data_16732 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16732 _Entry.Title ; NMR structure of the PASTA domain 1 and 2 of Mycobacterium tuberculosis of PknB ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-02-17 _Entry.Accession_date 2010-02-17 _Entry.Last_release_date 2010-02-17 _Entry.Original_release_date 2010-02-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.0.9.13 _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.ORCID _Entry_author.Entry_ID 1 Philippe Barthe . . . . 16732 2 Martin Cohen-Gonsaud . . . . 16732 3 Christian Roumestand . . . . 16732 4 Galina Mukamolova . . . . 16732 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 16732 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID STPK . 16732 'external domain' . 16732 kinase . 16732 resuscitation . 16732 signaling . 16732 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16732 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 392 16732 '15N chemical shifts' 146 16732 '1H chemical shifts' 908 16732 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 . . 2010-05-18 . original BMRB . 16732 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16733 'PASTA domain 2 and 3 of PknB' 16732 BMRB 16734 'PASTA domain 3 and 4 of PknB' 16732 PDB 2KUD 'BMRB Entry Tracking System' 16732 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16732 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20462494 _Citation.Full_citation . _Citation.Title ; The structure of PknB extracellular PASTA domain from mycobacterium tuberculosis suggests a ligand-dependent kinase activation. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Structure (Cambridge, MA, U. S.)' _Citation.Journal_name_full 'Structure (Cambridge, MA, United States)' _Citation.Journal_volume 18 _Citation.Journal_issue 5 _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 606 _Citation.Page_last 615 _Citation.Year 2010 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Philippe Barthe . . . . 16732 1 2 Galina Mukamolova . V. . . 16732 1 3 Christian Roumestand . . . . 16732 1 4 Martin Cohen-Gonsaud . . . . 16732 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16732 _Assembly.ID 1 _Assembly.Name PknB_PASTA12 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $PknB_PASTA12 A . yes native no no . . . 16732 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PknB_PASTA12 _Entity.Sf_category entity _Entity.Sf_framecode PknB_PASTA12 _Entity.Entry_ID 16732 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PknB_PASTA12 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHMGITRDVQVPDVRGQSSA DAIATLQNRGFKIRTLQKPD STIPPDHVIGTDPAANTSVS AGDEITVNVSTGPEQREIPD VSTLTYAEAVKKLTAAGFGR FKQANSPSTPELVGKVIGTN PPANQTSAITNVVIIIVGSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 140 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'PASTA domains 1 and 2' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14203.956 _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 . GLY . 16732 1 2 . HIS . 16732 1 3 . MET . 16732 1 4 . GLY . 16732 1 5 . ILE . 16732 1 6 . THR . 16732 1 7 . ARG . 16732 1 8 . ASP . 16732 1 9 . VAL . 16732 1 10 . GLN . 16732 1 11 . VAL . 16732 1 12 . PRO . 16732 1 13 . ASP . 16732 1 14 . VAL . 16732 1 15 . ARG . 16732 1 16 . GLY . 16732 1 17 . GLN . 16732 1 18 . SER . 16732 1 19 . SER . 16732 1 20 . ALA . 16732 1 21 . ASP . 16732 1 22 . ALA . 16732 1 23 . ILE . 16732 1 24 . ALA . 16732 1 25 . THR . 16732 1 26 . LEU . 16732 1 27 . GLN . 16732 1 28 . ASN . 16732 1 29 . ARG . 16732 1 30 . GLY . 16732 1 31 . PHE . 16732 1 32 . LYS . 16732 1 33 . ILE . 16732 1 34 . ARG . 16732 1 35 . THR . 16732 1 36 . LEU . 16732 1 37 . GLN . 16732 1 38 . LYS . 16732 1 39 . PRO . 16732 1 40 . ASP . 16732 1 41 . SER . 16732 1 42 . THR . 16732 1 43 . ILE . 16732 1 44 . PRO . 16732 1 45 . PRO . 16732 1 46 . ASP . 16732 1 47 . HIS . 16732 1 48 . VAL . 16732 1 49 . ILE . 16732 1 50 . GLY . 16732 1 51 . THR . 16732 1 52 . ASP . 16732 1 53 . PRO . 16732 1 54 . ALA . 16732 1 55 . ALA . 16732 1 56 . ASN . 16732 1 57 . THR . 16732 1 58 . SER . 16732 1 59 . VAL . 16732 1 60 . SER . 16732 1 61 . ALA . 16732 1 62 . GLY . 16732 1 63 . ASP . 16732 1 64 . GLU . 16732 1 65 . ILE . 16732 1 66 . THR . 16732 1 67 . VAL . 16732 1 68 . ASN . 16732 1 69 . VAL . 16732 1 70 . SER . 16732 1 71 . THR . 16732 1 72 . GLY . 16732 1 73 . PRO . 16732 1 74 . GLU . 16732 1 75 . GLN . 16732 1 76 . ARG . 16732 1 77 . GLU . 16732 1 78 . ILE . 16732 1 79 . PRO . 16732 1 80 . ASP . 16732 1 81 . VAL . 16732 1 82 . SER . 16732 1 83 . THR . 16732 1 84 . LEU . 16732 1 85 . THR . 16732 1 86 . TYR . 16732 1 87 . ALA . 16732 1 88 . GLU . 16732 1 89 . ALA . 16732 1 90 . VAL . 16732 1 91 . LYS . 16732 1 92 . LYS . 16732 1 93 . LEU . 16732 1 94 . THR . 16732 1 95 . ALA . 16732 1 96 . ALA . 16732 1 97 . GLY . 16732 1 98 . PHE . 16732 1 99 . GLY . 16732 1 100 . ARG . 16732 1 101 . PHE . 16732 1 102 . LYS . 16732 1 103 . GLN . 16732 1 104 . ALA . 16732 1 105 . ASN . 16732 1 106 . SER . 16732 1 107 . PRO . 16732 1 108 . SER . 16732 1 109 . THR . 16732 1 110 . PRO . 16732 1 111 . GLU . 16732 1 112 . LEU . 16732 1 113 . VAL . 16732 1 114 . GLY . 16732 1 115 . LYS . 16732 1 116 . VAL . 16732 1 117 . ILE . 16732 1 118 . GLY . 16732 1 119 . THR . 16732 1 120 . ASN . 16732 1 121 . PRO . 16732 1 122 . PRO . 16732 1 123 . ALA . 16732 1 124 . ASN . 16732 1 125 . GLN . 16732 1 126 . THR . 16732 1 127 . SER . 16732 1 128 . ALA . 16732 1 129 . ILE . 16732 1 130 . THR . 16732 1 131 . ASN . 16732 1 132 . VAL . 16732 1 133 . VAL . 16732 1 134 . ILE . 16732 1 135 . ILE . 16732 1 136 . ILE . 16732 1 137 . VAL . 16732 1 138 . GLY . 16732 1 139 . SER . 16732 1 140 . GLY . 16732 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 . GLY 1 1 16732 1 . HIS 2 2 16732 1 . MET 3 3 16732 1 . GLY 4 4 16732 1 . ILE 5 5 16732 1 . THR 6 6 16732 1 . ARG 7 7 16732 1 . ASP 8 8 16732 1 . VAL 9 9 16732 1 . GLN 10 10 16732 1 . VAL 11 11 16732 1 . PRO 12 12 16732 1 . ASP 13 13 16732 1 . VAL 14 14 16732 1 . ARG 15 15 16732 1 . GLY 16 16 16732 1 . GLN 17 17 16732 1 . SER 18 18 16732 1 . SER 19 19 16732 1 . ALA 20 20 16732 1 . ASP 21 21 16732 1 . ALA 22 22 16732 1 . ILE 23 23 16732 1 . ALA 24 24 16732 1 . THR 25 25 16732 1 . LEU 26 26 16732 1 . GLN 27 27 16732 1 . ASN 28 28 16732 1 . ARG 29 29 16732 1 . GLY 30 30 16732 1 . PHE 31 31 16732 1 . LYS 32 32 16732 1 . ILE 33 33 16732 1 . ARG 34 34 16732 1 . THR 35 35 16732 1 . LEU 36 36 16732 1 . GLN 37 37 16732 1 . LYS 38 38 16732 1 . PRO 39 39 16732 1 . ASP 40 40 16732 1 . SER 41 41 16732 1 . THR 42 42 16732 1 . ILE 43 43 16732 1 . PRO 44 44 16732 1 . PRO 45 45 16732 1 . ASP 46 46 16732 1 . HIS 47 47 16732 1 . VAL 48 48 16732 1 . ILE 49 49 16732 1 . GLY 50 50 16732 1 . THR 51 51 16732 1 . ASP 52 52 16732 1 . PRO 53 53 16732 1 . ALA 54 54 16732 1 . ALA 55 55 16732 1 . ASN 56 56 16732 1 . THR 57 57 16732 1 . SER 58 58 16732 1 . VAL 59 59 16732 1 . SER 60 60 16732 1 . ALA 61 61 16732 1 . GLY 62 62 16732 1 . ASP 63 63 16732 1 . GLU 64 64 16732 1 . ILE 65 65 16732 1 . THR 66 66 16732 1 . VAL 67 67 16732 1 . ASN 68 68 16732 1 . VAL 69 69 16732 1 . SER 70 70 16732 1 . THR 71 71 16732 1 . GLY 72 72 16732 1 . PRO 73 73 16732 1 . GLU 74 74 16732 1 . GLN 75 75 16732 1 . ARG 76 76 16732 1 . GLU 77 77 16732 1 . ILE 78 78 16732 1 . PRO 79 79 16732 1 . ASP 80 80 16732 1 . VAL 81 81 16732 1 . SER 82 82 16732 1 . THR 83 83 16732 1 . LEU 84 84 16732 1 . THR 85 85 16732 1 . TYR 86 86 16732 1 . ALA 87 87 16732 1 . GLU 88 88 16732 1 . ALA 89 89 16732 1 . VAL 90 90 16732 1 . LYS 91 91 16732 1 . LYS 92 92 16732 1 . LEU 93 93 16732 1 . THR 94 94 16732 1 . ALA 95 95 16732 1 . ALA 96 96 16732 1 . GLY 97 97 16732 1 . PHE 98 98 16732 1 . GLY 99 99 16732 1 . ARG 100 100 16732 1 . PHE 101 101 16732 1 . LYS 102 102 16732 1 . GLN 103 103 16732 1 . ALA 104 104 16732 1 . ASN 105 105 16732 1 . SER 106 106 16732 1 . PRO 107 107 16732 1 . SER 108 108 16732 1 . THR 109 109 16732 1 . PRO 110 110 16732 1 . GLU 111 111 16732 1 . LEU 112 112 16732 1 . VAL 113 113 16732 1 . GLY 114 114 16732 1 . LYS 115 115 16732 1 . VAL 116 116 16732 1 . ILE 117 117 16732 1 . GLY 118 118 16732 1 . THR 119 119 16732 1 . ASN 120 120 16732 1 . PRO 121 121 16732 1 . PRO 122 122 16732 1 . ALA 123 123 16732 1 . ASN 124 124 16732 1 . GLN 125 125 16732 1 . THR 126 126 16732 1 . SER 127 127 16732 1 . ALA 128 128 16732 1 . ILE 129 129 16732 1 . THR 130 130 16732 1 . ASN 131 131 16732 1 . VAL 132 132 16732 1 . VAL 133 133 16732 1 . ILE 134 134 16732 1 . ILE 135 135 16732 1 . ILE 136 136 16732 1 . VAL 137 137 16732 1 . GLY 138 138 16732 1 . SER 139 139 16732 1 . GLY 140 140 16732 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 16732 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $PknB_PASTA12 . 