798 0.020 . 1 . . . . 43 LYS HA . 18837 1 518 . 1 1 57 57 LYS HB2 H 1 2.051 0.020 . 2 . . . . 43 LYS HB2 . 18837 1 519 . 1 1 57 57 LYS HB3 H 1 1.960 0.020 . 2 . . . . 43 LYS HB3 . 18837 1 520 . 1 1 57 57 LYS HG2 H 1 1.455 0.020 . 2 . . . . 43 LYS HG2 . 18837 1 521 . 1 1 57 57 LYS HG3 H 1 1.336 0.020 . 2 . . . . 43 LYS HG3 . 18837 1 522 . 1 1 57 57 LYS HD2 H 1 1.700 0.020 . 2 . . . . 43 LYS HD2 . 18837 1 523 . 1 1 57 57 LYS HD3 H 1 1.700 0.020 . 2 . . . . 43 LYS HD3 . 18837 1 524 . 1 1 57 57 LYS HE2 H 1 3.025 0.020 . 2 . . . . 43 LYS HE2 . 18837 1 525 . 1 1 57 57 LYS HE3 H 1 3.025 0.020 . 2 . . . . 43 LYS HE3 . 18837 1 526 . 1 1 57 57 LYS C C 13 176.147 0.400 . 1 . . . . 43 LYS C . 18837 1 527 . 1 1 57 57 LYS CA C 13 54.337 0.400 . 1 . . . . 43 LYS CA . 18837 1 528 . 1 1 57 57 LYS CB C 13 35.504 0.400 . 1 . . . . 43 LYS CB . 18837 1 529 . 1 1 57 57 LYS CG C 13 25.020 0.400 . 1 . . . . 43 LYS CG . 18837 1 530 . 1 1 57 57 LYS CD C 13 28.806 0.400 . 1 . . . . 43 LYS CD . 18837 1 531 . 1 1 57 57 LYS CE C 13 42.252 0.400 . 1 . . . . 43 LYS CE . 18837 1 532 . 1 1 57 57 LYS N N 15 119.936 0.400 . 1 . . . . 43 LYS N . 18837 1 533 . 1 1 58 58 GLU H H 1 8.323 0.020 . 1 . . . . 44 GLU H . 18837 1 534 . 1 1 58 58 GLU HA H 1 4.363 0.020 . 1 . . . . 44 GLU HA . 18837 1 535 . 1 1 58 58 GLU HB2 H 1 2.106 0.020 . 2 . . . . 44 GLU HB2 . 18837 1 536 . 1 1 58 58 GLU HB3 H 1 1.962 0.020 . 2 . . . . 44 GLU HB3 . 18837 1 537 . 1 1 58 58 GLU HG2 H 1 2.370 0.020 . 2 . . . . 44 GLU HG2 . 18837 1 538 . 1 1 58 58 GLU HG3 H 1 2.355 0.020 . 2 . . . . 44 GLU HG3 . 18837 1 539 . 1 1 58 58 GLU C C 13 176.914 0.400 . 1 . . . . 44 GLU C . 18837 1 540 . 1 1 58 58 GLU CA C 13 55.792 0.400 . 1 . . . . 44 GLU CA . 18837 1 541 . 1 1 58 58 GLU CB C 13 30.706 0.400 . 1 . . . . 44 GLU CB . 18837 1 542 . 1 1 58 58 GLU CG C 13 36.544 0.400 . 1 . . . . 44 GLU CG . 18837 1 543 . 1 1 58 58 GLU N N 15 118.862 0.400 . 1 . . . . 44 GLU N . 18837 1 544 . 1 1 59 59 ARG H H 1 8.779 0.020 . 1 . . . . 45 ARG H . 18837 1 545 . 1 1 59 59 ARG HA H 1 4.549 0.020 . 1 . . . . 45 ARG HA . 18837 1 546 . 1 1 59 59 ARG HB2 H 1 1.729 0.020 . 2 . . . . 45 ARG HB2 . 18837 1 547 . 1 1 59 59 ARG HB3 H 1 1.643 0.020 . 2 . . . . 45 ARG HB3 . 18837 1 548 . 1 1 59 59 ARG HG2 H 1 1.583 0.020 . 2 . . . . 45 ARG HG2 . 18837 1 549 . 1 1 59 59 ARG HG3 H 1 1.504 0.020 . 2 . . . . 45 ARG HG3 . 18837 1 550 . 1 1 59 59 ARG HD2 H 1 2.455 0.020 . 2 . . . . 45 ARG HD2 . 18837 1 551 . 1 1 59 59 ARG HD3 H 1 2.367 0.020 . 2 . . . . 45 ARG HD3 . 18837 1 552 . 1 1 59 59 ARG C C 13 175.628 0.400 . 1 . . . . 45 ARG C . 18837 1 553 . 1 1 59 59 ARG CA C 13 57.360 0.400 . 1 . . . . 45 ARG CA . 18837 1 554 . 1 1 59 59 ARG CB C 13 30.740 0.400 . 1 . . . . 45 ARG CB . 18837 1 555 . 1 1 59 59 ARG CG C 13 27.500 0.400 . 1 . . . . 45 ARG CG . 18837 1 556 . 1 1 59 59 ARG CD C 13 43.440 0.400 . 1 . . . . 45 ARG CD . 18837 1 557 . 1 1 59 59 ARG N N 15 122.703 0.400 . 1 . . . . 45 ARG N . 18837 1 558 . 1 1 60 60 GLU H H 1 9.430 0.020 . 1 . . . . 46 GLU H . 18837 1 559 . 1 1 60 60 GLU HA H 1 5.008 0.020 . 1 . . . . 46 GLU HA . 18837 1 560 . 1 1 60 60 GLU HB2 H 1 2.150 0.020 . 2 . . . . 46 GLU HB2 . 18837 1 561 . 1 1 60 60 GLU HB3 H 1 2.084 0.020 . 2 . . . . 46 GLU HB3 . 18837 1 562 . 1 1 60 60 GLU HG2 H 1 2.301 0.020 . 2 . . . . 46 GLU HG2 . 18837 1 563 . 1 1 60 60 GLU HG3 H 1 2.301 0.020 . 2 . . . . 46 GLU HG3 . 18837 1 564 . 1 1 60 60 GLU C C 13 175.145 0.400 . 1 . . . . 46 GLU C . 18837 1 565 . 1 1 60 60 GLU CA C 13 54.327 0.400 . 1 . . . . 46 GLU CA . 18837 1 566 . 1 1 60 60 GLU CB C 13 33.528 0.400 . 1 . . . . 46 GLU CB . 18837 1 567 . 1 1 60 60 GLU CG C 13 35.641 0.400 . 1 . . . . 46 GLU CG . 18837 1 568 . 1 1 60 60 GLU N N 15 125.168 0.400 . 1 . . . . 46 GLU N . 18837 1 569 . 1 1 61 61 LEU H H 1 8.893 0.020 . 1 . . . . 47 LEU H . 18837 1 570 . 1 1 61 61 LEU HA H 1 3.729 0.020 . 1 . . . . 47 LEU HA . 18837 1 571 . 1 1 61 61 LEU HB2 H 1 1.712 0.020 . 2 . . . . 47 LEU HB2 . 18837 1 572 . 1 1 61 61 LEU HB3 H 1 1.200 0.020 . 2 . . . . 47 LEU HB3 . 18837 1 573 . 1 1 61 61 LEU HG H 1 1.321 0.020 . 1 . . . . 47 LEU HG . 18837 1 574 . 1 1 61 61 LEU HD11 H 1 0.366 0.020 . 2 . . . . 47 LEU HD1 . 18837 1 575 . 1 1 61 61 LEU HD12 H 1 0.366 0.020 . 2 . . . . 47 LEU HD1 . 18837 1 576 . 1 1 61 61 LEU HD13 H 1 0.366 0.020 . 2 . . . . 47 LEU HD1 . 18837 1 577 . 1 1 61 61 LEU HD21 H 1 0.272 0.020 . 2 . . . . 47 LEU HD2 . 18837 1 578 . 1 1 61 61 LEU HD22 H 1 0.272 0.020 . 2 . . . . 47 LEU HD2 . 18837 1 579 . 1 1 61 61 LEU HD23 H 1 0.272 0.020 . 2 . . . . 47 LEU HD2 . 18837 1 580 . 1 1 61 61 LEU C C 13 176.571 0.400 . 1 . . . . 47 LEU C . 18837 1 581 . 1 1 61 61 LEU CA C 13 55.916 0.400 . 1 . . . . 47 LEU CA . 18837 1 582 . 1 1 61 61 LEU CB C 13 41.889 0.400 . 1 . . . . 47 LEU CB . 18837 1 583 . 1 1 61 61 LEU CG C 13 26.919 0.400 . 1 . . . . 47 LEU CG . 18837 1 584 . 1 1 61 61 LEU CD1 C 13 26.984 0.400 . 1 . . . . 47 LEU CD1 . 18837 1 585 . 1 1 61 61 LEU CD2 C 13 21.846 0.400 . 1 . . . . 47 LEU CD2 . 18837 1 586 . 1 1 61 61 LEU N N 15 127.640 0.400 . 1 . . . . 47 LEU N . 18837 1 587 . 1 1 62 62 VAL H H 1 9.427 0.020 . 1 . . . . 48 VAL H . 18837 1 588 . 1 1 62 62 VAL HA H 1 4.616 0.020 . 1 . . . . 48 VAL HA . 18837 1 589 . 1 1 62 62 VAL HB H 1 2.247 0.020 . 1 . . . . 48 VAL HB . 18837 1 590 . 1 1 62 62 VAL HG11 H 1 1.137 0.020 . 2 . . . . 48 VAL HG1 . 18837 1 591 . 1 1 62 62 VAL HG12 H 1 1.137 0.020 . 2 . . . . 48 VAL HG1 . 18837 1 592 . 1 1 62 62 VAL HG13 H 1 1.137 0.020 . 2 . . . . 48 VAL HG1 . 18837 1 593 . 1 1 62 62 VAL HG21 H 1 1.145 0.020 . 2 . . . . 48 VAL HG2 . 18837 1 594 . 1 1 62 62 VAL HG22 H 1 1.145 0.020 . 2 . . . . 48 VAL HG2 . 18837 1 595 . 1 1 62 62 VAL HG23 H 1 1.145 0.020 . 2 . . . . 48 VAL HG2 . 18837 1 596 . 1 1 62 62 VAL CA C 13 62.204 0.400 . 1 . . . . 48 VAL CA . 18837 1 597 . 1 1 62 62 VAL CB C 13 33.930 0.400 . 1 . . . . 48 VAL CB . 18837 1 598 . 1 1 62 62 VAL CG1 C 13 21.042 0.400 . 1 . . . . 48 VAL CG1 . 18837 1 599 . 1 1 62 62 VAL N N 15 121.980 0.400 . 1 . . . . 48 VAL N . 18837 1 600 . 1 1 63 63 SER H H 1 7.898 0.020 . 1 . . . . 49 SER H . 18837 1 601 . 1 1 63 63 SER HA H 1 5.562 0.020 . 1 . . . . 49 SER HA . 18837 1 602 . 1 1 63 63 SER HB2 H 1 4.063 0.020 . 2 . . . . 49 SER HB2 . 18837 1 603 . 1 1 63 63 SER HB3 H 1 3.595 0.020 . 2 . . . . 49 SER HB3 . 18837 1 604 . 1 1 63 63 SER C C 13 175.083 0.400 . 1 . . . . 49 SER C . 18837 1 605 . 1 1 63 63 SER CA C 13 57.132 0.400 . 1 . . . . 49 SER CA . 18837 1 606 . 1 1 63 63 SER CB C 13 66.261 0.400 . 1 . . . . 49 SER CB . 18837 1 607 . 1 1 63 63 SER N N 15 112.426 0.400 . 1 . . . . 49 SER N . 18837 1 608 . 1 1 64 64 LYS H H 1 8.734 0.020 . 1 . . . . 50 LYS H . 18837 1 609 . 1 1 64 64 LYS HA H 1 5.562 0.020 . 1 . . . . 50 LYS HA . 18837 1 610 . 1 1 64 64 LYS HB2 H 1 1.723 0.020 . 2 . . . . 50 LYS HB2 . 18837 1 611 . 1 1 64 64 LYS HB3 H 1 1.616 0.020 . 2 . . . . 50 LYS HB3 . 18837 1 612 . 1 1 64 64 LYS HG2 H 1 1.322 0.020 . 2 . . . . 50 LYS HG2 . 18837 1 613 . 1 1 64 64 LYS HG3 H 1 1.322 0.020 . 2 . . . . 50 LYS HG3 . 18837 1 614 . 