1773 organism . 'Mycobacterium tuberculosis' 'Mycobacterium tuberculosis' . . Bacteria . Mycobacterium tuberculosis H37Rv . . . . . . . . . . Rv0014c 'Residues 355 to 491' 16732 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 16732 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $PknB_PASTA12 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pET21-TEV . . . 16732 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16732 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PknB_PASTA12 '[U-100% 15N]' . . 1 $PknB_PASTA12 . . 0.6 . . mM 0.1 . . . 16732 1 2 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM 0.1 . . . 16732 1 3 H2O 'natural abundance' . . . . . . 95 . . % 0.1 . . . 16732 1 4 D2O 'natural abundance' . . . . . . 5.0 . . % 0.1 . . . 16732 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16732 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PknB_PASTA12 '[U-100% 13C; U-100% 15N]' . . 1 $PknB_PASTA12 . . 0.6 . . mM 0.1 . . . 16732 2 2 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM 0.1 . . . 16732 2 3 H2O 'natural abundance' . . . . . . 95 . . % 0.1 . . . 16732 2 4 D2O 'natural abundance' . . . . . . 5.0 . . % 0.1 . . . 16732 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16732 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 16732 1 pH 4.6 0.1 pH 16732 1 pressure 1 . atm 16732 1 temperature 283 0.1 K 16732 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16732 _Software.ID 1 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16732 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16732 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16732 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16732 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 16732 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Avance III' . 700 . . . 16732 1 2 spectrometer_2 Bruker 'Avance III' . 500 . . . 16732 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 16732 _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 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16732 1 2 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16732 1 3 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16732 1 4 '3D HN(COCA)CB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16732 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16732 1 6 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16732 1 7 '3D HNCACO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16732 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 16732 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 16732 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 16732 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 16732 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 16732 _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 '3D 1H-15N NOESY' . . . 16732 1 3 '3D HNCA' . . . 16732 1 4 '3D HN(COCA)CB' . . . 16732 1 6 '3D HNCO' . . . 16732 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 4 4 GLY H H 1 8.562 0.001 . 1 . . . . 1 GLY H . 16732 1 2 . 1 1 4 4 GLY HA2 H 1 3.960 0.001 . 2 . . . . 1 GLY HA2 . 16732 1 3 . 1 1 4 4 GLY HA3 H 1 3.960 0.001 . 2 . . . . 1 GLY HA3 . 16732 1 4 . 1 1 4 4 GLY C C 13 173.860 0.01 . 1 . . . . 1 GLY C . 16732 1 5 . 1 1 4 4 GLY CA C 13 45.190 0.01 . 1 . . . . 1 GLY CA . 16732 1 6 . 1 1 4 4 GLY N N 15 110.990 0.01 . 1 . . . . 1 GLY N . 16732 1 7 . 1 1 5 5 ILE H H 1 8.211 0.001 . 1 . . . . 2 ILE H . 16732 1 8 . 1 1 5 5 ILE HA H 1 4.237 0.001 . 1 . . . . 2 ILE HA . 16732 1 9 . 1 1 5 5 ILE HB H 1 1.863 0.001 . 1 . . . . 2 ILE HB . 16732 1 10 . 1 1 5 5 ILE HD11 H 1 0.884 0.001 . 1 . . . . 2 ILE HD11 . 16732 1 11 . 1 1 5 5 ILE HD12 H 1 0.884 0.001 . 1 . . . . 2 ILE HD12 . 16732 1 12 . 1 1 5 5 ILE HD13 H 1 0.884 0.001 . 1 . . . . 2 ILE HD13 . 16732 1 13 . 1 1 5 5 ILE HG12 H 1 1.460 0.001 . 2 . . . . 2 ILE HG12 . 16732 1 14 . 1 1 5 5 ILE HG13 H 1 1.460 0.001 . 2 . . . . 2 ILE HG13 . 16732 1 15 . 1 1 5 5 ILE HG21 H 1 1.182 0.001 . 1 . . . . 2 ILE HG21 . 16732 1 16 . 1 1 5 5 ILE HG22 H 1 1.182 0.001 . 1 . . . . 2 ILE HG22 . 16732 1 17 . 1 1 5 5 ILE HG23 H 1 1.182 0.001 . 1 . . . . 2 ILE HG23 . 16732 1 18 . 1 1 5 5 ILE C C 13 176.710 0.01 . 1 . . . . 2 ILE C . 16732 1 19 . 1 1 5 5 ILE CA C 13 61.350 0.01 . 1 . . . . 2 ILE CA . 16732 1 20 . 1 1 5 5 ILE CB C 13 39.000 0.01 . 1 . . . . 2 ILE CB . 16732 1 21 . 1 1 5 5 ILE N N 15 120.190 0.01 . 1 . . . . 2 ILE N . 16732 1 22 . 1 1 6 6 THR H H 1 8.367 0.001 . 1 . . . . 3 THR H . 16732 1 23 . 1 1 6 6 THR HA H 1 4.343 0.001 . 1 . . . . 3 THR HA . 16732 1 24 . 1 1 6 6 THR HB H 1 4.141 0.001 . 1 . . . . 3 THR HB . 16732 1 25 . 1 1 6 6 THR HG21 H 1 1.180 0.001 . 1 . . . . 3 THR HG21 . 16732 1 26 . 1 1 6 6 THR HG22 H 1 1.180 0.001 . 1 . . . . 3 THR HG22 . 16732 1 27 . 1 1 6 6 THR HG23 H 1 1.180 0.001 . 1 . . . . 3 THR HG23 . 16732 1 28 . 1 1 6 6 THR C C 13 174.120 0.01 . 1 . . . . 3 THR C . 16732 1 29 . 1 1 6 6 THR CA C 13 61.820 0.01 . 1 . . . . 3 THR CA . 16732 1 30 . 1 1 6 6 THR CB C 13 70.140 0.01 . 1 . . . . 3 THR CB . 16732 1 31 . 1 1 6 6 THR N N 15 119.560 0.01 . 1 . . . . 3 THR N . 16732 1 32 . 1 1 7 7 ARG H H 1 8.556 0.001 . 1 . . . . 4 ARG H . 16732 1 33 . 1 1 7 7 ARG HA H 1 4.330 0.001 . 1 . . . . 4 ARG HA . 16732 1 34 . 1 1 7 7 ARG HB2 H 1 1.735 0.001 . 2 . . . . 4 ARG HB2 . 16732 1 35 . 1 1 7 7 ARG HB3 H 1 1.735 0.001 . 2 . . . . 4 ARG HB3 . 16732 1 36 . 1 1 7 7 ARG HD2 H 1 3.165 0.001 . 2 . . . . 4 ARG HD2 . 16732 1 37 . 1 1 7 7 ARG HD3 H 1 3.165 0.001 . 2 . . . . 4 ARG HD3 . 16732 1 38 . 1 1 7 7 ARG HE H 1 7.232 0.001 . 1 . . . . 4 ARG HE . 16732 1 39 . 1 1 7 7 ARG HG2 H 1 1.565 0.001 . 2 . . . . 4 ARG HG2 . 16732 1 40 . 1 1 7 7 ARG HG3 H 1 1.565 0.001 . 2 . . . . 4 ARG HG3 . 16732 1 41 . 1 1 7 7 ARG C C 13 175.170 0.01 . 1 . . . . 4 ARG C . 16732 1 42 . 1 1 7 7 ARG CA C 13 55.790 0.01 . 1 . . . . 4 ARG CA . 16732 1 43 . 1 1 7 7 ARG CB C 13 30.850 0.01 . 1 . . . . 4 ARG CB . 16732 1 44 . 1 1 7 7 ARG N N 15 124.790 0.01 . 1 . . . . 4 ARG N . 16732 1 45 . 1 1 7 7 ARG NE N 15 84.620 0.01 . 1 . . . . 4 ARG NE . 16732 1 46 . 1 1 8 8 ASP H H 1 8.274 0.001 . 1 . . . . 5 ASP H . 16732 1 47 . 1 1 8 8 ASP HA H 1 4.871 0.001 . 1 . . . . 5 ASP HA . 16732 1 48 . 1 1 8 8 ASP HB2 H 1 2.580 0.001 . 2 . . . . 5 ASP HB2 . 16732 1 49 . 1 1 8 8 ASP HB3 H 1 2.580 0.001 . 2 . . . . 5 ASP HB3 . 16732 1 50 . 1 1 8 8 ASP C C 13 175.660 0.01 . 1 . . . . 5 ASP C . 16732 1 51 . 1 1 8 8 ASP CA C 13 53.880 0.01 . 1 . . . . 5 ASP CA . 16732 1 52 . 1 1 8 8 ASP CB C 13 41.340 0.01 . 1 . . . . 5 ASP CB . 16732 1 53 . 1 1 8 8 ASP N N 15 121.490 0.01 . 1 . . . . 5 ASP N . 16732 1 54 . 1 1 9 9 VAL H H 1 8.979 0.001 . 1 . . . . 6 VAL H . 16732 1 55 . 1 1 9 9 VAL HA H 1 4.344 0.001 . 1 . . . . 6 VAL HA . 16732 1 56 . 1 1 9 9 VAL HB H 1 1.971 0.001 . 1 . . . . 6 VAL HB . 16732 1 57 . 1 1 9 9 VAL HG11 H 1 0.879 0.001 . 1 . . . . 6 VAL HG11 . 16732 1 58 . 1 1 9 9 VAL HG12 H 1 0.879 0.001 . 1 . . . . 6 VAL HG12 . 16732 1 59 . 1 1 9 9 VAL HG13 H 1 0.879 0.001 . 1 . . . . 6 VAL HG13 . 16732 1 60 . 1 1 9 9 VAL HG21 H 1 0.830 0.001 . 1 . . . . 6 VAL HG21 . 16732 1 61 . 1 1 9 9 VAL HG22 H 1 0.830 0.001 . 1 . . . . 6 VAL HG22 . 