1 1 64 64 LYS HD2 H 1 1.321 0.020 . 2 . . . . 50 LYS HD2 . 18837 1 615 . 1 1 64 64 LYS HD3 H 1 1.321 0.020 . 2 . . . . 50 LYS HD3 . 18837 1 616 . 1 1 64 64 LYS HE2 H 1 2.510 0.020 . 2 . . . . 50 LYS HE2 . 18837 1 617 . 1 1 64 64 LYS HE3 H 1 2.258 0.020 . 2 . . . . 50 LYS HE3 . 18837 1 618 . 1 1 64 64 LYS C C 13 173.369 0.400 . 1 . . . . 50 LYS C . 18837 1 619 . 1 1 64 64 LYS CA C 13 55.814 0.400 . 1 . . . . 50 LYS CA . 18837 1 620 . 1 1 64 64 LYS CB C 13 37.970 0.400 . 1 . . . . 50 LYS CB . 18837 1 621 . 1 1 64 64 LYS CD C 13 29.545 0.400 . 1 . . . . 50 LYS CD . 18837 1 622 . 1 1 64 64 LYS CE C 13 41.421 0.400 . 1 . . . . 50 LYS CE . 18837 1 623 . 1 1 64 64 LYS N N 15 122.015 0.400 . 1 . . . . 50 LYS N . 18837 1 624 . 1 1 65 65 PHE H H 1 9.236 0.020 . 1 . . . . 51 PHE H . 18837 1 625 . 1 1 65 65 PHE HA H 1 4.954 0.020 . 1 . . . . 51 PHE HA . 18837 1 626 . 1 1 65 65 PHE HB2 H 1 3.306 0.020 . 2 . . . . 51 PHE HB2 . 18837 1 627 . 1 1 65 65 PHE HB3 H 1 2.657 0.020 . 2 . . . . 51 PHE HB3 . 18837 1 628 . 1 1 65 65 PHE HD1 H 1 7.119 0.020 . 1 . . . . 51 PHE HD1 . 18837 1 629 . 1 1 65 65 PHE HD2 H 1 7.119 0.020 . 1 . . . . 51 PHE HD2 . 18837 1 630 . 1 1 65 65 PHE HE1 H 1 7.342 0.020 . 1 . . . . 51 PHE HE1 . 18837 1 631 . 1 1 65 65 PHE HE2 H 1 7.342 0.020 . 1 . . . . 51 PHE HE2 . 18837 1 632 . 1 1 65 65 PHE C C 13 175.656 0.400 . 1 . . . . 51 PHE C . 18837 1 633 . 1 1 65 65 PHE CA C 13 56.980 0.400 . 1 . . . . 51 PHE CA . 18837 1 634 . 1 1 65 65 PHE CB C 13 42.049 0.400 . 1 . . . . 51 PHE CB . 18837 1 635 . 1 1 65 65 PHE N N 15 124.905 0.400 . 1 . . . . 51 PHE N . 18837 1 636 . 1 1 66 66 SER H H 1 8.866 0.020 . 1 . . . . 52 SER H . 18837 1 637 . 1 1 66 66 SER HA H 1 4.930 0.020 . 1 . . . . 52 SER HA . 18837 1 638 . 1 1 66 66 SER HB2 H 1 4.156 0.020 . 2 . . . . 52 SER HB2 . 18837 1 639 . 1 1 66 66 SER HB3 H 1 4.156 0.020 . 2 . . . . 52 SER HB3 . 18837 1 640 . 1 1 66 66 SER C C 13 174.933 0.400 . 1 . . . . 52 SER C . 18837 1 641 . 1 1 66 66 SER CA C 13 58.044 0.400 . 1 . . . . 52 SER CA . 18837 1 642 . 1 1 66 66 SER CB C 13 66.120 0.400 . 1 . . . . 52 SER CB . 18837 1 643 . 1 1 66 66 SER N N 15 122.455 0.400 . 1 . . . . 52 SER N . 18837 1 644 . 1 1 67 67 ASN H H 1 8.364 0.020 . 1 . . . . 53 ASN H . 18837 1 645 . 1 1 67 67 ASN HA H 1 4.329 0.020 . 1 . . . . 53 ASN HA . 18837 1 646 . 1 1 67 67 ASN HB2 H 1 2.781 0.020 . 2 . . . . 53 ASN HB2 . 18837 1 647 . 1 1 67 67 ASN HB3 H 1 2.543 0.020 . 2 . . . . 53 ASN HB3 . 18837 1 648 . 1 1 67 67 ASN HD21 H 1 7.446 0.020 . 2 . . . . 53 ASN HD21 . 18837 1 649 . 1 1 67 67 ASN HD22 H 1 6.834 0.020 . 2 . . . . 53 ASN HD22 . 18837 1 650 . 1 1 67 67 ASN C C 13 175.050 0.400 . 1 . . . . 53 ASN C . 18837 1 651 . 1 1 67 67 ASN CA C 13 55.713 0.400 . 1 . . . . 53 ASN CA . 18837 1 652 . 1 1 67 67 ASN CB C 13 36.837 0.400 . 1 . . . . 53 ASN CB . 18837 1 653 . 1 1 67 67 ASN N N 15 119.289 0.400 . 1 . . . . 53 ASN N . 18837 1 654 . 1 1 67 67 ASN ND2 N 15 113.710 0.400 . 1 . . . . 53 ASN ND2 . 18837 1 655 . 1 1 68 68 LEU H H 1 7.645 0.020 . 1 . . . . 54 LEU H . 18837 1 656 . 1 1 68 68 LEU HA H 1 4.472 0.020 . 1 . . . . 54 LEU HA . 18837 1 657 . 1 1 68 68 LEU HB2 H 1 1.707 0.020 . 2 . . . . 54 LEU HB2 . 18837 1 658 . 1 1 68 68 LEU HB3 H 1 1.502 0.020 . 2 . . . . 54 LEU HB3 . 18837 1 659 . 1 1 68 68 LEU HG H 1 1.577 0.020 . 1 . . . . 54 LEU HG . 18837 1 660 . 1 1 68 68 LEU HD11 H 1 0.867 0.020 . 2 . . . . 54 LEU HD1 . 18837 1 661 . 1 1 68 68 LEU HD12 H 1 0.867 0.020 . 2 . . . . 54 LEU HD1 . 18837 1 662 . 1 1 68 68 LEU HD13 H 1 0.867 0.020 . 2 . . . . 54 LEU HD1 . 18837 1 663 . 1 1 68 68 LEU HD21 H 1 0.815 0.020 . 2 . . . . 54 LEU HD2 . 18837 1 664 . 1 1 68 68 LEU HD22 H 1 0.815 0.020 . 2 . . . . 54 LEU HD2 . 18837 1 665 . 1 1 68 68 LEU HD23 H 1 0.815 0.020 . 2 . . . . 54 LEU HD2 . 18837 1 666 . 1 1 68 68 LEU C C 13 177.727 0.400 . 1 . . . . 54 LEU C . 18837 1 667 . 1 1 68 68 LEU CA C 13 54.378 0.400 . 1 . . . . 54 LEU CA . 18837 1 668 . 1 1 68 68 LEU CB C 13 42.259 0.400 . 1 . . . . 54 LEU CB . 18837 1 669 . 1 1 68 68 LEU CG C 13 26.927 0.400 . 1 . . . . 54 LEU CG . 18837 1 670 . 1 1 68 68 LEU CD1 C 13 25.286 0.400 . 1 . . . . 54 LEU CD1 . 18837 1 671 . 1 1 68 68 LEU CD2 C 13 22.704 0.400 . 1 . . . . 54 LEU CD2 . 18837 1 672 . 1 1 68 68 LEU N N 15 117.130 0.400 . 1 . . . . 54 LEU N . 18837 1 673 . 1 1 69 69 GLY H H 1 7.853 0.020 . 1 . . . . 55 GLY H . 18837 1 674 . 1 1 69 69 GLY HA2 H 1 4.047 0.020 . 2 . . . . 55 GLY HA2 . 18837 1 675 . 1 1 69 69 GLY HA3 H 1 3.417 0.020 . 2 . . . . 55 GLY HA3 . 18837 1 676 . 1 1 69 69 GLY C C 13 173.962 0.400 . 1 . . . . 55 GLY C . 18837 1 677 . 1 1 69 69 GLY CA C 13 45.725 0.400 . 1 . . . . 55 GLY CA . 18837 1 678 . 1 1 69 69 GLY N N 15 108.181 0.400 . 1 . . . . 55 GLY N . 18837 1 679 . 1 1 70 70 THR H H 1 7.297 0.020 . 1 . . . . 56 THR H . 18837 1 680 . 1 1 70 70 THR HA H 1 4.445 0.020 . 1 . . . . 56 THR HA . 18837 1 681 . 1 1 70 70 THR HB H 1 4.196 0.020 . 1 . . . . 56 THR HB . 18837 1 682 . 1 1 70 70 THR HG21 H 1 1.132 0.020 . 1 . . . . 56 THR HG2 . 18837 1 683 . 1 1 70 70 THR HG22 H 1 1.132 0.020 . 1 . . . . 56 THR HG2 . 18837 1 684 . 1 1 70 70 THR HG23 H 1 1.132 0.020 . 1 . . . . 56 THR HG2 . 18837 1 685 . 1 1 70 70 THR C C 13 174.115 0.400 . 1 . . . . 56 THR C . 18837 1 686 . 1 1 70 70 THR CA C 13 60.672 0.400 . 1 . . . . 56 THR CA . 18837 1 687 . 1 1 70 70 THR CB C 13 70.097 0.400 . 1 . . . . 56 THR CB . 18837 1 688 . 1 1 70 70 THR CG2 C 13 22.190 0.400 . 1 . . . . 56 THR CG2 . 18837 1 689 . 1 1 70 70 THR N N 15 111.746 0.400 . 1 . . . . 56 THR N . 18837 1 690 . 1 1 71 71 THR H H 1 8.439 0.020 . 1 . . . . 57 THR H . 18837 1 691 . 1 1 71 71 THR HA H 1 5.191 0.020 . 1 . . . . 57 THR HA . 18837 1 692 . 1 1 71 71 THR HB H 1 3.961 0.020 . 1 . . . . 57 THR HB . 18837 1 693 . 1 1 71 71 THR HG21 H 1 1.194 0.020 . 1 . . . . 57 THR HG2 . 18837 1 694 . 1 1 71 71 THR HG22 H 1 1.194 0.020 . 1 . . . . 57 THR HG2 . 18837 1 695 . 1 1 71 71 THR HG23 H 1 1.194 0.020 . 1 . . . . 57 THR HG2 . 18837 1 696 . 1 1 71 71 THR C C 13 173.720 0.400 . 1 . . . . 57 THR C . 18837 1 697 . 1 1 71 71 THR CA C 13 60.006 0.400 . 1 . . . . 57 THR CA . 18837 1 698 . 1 1 71 71 THR CB C 13 72.311 0.400 . 1 . . . . 57 THR CB . 18837 1 699 . 1 1 71 71 THR CG2 C 13 23.198 0.400 . 1 . . . . 57 THR CG2 . 18837 1 700 . 1 1 71 71 THR N N 15 113.868 0.400 . 1 . . . . 57 THR N . 18837 1 701 . 1 1 72 72 TRP H H 1 7.972 0.020 . 1 . . . . 58 TRP H . 18837 1 702 . 1 1 72 72 TRP HA H 1 4.574 0.020 . 1 . . . . 58 TRP HA . 18837 1 703 . 1 1 72 72 TRP HB2 H 1 3.195 0.020 . 2 . . . . 58 TRP HB2 . 18837 1 704 . 1 1 72 72 TRP HB3 H 1 2.756 0.020 . 2 . . . . 58 TRP HB3 . 18837 1 705 . 1 1 72 72 TRP HD1 H 1 7.395 0.020 . 1 . . . . 58 TRP HD1 . 18837 1 706 . 1 1 72 72 TRP HE1 H 1 10.112 0.020 . 1 . . . . 58 TRP HE1 . 18837 1 707 . 1 1 72 72 TRP HE3 H 1 6.946 0.020 . 1 . . . . 58 TRP HE3 . 18837 1 708 . 1 1 72 72 TRP HZ2 H 1 7.504 0.020 . 1 . . . . 58 TRP HZ2 . 18837 1 709 . 1 1 72 72 TRP HZ3 H 1 6.544 0.020 . 1 . . . . 58 TRP HZ3 . 18837 1 710 . 1 1 72 72 TRP HH2 H 1 7.134 0.020 . 1 . . . . 58 TRP HH2 . 18837 1 711 . 1 1 72 72 TRP C C 13 173.681 0.400 . 1 . . . . 58 TRP C . 18837 1 712 . 1 1 72 72 TRP CA C 13 57.963 0.400 . 1 . . . . 58 TRP CA . 18837 1 713 . 1 1 72 72 TRP CB C 13 33.195 0.400 . 1 . . . . 58 TRP CB . 18837 1 714 . 1 1 72 72 TRP N N 15 121.804 0.400 . 1 . . . . 58 TRP N . 18837 1 715 . 1 1 72 72 TRP NE1 N 15 130.145 0.400 . 1 . . . . 58 TRP NE1 . 18837 1 716 . 1 1 73 73 TYR H H 1 7.442 0.020 . 1 . . . . 59 TYR H . 18837 1 717 . 1 1 73 73 TYR HA H 1 4.617 0.020 . 1 . . . . 59 TYR HA . 18837 1 718 . 1 1 73 73 TYR HB2 H 1 2.734 0.020 . 2 . . . . 59 TYR HB2 . 18837 1 719 . 1 1 73 73 TYR HB3 H 1 2.123 0.020 . 2 . . . . 59 TYR HB3 . 18837 1 720 . 1 1 73 73 TYR HD1 H 1 6.967 0.020 . 1 . . . . 59 TYR HD1 . 18837 1 721 . 1 1 73 73 TYR HD2 H 1 6.967 0.020 . 1 . . . . 59 TYR HD2 . 18837 1 722 . 1 1 73 73 TYR HE1 H 1 6.760 0.020 . 1 . . . . 59 TYR HE1 . 18837 1 723 . 1 1 73 73 TYR HE2 H 1 6.760 0.020 . 1 . . . . 59 TYR HE2 . 18837 1 724 . 1 1 73 73 TYR C C 13 173.090 0.400 . 1 . . . . 59 TYR C . 18837 1 725 . 1 1 73 73 TYR CA C 13 56.522 0.400 . 1 . . . . 59 TYR CA . 18837 1 726 . 1 1 73 73 TYR CB C 13 42.581 0.400 . 1 . . . . 59 TYR CB . 18837 1 727 . 1 1 73 73 TYR N N 15 123.886 0.400 . 1 . . . . 59 TYR N . 18837 1 728 . 1 1 74 74 THR H H 1 7.375 0.020 . 1 . . . . 60 THR H . 18837 1 729 . 1 1 74 74 THR HA H 1 3.857 0.020 . 1 . . . . 60 THR HA . 18837 1 730 . 1 1 74 74 THR HB H 1 4.394 0.020 . 1 . . . . 60 THR HB . 18837 1 731 . 1 1 74 74 THR HG21 H 1 1.367 0.020 . 1 . . . . 60 THR HG2 . 18837 1 732 . 1 1 74 74 THR HG22 H 1 1.367 0.020 . 1 . . . . 60 THR HG2 . 18837 1 733 . 1 1 74 74 THR HG23 H 1 1.367 0.020 . 1 . . . . 60 THR HG2 . 18837 1 734 . 1 1 74 74 THR C C 13 175.460 0.400 . 1 . . . . 60 THR C . 18837 1 735 . 1 1 74 74 THR CA C 13 61.701 0.400 . 1 . . . . 60 THR CA . 18837 1 736 . 1 1 74 74 THR CB C 13 68.376 0.400 . 1 . . . . 60 THR CB . 18837 1 737 . 1 1 74 74 THR CG2 C 13 22.226 0.400 . 1 . . . . 60 THR CG2 . 18837 1 738 . 1 1 74 74 THR N N 15 115.783 0.400 . 1 . . . . 60 THR N . 18837 1 739 . 1 1 75 75 GLY H H 1 8.508 0.020 . 1 . . . . 61 GLY H . 18837 1 740 . 1 1 75 75 GLY HA2 H 1 4.019 0.020 . 2 . . . . 61 GLY HA2 . 18837 1 741 . 1 1 75 75 GLY HA3 H 1 3.581 0.020 . 2 . . . . 61 GLY HA3 . 18837 1 742 . 1 1 75 75 GLY CA C 13 48.526 0.400 . 1 . . . . 61 GLY CA . 18837 1 743 . 1 1 75 75 GLY N N 15 113.978 0.400 . 1 . . . . 61 GLY N . 18837 1 744 . 1 1 76 76 SER C C 13 175.779 0.400 . 1 . . . . 62 SER C . 18837 1 745 . 1 1 76 76 SER CA C 13 60.346 0.400 . 1 . . . . 62 SER CA . 18837 1 746 . 1 1 76 76 SER CB C 13 63.028 0.400 . 1 . . . . 62 SER CB . 18837 1 747 . 1 1 77 77 VAL H H 1 7.380 0.020 . 1 . . . . 63 VAL H . 18837 1 748 . 1 1 77 77 VAL HA H 1 4.145 0.020 . 1 . . . . 63 VAL HA . 18837 1 749 . 1 1 77 77 VAL HB H 1 0.918 0.020 . 1 . . . . 63 VAL HB . 18837 1 750 . 1 1 77 77 VAL HG11 H 1 0.181 0.020 . 2 . . . . 63 VAL HG1 . 18837 1 751 . 1 1 77 77 VAL HG12 H 1 0.181 0.020 . 2 . . . . 63 VAL HG1 . 18837 1 752 . 1 1 77 77 VAL HG13 H 1 0.181 0.020 . 2 . . . . 63 VAL HG1 . 18837 1 753 . 1 1 77 77 VAL HG21 H 1 0.181 0.020 . 2 . . . . 63 VAL HG2 . 18837 1 754 . 1 1 77 77 VAL HG22 H 1 0.181 0.020 . 2 . . . . 63 VAL HG2 . 18837 1 755 . 1 1 77 77 VAL HG23 H 1 0.181 0.020 . 2 . . . . 63 VAL HG2 . 18837 1 756 . 1 1 77 77 VAL C C 13 175.280 0.400 . 1 . . . . 63 VAL C . 18837 1 757 . 1 1 77 77 VAL CA C 13 59.994 0.400 . 1 . . . . 63 VAL CA . 18837 1 758 . 1 1 77 77 VAL CB C 13 31.249 0.400 . 1 . . . . 63 VAL CB . 18837 1 759 . 1 1 77 77 VAL CG1 C 13 20.370 0.400 . 1 . . . . 63 VAL CG1 . 18837 1 760 . 1 1 77 77 VAL N N 15 112.382 0.400 . 1 . . . . 63 VAL N . 18837 1 761 . 1 1 78 78 LYS H H 1 7.118 0.020 . 1 . . . . 64 LYS H . 18837 1 762 . 1 1 78 78 LYS HA H 1 3.570 0.020 . 1 . . . . 64 LYS HA . 18837 1 763 . 1 1 78 78 LYS HB2 H 1 1.749 0.020 . 2 . . . . 64 LYS HB2 . 18837 1 764 . 1 1 78 78 LYS HB3 H 1 1.603 0.020 . 2 . . . . 64 LYS HB3 . 18837 1 765 . 1 1 78 78 LYS HG2 H 1 1.305 0.020 . 2 . . . . 64 LYS HG2 . 18837 1 766 . 1 1 78 78 LYS HG3 H 1 1.305 0.020 . 2 . . . . 64 LYS HG3 . 18837 1 767 . 1 1 78 78 LYS HD2 H 1 1.639 0.020 . 2 . . . . 64 LYS HD2 . 18837 1 768 . 1 1 78 78 LYS HD3 H 1 1.639 0.020 . 2 . . . . 64 LYS HD3 . 18837 1 769 . 1 1 78 78 LYS HE2 H 1 2.932 0.020 . 2 . . . . 64 LYS HE2 . 18837 1 770 . 1 1 78 78 LYS HE3 H 1 2.911 0.020 . 2 . . . . 64 LYS HE3 . 18837 1 771 . 1 1 78 78 LYS C C 13 177.361 0.400 . 1 . . . . 64 LYS C . 18837 1 772 . 1 1 78 78 LYS CA C 13 58.533 0.400 . 1 . . . . 64 LYS CA . 18837 1 773 . 1 1 78 78 LYS CB C 13 32.261 0.400 . 1 . . . . 64 LYS CB . 18837 1 774 . 1 1 78 78 LYS CG C 13 25.175 0.400 . 1 . . . . 64 LYS CG . 18837 1 775 . 1 1 78 78 LYS CD C 13 29.386 0.400 . 1 . . . . 64 LYS CD . 18837 1 776 . 1 1 78 78 LYS CE C 13 42.010 0.400 . 1 . . . . 64 LYS CE . 18837 1 777 . 1 1 78 78 LYS N N 15 125.428 0.400 . 1 . . . . 64 LYS N . 18837 1 778 . 1 1 79 79 GLY H H 1 9.120 0.020 . 1 . . . . 65 GLY H . 18837 1 779 . 1 1 79 79 GLY HA2 H 1 4.267 0.020 . 2 . . . . 65 GLY HA2 . 18837 1 780 . 1 1 79 79 GLY HA3 H 1 3.512 0.020 . 2 . . . . 65 GLY HA3 . 18837 1 781 . 1 1 79 79 GLY CA C 13 45.484 0.400 . 1 . . . . 65 GLY CA . 18837 1 782 . 1 1 79 79 GLY N N 15 116.064 0.400 . 1 . . . . 65 GLY N . 18837 1 783 . 1 1 80 80 ARG H H 1 7.719 0.020 . 1 . . . . 66 ARG H . 18837 1 784 . 1 1 80 80 ARG HA H 1 4.591 0.020 . 1 . . . . 66 ARG HA . 18837 1 785 . 1 1 80 80 ARG HB2 H 1 2.115 0.020 . 2 . . . . 66 ARG HB2 . 18837 1 786 . 1 1 80 80 ARG HB3 H 1 1.671 0.020 . 2 . . . . 66 ARG HB3 . 18837 1 787 . 1 1 80 80 ARG HG2 H 1 1.461 0.020 . 2 . . . . 66 ARG HG2 . 18837 1 788 . 1 1 80 80 ARG HG3 H 1 1.367 0.020 . 2 . . . . 66 ARG HG3 . 18837 1 789 . 1 1 80 80 ARG HD2 H 1 3.291 0.020 . 2 . . . . 66 ARG HD2 . 18837 1 790 . 1 1 80 80 ARG HD3 H 1 3.291 0.020 . 2 . . . . 66 ARG HD3 . 18837 1 791 . 1 1 80 80 ARG C C 13 175.795 0.400 . 1 . . . . 66 ARG C . 18837 1 792 . 1 1 80 80 ARG CA C 13 57.276 0.400 . 1 . . . . 66 ARG CA . 18837 1 793 . 1 1 80 80 ARG CB C 13 31.192 0.400 . 1 . . . . 66 ARG CB . 18837 1 794 . 1 1 80 80 ARG CG C 13 28.550 0.400 . 1 . . . . 66 ARG CG . 18837 1 795 . 1 1 80 80 ARG CD C 13 43.396 0.400 . 1 . . . . 66 ARG CD . 18837 1 796 . 1 1 80 80 ARG N N 15 117.186 0.400 . 1 . . . . 66 ARG N . 18837 1 797 . 1 1 81 81 PHE H H 1 7.538 0.020 . 1 . . . . 67 PHE H . 18837 1 798 . 1 1 81 81 PHE HA H 1 6.126 0.020 . 1 . . . . 67 PHE HA . 18837 1 799 . 1 1 81 81 PHE HB2 H 1 2.963 0.020 . 2 . . . . 67 PHE HB2 . 18837 1 800 . 1 1 81 81 PHE HB3 H 1 2.963 0.020 . 2 . . . . 67 PHE HB3 . 18837 1 801 . 1 1 81 81 PHE HD1 H 1 7.051 0.020 . 1 . . . . 67 PHE HD1 . 18837 1 802 . 1 1 81 81 PHE HD2 H 1 7.051 0.020 . 1 . . . . 67 PHE HD2 . 18837 1 803 . 1 1 81 81 PHE HE1 H 1 7.258 0.020 . 1 . . . . 67 PHE HE1 . 18837 1 804 . 1 1 81 81 PHE HE2 H 1 7.258 0.020 . 1 . . . . 67 PHE HE2 . 18837 1 805 . 1 1 81 81 PHE HZ H 1 7.134 0.020 . 1 . . . . 67 PHE HZ . 18837 1 806 . 1 1 81 81 PHE C C 13 174.975 0.400 . 1 . . . . 67 PHE C . 18837 1 807 . 1 1 81 81 PHE CA C 13 52.759 0.400 . 