16732 1 62 . 1 1 9 9 VAL HG23 H 1 0.830 0.001 . 1 . . . . 6 VAL HG23 . 16732 1 63 . 1 1 9 9 VAL C C 13 174.600 0.01 . 1 . . . . 6 VAL C . 16732 1 64 . 1 1 9 9 VAL CA C 13 61.060 0.01 . 1 . . . . 6 VAL CA . 16732 1 65 . 1 1 9 9 VAL CB C 13 34.960 0.01 . 1 . . . . 6 VAL CB . 16732 1 66 . 1 1 9 9 VAL N N 15 120.380 0.01 . 1 . . . . 6 VAL N . 16732 1 67 . 1 1 10 10 GLN H H 1 8.487 0.001 . 1 . . . . 7 GLN H . 16732 1 68 . 1 1 10 10 GLN HA H 1 5.037 0.001 . 1 . . . . 7 GLN HA . 16732 1 69 . 1 1 10 10 GLN HB2 H 1 1.915 0.001 . 2 . . . . 7 GLN HB2 . 16732 1 70 . 1 1 10 10 GLN HB3 H 1 1.736 0.001 . 2 . . . . 7 GLN HB3 . 16732 1 71 . 1 1 10 10 GLN HE21 H 1 7.529 0.001 . 2 . . . . 7 GLN HE21 . 16732 1 72 . 1 1 10 10 GLN HE22 H 1 6.812 0.001 . 2 . . . . 7 GLN HE22 . 16732 1 73 . 1 1 10 10 GLN HG2 H 1 2.170 0.001 . 2 . . . . 7 GLN HG2 . 16732 1 74 . 1 1 10 10 GLN HG3 H 1 2.170 0.001 . 2 . . . . 7 GLN HG3 . 16732 1 75 . 1 1 10 10 GLN C C 13 176.920 0.01 . 1 . . . . 7 GLN C . 16732 1 76 . 1 1 10 10 GLN CA C 13 54.770 0.01 . 1 . . . . 7 GLN CA . 16732 1 77 . 1 1 10 10 GLN CB C 13 31.480 0.01 . 1 . . . . 7 GLN CB . 16732 1 78 . 1 1 10 10 GLN N N 15 122.520 0.01 . 1 . . . . 7 GLN N . 16732 1 79 . 1 1 10 10 GLN NE2 N 15 111.990 0.01 . 1 . . . . 7 GLN NE2 . 16732 1 80 . 1 1 11 11 VAL H H 1 8.452 0.001 . 1 . . . . 8 VAL H . 16732 1 81 . 1 1 11 11 VAL HA H 1 3.830 0.001 . 1 . . . . 8 VAL HA . 16732 1 82 . 1 1 11 11 VAL HB H 1 1.988 0.001 . 1 . . . . 8 VAL HB . 16732 1 83 . 1 1 11 11 VAL HG11 H 1 0.804 0.001 . 1 . . . . 8 VAL HG11 . 16732 1 84 . 1 1 11 11 VAL HG12 H 1 0.804 0.001 . 1 . . . . 8 VAL HG12 . 16732 1 85 . 1 1 11 11 VAL HG13 H 1 0.804 0.001 . 1 . . . . 8 VAL HG13 . 16732 1 86 . 1 1 11 11 VAL HG21 H 1 0.662 0.001 . 1 . . . . 8 VAL HG21 . 16732 1 87 . 1 1 11 11 VAL HG22 H 1 0.662 0.001 . 1 . . . . 8 VAL HG22 . 16732 1 88 . 1 1 11 11 VAL HG23 H 1 0.662 0.001 . 1 . . . . 8 VAL HG23 . 16732 1 89 . 1 1 11 11 VAL C C 13 174.980 0.01 . 1 . . . . 8 VAL C . 16732 1 90 . 1 1 11 11 VAL CA C 13 61.390 0.01 . 1 . . . . 8 VAL CA . 16732 1 91 . 1 1 11 11 VAL CB C 13 33.330 0.01 . 1 . . . . 8 VAL CB . 16732 1 92 . 1 1 11 11 VAL N N 15 125.330 0.01 . 1 . . . . 8 VAL N . 16732 1 93 . 1 1 12 12 PRO HA H 1 4.537 0.001 . 1 . . . . 9 PRO HA . 16732 1 94 . 1 1 12 12 PRO HB2 H 1 2.210 0.001 . 2 . . . . 9 PRO HB2 . 16732 1 95 . 1 1 12 12 PRO HB3 H 1 1.778 0.001 . 2 . . . . 9 PRO HB3 . 16732 1 96 . 1 1 12 12 PRO HD2 H 1 4.154 0.001 . 2 . . . . 9 PRO HD2 . 16732 1 97 . 1 1 12 12 PRO HD3 H 1 3.556 0.001 . 2 . . . . 9 PRO HD3 . 16732 1 98 . 1 1 12 12 PRO HG2 H 1 1.862 0.001 . 2 . . . . 9 PRO HG2 . 16732 1 99 . 1 1 12 12 PRO HG3 H 1 1.862 0.001 . 2 . . . . 9 PRO HG3 . 16732 1 100 . 1 1 12 12 PRO C C 13 175.490 0.01 . 1 . . . . 9 PRO C . 16732 1 101 . 1 1 12 12 PRO CA C 13 62.430 0.01 . 1 . . . . 9 PRO CA . 16732 1 102 . 1 1 12 12 PRO CB C 13 31.980 0.01 . 1 . . . . 9 PRO CB . 16732 1 103 . 1 1 13 13 ASP H H 1 8.917 0.001 . 1 . . . . 10 ASP H . 16732 1 104 . 1 1 13 13 ASP HA H 1 4.482 0.001 . 1 . . . . 10 ASP HA . 16732 1 105 . 1 1 13 13 ASP HB2 H 1 2.955 0.001 . 2 . . . . 10 ASP HB2 . 16732 1 106 . 1 1 13 13 ASP HB3 H 1 2.452 0.001 . 2 . . . . 10 ASP HB3 . 16732 1 107 . 1 1 13 13 ASP C C 13 176.990 0.01 . 1 . . . . 10 ASP C . 16732 1 108 . 1 1 13 13 ASP CA C 13 54.250 0.01 . 1 . . . . 10 ASP CA . 16732 1 109 . 1 1 13 13 ASP CB C 13 40.850 0.01 . 1 . . . . 10 ASP CB . 16732 1 110 . 1 1 13 13 ASP N N 15 119.830 0.01 . 1 . . . . 10 ASP N . 16732 1 111 . 1 1 14 14 VAL H H 1 7.352 0.001 . 1 . . . . 11 VAL H . 16732 1 112 . 1 1 14 14 VAL HA H 1 4.605 0.001 . 1 . . . . 11 VAL HA . 16732 1 113 . 1 1 14 14 VAL HB H 1 2.243 0.001 . 1 . . . . 11 VAL HB . 16732 1 114 . 1 1 14 14 VAL HG11 H 1 0.774 0.001 . 1 . . . . 11 VAL HG11 . 16732 1 115 . 1 1 14 14 VAL HG12 H 1 0.774 0.001 . 1 . . . . 11 VAL HG12 . 16732 1 116 . 1 1 14 14 VAL HG13 H 1 0.774 0.001 . 1 . . . . 11 VAL HG13 . 16732 1 117 . 1 1 14 14 VAL HG21 H 1 0.683 0.001 . 1 . . . . 11 VAL HG21 . 16732 1 118 . 1 1 14 14 VAL HG22 H 1 0.683 0.001 . 1 . . . . 11 VAL HG22 . 16732 1 119 . 1 1 14 14 VAL HG23 H 1 0.683 0.001 . 1 . . . . 11 VAL HG23 . 16732 1 120 . 1 1 14 14 VAL C C 13 175.070 0.01 . 1 . . . . 11 VAL C . 16732 1 121 . 1 1 14 14 VAL CA C 13 59.830 0.01 . 1 . . . . 11 VAL CA . 16732 1 122 . 1 1 14 14 VAL CB C 13 31.700 0.01 . 1 . . . . 11 VAL CB . 16732 1 123 . 1 1 14 14 VAL N N 15 118.120 0.01 . 1 . . . . 11 VAL N . 16732 1 124 . 1 1 15 15 ARG H H 1 7.882 0.001 . 1 . . . . 12 ARG H . 16732 1 125 . 1 1 15 15 ARG HA H 1 3.681 0.001 . 1 . . . . 12 ARG HA . 16732 1 126 . 1 1 15 15 ARG HB2 H 1 1.899 0.001 . 2 . . . . 12 ARG HB2 . 16732 1 127 . 1 1 15 15 ARG HB3 H 1 1.806 0.001 . 2 . . . . 12 ARG HB3 . 16732 1 128 . 1 1 15 15 ARG HD2 H 1 3.380 0.001 . 2 . . . . 12 ARG HD2 . 16732 1 129 . 1 1 15 15 ARG HD3 H 1 3.231 0.001 . 2 . . . . 12 ARG HD3 . 16732 1 130 . 1 1 15 15 ARG HE H 1 7.538 0.001 . 1 . . . . 12 ARG HE . 16732 1 131 . 1 1 15 15 ARG HG2 H 1 1.806 0.001 . 2 . . . . 12 ARG HG2 . 16732 1 132 . 1 1 15 15 ARG HG3 H 1 1.757 0.001 . 2 . . . . 12 ARG HG3 . 16732 1 133 . 1 1 15 15 ARG C C 13 178.270 0.01 . 1 . . . . 12 ARG C . 16732 1 134 . 1 1 15 15 ARG CA C 13 58.510 0.01 . 1 . . . . 12 ARG CA . 16732 1 135 . 1 1 15 15 ARG CB C 13 29.280 0.01 . 1 . . . . 12 ARG CB . 16732 1 136 . 1 1 15 15 ARG N N 15 123.630 0.01 . 1 . . . . 12 ARG N . 16732 1 137 . 1 1 15 15 ARG NE N 15 86.340 0.01 . 1 . . . . 12 ARG NE . 16732 1 138 . 1 1 16 16 GLY H H 1 10.136 0.001 . 1 . . . . 13 GLY H . 16732 1 139 . 1 1 16 16 GLY HA2 H 1 4.524 0.001 . 2 . . . . 13 GLY HA2 . 16732 1 140 . 1 1 16 16 GLY HA3 H 1 3.500 0.001 . 2 . . . . 13 GLY HA3 . 16732 1 141 . 1 1 16 16 GLY C C 13 175.070 0.01 . 1 . . . . 13 GLY C . 16732 1 142 . 1 1 16 16 GLY CA C 13 45.180 0.01 . 1 . . . . 13 GLY CA . 16732 1 143 . 1 1 16 16 GLY N N 15 114.800 0.01 . 1 . . . . 13 GLY N . 16732 1 144 . 1 1 17 17 GLN H H 1 7.835 0.001 . 1 . . . . 14 GLN H . 16732 1 145 . 1 1 17 17 GLN HA H 1 4.459 0.001 . 1 . . . . 14 GLN HA . 16732 1 146 . 1 1 17 17 GLN HB2 H 1 1.982 0.001 . 2 . . . . 14 GLN HB2 . 16732 1 147 . 1 1 17 17 GLN HB3 H 1 1.982 0.001 . 2 . . . . 14 GLN HB3 . 16732 1 148 . 1 1 17 17 GLN HE21 H 1 7.452 0.001 . 2 . . . . 14 GLN HE21 . 16732 1 149 . 1 1 17 17 GLN HE22 H 1 6.373 0.001 . 2 . . . . 14 GLN HE22 . 16732 1 150 . 1 1 17 17 GLN HG2 H 1 2.293 0.001 . 2 . . . . 14 GLN HG2 . 16732 1 151 . 1 1 17 17 GLN HG3 H 1 2.344 0.001 . 2 . . . . 14 GLN HG3 . 16732 1 152 . 1 1 17 17 GLN C C 13 177.260 0.01 . 1 . . . . 14 GLN C . 16732 1 153 . 1 1 17 17 GLN CA C 13 56.330 0.01 . 1 . . . . 14 GLN CA . 16732 1 154 . 1 1 17 17 GLN CB C 13 29.850 0.01 . 1 . . . . 14 GLN CB . 16732 1 155 . 1 1 17 17 GLN N N 15 120.940 0.01 . 1 . . . . 14 GLN N . 16732 1 156 . 1 1 17 17 GLN NE2 N 15 108.480 0.01 . 1 . . . . 14 GLN NE2 . 16732 1 157 . 1 1 18 18 SER H H 1 9.605 0.001 . 1 . . . . 15 SER H . 16732 1 158 . 1 1 18 18 SER HA H 1 3.670 0.001 . 1 . . . . 15 SER HA . 16732 1 159 . 1 1 18 18 SER HB2 H 1 4.018 0.001 . 2 . . . . 15 SER HB2 . 16732 1 160 . 1 1 18 18 SER HB3 H 1 3.752 0.001 . 2 . . . . 15 SER HB3 . 16732 1 161 . 1 1 18 18 SER C C 13 175.070 0.01 . 1 . . . . 15 SER C . 16732 1 162 . 1 1 18 18 SER CA C 13 58.700 0.01 . 1 . . . . 15 SER CA . 16732 1 163 . 1 1 18 18 SER CB C 13 63.540 0.01 . 1 . . . . 15 SER CB . 16732 1 164 . 1 1 18 18 SER N N 15 118.300 0.01 . 1 . . . . 15 SER N . 16732 1 165 . 1 1 19 19 SER H H 1 8.315 0.001 . 1 . . . . 16 SER H . 16732 1 166 . 1 1 19 19 SER HA H 1 3.487 0.001 . 1 . . . . 16 SER HA . 16732 1 167 . 1 1 19 19 SER HB2 H 1 4.003 0.001 . 2 . . . . 16 SER HB2 . 16732 1 168 . 1 1 19 19 SER HB3 H 1 3.623 0.001 . 2 . . . . 16 SER HB3 . 16732 1 169 . 1 1 19 19 SER C C 13 175.740 0.01 . 1 . . . . 16 SER C . 16732 1 170 . 1 1 19 19 SER CA C 13 63.140 0.01 . 1 . . . . 16 SER CA . 16732 1 171 . 1 1 19 19 SER CB C 13 61.840 0.01 . 1 . . . . 16 SER CB . 16732 1 172 . 1 1 19 19 SER N N 15 118.980 0.01 . 1 . . . . 16 SER N . 16732 1 173 . 1 1 20 20 ALA H H 1 8.651 0.001 . 1 . . . . 17 ALA H . 16732 1 174 . 1 1 20 20 ALA HA H 1 4.009 0.001 . 1 . . . . 17 ALA HA . 16732 1 175 . 1 1 20 20 ALA HB1 H 1 1.342 0.001 . 1 . . . . 17 ALA HB1 . 16732 1 176 . 1 1 20 20 ALA HB2 H 1 1.342 0.001 . 1 . . . . 17 ALA HB2 . 16732 1 177 . 1 1 20 20 ALA HB3 H 1 1.342 0.001 . 1 . . . . 17 ALA HB3 . 16732 1 178 . 1 1 20 20 ALA C C 13 181.000 0.01 . 1 . . . . 17 ALA C . 16732 1 179 . 1 1 20 20 ALA CA C 13 55.580 0.01 . 1 . . . . 17 ALA CA . 16732 1 180 . 1 1 20 20 ALA CB C 13 18.650 0.01 . 1 . . . . 17 ALA CB . 16732 1 181 . 1 1 20 20 ALA N N 15 122.450 0.01 . 1 . . . . 17 ALA N . 16732 1 182 . 1 1 21 21 ASP H H 1 7.536 0.001 . 1 . . . . 18 ASP H . 16732 1 183 . 1 1 21 21 ASP HA H 1 4.419 0.001 . 1 . . . . 18 ASP HA . 16732 1 184 . 1 1 21 21 ASP HB2 H 1 2.783 0.001 . 2 . . . . 18 ASP HB2 . 16732 1 185 . 1 1 21 21 ASP HB3 H 1 2.722 0.001 . 2 . . . . 18 ASP HB3 . 16732 1 186 . 1 1 21 21 ASP C C 13 178.510 0.01 . 1 . . . . 18 ASP C . 16732 1 187 . 1 1 21 21 ASP CA C 13 57.090 0.01 . 1 . . . . 18 ASP CA . 16732 1 188 . 1 1 21 21 ASP CB C 13 39.850 0.01 . 1 . . . . 18 ASP CB . 16732 1 189 . 1 1 21 21 ASP N N 15 119.470 0.01 . 1 . . . . 18 ASP N . 16732 1 190 . 1 1 22 22 ALA H H 1 8.619 0.001 . 1 . . . . 19 ALA H . 16732 1 191 . 1 1 22 22 ALA HA H 1 3.987 0.001 . 1 . . . . 19 ALA HA . 16732 1 192 . 1 1 22 22 ALA HB1 H 1 1.334 0.001 . 1 . . . . 19 ALA HB1 . 16732 1 193 . 1 1 22 22 ALA HB2 H 1 1.334 0.001 . 1 . . . . 19 ALA HB2 . 16732 1 194 . 1 1 22 22 ALA HB3 H 1 1.334 0.001 . 1 . . . . 19 ALA HB3 . 16732 1 195 . 1 1 22 22 ALA C C 13 179.610 0.01 . 1 . . . . 19 ALA C . 16732 1 196 . 1 1 22 22 ALA CA C 13 55.150 0.01 . 1 . . . . 19 ALA CA . 16732 1 197 . 1 1 22 22 ALA CB C 13 20.850 0.01 . 1 . . . . 19 ALA CB . 16732 1 198 . 1 1 22 22 ALA N N 15 124.170 0.01 . 1 . . . . 19 ALA N . 16732 1 199 . 1 1 23 23 ILE H H 1 8.627 0.001 . 1 . . . . 20 ILE H . 16732 1 200 . 1 1 23 23 ILE HA H 1 3.397 0.001 . 1 . . . . 20 ILE HA . 16732 1 201 . 1 1 23 23 ILE HB H 1 1.823 0.001 . 1 . . . . 20 ILE HB . 16732 1 202 . 1 1 23 23 ILE HD11 H 1 0.718 0.001 . 1 . . . . 20 ILE HD11 . 16732 1 203 . 1 1 23 23 ILE HD12 H 1 0.718 0.001 . 1 . . . . 20 ILE HD12 . 16732 1 204 . 1 1 23 23 ILE HD13 H 1 0.718 0.001 . 1 . . . . 20 ILE HD13 . 16732 1 205 . 1 1 23 23 ILE HG12 H 1 1.742 0.001 . 2 . . . . 20 ILE HG12 . 16732 1 206 . 1 1 23 23 ILE HG13 H 1 1.527 0.001 . 2 . . . . 20 ILE HG13 . 16732 1 207 . 1 1 23 23 ILE HG21 H 1 0.817 0.001 . 1 . . . . 20 ILE HG21 . 16732 1 208 . 1 1 23 23 ILE HG22 H 1 0.817 0.001 . 1 . . . . 20 ILE HG22 . 16732 1 209 . 1 1 23 23 ILE HG23 H 1 0.817 0.001 . 1 . . . . 20 ILE HG23 . 16732 1 210 . 1 1 23 23 ILE C C 13 177.560 0.01 . 1 . . . . 20 ILE C . 16732 1 211 . 1 1 23 23 ILE CA C 13 66.550 0.01 . 1 . . . . 20 ILE CA . 16732 1 212 . 1 1 23 23 ILE CB C 13 38.220 0.01 . 1 . . . . 20 ILE CB . 16732 1 213 . 1 1 23 23 ILE N N 15 117.710 0.01 . 1 . . . . 20 ILE N . 16732 1 214 . 1 1 24 24 ALA H H 1 7.720 0.001 . 1 . . . . 21 ALA H . 16732 1 215 . 1 1 24 24 ALA HA H 1 4.205 0.001 . 1 . . . . 21 ALA HA . 16732 1 216 . 1 1 24 24 ALA HB1 H 1 1.518 0.001 . 1 . . . . 21 ALA HB1 . 16732 1 217 . 1 1 24 24 ALA HB2 H 1 1.518 0.001 . 1 . . . . 21 ALA HB2 . 16732 1 218 . 1 1 24 24 ALA HB3 H 1 1.518 0.001 . 1 . . . . 21 ALA HB3 . 16732 1 219 . 1 1 24 24 ALA C C 13 180.490 0.01 . 1 . . . . 21 ALA C . 16732 1 220 . 1 1 24 24 ALA CA C 13 55.670 0.01 . 1 . . . . 21 ALA CA . 16732 1 221 . 1 1 24 24 ALA CB C 13 18.080 0.01 . 1 . . . . 21 ALA CB . 16732 1 222 . 1 1 24 24 ALA N N 15 121.810 0.01 . 1 . . . . 21 ALA N . 16732 1 223 . 1 1 25 25 THR H H 1 8.251 0.001 . 1 . . . . 22 THR H . 16732 1 224 . 1 1 25 25 THR HA H 1 4.359 0.001 . 1 . . . . 22 THR HA . 16732 1 225 . 1 1 25 25 THR HB H 1 3.908 0.001 . 1 . . . . 22 THR HB . 16732 1 226 . 1 1 25 25 THR HG21 H 1 1.109 0.001 . 1 . . . . 22 THR HG21 . 16732 1 227 . 1 1 25 25 THR HG22 H 1 1.109 0.001 . 1 . . . . 22 THR HG22 . 16732 1 228 . 1 1 25 25 THR HG23 H 1 1.109 0.001 . 1 . . . . 22 THR HG23 . 16732 1 229 . 1 1 25 25 THR C C 13 176.880 0.01 . 1 . . . . 22 THR C . 16732 1 230 . 1 1 25 25 THR CA C 13 66.970 0.01 . 1 . . . . 22 THR CA . 16732 1 231 . 1 1 25 25 THR CB C 13 68.860 0.01 . 1 . . . . 22 THR CB . 16732 1 232 . 1 1 25 25 THR N N 15 116.450 0.01 . 1 . . . . 22 THR N . 16732 1 233 . 1 1 26 26 LEU H H 1 8.272 0.001 . 1 . . . . 23 LEU H . 16732 1 234 . 1 1 26 26 LEU HA H 1 4.561 0.001 . 1 . . . . 23 LEU HA . 16732 1 235 . 1 1 26 26 LEU HB2 H 1 2.000 0.001 . 2 . . . . 23 LEU HB2 . 16732 1 236 . 1 1 26 26 LEU HB3 H 1 1.862 0.001 . 2 . . . . 23 LEU HB3 . 16732 1 237 . 1 1 26 26 LEU HD11 H 1 0.791 0.001 . 1 . . . . 23 LEU HD11 . 16732 1 238 . 1 1 26 26 LEU HD12 H 1 0.791 0.001 . 1 . . . . 23 LEU HD12 . 16732 1 239 . 1 1 26 26 LEU HD13 H 1 0.791 0.001 . 1 . . . . 23 LEU HD13 . 16732 1 240 . 1 1 26 26 LEU HD21 H 1 0.658 0.001 . 1 . . . . 23 LEU HD21 . 16732 1 241 . 1 1 26 26 LEU HD22 H 1 0.658 0.001 . 1 . . . . 23 LEU HD22 . 16732 1 242 . 1 1 26 26 LEU HD23 H 1 0.658 0.001 . 1 . . . . 23 LEU HD23 . 16732 1 243 . 1 1 26 26 LEU HG H 1 1.234 0.001 . 1 . . . . 23 LEU HG . 16732 1 244 . 1 1 26 26 LEU C C 13 179.670 0.01 . 1 . . . . 23 LEU C . 16732 1 245 . 1 1 26 26 LEU CA C 13 58.560 0.01 . 1 . . . . 23 LEU CA . 16732 1 246 . 1 1 26 26 LEU CB C 13 42.330 0.01 . 1 . . . . 23 LEU CB . 16732 1 247 . 1 1 26 26 LEU N N 15 120.570 0.01 . 1 . . . . 23 LEU N . 16732 1 248 . 1 1 27 27 GLN H H 1 9.246 0.001 . 1 . . . . 24 GLN H . 16732 1 249 . 1 1 27 27 GLN HA H 1 4.377 0.001 . 1 . . . . 24 GLN HA . 16732 1 250 . 1 1 27 27 GLN HB2 H 1 2.284 0.001 . 2 . . . . 24 GLN HB2 . 16732 1 251 . 1 1 27 27 GLN HB3 H 1 2.039 0.001 . 2 . . . . 24 GLN HB3 . 16732 1 252 . 1 1 27 27 GLN HE21 H 1 7.272 0.001 . 2 . . . . 24 GLN HE21 . 16732 1 253 . 1 1 27 27 GLN HE22 H 1 6.878 0.001 . 2 . . . . 24 GLN HE22 . 16732 1 254 . 1 1 27 27 GLN HG2 H 1 2.665 0.001 . 2 . . . . 24 GLN HG2 . 16732 1 255 . 1 1 27 27 GLN HG3 H 1 2.345 0.001 . 2 . . . . 24 GLN HG3 . 16732 1 256 . 1 1 27 27 GLN C C 13 181.310 0.01 . 1 . . . . 24 GLN C . 16732 1 257 . 1 1 27 27 GLN CA C 13 59.500 0.01 . 1 . . . . 24 GLN CA . 16732 1 258 . 1 1 27 27 GLN CB C 13 28.430 0.01 . 1 . . . . 24 GLN CB . 16732 1 259 . 1 1 27 27 GLN N N 15 120.310 0.01 . 1 . . . . 24 GLN N . 16732 1 260 . 1 1 27 27 GLN NE2 N 15 111.040 0.01 . 1 . . . . 24 GLN NE2 . 16732 1 261 . 1 1 28 28 ASN H H 1 8.576 0.001 . 1 . . . . 25 ASN H . 16732 1 262 . 1 1 28 28 ASN HA H 1 4.543 0.001 . 1 . . . . 25 ASN HA . 16732 1 263 . 1 1 28 28 ASN HB2 H 1 3.060 0.001 . 2 . . . . 25 ASN HB2 . 16732 1 264 . 1 1 28 28 ASN HB3 H 1 2.911 0.001 . 2 . . . . 25 ASN HB3 . 16732 1 265 . 1 1 28 28 ASN HD21 H 1 7.684 0.001 . 2 . . . . 25 ASN HD21 . 16732 1 266 . 1 1 28 28 ASN HD22 H 1 7.040 0.001 . 2 . . . . 25 ASN HD22 . 16732 1 267 . 1 1 28 28 ASN C C 13 176.970 0.01 . 1 . . . . 25 ASN C . 16732 1 268 . 1 1 28 28 ASN CA C 13 56.000 0.01 . 1 . . . . 25 ASN CA . 16732 1 269 . 1 1 28 28 ASN CB C 13 38.500 0.01 . 1 . . . . 25 ASN CB . 16732 1 270 . 1 1 28 28 ASN N N 15 120.410 0.01 . 1 . . . . 25 ASN N . 16732 1 271 . 1 1 28 28 ASN ND2 N 15 112.570 0.01 . 1 . . . . 25 ASN ND2 . 16732 1 272 . 1 1 29 29 ARG H H 1 7.347 0.001 . 1 . . . . 26 ARG H . 16732 1 273 . 1 1 29 29 ARG HA H 1 4.346 0.001 . 1 . . . . 26 ARG HA . 16732 1 274 . 1 1 29 29 ARG HB2 H 1 2.047 0.001 . 2 . . . . 26 ARG HB2 . 16732 1 275 . 1 1 29 29 ARG HB3 H 1 1.914 0.001 . 2 . . . . 26 ARG HB3 . 16732 1 276 . 1 1 29 29 ARG HD2 H 1 3.331 0.001 . 2 . . . . 26 ARG HD2 . 16732 1 277 . 1 1 29 29 ARG HD3 H 1 3.165 0.001 . 2 . . . . 26 ARG HD3 . 16732 1 278 . 1 1 29 29 ARG HE H 1 7.434 0.001 . 1 . . . . 26 ARG HE . 16732 1 279 . 1 1 29 29 ARG HG2 H 1 1.964 0.001 . 2 . . . . 26 ARG HG2 . 16732 1 280 . 1 1 29 29 ARG HG3 H 1 1.794 0.001 . 2 . . . . 26 ARG HG3 . 16732 1 281 . 1 1 29 29 ARG C C 13 176.160 0.01 . 1 . . . . 26 ARG C . 16732 1 282 . 