1 . . . . 67 PHE CA . 18837 1 808 . 1 1 81 81 PHE CB C 13 39.678 0.400 . 1 . . . . 67 PHE CB . 18837 1 809 . 1 1 81 81 PHE N N 15 120.140 0.400 . 1 . . . . 67 PHE N . 18837 1 810 . 1 1 82 82 THR H H 1 8.861 0.020 . 1 . . . . 68 THR H . 18837 1 811 . 1 1 82 82 THR HA H 1 5.088 0.020 . 1 . . . . 68 THR HA . 18837 1 812 . 1 1 82 82 THR HB H 1 3.855 0.020 . 1 . . . . 68 THR HB . 18837 1 813 . 1 1 82 82 THR HG21 H 1 1.220 0.020 . 1 . . . . 68 THR HG2 . 18837 1 814 . 1 1 82 82 THR HG22 H 1 1.220 0.020 . 1 . . . . 68 THR HG2 . 18837 1 815 . 1 1 82 82 THR HG23 H 1 1.220 0.020 . 1 . . . . 68 THR HG2 . 18837 1 816 . 1 1 82 82 THR C C 13 173.759 0.400 . 1 . . . . 68 THR C . 18837 1 817 . 1 1 82 82 THR CA C 13 61.614 0.400 . 1 . . . . 68 THR CA . 18837 1 818 . 1 1 82 82 THR CB C 13 72.434 0.400 . 1 . . . . 68 THR CB . 18837 1 819 . 1 1 82 82 THR N N 15 112.897 0.400 . 1 . . . . 68 THR N . 18837 1 820 . 1 1 83 83 ILE H H 1 9.485 0.020 . 1 . . . . 69 ILE H . 18837 1 821 . 1 1 83 83 ILE HA H 1 5.738 0.020 . 1 . . . . 69 ILE HA . 18837 1 822 . 1 1 83 83 ILE HB H 1 1.968 0.020 . 1 . . . . 69 ILE HB . 18837 1 823 . 1 1 83 83 ILE HG12 H 1 1.329 0.020 . 2 . . . . 69 ILE HG12 . 18837 1 824 . 1 1 83 83 ILE HG13 H 1 1.329 0.020 . 2 . . . . 69 ILE HG13 . 18837 1 825 . 1 1 83 83 ILE HG21 H 1 1.180 0.020 . 1 . . . . 69 ILE HG2 . 18837 1 826 . 1 1 83 83 ILE HG22 H 1 1.180 0.020 . 1 . . . . 69 ILE HG2 . 18837 1 827 . 1 1 83 83 ILE HG23 H 1 1.180 0.020 . 1 . . . . 69 ILE HG2 . 18837 1 828 . 1 1 83 83 ILE HD11 H 1 1.058 0.020 . 1 . . . . 69 ILE HD1 . 18837 1 829 . 1 1 83 83 ILE HD12 H 1 1.058 0.020 . 1 . . . . 69 ILE HD1 . 18837 1 830 . 1 1 83 83 ILE HD13 H 1 1.058 0.020 . 1 . . . . 69 ILE HD1 . 18837 1 831 . 1 1 83 83 ILE C C 13 172.466 0.400 . 1 . . . . 69 ILE C . 18837 1 832 . 1 1 83 83 ILE CA C 13 58.856 0.400 . 1 . . . . 69 ILE CA . 18837 1 833 . 1 1 83 83 ILE CB C 13 41.662 0.400 . 1 . . . . 69 ILE CB . 18837 1 834 . 1 1 83 83 ILE CG2 C 13 15.792 0.400 . 1 . . . . 69 ILE CG2 . 18837 1 835 . 1 1 83 83 ILE CD1 C 13 15.792 0.400 . 1 . . . . 69 ILE CD1 . 18837 1 836 . 1 1 83 83 ILE N N 15 133.503 0.400 . 1 . . . . 69 ILE N . 18837 1 837 . 1 1 84 84 SER H H 1 8.726 0.020 . 1 . . . . 70 SER H . 18837 1 838 . 1 1 84 84 SER HA H 1 4.729 0.020 . 1 . . . . 70 SER HA . 18837 1 839 . 1 1 84 84 SER HB2 H 1 3.920 0.020 . 2 . . . . 70 SER HB2 . 18837 1 840 . 1 1 84 84 SER HB3 H 1 3.920 0.020 . 2 . . . . 70 SER HB3 . 18837 1 841 . 1 1 84 84 SER C C 13 171.522 0.400 . 1 . . . . 70 SER C . 18837 1 842 . 1 1 84 84 SER CA C 13 57.909 0.400 . 1 . . . . 70 SER CA . 18837 1 843 . 1 1 84 84 SER CB C 13 65.686 0.400 . 1 . . . . 70 SER CB . 18837 1 844 . 1 1 84 84 SER N N 15 118.683 0.400 . 1 . . . . 70 SER N . 18837 1 845 . 1 1 85 85 GLN H H 1 8.712 0.020 . 1 . . . . 71 GLN H . 18837 1 846 . 1 1 85 85 GLN HA H 1 4.745 0.020 . 1 . . . . 71 GLN HA . 18837 1 847 . 1 1 85 85 GLN HB2 H 1 1.584 0.020 . 2 . . . . 71 GLN HB2 . 18837 1 848 . 1 1 85 85 GLN HB3 H 1 1.508 0.020 . 2 . . . . 71 GLN HB3 . 18837 1 849 . 1 1 85 85 GLN C C 13 173.765 0.400 . 1 . . . . 71 GLN C . 18837 1 850 . 1 1 85 85 GLN CA C 13 54.812 0.400 . 1 . . . . 71 GLN CA . 18837 1 851 . 1 1 85 85 GLN CB C 13 34.500 0.400 . 1 . . . . 71 GLN CB . 18837 1 852 . 1 1 85 85 GLN N N 15 120.049 0.400 . 1 . . . . 71 GLN N . 18837 1 853 . 1 1 86 86 ASP H H 1 8.697 0.020 . 1 . . . . 72 ASP H . 18837 1 854 . 1 1 86 86 ASP HA H 1 5.019 0.020 . 1 . . . . 72 ASP HA . 18837 1 855 . 1 1 86 86 ASP HB2 H 1 2.989 0.020 . 2 . . . . 72 ASP HB2 . 18837 1 856 . 1 1 86 86 ASP HB3 H 1 2.621 0.020 . 2 . . . . 72 ASP HB3 . 18837 1 857 . 1 1 86 86 ASP C C 13 176.828 0.400 . 1 . . . . 72 ASP C . 18837 1 858 . 1 1 86 86 ASP CA C 13 52.570 0.400 . 1 . . . . 72 ASP CA . 18837 1 859 . 1 1 86 86 ASP CB C 13 42.776 0.400 . 1 . . . . 72 ASP CB . 18837 1 860 . 1 1 86 86 ASP N N 15 124.892 0.400 . 1 . . . . 72 ASP N . 18837 1 861 . 1 1 87 87 SER H H 1 9.146 0.020 . 1 . . . . 73 SER H . 18837 1 862 . 1 1 87 87 SER C C 13 177.367 0.400 . 1 . . . . 73 SER C . 18837 1 863 . 1 1 87 87 SER CA C 13 61.590 0.400 . 1 . . . . 73 SER CA . 18837 1 864 . 1 1 87 87 SER CB C 13 62.703 0.400 . 1 . . . . 73 SER CB . 18837 1 865 . 1 1 87 87 SER N N 15 120.959 0.400 . 1 . . . . 73 SER N . 18837 1 866 . 1 1 88 88 ALA H H 1 8.375 0.020 . 1 . . . . 74 ALA H . 18837 1 867 . 1 1 88 88 ALA HA H 1 4.287 0.020 . 1 . . . . 74 ALA HA . 18837 1 868 . 1 1 88 88 ALA HB1 H 1 1.569 0.020 . 1 . . . . 74 ALA HB . 18837 1 869 . 1 1 88 88 ALA HB2 H 1 1.569 0.020 . 1 . . . . 74 ALA HB . 18837 1 870 . 1 1 88 88 ALA HB3 H 1 1.569 0.020 . 1 . . . . 74 ALA HB . 18837 1 871 . 1 1 88 88 ALA C C 13 179.713 0.400 . 1 . . . . 74 ALA C . 18837 1 872 . 1 1 88 88 ALA CA C 13 55.003 0.400 . 1 . . . . 74 ALA CA . 18837 1 873 . 1 1 88 88 ALA CB C 13 18.398 0.400 . 1 . . . . 74 ALA CB . 18837 1 874 . 1 1 88 88 ALA N N 15 125.363 0.400 . 1 . . . . 74 ALA N . 18837 1 875 . 1 1 89 89 LYS H H 1 7.492 0.020 . 1 . . . . 75 LYS H . 18837 1 876 . 1 1 89 89 LYS HA H 1 4.397 0.020 . 1 . . . . 75 LYS HA . 18837 1 877 . 1 1 89 89 LYS HB2 H 1 2.051 0.020 . 2 . . . . 75 LYS HB2 . 18837 1 878 . 1 1 89 89 LYS HB3 H 1 2.045 0.020 . 2 . . . . 75 LYS HB3 . 18837 1 879 . 1 1 89 89 LYS HG2 H 1 1.534 0.020 . 2 . . . . 75 LYS HG2 . 18837 1 880 . 1 1 89 89 LYS HG3 H 1 1.406 0.020 . 2 . . . . 75 LYS HG3 . 18837 1 881 . 1 1 89 89 LYS HD2 H 1 1.698 0.020 . 2 . . . . 75 LYS HD2 . 18837 1 882 . 1 1 89 89 LYS HD3 H 1 1.698 0.020 . 2 . . . . 75 LYS HD3 . 18837 1 883 . 1 1 89 89 LYS HE2 H 1 3.018 0.020 . 2 . . . . 75 LYS HE2 . 18837 1 884 . 1 1 89 89 LYS HE3 H 1 3.018 0.020 . 2 . . . . 75 LYS HE3 . 18837 1 885 . 1 1 89 89 LYS C C 13 177.274 0.400 . 1 . . . . 75 LYS C . 18837 1 886 . 1 1 89 89 LYS CA C 13 55.336 0.400 . 1 . . . . 75 LYS CA . 18837 1 887 . 1 1 89 89 LYS CB C 13 32.798 0.400 . 1 . . . . 75 LYS CB . 18837 1 888 . 1 1 89 89 LYS CG C 13 25.751 0.400 . 1 . . . . 75 LYS CG . 18837 1 889 . 1 1 89 89 LYS CD C 13 28.944 0.400 . 1 . . . . 75 LYS CD . 18837 1 890 . 1 1 89 89 LYS CE C 13 42.105 0.400 . 1 . . . . 75 LYS CE . 18837 1 891 . 1 1 89 89 LYS N N 15 114.861 0.400 . 1 . . . . 75 LYS N . 18837 1 892 . 1 1 90 90 ASN H H 1 8.370 0.020 . 1 . . . . 76 ASN H . 18837 1 893 . 1 1 90 90 ASN HA H 1 4.407 0.020 . 1 . . . . 76 ASN HA . 18837 1 894 . 1 1 90 90 ASN HB2 H 1 3.687 0.020 . 2 . . . . 76 ASN HB2 . 18837 1 895 . 1 1 90 90 ASN HB3 H 1 2.435 0.020 . 2 . . . . 76 ASN HB3 . 18837 1 896 . 1 1 90 90 ASN HD21 H 1 8.114 0.020 . 2 . . . . 76 ASN HD21 . 18837 1 897 . 1 1 90 90 ASN HD22 H 1 7.226 0.020 . 2 . . . . 76 ASN HD22 . 18837 1 898 . 1 1 90 90 ASN C C 13 173.068 0.400 . 1 . . . . 76 ASN C . 18837 1 899 . 1 1 90 90 ASN CA C 13 53.200 0.400 . 1 . . . . 76 ASN CA . 18837 1 900 . 1 1 90 90 ASN CB C 13 39.226 0.400 . 1 . . . . 76 ASN CB . 18837 1 901 . 1 1 90 90 ASN N N 15 126.582 0.400 . 1 . . . . 76 ASN N . 18837 1 902 . 1 1 90 90 ASN ND2 N 15 112.374 0.400 . 1 . . . . 76 ASN ND2 . 18837 1 903 . 1 1 91 91 THR H H 1 7.497 0.020 . 1 . . . . 77 THR H . 18837 1 904 . 1 1 91 91 THR HA H 1 5.312 0.020 . 1 . . . . 77 THR HA . 18837 1 905 . 1 1 91 91 THR HB H 1 3.307 0.020 . 1 . . . . 77 THR HB . 18837 1 906 . 1 1 91 91 THR HG21 H 1 0.350 0.020 . 1 . . . . 77 THR HG2 . 18837 1 907 . 1 1 91 91 THR HG22 H 1 0.350 0.020 . 1 . . . . 77 THR HG2 . 18837 1 908 . 1 1 91 91 THR HG23 H 1 0.350 0.020 . 1 . . . . 77 THR HG2 . 18837 1 909 . 1 1 91 91 THR C C 13 171.748 0.400 . 1 . . . . 77 THR C . 18837 1 910 . 1 1 91 91 THR CA C 13 61.444 0.400 . 1 . . . . 77 THR CA . 18837 1 911 . 1 1 91 91 THR CB C 13 74.299 0.400 . 1 . . . . 77 THR CB . 18837 1 912 . 1 1 91 91 THR CG2 C 13 20.989 0.400 . 1 . . . . 77 THR CG2 . 18837 1 913 . 1 1 91 91 THR N N 15 110.031 0.400 . 1 . . . . 77 THR N . 18837 1 914 . 1 1 92 92 VAL H H 1 8.400 0.020 . 1 . . . . 78 VAL H . 18837 1 915 . 1 1 92 92 VAL HA H 1 4.612 0.020 . 1 . . . . 78 VAL HA . 18837 1 916 . 1 1 92 92 VAL HB H 1 1.714 0.020 . 1 . . . . 78 VAL HB . 18837 1 917 . 1 1 92 92 VAL HG11 H 1 1.083 0.020 . 2 . . . . 78 VAL HG1 . 18837 1 918 . 1 1 92 92 VAL HG12 H 1 1.083 0.020 . 2 . . . . 78 VAL HG1 . 18837 1 919 . 1 1 92 92 VAL HG13 H 1 1.083 0.020 . 2 . . . . 78 VAL HG1 . 18837 1 920 . 1 1 92 92 VAL HG21 H 1 0.863 0.020 . 2 . . . . 78 VAL HG2 . 18837 1 921 . 1 1 92 92 VAL HG22 H 1 0.863 0.020 . 2 . . . . 78 VAL HG2 . 18837 1 922 . 1 1 92 92 VAL HG23 H 1 0.863 0.020 . 2 . . . . 78 VAL HG2 . 18837 1 923 . 1 1 92 92 VAL C C 13 174.101 0.400 . 1 . . . . 78 VAL C . 18837 1 924 . 1 1 92 92 VAL CA C 13 60.516 0.400 . 1 . . . . 78 VAL CA . 18837 1 925 . 1 1 92 92 VAL CB C 13 35.374 0.400 . 1 . . . . 78 VAL CB . 18837 1 926 . 1 1 92 92 VAL CG1 C 13 22.445 0.400 . 1 . . . . 78 VAL CG1 . 18837 1 927 . 1 1 92 92 VAL CG2 C 13 22.560 0.400 . 1 . . . . 78 VAL CG2 . 18837 1 928 . 1 1 92 92 VAL N N 15 125.615 0.400 . 1 . . . . 78 VAL N . 18837 1 929 . 1 1 93 93 TYR H H 1 9.078 0.020 . 1 . . . . 79 TYR H . 18837 1 930 . 1 1 93 93 TYR HA H 1 5.587 0.020 . 1 . . . . 79 TYR HA . 18837 1 931 . 1 1 93 93 TYR HB2 H 1 2.787 0.020 . 2 . . . . 79 TYR HB2 . 18837 1 932 . 1 1 93 93 TYR HB3 H 1 2.787 0.020 . 2 . . . . 79 TYR HB3 . 18837 1 933 . 1 1 93 93 TYR HD1 H 1 6.876 0.020 . 1 . . . . 79 TYR HD1 . 18837 1 934 . 1 1 93 93 TYR HD2 H 1 6.876 0.020 . 1 . . . . 79 TYR HD2 . 18837 1 935 . 1 1 93 93 TYR HE1 H 1 6.688 0.020 . 1 . . . . 79 TYR HE1 . 18837 1 936 . 1 1 93 93 TYR HE2 H 1 6.688 0.020 . 1 . . . . 79 TYR HE2 . 18837 1 937 . 1 1 93 93 TYR C C 13 172.148 0.400 . 1 . . . . 79 TYR C . 18837 1 938 . 1 1 93 93 TYR CA C 13 56.796 0.400 . 1 . . . . 79 TYR CA . 18837 1 939 . 1 1 93 93 TYR CB C 13 41.847 0.400 . 1 . . . . 79 TYR CB . 18837 1 940 . 1 1 93 93 TYR N N 15 126.749 0.400 . 1 . . . . 79 TYR N . 18837 1 941 . 1 1 94 94 LEU H H 1 8.789 0.020 . 1 . . . . 80 LEU H . 18837 1 942 . 1 1 94 94 LEU HA H 1 4.755 0.020 . 1 . . . . 80 LEU HA . 18837 1 943 . 1 1 94 94 LEU HB2 H 1 0.801 0.020 . 2 . . . . 80 LEU HB2 . 18837 1 944 . 1 1 94 94 LEU HB3 H 1 -0.382 0.020 . 2 . . . . 80 LEU HB3 . 18837 1 945 . 1 1 94 94 LEU HD11 H 1 0.786 0.020 . 2 . . . . 80 LEU HD1 . 18837 1 946 . 1 1 94 94 LEU HD12 H 1 0.786 0.020 . 2 . . . . 80 LEU HD1 . 18837 1 947 . 1 1 94 94 LEU HD13 H 1 0.786 0.020 . 2 . . . . 80 LEU HD1 . 18837 1 948 . 1 1 94 94 LEU HD21 H 1 0.226 0.020 . 2 . . . . 80 LEU HD2 . 18837 1 949 . 1 1 94 94 LEU HD22 H 1 0.226 0.020 . 2 . . . . 80 LEU HD2 . 18837 1 950 . 1 1 94 94 LEU HD23 H 1 0.226 0.020 . 2 . . . . 80 LEU HD2 . 18837 1 951 . 1 1 94 94 LEU C C 13 174.399 0.400 . 1 . . . . 80 LEU C . 18837 1 952 . 1 1 94 94 LEU CA C 13 53.358 0.400 . 1 . . . . 80 LEU CA . 18837 1 953 . 1 1 94 94 LEU CB C 13 43.308 0.400 . 1 . . . . 80 LEU CB . 18837 1 954 . 1 1 94 94 LEU CD1 C 13 23.193 0.400 . 1 . . . . 80 LEU CD1 . 18837 1 955 . 1 1 94 94 LEU CD2 C 13 25.129 0.400 . 1 . . . . 80 LEU CD2 . 18837 1 956 . 1 1 94 94 LEU N N 15 122.037 0.400 . 1 . . . . 80 LEU N . 18837 1 957 . 1 1 95 95 GLN H H 1 9.077 0.020 . 1 . . . . 81 GLN H . 18837 1 958 . 1 1 95 95 GLN HA H 1 4.222 0.020 . 1 . . . . 81 GLN HA . 18837 1 959 . 1 1 95 95 GLN HB2 H 1 2.047 0.020 . 2 . . . . 81 GLN HB2 . 18837 1 960 . 1 1 95 95 GLN HB3 H 1 1.946 0.020 . 2 . . . . 81 GLN HB3 . 18837 1 961 . 1 1 95 95 GLN HG2 H 1 2.378 0.020 . 2 . . . . 81 GLN HG2 . 18837 1 962 . 1 1 95 95 GLN HG3 H 1 2.378 0.020 . 2 . . . . 81 GLN HG3 . 18837 1 963 . 1 1 95 95 GLN C C 13 174.414 0.400 . 1 . . . . 81 GLN C . 18837 1 964 . 1 1 95 95 GLN CA C 13 55.090 0.400 . 1 . . . . 81 GLN CA . 18837 1 965 . 1 1 95 95 GLN CB C 13 29.340 0.400 . 1 . . . . 81 GLN CB . 18837 1 966 . 1 1 95 95 GLN CG C 13 33.389 0.400 . 1 . . . . 81 GLN CG . 18837 1 967 . 1 1 95 95 GLN N N 15 128.755 0.400 . 1 . . . . 81 GLN N . 18837 1 968 . 1 1 96 96 MET H H 1 8.881 0.020 . 1 . . . . 82 MET H . 18837 1 969 . 1 1 96 96 MET HA H 1 4.087 0.020 . 1 . . . . 82 MET HA . 18837 1 970 . 1 1 96 96 MET HB2 H 1 1.726 0.020 . 2 . . . . 82 MET HB2 . 18837 1 971 . 1 1 96 96 MET HB3 H 1 1.120 0.020 . 2 . . . . 82 MET HB3 . 18837 1 972 . 1 1 96 96 MET HG2 H 1 1.520 0.020 . 2 . . . . 82 MET HG2 . 18837 1 973 . 1 1 96 96 MET HG3 H 1 1.520 0.020 . 2 . . . . 82 MET HG3 . 18837 1 974 . 1 1 96 96 MET CA C 13 54.855 0.400 . 1 . . . . 82 MET CA . 18837 1 975 . 1 1 96 96 MET CB C 13 35.400 0.400 . 1 . . . . 82 MET CB . 18837 1 976 . 1 1 96 96 MET CG C 13 29.664 0.400 . 1 . . . . 82 MET CG . 18837 1 977 . 1 1 96 96 MET N N 15 127.447 0.400 . 1 . . . . 82 MET N . 18837 1 978 . 1 1 97 97 ASN H H 1 7.753 0.020 . 1 . . . . 83 ASN H . 18837 1 979 . 1 1 97 97 ASN HA H 1 5.148 0.020 . 1 . . . . 83 ASN HA . 18837 1 980 . 1 1 97 97 ASN HB2 H 1 3.135 0.020 . 2 . . . . 83 ASN HB2 . 18837 1 981 . 1 1 97 97 ASN HB3 H 1 2.799 0.020 . 2 . . . . 83 ASN HB3 . 18837 1 982 . 1 1 97 97 ASN HD21 H 1 7.374 0.020 . 2 . . . . 83 ASN HD21 . 18837 1 983 . 1 1 97 97 ASN HD22 H 1 6.783 0.020 . 2 . . . . 83 ASN HD22 . 18837 1 984 . 1 1 97 97 ASN C C 13 173.548 0.400 . 1 . . . . 83 ASN C . 18837 1 985 . 1 1 97 97 ASN CA C 13 51.248 0.400 . 1 . . . . 83 ASN CA . 18837 1 986 . 1 1 97 97 ASN CB C 13 41.004 0.400 . 1 . . . . 83 ASN CB . 18837 1 987 . 1 1 97 97 ASN N N 15 119.759 0.400 . 1 . . . . 83 ASN N . 18837 1 988 . 1 1 97 97 ASN ND2 N 15 113.065 0.400 . 1 . . . . 83 ASN ND2 . 18837 1 989 . 1 1 98 98 SER H H 1 8.615 0.020 . 1 . . . . 84 SER H . 18837 1 990 . 1 1 98 98 SER HA H 1 3.708 0.020 . 1 . . . . 84 SER HA . 18837 1 991 . 1 1 98 98 SER HB2 H 1 4.039 0.020 . 2 . . . . 84 SER HB2 . 18837 1 992 . 1 1 98 98 SER HB3 H 1 3.673 0.020 . 2 . . . . 84 SER HB3 . 18837 1 993 . 1 1 98 98 SER CA C 13 57.766 0.400 . 1 . . . . 84 SER CA . 18837 1 994 . 1 1 98 98 SER CB C 13 61.954 0.400 . 1 . . . . 84 SER CB . 18837 1 995 . 1 1 98 98 SER N N 15 111.195 0.400 . 1 . . . . 84 SER N . 18837 1 996 . 1 1 99 99 LEU H H 1 8.304 0.020 . 1 . . . . 85 LEU H . 18837 1 997 . 1 1 99 99 LEU HA H 1 4.035 0.020 . 1 . . . . 85 LEU HA . 18837 1 998 . 1 1 99 99 LEU HB2 H 1 1.400 0.020 . 2 . . . . 85 LEU HB2 . 18837 1 999 . 1 1 99 99 LEU HB3 H 1 1.320 0.020 . 2 . . . . 85 LEU HB3 . 18837 1 1000 . 1 1 99 99 LEU HG H 1 1.405 0.020 . 1 . . . . 85 LEU HG . 18837 1 1001 . 