1 1 29 29 ARG CA C 13 54.960 0.01 . 1 . . . . 26 ARG CA . 16732 1 283 . 1 1 29 29 ARG CB C 13 30.770 0.01 . 1 . . . . 26 ARG CB . 16732 1 284 . 1 1 29 29 ARG N N 15 116.220 0.01 . 1 . . . . 26 ARG N . 16732 1 285 . 1 1 29 29 ARG NE N 15 83.940 0.01 . 1 . . . . 26 ARG NE . 16732 1 286 . 1 1 30 30 GLY H H 1 7.887 0.001 . 1 . . . . 27 GLY H . 16732 1 287 . 1 1 30 30 GLY HA2 H 1 4.033 0.001 . 2 . . . . 27 GLY HA2 . 16732 1 288 . 1 1 30 30 GLY HA3 H 1 3.648 0.001 . 2 . . . . 27 GLY HA3 . 16732 1 289 . 1 1 30 30 GLY C C 13 174.680 0.01 . 1 . . . . 27 GLY C . 16732 1 290 . 1 1 30 30 GLY CA C 13 45.270 0.01 . 1 . . . . 27 GLY CA . 16732 1 291 . 1 1 30 30 GLY N N 15 106.910 0.01 . 1 . . . . 27 GLY N . 16732 1 292 . 1 1 31 31 PHE H H 1 7.476 0.001 . 1 . . . . 28 PHE H . 16732 1 293 . 1 1 31 31 PHE HA H 1 4.565 0.001 . 1 . . . . 28 PHE HA . 16732 1 294 . 1 1 31 31 PHE HB2 H 1 3.452 0.001 . 2 . . . . 28 PHE HB2 . 16732 1 295 . 1 1 31 31 PHE HB3 H 1 2.372 0.001 . 2 . . . . 28 PHE HB3 . 16732 1 296 . 1 1 31 31 PHE HD1 H 1 7.585 0.001 . 3 . . . . 28 PHE HD1 . 16732 1 297 . 1 1 31 31 PHE HD2 H 1 7.585 0.001 . 3 . . . . 28 PHE HD2 . 16732 1 298 . 1 1 31 31 PHE HE1 H 1 7.156 0.001 . 3 . . . . 28 PHE HE1 . 16732 1 299 . 1 1 31 31 PHE HE2 H 1 7.156 0.001 . 3 . . . . 28 PHE HE2 . 16732 1 300 . 1 1 31 31 PHE HZ H 1 6.900 0.001 . 1 . . . . 28 PHE HZ . 16732 1 301 . 1 1 31 31 PHE C C 13 175.890 0.01 . 1 . . . . 28 PHE C . 16732 1 302 . 1 1 31 31 PHE CA C 13 59.080 0.01 . 1 . . . . 28 PHE CA . 16732 1 303 . 1 1 31 31 PHE CB C 13 39.500 0.01 . 1 . . . . 28 PHE CB . 16732 1 304 . 1 1 31 31 PHE N N 15 118.200 0.01 . 1 . . . . 28 PHE N . 16732 1 305 . 1 1 32 32 LYS H H 1 7.864 0.001 . 1 . . . . 29 LYS H . 16732 1 306 . 1 1 32 32 LYS HA H 1 4.632 0.001 . 1 . . . . 29 LYS HA . 16732 1 307 . 1 1 32 32 LYS HB2 H 1 1.980 0.001 . 2 . . . . 29 LYS HB2 . 16732 1 308 . 1 1 32 32 LYS HB3 H 1 1.855 0.001 . 2 . . . . 29 LYS HB3 . 16732 1 309 . 1 1 32 32 LYS HD2 H 1 1.717 0.001 . 2 . . . . 29 LYS HD2 . 16732 1 310 . 1 1 32 32 LYS HE2 H 1 3.030 0.001 . 2 . . . . 29 LYS HE2 . 16732 1 311 . 1 1 32 32 LYS HG2 H 1 1.456 0.001 . 2 . . . . 29 LYS HG2 . 16732 1 312 . 1 1 32 32 LYS HG3 H 1 1.380 0.001 . 2 . . . . 29 LYS HG3 . 16732 1 313 . 1 1 32 32 LYS C C 13 176.020 0.01 . 1 . . . . 29 LYS C . 16732 1 314 . 1 1 32 32 LYS CA C 13 55.290 0.01 . 1 . . . . 29 LYS CA . 16732 1 315 . 1 1 32 32 LYS CB C 13 34.110 0.01 . 1 . . . . 29 LYS CB . 16732 1 316 . 1 1 32 32 LYS N N 15 120.820 0.01 . 1 . . . . 29 LYS N . 16732 1 317 . 1 1 33 33 ILE H H 1 8.614 0.001 . 1 . . . . 30 ILE H . 16732 1 318 . 1 1 33 33 ILE HA H 1 5.186 0.001 . 1 . . . . 30 ILE HA . 16732 1 319 . 1 1 33 33 ILE HB H 1 1.880 0.001 . 1 . . . . 30 ILE HB . 16732 1 320 . 1 1 33 33 ILE HD11 H 1 0.745 0.001 . 1 . . . . 30 ILE HD11 . 16732 1 321 . 1 1 33 33 ILE HD12 H 1 0.745 0.001 . 1 . . . . 30 ILE HD12 . 16732 1 322 . 1 1 33 33 ILE HD13 H 1 0.745 0.001 . 1 . . . . 30 ILE HD13 . 16732 1 323 . 1 1 33 33 ILE HG12 H 1 1.440 0.001 . 2 . . . . 30 ILE HG12 . 16732 1 324 . 1 1 33 33 ILE HG13 H 1 1.310 0.001 . 2 . . . . 30 ILE HG13 . 16732 1 325 . 1 1 33 33 ILE HG21 H 1 0.769 0.001 . 1 . . . . 30 ILE HG21 . 16732 1 326 . 1 1 33 33 ILE HG22 H 1 0.769 0.001 . 1 . . . . 30 ILE HG22 . 16732 1 327 . 1 1 33 33 ILE HG23 H 1 0.769 0.001 . 1 . . . . 30 ILE HG23 . 16732 1 328 . 1 1 33 33 ILE C C 13 176.350 0.01 . 1 . . . . 30 ILE C . 16732 1 329 . 1 1 33 33 ILE CA C 13 59.170 0.01 . 1 . . . . 30 ILE CA . 16732 1 330 . 1 1 33 33 ILE CB C 13 41.480 0.01 . 1 . . . . 30 ILE CB . 16732 1 331 . 1 1 33 33 ILE N N 15 119.650 0.01 . 1 . . . . 30 ILE N . 16732 1 332 . 1 1 34 34 ARG H H 1 8.502 0.001 . 1 . . . . 31 ARG H . 16732 1 333 . 1 1 34 34 ARG HA H 1 4.663 0.001 . 1 . . . . 31 ARG HA . 16732 1 334 . 1 1 34 34 ARG HB2 H 1 1.792 0.001 . 2 . . . . 31 ARG HB2 . 16732 1 335 . 1 1 34 34 ARG HB3 H 1 1.759 0.001 . 2 . . . . 31 ARG HB3 . 16732 1 336 . 1 1 34 34 ARG HD2 H 1 3.100 0.001 . 2 . . . . 31 ARG HD2 . 16732 1 337 . 1 1 34 34 ARG HD3 H 1 3.100 0.001 . 2 . . . . 31 ARG HD3 . 16732 1 338 . 1 1 34 34 ARG HE H 1 7.155 0.001 . 1 . . . . 31 ARG HE . 16732 1 339 . 1 1 34 34 ARG HG2 H 1 1.527 0.001 . 2 . . . . 31 ARG HG2 . 16732 1 340 . 1 1 34 34 ARG HG3 H 1 1.376 0.001 . 2 . . . . 31 ARG HG3 . 16732 1 341 . 1 1 34 34 ARG C C 13 174.710 0.01 . 1 . . . . 31 ARG C . 16732 1 342 . 1 1 34 34 ARG CA C 13 55.010 0.01 . 1 . . . . 31 ARG CA . 16732 1 343 . 1 1 34 34 ARG CB C 13 33.540 0.01 . 1 . . . . 31 ARG CB . 16732 1 344 . 1 1 34 34 ARG N N 15 125.950 0.01 . 1 . . . . 31 ARG N . 16732 1 345 . 1 1 34 34 ARG NE N 15 84.490 0.01 . 1 . . . . 31 ARG NE . 16732 1 346 . 1 1 35 35 THR H H 1 8.751 0.001 . 1 . . . . 32 THR H . 16732 1 347 . 1 1 35 35 THR HA H 1 5.222 0.001 . 1 . . . . 32 THR HA . 16732 1 348 . 1 1 35 35 THR HB H 1 4.006 0.001 . 1 . . . . 32 THR HB . 16732 1 349 . 1 1 35 35 THR HG21 H 1 1.025 0.001 . 1 . . . . 32 THR HG21 . 16732 1 350 . 1 1 35 35 THR HG22 H 1 1.025 0.001 . 1 . . . . 32 THR HG22 . 16732 1 351 . 1 1 35 35 THR HG23 H 1 1.025 0.001 . 1 . . . . 32 THR HG23 . 16732 1 352 . 1 1 35 35 THR C C 13 173.900 0.01 . 1 . . . . 32 THR C . 16732 1 353 . 1 1 35 35 THR CA C 13 60.830 0.01 . 1 . . . . 32 THR CA . 16732 1 354 . 1 1 35 35 THR CB C 13 71.200 0.01 . 1 . . . . 32 THR CB . 16732 1 355 . 1 1 35 35 THR N N 15 116.250 0.01 . 1 . . . . 32 THR N . 16732 1 356 . 1 1 36 36 LEU H H 1 8.681 0.001 . 1 . . . . 33 LEU H . 16732 1 357 . 1 1 36 36 LEU HA H 1 4.637 0.001 . 1 . . . . 33 LEU HA . 16732 1 358 . 1 1 36 36 LEU HB2 H 1 1.590 0.001 . 2 . . . . 33 LEU HB2 . 16732 1 359 . 1 1 36 36 LEU HB3 H 1 1.539 0.001 . 2 . . . . 33 LEU HB3 . 16732 1 360 . 1 1 36 36 LEU HD11 H 1 0.891 0.001 . 1 . . . . 33 LEU HD11 . 16732 1 361 . 1 1 36 36 LEU HD12 H 1 0.891 0.001 . 1 . . . . 33 LEU HD12 . 16732 1 362 . 1 1 36 36 LEU HD13 H 1 0.891 0.001 . 1 . . . . 33 LEU HD13 . 16732 1 363 . 1 1 36 36 LEU HD21 H 1 0.871 0.001 . 1 . . . . 33 LEU HD21 . 16732 1 364 . 1 1 36 36 LEU HD22 H 1 0.871 0.001 . 1 . . . . 33 LEU HD22 . 16732 1 365 . 1 1 36 36 LEU HD23 H 1 0.871 0.001 . 1 . . . . 33 LEU HD23 . 16732 1 366 . 1 1 36 36 LEU HG H 1 1.278 0.001 . 1 . . . . 33 LEU HG . 16732 1 367 . 1 1 36 36 LEU C C 13 175.070 0.01 . 1 . . . . 33 LEU C . 16732 1 368 . 1 1 36 36 LEU CA C 13 54.250 0.01 . 1 . . . . 33 LEU CA . 16732 1 369 . 1 1 36 36 LEU CB C 13 45.740 0.01 . 1 . . . . 33 LEU CB . 16732 1 370 . 1 1 36 36 LEU N N 15 125.240 0.01 . 1 . . . . 33 LEU N . 16732 1 371 . 1 1 37 37 GLN H H 1 8.554 0.001 . 1 . . . . 34 GLN H . 16732 1 372 . 1 1 37 37 GLN HA H 1 5.347 0.001 . 1 . . . . 34 GLN HA . 16732 1 373 . 1 1 37 37 GLN HB2 H 1 1.947 0.001 . 2 . . . . 34 GLN HB2 . 16732 1 374 . 1 1 37 37 GLN HB3 H 1 1.906 0.001 . 2 . . . . 34 GLN HB3 . 16732 1 375 . 1 1 37 37 GLN HE21 H 1 7.367 0.001 . 2 . . . . 34 GLN HE21 . 16732 1 376 . 1 1 37 37 GLN HE22 H 1 6.839 0.001 . 2 . . . . 34 GLN HE22 . 16732 1 377 . 1 1 37 37 GLN HG2 H 1 2.154 0.001 . 2 . . . . 34 GLN HG2 . 16732 1 378 . 1 1 37 37 GLN HG3 H 1 2.308 0.001 . 2 . . . . 34 GLN HG3 . 16732 1 379 . 1 1 37 37 GLN C C 13 176.180 0.01 . 1 . . . . 34 GLN C . 16732 1 380 . 1 1 37 37 GLN CA C 13 54.630 0.01 . 1 . . . . 34 GLN CA . 16732 1 381 . 1 1 37 37 GLN CB C 13 30.210 0.01 . 1 . . . . 34 GLN CB . 16732 1 382 . 1 1 37 37 GLN N N 15 122.790 0.01 . 1 . . . . 34 GLN N . 16732 1 383 . 1 1 37 37 GLN NE2 N 15 111.250 0.01 . 1 . . . . 34 GLN NE2 . 16732 1 384 . 1 1 38 38 LYS H H 1 9.064 0.001 . 1 . . . . 35 LYS H . 16732 1 385 . 1 1 38 38 LYS HA H 1 4.882 0.001 . 1 . . . . 35 LYS HA . 16732 1 386 . 1 1 38 38 LYS HB2 H 1 1.879 0.001 . 2 . . . . 35 LYS HB2 . 16732 1 387 . 1 1 38 38 LYS HB3 H 1 1.784 0.001 . 2 . . . . 35 LYS HB3 . 16732 1 388 . 1 1 38 38 LYS HD2 H 1 1.515 0.001 . 2 . . . . 35 LYS HD2 . 16732 1 389 . 1 1 38 38 LYS HG2 H 1 1.251 0.001 . 2 . . . . 35 LYS HG2 . 16732 1 390 . 1 1 38 38 LYS HG3 H 1 1.160 0.001 . 2 . . . . 35 LYS HG3 . 16732 1 391 . 1 1 38 38 LYS C C 13 172.240 0.01 . 1 . . . . 35 LYS C . 16732 1 392 . 1 1 38 38 LYS CA C 13 53.780 0.01 . 1 . . . . 35 LYS CA . 16732 1 393 . 1 1 38 38 LYS CB C 13 35.240 0.01 . 1 . . . . 35 LYS CB . 16732 1 394 . 1 1 38 38 LYS N N 15 123.450 0.01 . 1 . . . . 35 LYS N . 16732 1 395 . 1 1 39 39 PRO HA H 1 4.980 0.001 . 1 . . . . 36 PRO HA . 16732 1 396 . 1 1 39 39 PRO HB2 H 1 2.214 0.001 . 2 . . . . 36 PRO HB2 . 16732 1 397 . 1 1 39 39 PRO HB3 H 1 1.764 0.001 . 2 . . . . 36 PRO HB3 . 16732 1 398 . 1 1 39 39 PRO HD2 H 1 3.763 0.001 . 2 . . . . 36 PRO HD2 . 16732 1 399 . 1 1 39 39 PRO HD3 H 1 3.763 0.001 . 2 . . . . 36 PRO HD3 . 16732 1 400 . 1 1 39 39 PRO HG2 H 1 1.986 0.001 . 2 . . . . 36 PRO HG2 . 16732 1 401 . 1 1 39 39 PRO HG3 H 1 1.887 0.001 . 2 . . . . 36 PRO HG3 . 16732 1 402 . 1 1 39 39 PRO C C 13 176.960 0.01 . 1 . . . . 36 PRO C . 16732 1 403 . 1 1 39 39 PRO CA C 13 62.720 0.01 . 1 . . . . 36 PRO CA . 16732 1 404 . 1 1 39 39 PRO CB C 13 32.760 0.01 . 1 . . . . 36 PRO CB . 16732 1 405 . 1 1 40 40 ASP H H 1 8.041 0.001 . 1 . . . . 37 ASP H . 16732 1 406 . 1 1 40 40 ASP HA H 1 4.587 0.001 . 1 . . . . 37 ASP HA . 16732 1 407 . 1 1 40 40 ASP HB2 H 1 2.591 0.001 . 2 . . . . 37 ASP HB2 . 16732 1 408 . 1 1 40 40 ASP HB3 H 1 2.550 0.001 . 2 . . . . 37 ASP HB3 . 16732 1 409 . 1 1 40 40 ASP C C 13 175.640 0.01 . 1 . . . . 37 ASP C . 16732 1 410 . 1 1 40 40 ASP CA C 13 55.960 0.01 . 1 . . . . 37 ASP CA . 16732 1 411 . 1 1 40 40 ASP CB C 13 47.440 0.01 . 1 . . . . 37 ASP CB . 16732 1 412 . 1 1 40 40 ASP N N 15 119.830 0.01 . 1 . . . . 37 ASP N . 16732 1 413 . 1 1 41 41 SER H H 1 8.830 0.001 . 1 . . . . 38 SER H . 16732 1 414 . 1 1 41 41 SER HA H 1 4.133 0.001 . 1 . . . . 38 SER HA . 16732 1 415 . 1 1 41 41 SER HB2 H 1 3.880 0.001 . 2 . . . . 38 SER HB2 . 16732 1 416 . 1 1 41 41 SER HB3 H 1 3.780 0.001 . 2 . . . . 38 SER HB3 . 16732 1 417 . 1 1 41 41 SER C C 13 173.840 0.01 . 1 . . . . 38 SER C . 16732 1 418 . 1 1 41 41 SER CA C 13 60.860 0.01 . 1 . . . . 38 SER CA . 16732 1 419 . 1 1 41 41 SER CB C 13 64.250 0.01 . 1 . . . . 38 SER CB . 16732 1 420 . 1 1 41 41 SER N N 15 119.580 0.01 . 1 . . . . 38 SER N . 16732 1 421 . 1 1 42 42 THR H H 1 8.726 0.001 . 1 . . . . 39 THR H . 16732 1 422 . 1 1 42 42 THR HA H 1 4.406 0.001 . 1 . . . . 39 THR HA . 16732 1 423 . 1 1 42 42 THR HB H 1 4.035 0.001 . 1 . . . . 39 THR HB . 16732 1 424 . 1 1 42 42 THR HG21 H 1 1.100 0.001 . 1 . . . . 39 THR HG21 . 16732 1 425 . 1 1 42 42 THR HG22 H 1 1.100 0.001 . 1 . . . . 39 THR HG22 . 16732 1 426 . 1 1 42 42 THR HG23 H 1 1.100 0.001 . 1 . . . . 39 THR HG23 . 16732 1 427 . 1 1 42 42 THR C C 13 174.350 0.01 . 1 . . . . 39 THR C . 16732 1 428 . 1 1 42 42 THR CA C 13 63.830 0.01 . 1 . . . . 39 THR CA . 16732 1 429 . 1 1 42 42 THR CB C 13 71.130 0.01 . 1 . . . . 39 THR CB . 16732 1 430 . 1 1 42 42 THR N N 15 115.250 0.01 . 1 . . . . 39 THR N . 16732 1 431 . 1 1 43 43 ILE H H 1 9.220 0.001 . 1 . . . . 40 ILE H . 16732 1 432 . 1 1 43 43 ILE HA H 1 4.365 0.001 . 1 . . . . 40 ILE HA . 16732 1 433 . 1 1 43 43 ILE HB H 1 1.794 0.001 . 1 . . . . 40 ILE HB . 16732 1 434 . 1 1 43 43 ILE HD11 H 1 0.745 0.001 . 1 . . . . 40 ILE HD11 . 16732 1 435 . 1 1 43 43 ILE HD12 H 1 0.745 0.001 . 1 . . . . 40 ILE HD12 . 16732 1 436 . 1 1 43 43 ILE HD13 H 1 0.745 0.001 . 1 . . . . 40 ILE HD13 . 16732 1 437 . 1 1 43 43 ILE HG12 H 1 1.731 0.001 . 2 . . . . 40 ILE HG12 . 16732 1 438 . 1 1 43 43 ILE HG13 H 1 1.286 0.001 . 2 . . . . 40 ILE HG13 . 16732 1 439 . 1 1 43 43 ILE HG21 H 1 0.795 0.001 . 1 . . . . 40 ILE HG21 . 16732 1 440 . 1 1 43 43 ILE HG22 H 1 0.795 0.001 . 1 . . . . 40 ILE HG22 . 16732 1 441 . 1 1 43 43 ILE HG23 H 1 0.795 0.001 . 1 . . . . 40 ILE HG23 . 16732 1 442 . 1 1 43 43 ILE C C 13 175.590 0.01 . 1 . . . . 40 ILE C . 16732 1 443 . 1 1 43 43 ILE CA C 13 56.380 0.01 . 1 . . . . 40 ILE CA . 16732 1 444 . 1 1 43 43 ILE CB C 13 36.800 0.01 . 1 . . . . 40 ILE CB . 16732 1 445 . 1 1 43 43 ILE N N 15 127.960 0.01 . 1 . . . . 40 ILE N . 16732 1 446 . 1 1 44 44 PRO HD2 H 1 3.739 0.001 . 2 . . . . 41 PRO HD2 . 16732 1 447 . 1 1 44 44 PRO HD3 H 1 3.508 0.001 . 2 . . . . 41 PRO HD3 . 16732 1 448 . 1 1 45 45 PRO HA H 1 4.103 0.001 . 1 . . . . 42 PRO HA . 16732 1 449 . 1 1 45 45 PRO HB2 H 1 2.160 0.001 . 2 . . . . 42 PRO HB2 . 16732 1 450 . 1 1 45 45 PRO HB3 H 1 1.880 0.001 . 2 . . . . 42 PRO HB3 . 16732 1 451 . 1 1 45 45 PRO HG2 H 1 2.104 0.001 . 2 . . . . 42 PRO HG2 . 16732 1 452 . 1 1 45 45 PRO HG3 H 1 1.945 0.001 . 2 . . . . 42 PRO HG3 . 16732 1 453 . 1 1 45 45 PRO C C 13 178.930 0.01 . 1 . . . . 42 PRO C . 16732 1 454 . 1 1 45 45 PRO CA C 13 63.190 0.01 . 1 . . . . 42 PRO CA . 16732 1 455 . 1 1 45 45 PRO CB C 13 32.190 0.01 . 1 . . . . 42 PRO CB . 16732 1 456 . 1 1 46 46 ASP H H 1 9.290 0.001 . 1 . . . . 43 ASP H . 16732 1 457 . 1 1 46 46 ASP HA H 1 4.335 0.001 . 1 . . . . 43 ASP HA . 16732 1 458 . 1 1 46 46 ASP HB2 H 1 3.168 0.001 . 2 . . . . 43 ASP HB2 . 16732 1 459 . 1 1 46 46 ASP HB3 H 1 2.560 0.001 . 2 . . . . 43 ASP HB3 . 16732 1 460 . 1 1 46 46 ASP C C 13 174.090 0.01 . 1 . . . . 43 ASP C . 16732 1 461 . 1 1 46 46 ASP CA C 13 56.850 0.01 . 1 . . . . 43 ASP CA . 16732 1 462 . 1 1 46 46 ASP CB C 13 40.700 0.01 . 1 . . . . 43 ASP CB . 16732 1 463 . 1 1 46 46 ASP N N 15 119.690 0.01 . 1 . . . . 43 ASP N . 16732 1 464 . 1 1 47 47 HIS H H 1 8.099 0.001 . 1 . . . . 44 HIS H . 16732 1 465 . 1 1 47 47 HIS HA H 1 5.317 0.001 . 1 . . . . 44 HIS HA . 16732 1 466 . 1 1 47 47 HIS HB2 H 1 3.349 0.001 . 2 . . . . 44 HIS HB2 . 16732 1 467 . 1 1 47 47 HIS HB3 H 1 2.512 0.001 . 2 . . . . 44 HIS HB3 . 16732 1 468 . 1 1 47 47 HIS HD2 H 1 7.501 0.001 . 1 . . . . 44 HIS HD2 . 16732 1 469 . 1 1 47 47 HIS HE1 H 1 8.713 0.001 . 1 . . . . 44 HIS HE1 . 16732 1 470 . 1 1 47 47 HIS C C 13 174.140 0.01 . 1 . . . . 44 HIS C . 16732 1 471 . 1 1 47 47 HIS CA C 13 54.020 0.01 . 1 . . . . 44 HIS CA . 16732 1 472 . 1 1 47 47 HIS CB C 13 30.770 0.01 . 1 . . . . 44 HIS CB . 16732 1 473 . 1 1 47 47 HIS N N 15 114.640 0.01 . 1 . . . . 44 HIS N . 16732 1 474 . 1 1 48 48 VAL H H 1 8.857 0.001 . 1 . . . . 45 VAL H . 16732 1 475 . 1 1 48 48 VAL HA H 1 3.984 0.001 . 1 . . . . 45 VAL HA . 16732 1 476 . 1 1 48 48 VAL HB H 1 2.241 0.001 . 1 . . . . 45 VAL HB . 16732 1 477 . 1 1 48 48 VAL HG11 H 1 0.779 0.001 . 1 . . . . 45 VAL HG11 . 16732 1 478 . 1 1 48 48 VAL HG12 H 1 0.779 0.001 . 1 . . . . 45 VAL HG12 . 16732 1 479 . 1 1 48 48 VAL HG13 H 1 0.779 0.001 . 1 . . . . 45 VAL HG13 . 16732 1 480 . 1 1 48 48 VAL HG21 H 1 0.622 0.001 . 1 . . . . 45 VAL HG21 . 16732 1 481 . 1 1 48 48 VAL HG22 H 1 0.622 0.001 . 1 . . . . 45 VAL HG22 . 16732 1 482 . 1 1 48 48 VAL HG23 H 1 0.622 0.001 . 1 . . . . 45 VAL HG23 . 16732 1 483 . 1 1 48 48 VAL C C 13 175.910 0.01 . 1 . . . . 45 VAL C . 16732 1 484 . 1 1 48 48 VAL CA C 13 64.890 0.01 . 1 . . . . 45 VAL CA . 16732 1 485 . 1 1 48 48 VAL CB C 13 32.690 0.01 . 1 . . . . 45 VAL CB . 16732 1 486 . 1 1 48 48 VAL N N 15 121.180 0.01 . 1 . . . . 45 VAL N . 16732 1 487 . 1 1 49 49 ILE H H 1 9.353 0.001 . 1 . . . . 46 ILE H . 16732 1 488 . 1 1 49 49 ILE HA H 1 4.026 0.001 . 1 . . . . 46 ILE HA . 16732 1 489 . 1 1 49 49 ILE HB H 1 1.393 0.001 . 1 . . . . 46 ILE HB . 16732 1 490 . 1 1 49 49 ILE HD11 H 1 0.780 0.001 . 1 . . . . 46 ILE HD11 . 16732 1 491 . 1 1 49 49 ILE HD12 H 1 0.780 0.001 . 1 . . . . 46 ILE HD12 . 16732 1 492 . 1 1 49 49 ILE HD13 H 1 0.780 0.001 . 1 . . . . 46 ILE HD13 . 16732 1 493 . 1 1 49 49 ILE HG12 H 1 1.393 0.001 . 2 . . . . 46 ILE HG12 . 16732 1 494 . 1 1 49 49 ILE HG13 H 1 1.350 0.001 . 2 . . . . 46 ILE HG13 . 16732 1 495 . 1 1 49 49 ILE HG21 H 1 0.927 0.001 . 1 . . . . 46 ILE HG21 . 16732 1 496 . 1 1 49 49 ILE HG22 H 1 0.927 0.001 . 1 . . . . 46 ILE HG22 . 16732 1 497 . 1 1 49 49 ILE HG23 H 1 0.927 0.001 . 1 . . . . 46 ILE HG23 . 16732 1 498 . 1 1 49 49 ILE C C 13 176.100 0.01 . 1 . . . . 46 ILE C . 16732 1 499 . 1 1 49 49 ILE CA C 13 63.620 0.01 . 1 . . . . 46 ILE CA . 16732 1 500 . 1 1 49 49 ILE CB C 13 41.480 0.01 . 1 . . . . 46 ILE CB . 