1 1 99 99 LEU HD11 H 1 0.897 0.020 . 2 . . . . 85 LEU HD1 . 18837 1 1002 . 1 1 99 99 LEU HD12 H 1 0.897 0.020 . 2 . . . . 85 LEU HD1 . 18837 1 1003 . 1 1 99 99 LEU HD13 H 1 0.897 0.020 . 2 . . . . 85 LEU HD1 . 18837 1 1004 . 1 1 99 99 LEU HD21 H 1 0.551 0.020 . 2 . . . . 85 LEU HD2 . 18837 1 1005 . 1 1 99 99 LEU HD22 H 1 0.551 0.020 . 2 . . . . 85 LEU HD2 . 18837 1 1006 . 1 1 99 99 LEU HD23 H 1 0.551 0.020 . 2 . . . . 85 LEU HD2 . 18837 1 1007 . 1 1 99 99 LEU C C 13 176.835 0.400 . 1 . . . . 85 LEU C . 18837 1 1008 . 1 1 99 99 LEU CA C 13 56.429 0.400 . 1 . . . . 85 LEU CA . 18837 1 1009 . 1 1 99 99 LEU CB C 13 42.910 0.400 . 1 . . . . 85 LEU CB . 18837 1 1010 . 1 1 99 99 LEU CG C 13 27.947 0.400 . 1 . . . . 85 LEU CG . 18837 1 1011 . 1 1 99 99 LEU CD1 C 13 24.371 0.400 . 1 . . . . 85 LEU CD1 . 18837 1 1012 . 1 1 99 99 LEU CD2 C 13 27.098 0.400 . 1 . . . . 85 LEU CD2 . 18837 1 1013 . 1 1 99 99 LEU N N 15 119.332 0.400 . 1 . . . . 85 LEU N . 18837 1 1014 . 1 1 100 100 SER H H 1 9.749 0.020 . 1 . . . . 86 SER H . 18837 1 1015 . 1 1 100 100 SER HA H 1 5.106 0.020 . 1 . . . . 86 SER HA . 18837 1 1016 . 1 1 100 100 SER HB2 H 1 4.102 0.020 . 2 . . . . 86 SER HB2 . 18837 1 1017 . 1 1 100 100 SER HB3 H 1 3.823 0.020 . 2 . . . . 86 SER HB3 . 18837 1 1018 . 1 1 100 100 SER CA C 13 55.633 0.400 . 1 . . . . 86 SER CA . 18837 1 1019 . 1 1 100 100 SER CB C 13 65.856 0.400 . 1 . . . . 86 SER CB . 18837 1 1020 . 1 1 100 100 SER N N 15 119.549 0.400 . 1 . . . . 86 SER N . 18837 1 1021 . 1 1 101 101 PRO HA H 1 4.430 0.020 . 1 . . . . 87 PRO HA . 18837 1 1022 . 1 1 101 101 PRO HB2 H 1 2.506 0.020 . 2 . . . . 87 PRO HB2 . 18837 1 1023 . 1 1 101 101 PRO HB3 H 1 1.963 0.020 . 2 . . . . 87 PRO HB3 . 18837 1 1024 . 1 1 101 101 PRO HG2 H 1 2.249 0.020 . 2 . . . . 87 PRO HG2 . 18837 1 1025 . 1 1 101 101 PRO HG3 H 1 1.800 0.020 . 2 . . . . 87 PRO HG3 . 18837 1 1026 . 1 1 101 101 PRO HD2 H 1 3.886 0.020 . 2 . . . . 87 PRO HD2 . 18837 1 1027 . 1 1 101 101 PRO HD3 H 1 3.667 0.020 . 2 . . . . 87 PRO HD3 . 18837 1 1028 . 1 1 101 101 PRO CA C 13 66.196 0.400 . 1 . . . . 87 PRO CA . 18837 1 1029 . 1 1 101 101 PRO CB C 13 31.971 0.400 . 1 . . . . 87 PRO CB . 18837 1 1030 . 1 1 101 101 PRO CG C 13 28.569 0.400 . 1 . . . . 87 PRO CG . 18837 1 1031 . 1 1 101 101 PRO CD C 13 51.209 0.400 . 1 . . . . 87 PRO CD . 18837 1 1032 . 1 1 102 102 GLY C C 13 174.538 0.400 . 1 . . . . 88 GLY C . 18837 1 1033 . 1 1 102 102 GLY CA C 13 46.169 0.400 . 1 . . . . 88 GLY CA . 18837 1 1034 . 1 1 103 103 ASP H H 1 8.725 0.020 . 1 . . . . 89 ASP H . 18837 1 1035 . 1 1 103 103 ASP HA H 1 4.869 0.020 . 1 . . . . 89 ASP HA . 18837 1 1036 . 1 1 103 103 ASP HB2 H 1 3.018 0.020 . 2 . . . . 89 ASP HB2 . 18837 1 1037 . 1 1 103 103 ASP HB3 H 1 2.857 0.020 . 2 . . . . 89 ASP HB3 . 18837 1 1038 . 1 1 103 103 ASP C C 13 176.708 0.400 . 1 . . . . 89 ASP C . 18837 1 1039 . 1 1 103 103 ASP CA C 13 54.904 0.400 . 1 . . . . 89 ASP CA . 18837 1 1040 . 1 1 103 103 ASP CB C 13 42.784 0.400 . 1 . . . . 89 ASP CB . 18837 1 1041 . 1 1 103 103 ASP N N 15 118.326 0.400 . 1 . . . . 89 ASP N . 18837 1 1042 . 1 1 104 104 THR H H 1 7.723 0.020 . 1 . . . . 90 THR H . 18837 1 1043 . 1 1 104 104 THR HA H 1 4.400 0.020 . 1 . . . . 90 THR HA . 18837 1 1044 . 1 1 104 104 THR HB H 1 4.378 0.020 . 1 . . . . 90 THR HB . 18837 1 1045 . 1 1 104 104 THR HG21 H 1 1.562 0.020 . 1 . . . . 90 THR HG2 . 18837 1 1046 . 1 1 104 104 THR HG22 H 1 1.562 0.020 . 1 . . . . 90 THR HG2 . 18837 1 1047 . 1 1 104 104 THR HG23 H 1 1.562 0.020 . 1 . . . . 90 THR HG2 . 18837 1 1048 . 1 1 104 104 THR C C 13 174.524 0.400 . 1 . . . . 90 THR C . 18837 1 1049 . 1 1 104 104 THR CA C 13 64.756 0.400 . 1 . . . . 90 THR CA . 18837 1 1050 . 1 1 104 104 THR CB C 13 70.058 0.400 . 1 . . . . 90 THR CB . 18837 1 1051 . 1 1 104 104 THR N N 15 120.450 0.400 . 1 . . . . 90 THR N . 18837 1 1052 . 1 1 105 105 ALA H H 1 9.282 0.020 . 1 . . . . 91 ALA H . 18837 1 1053 . 1 1 105 105 ALA HA H 1 4.499 0.020 . 1 . . . . 91 ALA HA . 18837 1 1054 . 1 1 105 105 ALA HB1 H 1 1.258 0.020 . 1 . . . . 91 ALA HB . 18837 1 1055 . 1 1 105 105 ALA HB2 H 1 1.258 0.020 . 1 . . . . 91 ALA HB . 18837 1 1056 . 1 1 105 105 ALA HB3 H 1 1.258 0.020 . 1 . . . . 91 ALA HB . 18837 1 1057 . 1 1 105 105 ALA C C 13 175.775 0.400 . 1 . . . . 91 ALA C . 18837 1 1058 . 1 1 105 105 ALA CA C 13 53.017 0.400 . 1 . . . . 91 ALA CA . 18837 1 1059 . 1 1 105 105 ALA CB C 13 21.858 0.400 . 1 . . . . 91 ALA CB . 18837 1 1060 . 1 1 105 105 ALA N N 15 128.673 0.400 . 1 . . . . 91 ALA N . 18837 1 1061 . 1 1 106 106 MET H H 1 7.594 0.020 . 1 . . . . 92 MET H . 18837 1 1062 . 1 1 106 106 MET HA H 1 4.952 0.020 . 1 . . . . 92 MET HA . 18837 1 1063 . 1 1 106 106 MET HB2 H 1 2.097 0.020 . 2 . . . . 92 MET HB2 . 18837 1 1064 . 1 1 106 106 MET HB3 H 1 1.909 0.020 . 2 . . . . 92 MET HB3 . 18837 1 1065 . 1 1 106 106 MET HG2 H 1 2.526 0.020 . 2 . . . . 92 MET HG2 . 18837 1 1066 . 1 1 106 106 MET HG3 H 1 2.526 0.020 . 2 . . . . 92 MET HG3 . 18837 1 1067 . 1 1 106 106 MET C C 13 175.740 0.400 . 1 . . . . 92 MET C . 18837 1 1068 . 1 1 106 106 MET CA C 13 54.569 0.400 . 1 . . . . 92 MET CA . 18837 1 1069 . 1 1 106 106 MET CB C 13 33.389 0.400 . 1 . . . . 92 MET CB . 18837 1 1070 . 1 1 106 106 MET CG C 13 32.208 0.400 . 1 . . . . 92 MET CG . 18837 1 1071 . 1 1 106 106 MET N N 15 117.993 0.400 . 1 . . . . 92 MET N . 18837 1 1072 . 1 1 107 107 TYR H H 1 9.338 0.020 . 1 . . . . 93 TYR H . 18837 1 1073 . 1 1 107 107 TYR HA H 1 5.475 0.020 . 1 . . . . 93 TYR HA . 18837 1 1074 . 1 1 107 107 TYR HB2 H 1 3.056 0.020 . 2 . . . . 93 TYR HB2 . 18837 1 1075 . 1 1 107 107 TYR HB3 H 1 2.901 0.020 . 2 . . . . 93 TYR HB3 . 18837 1 1076 . 1 1 107 107 TYR HD1 H 1 6.927 0.020 . 1 . . . . 93 TYR HD1 . 18837 1 1077 . 1 1 107 107 TYR HD2 H 1 6.927 0.020 . 1 . . . . 93 TYR HD2 . 18837 1 1078 . 1 1 107 107 TYR C C 13 175.004 0.400 . 1 . . . . 93 TYR C . 18837 1 1079 . 1 1 107 107 TYR CA C 13 57.780 0.400 . 1 . . . . 93 TYR CA . 18837 1 1080 . 1 1 107 107 TYR CB C 13 40.959 0.400 . 1 . . . . 93 TYR CB . 18837 1 1081 . 1 1 107 107 TYR N N 15 126.087 0.400 . 1 . . . . 93 TYR N . 18837 1 1082 . 1 1 108 108 TYR H H 1 9.637 0.020 . 1 . . . . 94 TYR H . 18837 1 1083 . 1 1 108 108 TYR HA H 1 5.326 0.020 . 1 . . . . 94 TYR HA . 18837 1 1084 . 1 1 108 108 TYR HB2 H 1 3.298 0.020 . 2 . . . . 94 TYR HB2 . 18837 1 1085 . 1 1 108 108 TYR HB3 H 1 2.848 0.020 . 2 . . . . 94 TYR HB3 . 18837 1 1086 . 1 1 108 108 TYR HD1 H 1 6.883 0.020 . 1 . . . . 94 TYR HD1 . 18837 1 1087 . 1 1 108 108 TYR HD2 H 1 6.883 0.020 . 1 . . . . 94 TYR HD2 . 18837 1 1088 . 1 1 108 108 TYR HE1 H 1 6.621 0.020 . 1 . . . . 94 TYR HE1 . 18837 1 1089 . 1 1 108 108 TYR HE2 H 1 6.621 0.020 . 1 . . . . 94 TYR HE2 . 18837 1 1090 . 1 1 108 108 TYR CA C 13 56.054 0.400 . 1 . . . . 94 TYR CA . 18837 1 1091 . 1 1 108 108 TYR CB C 13 44.231 0.400 . 1 . . . . 94 TYR CB . 18837 1 1092 . 1 1 108 108 TYR N N 15 118.631 0.400 . 1 . . . . 94 TYR N . 18837 1 1093 . 1 1 109 109 CYS C C 13 171.943 0.400 . 1 . . . . 95 CYS C . 18837 1 1094 . 1 1 109 109 CYS CA C 13 52.951 0.400 . 