16732 1 501 . 1 1 49 49 ILE N N 15 130.410 0.01 . 1 . . . . 46 ILE N . 16732 1 502 . 1 1 50 50 GLY H H 1 7.384 0.001 . 1 . . . . 47 GLY H . 16732 1 503 . 1 1 50 50 GLY HA2 H 1 4.314 0.001 . 2 . . . . 47 GLY HA2 . 16732 1 504 . 1 1 50 50 GLY HA3 H 1 4.137 0.001 . 2 . . . . 47 GLY HA3 . 16732 1 505 . 1 1 50 50 GLY C C 13 170.840 0.01 . 1 . . . . 47 GLY C . 16732 1 506 . 1 1 50 50 GLY CA C 13 44.230 0.01 . 1 . . . . 47 GLY CA . 16732 1 507 . 1 1 50 50 GLY N N 15 105.970 0.01 . 1 . . . . 47 GLY N . 16732 1 508 . 1 1 51 51 THR H H 1 8.454 0.001 . 1 . . . . 48 THR H . 16732 1 509 . 1 1 51 51 THR HA H 1 5.333 0.001 . 1 . . . . 48 THR HA . 16732 1 510 . 1 1 51 51 THR HB H 1 4.038 0.001 . 1 . . . . 48 THR HB . 16732 1 511 . 1 1 51 51 THR HG1 H 1 5.763 0.001 . 1 . . . . 48 THR HG1 . 16732 1 512 . 1 1 51 51 THR HG21 H 1 0.841 0.001 . 1 . . . . 48 THR HG21 . 16732 1 513 . 1 1 51 51 THR HG22 H 1 0.841 0.001 . 1 . . . . 48 THR HG22 . 16732 1 514 . 1 1 51 51 THR HG23 H 1 0.841 0.001 . 1 . . . . 48 THR HG23 . 16732 1 515 . 1 1 51 51 THR C C 13 173.650 0.01 . 1 . . . . 48 THR C . 16732 1 516 . 1 1 51 51 THR CA C 13 59.030 0.01 . 1 . . . . 48 THR CA . 16732 1 517 . 1 1 51 51 THR CB C 13 72.760 0.01 . 1 . . . . 48 THR CB . 16732 1 518 . 1 1 51 51 THR N N 15 108.980 0.01 . 1 . . . . 48 THR N . 16732 1 519 . 1 1 52 52 ASP H H 1 8.773 0.001 . 1 . . . . 49 ASP H . 16732 1 520 . 1 1 52 52 ASP HA H 1 4.662 0.001 . 1 . . . . 49 ASP HA . 16732 1 521 . 1 1 52 52 ASP HB2 H 1 2.605 0.001 . 2 . . . . 49 ASP HB2 . 16732 1 522 . 1 1 52 52 ASP HB3 H 1 2.386 0.001 . 2 . . . . 49 ASP HB3 . 16732 1 523 . 1 1 52 52 ASP C C 13 174.140 0.01 . 1 . . . . 49 ASP C . 16732 1 524 . 1 1 52 52 ASP CA C 13 51.840 0.01 . 1 . . . . 49 ASP CA . 16732 1 525 . 1 1 52 52 ASP CB C 13 44.670 0.01 . 1 . . . . 49 ASP CB . 16732 1 526 . 1 1 52 52 ASP N N 15 119.410 0.01 . 1 . . . . 49 ASP N . 16732 1 527 . 1 1 53 53 PRO HA H 1 4.779 0.001 . 1 . . . . 50 PRO HA . 16732 1 528 . 1 1 53 53 PRO HB2 H 1 2.460 0.001 . 2 . . . . 50 PRO HB2 . 16732 1 529 . 1 1 53 53 PRO HB3 H 1 1.790 0.001 . 2 . . . . 50 PRO HB3 . 16732 1 530 . 1 1 53 53 PRO HD2 H 1 3.840 0.001 . 2 . . . . 50 PRO HD2 . 16732 1 531 . 1 1 53 53 PRO HD3 H 1 3.697 0.001 . 2 . . . . 50 PRO HD3 . 16732 1 532 . 1 1 53 53 PRO HG2 H 1 1.934 0.001 . 2 . . . . 50 PRO HG2 . 16732 1 533 . 1 1 53 53 PRO HG3 H 1 1.903 0.001 . 2 . . . . 50 PRO HG3 . 16732 1 534 . 1 1 53 53 PRO C C 13 174.870 0.01 . 1 . . . . 50 PRO C . 16732 1 535 . 1 1 53 53 PRO CA C 13 63.280 0.01 . 1 . . . . 50 PRO CA . 16732 1 536 . 1 1 53 53 PRO CB C 13 35.030 0.01 . 1 . . . . 50 PRO CB . 16732 1 537 . 1 1 54 54 ALA H H 1 8.437 0.001 . 1 . . . . 51 ALA H . 16732 1 538 . 1 1 54 54 ALA HA H 1 4.330 0.001 . 1 . . . . 51 ALA HA . 16732 1 539 . 1 1 54 54 ALA HB1 H 1 1.436 0.001 . 1 . . . . 51 ALA HB1 . 16732 1 540 . 1 1 54 54 ALA HB2 H 1 1.436 0.001 . 1 . . . . 51 ALA HB2 . 16732 1 541 . 1 1 54 54 ALA HB3 H 1 1.436 0.001 . 1 . . . . 51 ALA HB3 . 16732 1 542 . 1 1 54 54 ALA C C 13 177.520 0.01 . 1 . . . . 51 ALA C . 16732 1 543 . 1 1 54 54 ALA CA C 13 51.890 0.01 . 1 . . . . 51 ALA CA . 16732 1 544 . 1 1 54 54 ALA CB C 13 20.990 0.01 . 1 . . . . 51 ALA CB . 16732 1 545 . 1 1 54 54 ALA N N 15 122.250 0.01 . 1 . . . . 51 ALA N . 16732 1 546 . 1 1 55 55 ALA H H 1 8.390 0.001 . 1 . . . . 52 ALA H . 16732 1 547 . 1 1 55 55 ALA HA H 1 3.568 0.001 . 1 . . . . 52 ALA HA . 16732 1 548 . 1 1 55 55 ALA HB1 H 1 1.331 0.001 . 1 . . . . 52 ALA HB1 . 16732 1 549 . 1 1 55 55 ALA HB2 H 1 1.331 0.001 . 1 . . . . 52 ALA HB2 . 16732 1 550 . 1 1 55 55 ALA HB3 H 1 1.331 0.001 . 1 . . . . 52 ALA HB3 . 16732 1 551 . 1 1 55 55 ALA C C 13 177.620 0.01 . 1 . . . . 52 ALA C . 16732 1 552 . 1 1 55 55 ALA CA C 13 53.780 0.01 . 1 . . . . 52 ALA CA . 16732 1 553 . 1 1 55 55 ALA CB C 13 19.070 0.01 . 1 . . . . 52 ALA CB . 16732 1 554 . 1 1 55 55 ALA N N 15 121.760 0.01 . 1 . . . . 52 ALA N . 16732 1 555 . 1 1 56 56 ASN H H 1 9.495 0.001 . 1 . . . . 53 ASN H . 16732 1 556 . 1 1 56 56 ASN HA H 1 4.155 0.001 . 1 . . . . 53 ASN HA . 16732 1 557 . 1 1 56 56 ASN HB2 H 1 3.217 0.001 . 2 . . . . 53 ASN HB2 . 16732 1 558 . 1 1 56 56 ASN HB3 H 1 2.953 0.001 . 2 . . . . 53 ASN HB3 . 16732 1 559 . 1 1 56 56 ASN HD21 H 1 7.601 0.001 . 2 . . . . 53 ASN HD21 . 16732 1 560 . 1 1 56 56 ASN HD22 H 1 7.148 0.001 . 2 . . . . 53 ASN HD22 . 16732 1 561 . 1 1 56 56 ASN C C 13 174.690 0.01 . 1 . . . . 53 ASN C . 16732 1 562 . 1 1 56 56 ASN CA C 13 55.480 0.01 . 1 . . . . 53 ASN CA . 16732 1 563 . 1 1 56 56 ASN CB C 13 37.650 0.01 . 1 . . . . 53 ASN CB . 16732 1 564 . 1 1 56 56 ASN N N 15 113.830 0.01 . 1 . . . . 53 ASN N . 16732 1 565 . 1 1 56 56 ASN ND2 N 15 114.560 0.01 . 1 . . . . 53 ASN ND2 . 16732 1 566 . 1 1 57 57 THR H H 1 7.738 0.001 . 1 . . . . 54 THR H . 16732 1 567 . 1 1 57 57 THR HA H 1 4.245 0.001 . 1 . . . . 54 THR HA . 16732 1 568 . 1 1 57 57 THR HB H 1 3.953 0.001 . 1 . . . . 54 THR HB . 16732 1 569 . 1 1 57 57 THR HG21 H 1 1.237 0.001 . 1 . . . . 54 THR HG21 . 16732 1 570 . 1 1 57 57 THR HG22 H 1 1.237 0.001 . 1 . . . . 54 THR HG22 . 16732 1 571 . 1 1 57 57 THR HG23 H 1 1.237 0.001 . 1 . . . . 54 THR HG23 . 16732 1 572 . 1 1 57 57 THR C C 13 173.590 0.01 . 1 . . . . 54 THR C . 16732 1 573 . 1 1 57 57 THR CA C 13 63.710 0.01 . 1 . . . . 54 THR CA . 16732 1 574 . 1 1 57 57 THR CB C 13 69.920 0.01 . 1 . . . . 54 THR CB . 16732 1 575 . 1 1 57 57 THR N N 15 115.580 0.01 . 1 . . . . 54 THR N . 16732 1 576 . 1 1 58 58 SER H H 1 8.776 0.001 . 1 . . . . 55 SER H . 16732 1 577 . 1 1 58 58 SER HA H 1 4.978 0.001 . 1 . . . . 55 SER HA . 16732 1 578 . 1 1 58 58 SER HB2 H 1 3.766 0.001 . 2 . . . . 55 SER HB2 . 16732 1 579 . 1 1 58 58 SER HB3 H 1 3.750 0.001 . 2 . . . . 55 SER HB3 . 16732 1 580 . 1 1 58 58 SER C C 13 173.820 0.01 . 1 . . . . 55 SER C . 16732 1 581 . 1 1 58 58 SER CA C 13 58.840 0.01 . 1 . . . . 55 SER CA . 16732 1 582 . 1 1 58 58 SER CB C 13 63.680 0.01 . 1 . . . . 55 SER CB . 16732 1 583 . 1 1 58 58 SER N N 15 120.560 0.01 . 1 . . . . 55 SER N . 16732 1 584 . 1 1 59 59 VAL H H 1 9.059 0.001 . 1 . . . . 56 VAL H . 16732 1 585 . 1 1 59 59 VAL HA H 1 4.687 0.001 . 1 . . . . 56 VAL HA . 16732 1 586 . 1 1 59 59 VAL HB H 1 2.630 0.001 . 1 . . . . 56 VAL HB . 16732 1 587 . 1 1 59 59 VAL HG11 H 1 0.806 0.001 . 1 . . . . 56 VAL HG11 . 16732 1 588 . 1 1 59 59 VAL HG12 H 1 0.806 0.001 . 1 . . . . 56 VAL HG12 . 16732 1 589 . 1 1 59 59 VAL HG13 H 1 0.806 0.001 . 1 . . . . 56 VAL HG13 . 16732 1 590 . 1 1 59 59 VAL HG21 H 1 0.690 0.001 . 1 . . . . 56 VAL HG21 . 16732 1 591 . 1 1 59 59 VAL HG22 H 1 0.690 0.001 . 1 . . . . 56 VAL HG22 . 16732 1 592 . 1 1 59 59 VAL HG23 H 1 0.690 0.001 . 1 . . . . 56 VAL HG23 . 16732 1 593 . 1 1 59 59 VAL C C 13 174.310 0.01 . 1 . . . . 56 VAL C . 16732 1 594 . 1 1 59 59 VAL CA C 13 59.410 0.01 . 1 . . . . 56 VAL CA . 16732 1 595 . 1 1 59 59 VAL CB C 13 35.170 0.01 . 1 . . . . 56 VAL CB . 16732 1 596 . 1 1 59 59 VAL N N 15 122.140 0.01 . 1 . . . . 56 VAL N . 16732 1 597 . 1 1 60 60 SER H H 1 8.159 0.001 . 1 . . . . 57 SER H . 16732 1 598 . 1 1 60 60 SER HA H 1 4.816 0.001 . 1 . . . . 57 SER HA . 16732 1 599 . 1 1 60 60 SER HB2 H 1 3.831 0.001 . 2 . . . . 57 SER HB2 . 16732 1 600 . 1 1 60 60 SER HB3 H 1 3.795 0.001 . 2 . . . . 57 SER HB3 . 16732 1 601 . 1 1 60 60 SER C C 13 174.030 0.01 . 1 . . . . 57 SER C . 16732 1 602 . 1 1 60 60 SER CA C 13 58.370 0.01 . 1 . . . . 57 SER CA . 16732 1 603 . 1 1 60 60 SER CB C 13 64.460 0.01 . 1 . . . . 57 SER CB . 16732 1 604 . 1 1 60 60 SER N N 15 115.750 0.01 . 1 . . . . 57 SER N . 16732 1 605 . 1 1 61 61 ALA H H 1 8.668 0.001 . 1 . . . . 58 ALA H . 16732 1 606 . 1 1 61 61 ALA HA H 1 4.021 0.001 . 1 . . . . 58 ALA HA . 16732 1 607 . 1 1 61 61 ALA HB1 H 1 1.234 0.001 . 1 . . . . 58 ALA HB1 . 16732 1 608 . 1 1 61 61 ALA HB2 H 1 1.234 0.001 . 1 . . . . 58 ALA HB2 . 16732 1 609 . 1 1 61 61 ALA HB3 H 1 1.234 0.001 . 1 . . . . 58 ALA HB3 . 16732 1 610 . 1 1 61 61 ALA C C 13 179.980 0.01 . 1 . . . . 