1 . . . . 95 CYS CA . 18837 1 1095 . 1 1 109 109 CYS CB C 13 46.237 0.400 . 1 . . . . 95 CYS CB . 18837 1 1096 . 1 1 110 110 ASN H H 1 8.464 0.020 . 1 . . . . 96 ASN H . 18837 1 1097 . 1 1 110 110 ASN HA H 1 4.799 0.020 . 1 . . . . 96 ASN HA . 18837 1 1098 . 1 1 110 110 ASN HB2 H 1 1.271 0.020 . 2 . . . . 96 ASN HB2 . 18837 1 1099 . 1 1 110 110 ASN HB3 H 1 1.271 0.020 . 2 . . . . 96 ASN HB3 . 18837 1 1100 . 1 1 110 110 ASN C C 13 172.820 0.400 . 1 . . . . 96 ASN C . 18837 1 1101 . 1 1 110 110 ASN CA C 13 51.144 0.400 . 1 . . . . 96 ASN CA . 18837 1 1102 . 1 1 110 110 ASN CB C 13 43.471 0.400 . 1 . . . . 96 ASN CB . 18837 1 1103 . 1 1 110 110 ASN N N 15 120.720 0.400 . 1 . . . . 96 ASN N . 18837 1 1104 . 1 1 111 111 THR H H 1 8.384 0.020 . 1 . . . . 97 THR H . 18837 1 1105 . 1 1 111 111 THR HA H 1 4.990 0.020 . 1 . . . . 97 THR HA . 18837 1 1106 . 1 1 111 111 THR HB H 1 4.229 0.020 . 1 . . . . 97 THR HB . 18837 1 1107 . 1 1 111 111 THR HG21 H 1 1.035 0.020 . 1 . . . . 97 THR HG2 . 18837 1 1108 . 1 1 111 111 THR HG22 H 1 1.035 0.020 . 1 . . . . 97 THR HG2 . 18837 1 1109 . 1 1 111 111 THR HG23 H 1 1.035 0.020 . 1 . . . . 97 THR HG2 . 18837 1 1110 . 1 1 111 111 THR C C 13 172.413 0.400 . 1 . . . . 97 THR C . 18837 1 1111 . 1 1 111 111 THR CA C 13 58.722 0.400 . 1 . . . . 97 THR CA . 18837 1 1112 . 1 1 111 111 THR CB C 13 70.908 0.400 . 1 . . . . 97 THR CB . 18837 1 1113 . 1 1 111 111 THR N N 15 111.953 0.400 . 1 . . . . 97 THR N . 18837 1 1114 . 1 1 112 112 ASP H H 1 8.632 0.020 . 1 . . . . 98 ASP H . 18837 1 1115 . 1 1 112 112 ASP HA H 1 4.837 0.020 . 1 . . . . 98 ASP HA . 18837 1 1116 . 1 1 112 112 ASP HB2 H 1 2.410 0.020 . 2 . . . . 98 ASP HB2 . 18837 1 1117 . 1 1 112 112 ASP HB3 H 1 2.222 0.020 . 2 . . . . 98 ASP HB3 . 18837 1 1118 . 1 1 112 112 ASP C C 13 174.456 0.400 . 1 . . . . 98 ASP C . 18837 1 1119 . 1 1 112 112 ASP CA C 13 51.678 0.400 . 1 . . . . 98 ASP CA . 18837 1 1120 . 1 1 112 112 ASP CB C 13 45.136 0.400 . 1 . . . . 98 ASP CB . 18837 1 1121 . 1 1 112 112 ASP N N 15 120.061 0.400 . 1 . . . . 98 ASP N . 18837 1 1122 . 1 1 113 113 LEU H H 1 8.383 0.020 . 1 . . . . 99 LEU H . 18837 1 1123 . 1 1 113 113 LEU HA H 1 3.950 0.020 . 1 . . . . 99 LEU HA . 18837 1 1124 . 1 1 113 113 LEU HB2 H 1 1.931 0.020 . 2 . . . . 99 LEU HB2 . 18837 1 1125 . 1 1 113 113 LEU HB3 H 1 1.633 0.020 . 2 . . . . 99 LEU HB3 . 18837 1 1126 . 1 1 113 113 LEU HG H 1 1.394 0.020 . 1 . . . . 99 LEU HG . 18837 1 1127 . 1 1 113 113 LEU HD11 H 1 0.827 0.020 . 2 . . . . 99 LEU HD1 . 18837 1 1128 . 1 1 113 113 LEU HD12 H 1 0.827 0.020 . 2 . . . . 99 LEU HD1 . 18837 1 1129 . 1 1 113 113 LEU HD13 H 1 0.827 0.020 . 2 . . . . 99 LEU HD1 . 18837 1 1130 . 1 1 113 113 LEU HD21 H 1 0.791 0.020 . 2 . . . . 99 LEU HD2 . 18837 1 1131 . 1 1 113 113 LEU HD22 H 1 0.791 0.020 . 2 . . . . 99 LEU HD2 . 18837 1 1132 . 1 1 113 113 LEU HD23 H 1 0.791 0.020 . 2 . . . . 99 LEU HD2 . 18837 1 1133 . 1 1 113 113 LEU C C 13 177.128 0.400 . 1 . . . . 99 LEU C . 18837 1 1134 . 1 1 113 113 LEU CA C 13 55.931 0.400 . 1 . . . . 99 LEU CA . 18837 1 1135 . 1 1 113 113 LEU CB C 13 38.968 0.400 . 1 . . . . 99 LEU CB . 18837 1 1136 . 1 1 113 113 LEU CG C 13 27.166 0.400 . 1 . . . . 99 LEU CG . 18837 1 1137 . 1 1 113 113 LEU CD1 C 13 25.851 0.400 . 1 . . . . 99 LEU CD1 . 18837 1 1138 . 1 1 113 113 LEU CD2 C 13 23.126 0.400 . 1 . . . . 99 LEU CD2 . 18837 1 1139 . 1 1 113 113 LEU N N 15 114.960 0.400 . 1 . . . . 99 LEU N . 18837 1 1140 . 1 1 114 114 CYS H H 1 8.871 0.020 . 1 . . . . 100 CYS H . 18837 1 1141 . 1 1 114 114 CYS HA H 1 4.795 0.020 . 1 . . . . 100 CYS HA . 18837 1 1142 . 1 1 114 114 CYS HB2 H 1 3.074 0.020 . 2 . . . . 100 CYS HB2 . 18837 1 1143 . 1 1 114 114 CYS HB3 H 1 2.575 0.020 . 2 . . . . 100 CYS HB3 . 18837 1 1144 . 1 1 114 114 CYS CA C 13 55.089 0.400 . 1 . . . . 100 CYS CA . 18837 1 1145 . 1 1 114 114 CYS CB C 13 40.506 0.400 . 1 . . . . 100 CYS CB . 18837 1 1146 . 1 1 114 114 CYS N N 15 117.763 0.400 . 1 . . . . 100 CYS N . 18837 1 1147 . 1 1 115 115 PRO HA H 1 4.324 0.020 . 1 . . . . 101 PRO HA . 18837 1 1148 . 1 1 115 115 PRO HG2 H 1 2.148 0.020 . 2 . . . . 101 PRO HG2 . 18837 1 1149 . 1 1 115 115 PRO HG3 H 1 1.952 0.020 . 2 . . . . 101 PRO HG3 . 18837 1 1150 . 1 1 115 115 PRO HD2 H 1 3.845 0.020 . 2 . . . . 101 PRO HD2 . 18837 1 1151 . 1 1 115 115 PRO HD3 H 1 3.845 0.020 . 2 . . . . 101 PRO HD3 . 18837 1 1152 . 1 1 115 115 PRO CG C 13 28.331 0.400 . 1 . . . . 101 PRO CG . 18837 1 1153 . 1 1 115 115 PRO CD C 13 50.231 0.400 . 1 . . . . 101 PRO CD . 18837 1 1154 . 1 1 116 116 TRP HD1 H 1 7.160 0.020 . 1 . . . . 102 TRP HD1 . 18837 1 1155 . 1 1 116 116 TRP HE1 H 1 9.930 0.020 . 1 . . . . 102 TRP HE1 . 18837 1 1156 . 1 1 116 116 TRP HZ2 H 1 7.420 0.020 . 1 . . . . 102 TRP HZ2 . 18837 1 1157 . 1 1 116 116 TRP NE1 N 15 128.288 0.400 . 1 . . . . 102 TRP NE1 . 18837 1 1158 . 1 1 121 121 THR C C 13 171.175 0.400 . 1 . . . . 107 THR C . 18837 1 1159 . 1 1 121 121 THR CA C 13 60.398 0.400 . 1 . . . . 107 THR CA . 18837 1 1160 . 1 1 121 121 THR CB C 13 69.941 0.400 . 1 . . . . 107 THR CB . 18837 1 1161 . 1 1 122 122 TRP H H 1 8.247 0.020 . 1 . . . . 108 TRP H . 18837 1 1162 . 1 1 122 122 TRP HA H 1 5.162 0.020 . 1 . . . . 108 TRP HA . 18837 1 1163 . 1 1 122 122 TRP HB2 H 1 3.543 0.020 . 2 . . . . 108 TRP HB2 . 18837 1 1164 . 1 1 122 122 TRP HB3 H 1 2.946 0.020 . 2 . . . . 108 TRP HB3 . 18837 1 1165 . 1 1 122 122 TRP HD1 H 1 7.219 0.020 . 1 . . . . 108 TRP HD1 . 18837 1 1166 . 1 1 122 122 TRP HE1 H 1 9.950 0.020 . 1 . . . . 108 TRP HE1 . 18837 1 1167 . 1 1 122 122 TRP HE3 H 1 7.238 0.020 . 1 . . . . 108 TRP HE3 . 18837 1 1168 . 1 1 122 122 TRP HZ2 H 1 6.884 0.020 . 1 . . . . 108 TRP HZ2 . 18837 1 1169 . 1 1 122 122 TRP HZ3 H 1 6.083 0.020 . 1 . . . . 108 TRP HZ3 . 18837 1 1170 . 1 1 122 122 TRP HH2 H 1 5.108 0.020 . 1 . . . . 108 TRP HH2 . 18837 1 1171 . 1 1 122 122 TRP C C 13 178.223 0.400 . 1 . . . . 108 TRP C . 18837 1 1172 . 1 1 122 122 TRP CA C 13 57.001 0.400 . 1 . . . . 108 TRP CA . 18837 1 1173 . 1 1 122 122 TRP CB C 13 33.881 0.400 . 1 . . . . 108 TRP CB . 18837 1 1174 . 1 1 122 122 TRP N N 15 120.030 0.400 . 1 . . . . 108 TRP N . 18837 1 1175 . 1 1 122 122 TRP NE1 N 15 130.233 0.400 . 1 . . . . 108 TRP NE1 . 18837 1 1176 . 1 1 123 123 GLY H H 1 8.826 0.020 . 1 . . . . 109 GLY H . 18837 1 1177 . 1 1 123 123 GLY HA2 H 1 4.997 0.020 . 2 . . . . 109 GLY HA2 . 18837 1 1178 . 1 1 123 123 GLY HA3 H 1 4.611 0.020 . 2 . . . . 109 GLY HA3 . 18837 1 1179 . 1 1 123 123 GLY C C 13 174.244 0.400 . 1 . . . . 109 GLY C . 18837 1 1180 . 1 1 123 123 GLY CA C 13 45.281 0.400 . 1 . . . . 109 GLY CA . 18837 1 1181 . 1 1 123 123 GLY N N 15 110.383 0.400 . 1 . . . . 109 GLY N . 18837 1 1182 . 1 1 124 124 GLN H H 1 8.905 0.020 . 1 . . . . 110 GLN H . 18837 1 1183 . 1 1 124 124 GLN HA H 1 4.613 0.020 . 1 . . . . 110 GLN HA . 18837 1 1184 . 1 1 124 124 GLN HB2 H 1 2.435 0.020 . 2 . . . . 110 GLN HB2 . 18837 1 1185 . 1 1 124 124 GLN HB3 H 1 2.290 0.020 . 2 . . . . 110 GLN HB3 . 18837 1 1186 . 1 1 124 124 GLN HG2 H 1 2.688 0.020 . 2 . . . . 110 GLN HG2 . 18837 1 1187 . 1 1 124 124 GLN HG3 H 1 2.688 0.020 . 2 . . . . 110 GLN HG3 . 18837 1 1188 . 1 1 124 124 GLN HE21 H 1 7.770 0.020 . 2 . . . . 110 GLN HE21 . 18837 1 1189 . 1 1 124 124 GLN HE22 H 1 6.988 0.020 . 2 . . . . 110 GLN HE22 . 18837 1 1190 . 1 1 124 124 GLN C C 13 177.502 0.400 . 1 . . . . 110 GLN C . 18837 1 1191 . 1 1 124 124 GLN CA C 13 56.797 0.400 . 1 . . . . 110 GLN CA . 18837 1 1192 . 1 1 124 124 GLN CB C 13 30.600 0.400 . 1 . . . . 110 GLN CB . 18837 1 1193 . 1 1 124 124 GLN CG C 13 34.412 0.400 . 1 . . . . 110 GLN CG . 18837 1 1194 . 1 1 124 124 GLN N N 15 117.358 0.400 . 1 . . . . 110 GLN N . 18837 1 1195 . 1 1 124 124 GLN NE2 N 15 112.578 0.400 . 1 . . . . 110 GLN NE2 . 18837 1 1196 . 1 1 125 125 GLY H H 1 9.485 0.020 . 1 . . . . 111 GLY H . 18837 1 1197 . 1 1 125 125 GLY HA3 H 1 3.769 0.020 . 2 . . . . 111 GLY HA3 . 18837 1 1198 . 1 1 125 125 GLY CA C 13 44.577 0.400 . 1 . . . . 111 GLY CA . 18837 1 1199 . 1 1 125 125 GLY N N 15 111.750 0.400 . 1 . . . . 111 GLY N . 18837 1 1200 . 1 1 126 126 THR H H 1 8.943 0.020 . 1 . . . . 112 THR H . 18837 1 1201 . 1 1 126 126 THR HA H 1 4.704 0.020 . 1 . . . . 112 THR HA . 18837 1 1202 . 1 1 126 126 THR HB H 1 3.869 0.020 . 1 . . . . 112 THR HB . 18837 1 1203 . 1 1 126 126 THR HG21 H 1 1.139 0.020 . 1 . . . . 112 THR HG2 . 18837 1 1204 . 1 1 126 126 THR HG22 H 1 1.139 0.020 . 1 . . . . 112 THR HG2 . 18837 1 1205 . 1 1 126 126 THR HG23 H 1 1.139 0.020 . 1 . . . . 112 THR HG2 . 18837 1 1206 . 1 1 126 126 THR C C 13 171.774 0.400 . 1 . . . . 112 THR C . 18837 1 1207 . 1 1 126 126 THR CA C 13 60.739 0.400 . 1 . . . . 112 THR CA . 18837 1 1208 . 1 1 126 126 THR CB C 13 70.854 0.400 . 1 . . . . 112 THR CB . 18837 1 1209 . 1 1 126 126 THR CG2 C 13 20.233 0.400 . 1 . . . . 112 THR CG2 . 18837 1 1210 . 1 1 126 126 THR N N 15 117.265 0.400 . 1 . . . . 112 THR N . 18837 1 1211 . 1 1 127 127 GLN H H 1 8.499 0.020 . 1 . . . . 113 GLN H . 18837 1 1212 . 1 1 127 127 GLN HA H 1 4.589 0.020 . 1 . . . . 113 GLN HA . 18837 1 1213 . 1 1 127 127 GLN HB2 H 1 2.196 0.020 . 2 . . . . 113 GLN HB2 . 18837 1 1214 . 1 1 127 127 GLN HB3 H 1 2.005 0.020 . 2 . . . . 113 GLN HB3 . 18837 1 1215 . 1 1 127 127 GLN HE21 H 1 6.853 0.020 . 2 . . . . 113 GLN HE21 . 18837 1 1216 . 1 1 127 127 GLN HE22 H 1 6.740 0.020 . 2 . . . . 113 GLN HE22 . 18837 1 1217 . 1 1 127 127 GLN C C 13 175.614 0.400 . 1 . . . . 113 GLN C . 18837 1 1218 . 1 1 127 127 GLN CA C 13 56.930 0.400 . 1 . . . . 113 GLN CA . 18837 1 1219 . 1 1 127 127 GLN CB C 13 29.857 0.400 . 1 . . . . 113 GLN CB . 18837 1 1220 . 1 1 127 127 GLN N N 15 131.138 0.400 . 1 . . . . 113 GLN N . 18837 1 1221 . 1 1 127 127 GLN NE2 N 15 111.718 0.400 . 1 . . . . 113 GLN NE2 . 18837 1 1222 . 1 1 128 128 VAL H H 1 8.821 0.020 . 1 . . . . 114 VAL H . 18837 1 1223 . 1 1 128 128 VAL HA H 1 4.608 0.020 . 1 . . . . 114 VAL HA . 18837 1 1224 . 1 1 128 128 VAL HB H 1 2.457 0.020 . 1 . . . . 114 VAL HB . 18837 1 1225 . 1 1 128 128 VAL HG11 H 1 0.652 0.020 . 2 . . . . 114 VAL HG1 . 18837 1 1226 . 1 1 128 128 VAL HG12 H 1 0.652 0.020 . 2 . . . . 114 VAL HG1 . 18837 1 1227 . 1 1 128 128 VAL HG13 H 1 0.652 0.020 . 2 . . . . 114 VAL HG1 . 18837 1 1228 . 1 1 128 128 VAL HG21 H 1 0.605 0.020 . 2 . . . . 114 VAL HG2 . 18837 1 1229 . 1 1 128 128 VAL HG22 H 1 0.605 0.020 . 2 . . . . 114 VAL HG2 . 18837 1 1230 . 1 1 128 128 VAL HG23 H 1 0.605 0.020 . 2 . . . . 114 VAL HG2 . 18837 1 1231 . 1 1 128 128 VAL C C 13 174.927 0.400 . 1 . . . . 114 VAL C . 18837 1 1232 . 1 1 128 128 VAL CA C 13 62.038 0.400 . 1 . . . . 114 VAL CA . 18837 1 1233 . 1 1 128 128 VAL CB C 13 34.290 0.400 . 1 . . . . 114 VAL CB . 18837 1 1234 . 1 1 128 128 VAL CG1 C 13 20.163 0.400 . 1 . . . . 114 VAL CG1 . 18837 1 1235 . 1 1 128 128 VAL CG2 C 13 22.893 0.400 . 1 . . . . 114 VAL CG2 . 18837 1 1236 . 1 1 128 128 VAL N N 15 128.417 0.400 . 1 . . . . 114 VAL N . 18837 1 1237 . 1 1 129 129 THR H H 1 8.627 0.020 . 1 . . . . 115 THR H . 18837 1 1238 . 1 1 129 129 THR HA H 1 4.663 0.020 . 1 . . . . 115 THR HA . 18837 1 1239 . 1 1 129 129 THR HB H 1 3.981 0.020 . 1 . . . . 115 THR HB . 18837 1 1240 . 1 1 129 129 THR HG21 H 1 1.172 0.020 . 1 . . . . 115 THR HG2 . 18837 1 1241 . 1 1 129 129 THR HG22 H 1 1.172 0.020 . 1 . . . . 115 THR HG2 . 18837 1 1242 . 1 1 129 129 THR HG23 H 1 1.172 0.020 . 1 . . . . 115 THR HG2 . 18837 1 1243 . 1 1 129 129 THR C C 13 172.244 0.400 . 1 . . . . 115 THR C . 18837 1 1244 . 1 1 129 129 THR CA C 13 62.046 0.400 . 1 . . . . 115 THR CA . 18837 1 1245 . 1 1 129 129 THR CB C 13 70.609 0.400 . 1 . . . . 115 THR CB . 18837 1 1246 . 1 1 129 129 THR CG2 C 13 22.069 0.400 . 1 . . . . 115 THR CG2 . 18837 1 1247 . 1 1 129 129 THR N N 15 124.838 0.400 . 1 . . . . 115 THR N . 18837 1 1248 . 1 1 130 130 VAL H H 1 8.481 0.020 . 1 . . . . 116 VAL H . 18837 1 1249 . 1 1 130 130 VAL HA H 1 4.837 0.020 . 1 . . . . 116 VAL HA . 18837 1 1250 . 1 1 130 130 VAL HB H 1 1.872 0.020 . 1 . . . . 116 VAL HB . 18837 1 1251 . 1 1 130 130 VAL HG11 H 1 0.656 0.020 . 2 . . . . 116 VAL HG1 . 18837 1 1252 . 1 1 130 130 VAL HG12 H 1 0.656 0.020 . 2 . . . . 116 VAL HG1 . 18837 1 1253 . 1 1 130 130 VAL HG13 H 1 0.656 0.020 . 2 . . . . 116 VAL HG1 . 18837 1 1254 . 1 1 130 130 VAL HG21 H 1 0.470 0.020 . 2 . . . . 116 VAL HG2 . 18837 1 1255 . 1 1 130 130 VAL HG22 H 1 0.470 0.020 . 2 . . . . 116 VAL HG2 . 18837 1 1256 . 1 1 130 130 VAL HG23 H 1 0.470 0.020 . 2 . . . . 116 VAL HG2 . 18837 1 1257 . 1 1 130 130 VAL C C 13 175.812 0.400 . 1 . . . . 116 VAL C . 18837 1 1258 . 1 1 130 130 VAL CA C 13 60.102 0.400 . 1 . . . . 116 VAL CA . 18837 1 1259 . 1 1 130 130 VAL CB C 13 32.549 0.400 . 1 . . . . 116 VAL CB . 18837 1 1260 . 1 1 130 130 VAL CG1 C 13 21.095 0.400 . 1 . . . . 116 VAL CG1 . 18837 1 1261 . 1 1 130 130 VAL CG2 C 13 20.302 0.400 . 1 . . . . 116 VAL CG2 . 18837 1 1262 . 1 1 130 130 VAL N N 15 128.646 0.400 . 1 . . . . 116 VAL N . 18837 1 1263 . 1 1 131 131 SER H H 1 8.550 0.020 . 1 . . . . 117 SER H . 18837 1 1264 . 1 1 131 131 SER HA H 1 4.636 0.020 . 1 . . . . 117 SER HA . 18837 1 1265 . 1 1 131 131 SER HB2 H 1 3.870 0.020 . 2 . . . . 117 SER HB2 . 18837 1 1266 . 1 1 131 131 SER HB3 H 1 3.870 0.020 . 2 . . . . 117 SER HB3 . 18837 1 1267 . 1 1 131 131 SER C C 13 173.199 0.400 . 1 . . . . 117 SER C . 18837 1 1268 . 1 1 131 131 SER CA C 13 57.868 0.400 . 1 . . . . 117 SER CA . 18837 1 1269 . 1 1 131 131 SER CB C 13 65.052 0.400 . 1 . . . . 117 SER CB . 18837 1 1270 . 1 1 131 131 SER N N 15 122.865 0.400 . 1 . . . . 117 SER N . 18837 1 1271 . 1 1 132 132 SER H H 1 8.154 0.020 . 1 . . . . 118 SER H . 18837 1 1272 . 1 1 132 132 SER HA H 1 4.310 0.020 . 1 . . . . 118 SER HA . 18837 1 1273 . 1 1 132 132 SER HB2 H 1 3.867 0.020 . 2 . . . . 118 SER HB2 . 18837 1 1274 . 1 1 132 132 SER HB3 H 1 3.867 0.020 . 2 . . . . 118 SER HB3 . 18837 1 1275 . 1 1 132 132 SER CA C 13 60.632 0.400 . 1 . . . . 118 SER CA . 18837 1 1276 . 1 1 132 132 SER CB C 13 64.915 0.400 . 1 . . . . 118 SER CB . 18837 1 1277 . 1 1 132 132 SER N N 15 121.756 0.400 . 1 . . . . 118 SER N . 18837 1 stop_ save_