58 ALA C . 16732 1 611 . 1 1 61 61 ALA CA C 13 53.120 0.01 . 1 . . . . 58 ALA CA . 16732 1 612 . 1 1 61 61 ALA CB C 13 18.010 0.01 . 1 . . . . 58 ALA CB . 16732 1 613 . 1 1 61 61 ALA N N 15 125.770 0.01 . 1 . . . . 58 ALA N . 16732 1 614 . 1 1 62 62 GLY H H 1 8.456 0.001 . 1 . . . . 59 GLY H . 16732 1 615 . 1 1 62 62 GLY HA2 H 1 4.100 0.001 . 2 . . . . 59 GLY HA2 . 16732 1 616 . 1 1 62 62 GLY HA3 H 1 4.045 0.001 . 2 . . . . 59 GLY HA3 . 16732 1 617 . 1 1 62 62 GLY C C 13 174.580 0.01 . 1 . . . . 59 GLY C . 16732 1 618 . 1 1 62 62 GLY CA C 13 45.130 0.01 . 1 . . . . 59 GLY CA . 16732 1 619 . 1 1 62 62 GLY N N 15 110.930 0.01 . 1 . . . . 59 GLY N . 16732 1 620 . 1 1 63 63 ASP H H 1 7.751 0.001 . 1 . . . . 60 ASP H . 16732 1 621 . 1 1 63 63 ASP HA H 1 4.542 0.001 . 1 . . . . 60 ASP HA . 16732 1 622 . 1 1 63 63 ASP HB2 H 1 3.037 0.001 . 2 . . . . 60 ASP HB2 . 16732 1 623 . 1 1 63 63 ASP HB3 H 1 2.568 0.001 . 2 . . . . 60 ASP HB3 . 16732 1 624 . 1 1 63 63 ASP C C 13 174.620 0.01 . 1 . . . . 60 ASP C . 16732 1 625 . 1 1 63 63 ASP CA C 13 54.730 0.01 . 1 . . . . 60 ASP CA . 16732 1 626 . 1 1 63 63 ASP CB C 13 41.130 0.01 . 1 . . . . 60 ASP CB . 16732 1 627 . 1 1 63 63 ASP N N 15 119.680 0.01 . 1 . . . . 60 ASP N . 16732 1 628 . 1 1 64 64 GLU H H 1 8.283 0.001 . 1 . . . . 61 GLU H . 16732 1 629 . 1 1 64 64 GLU HA H 1 4.624 0.001 . 1 . . . . 61 GLU HA . 16732 1 630 . 1 1 64 64 GLU HB2 H 1 1.820 0.001 . 2 . . . . 61 GLU HB2 . 16732 1 631 . 1 1 64 64 GLU HB3 H 1 1.820 0.001 . 2 . . . . 61 GLU HB3 . 16732 1 632 . 1 1 64 64 GLU HG2 H 1 2.005 0.001 . 2 . . . . 61 GLU HG2 . 16732 1 633 . 1 1 64 64 GLU HG3 H 1 2.005 0.001 . 2 . . . . 61 GLU HG3 . 16732 1 634 . 1 1 64 64 GLU C C 13 175.110 0.01 . 1 . . . . 61 GLU C . 16732 1 635 . 1 1 64 64 GLU CA C 13 55.530 0.01 . 1 . . . . 61 GLU CA . 16732 1 636 . 1 1 64 64 GLU CB C 13 30.990 0.01 . 1 . . . . 61 GLU CB . 16732 1 637 . 1 1 64 64 GLU N N 15 119.160 0.01 . 1 . . . . 61 GLU N . 16732 1 638 . 1 1 65 65 ILE H H 1 9.100 0.001 . 1 . . . . 62 ILE H . 16732 1 639 . 1 1 65 65 ILE HA H 1 4.335 0.001 . 1 . . . . 62 ILE HA . 16732 1 640 . 1 1 65 65 ILE HB H 1 1.830 0.001 . 1 . . . . 62 ILE HB . 16732 1 641 . 1 1 65 65 ILE HD11 H 1 0.132 0.001 . 1 . . . . 62 ILE HD11 . 16732 1 642 . 1 1 65 65 ILE HD12 H 1 0.132 0.001 . 1 . . . . 62 ILE HD12 . 16732 1 643 . 1 1 65 65 ILE HD13 H 1 0.132 0.001 . 1 . . . . 62 ILE HD13 . 16732 1 644 . 1 1 65 65 ILE HG12 H 1 1.463 0.001 . 2 . . . . 62 ILE HG12 . 16732 1 645 . 1 1 65 65 ILE HG13 H 1 1.355 0.001 . 2 . . . . 62 ILE HG13 . 16732 1 646 . 1 1 65 65 ILE HG21 H 1 0.622 0.001 . 1 . . . . 62 ILE HG21 . 16732 1 647 . 1 1 65 65 ILE HG22 H 1 0.622 0.001 . 1 . . . . 62 ILE HG22 . 16732 1 648 . 1 1 65 65 ILE HG23 H 1 0.622 0.001 . 1 . . . . 62 ILE HG23 . 16732 1 649 . 1 1 65 65 ILE C C 13 175.250 0.01 . 1 . . . . 62 ILE C . 16732 1 650 . 1 1 65 65 ILE CA C 13 58.370 0.01 . 1 . . . . 62 ILE CA . 16732 1 651 . 1 1 65 65 ILE CB C 13 38.860 0.01 . 1 . . . . 62 ILE CB . 16732 1 652 . 1 1 65 65 ILE N N 15 129.600 0.01 . 1 . . . . 62 ILE N . 16732 1 653 . 1 1 66 66 THR H H 1 8.788 0.001 . 1 . . . . 63 THR H . 16732 1 654 . 1 1 66 66 THR HA H 1 4.824 0.001 . 1 . . . . 63 THR HA . 16732 1 655 . 1 1 66 66 THR HB H 1 4.280 0.001 . 1 . . . . 63 THR HB . 16732 1 656 . 1 1 66 66 THR HG21 H 1 0.969 0.001 . 1 . . . . 63 THR HG21 . 16732 1 657 . 1 1 66 66 THR HG22 H 1 0.969 0.001 . 1 . . . . 63 THR HG22 . 16732 1 658 . 1 1 66 66 THR HG23 H 1 0.969 0.001 . 1 . . . . 63 THR HG23 . 16732 1 659 . 1 1 66 66 THR C C 13 173.460 0.01 . 1 . . . . 63 THR C . 16732 1 660 . 1 1 66 66 THR CA C 13 62.620 0.01 . 1 . . . . 63 THR CA . 16732 1 661 . 1 1 66 66 THR CB C 13 69.430 0.01 . 1 . . . . 63 THR CB . 16732 1 662 . 1 1 66 66 THR N N 15 123.450 0.01 . 1 . . . . 63 THR N . 16732 1 663 . 1 1 67 67 VAL H H 1 9.343 0.001 . 1 . . . . 64 VAL H . 16732 1 664 . 1 1 67 67 VAL HA H 1 3.825 0.001 . 1 . . . . 64 VAL HA . 16732 1 665 . 1 1 67 67 VAL HB H 1 1.923 0.001 . 1 . . . . 64 VAL HB . 16732 1 666 . 1 1 67 67 VAL HG11 H 1 0.710 0.001 . 1 . . . . 64 VAL HG11 . 16732 1 667 . 1 1 67 67 VAL HG12 H 1 0.710 0.001 . 1 . . . . 64 VAL HG12 . 16732 1 668 . 1 1 67 67 VAL HG13 H 1 0.710 0.001 . 1 . . . . 64 VAL HG13 . 16732 1 669 . 1 1 67 67 VAL HG21 H 1 0.634 0.001 . 1 . . . . 64 VAL HG21 . 16732 1 670 . 1 1 67 67 VAL HG22 H 1 0.634 0.001 . 1 . . . . 64 VAL HG22 . 16732 1 671 . 1 1 67 67 VAL HG23 H 1 0.634 0.001 . 1 . . . . 64 VAL HG23 . 16732 1 672 . 1 1 67 67 VAL C C 13 173.570 0.01 . 1 . . . . 64 VAL C . 16732 1 673 . 1 1 67 67 VAL CA C 13 61.680 0.01 . 1 . . . . 64 VAL CA . 16732 1 674 . 1 1 67 67 VAL CB C 13 33.260 0.01 . 1 . . . . 64 VAL CB . 16732 1 675 . 1 1 67 67 VAL N N 15 128.900 0.01 . 1 . . . . 64 VAL N . 16732 1 676 . 1 1 68 68 ASN H H 1 8.332 0.001 . 1 . . . . 65 ASN H . 16732 1 677 . 1 1 68 68 ASN HA H 1 5.330 0.001 . 1 . . . . 65 ASN HA . 16732 1 678 . 1 1 68 68 ASN HB2 H 1 2.715 0.001 . 2 . . . . 65 ASN HB2 . 16732 1 679 . 1 1 68 68 ASN HB3 H 1 2.032 0.001 . 2 . . . . 65 ASN HB3 . 16732 1 680 . 1 1 68 68 ASN HD21 H 1 6.734 0.001 . 2 . . . . 65 ASN HD21 . 16732 1 681 . 1 1 68 68 ASN HD22 H 1 6.400 0.001 . 2 . . . . 65 ASN HD22 . 16732 1 682 . 1 1 68 68 ASN C C 13 173.840 0.01 . 1 . . . . 65 ASN C . 16732 1 683 . 1 1 68 68 ASN CA C 13 52.880 0.01 . 1 . . . . 65 ASN CA . 16732 1 684 . 1 1 68 68 ASN CB C 13 40.210 0.01 . 1 . . . . 65 ASN CB . 16732 1 685 . 1 1 68 68 ASN N N 15 125.880 0.01 . 1 . . . . 65 ASN N . 16732 1 686 . 1 1 68 68 ASN ND2 N 15 110.730 0.01 . 1 . . . . 65 ASN ND2 . 16732 1 687 . 1 1 69 69 VAL H H 1 9.703 0.001 . 1 . . . . 66 VAL H . 16732 1 688 . 1 1 69 69 VAL HA H 1 4.035 0.001 . 1 . . . . 66 VAL HA . 16732 1 689 . 1 1 69 69 VAL HB H 1 1.976 0.001 . 1 . . . . 66 VAL HB . 16732 1 690 . 1 1 69 69 VAL HG11 H 1 0.953 0.001 . 1 . . . . 66 VAL HG11 . 16732 1 691 . 1 1 69 69 VAL HG12 H 1 0.953 0.001 . 1 . . . . 66 VAL HG12 . 16732 1 692 . 1 1 69 69 VAL HG13 H 1 0.953 0.001 . 1 . . . . 66 VAL HG13 . 16732 1 693 . 1 1 69 69 VAL HG21 H 1 0.818 0.001 . 1 . . . . 66 VAL HG21 . 16732 1 694 . 1 1 69 69 VAL HG22 H 1 0.818 0.001 . 1 . . . . 66 VAL HG22 . 16732 1 695 . 1 1 69 69 VAL HG23 H 1 0.818 0.001 . 1 . . . . 66 VAL HG23 . 16732 1 696 . 1 1 69 69 VAL C C 13 174.120 0.01 . 1 . . . . 66 VAL C . 16732 1 697 . 1 1 69 69 VAL CA C 13 62.620 0.01 . 1 . . . . 66 VAL CA . 16732 1 698 . 1 1 69 69 VAL CB C 13 34.110 0.01 . 1 . . . . 66 VAL CB . 16732 1 699 . 1 1 69 69 VAL N N 15 128.900 0.01 . 1 . . . . 66 VAL N . 16732 1 700 . 1 1 70 70 SER H H 1 8.619 0.001 . 1 . . . . 67 SER H . 16732 1 701 . 1 1 70 70 SER HA H 1 5.420 0.001 . 1 . . . . 67 SER HA . 16732 1 702 . 1 1 70 70 SER HB2 H 1 4.062 0.001 . 2 . . . . 67 SER HB2 . 16732 1 703 . 1 1 70 70 SER HB3 H 1 3.526 0.001 . 2 . . . . 67 SER HB3 . 16732 1 704 . 1 1 70 70 SER C C 13 178.130 0.01 . 1 . . . . 67 SER C . 16732 1 705 . 1 1 70 70 SER CA C 13 56.900 0.01 . 1 . . . . 67 SER CA . 16732 1 706 . 1 1 70 70 SER CB C 13 64.670 0.01 . 1 . . . . 67 SER CB . 16732 1 707 . 1 1 70 70 SER N N 15 118.420 0.01 . 1 . . . . 67 SER N . 16732 1 708 . 1 1 71 71 THR H H 1 8.712 0.001 . 1 . . . . 68 THR H . 16732 1 709 . 1 1 71 71 THR HA H 1 4.644 0.001 . 1 . . . . 68 THR HA . 16732 1 710 . 1 1 71 71 THR HB H 1 4.465 0.001 . 1 . . . . 68 THR HB . 16732 1 711 . 1 1 71 71 THR HG21 H 1 1.180 0.001 . 1 . . . . 68 THR HG21 . 16732 1 712 . 1 1 71 71 THR HG22 H 1 1.180 0.001 . 1 . . . . 68 THR HG22 . 16732 1 713 . 1 1 71 71 THR HG23 H 1 1.180 0.001 . 1 . . . . 68 THR HG23 . 16732 1 714 . 1 1 71 71 THR C C 13 175.510 0.01 . 1 . . . . 68 THR C . 16732 1 715 . 1 1 71 71 THR CA C 13 60.830 0.01 . 1 . . . . 68 THR CA . 16732 1 716 . 1 1 71 71 THR CB C 13 68.580 0.01 . 1 . . . . 68 THR CB . 16732 1 717 . 1 1 71 71 THR N N 15 118.490 0.01 . 1 . . . . 68 THR N . 16732 1 718 . 1 1 72 72 GLY H H 1 9.077 0.001 . 1 . . . . 69 GLY H . 16732 1 719 . 1 1 72 72 GLY HA2 H 1 4.462 0.001 . 2 . . . . 69 GLY HA2 . 16732 1 720 . 1 1 72 72 GLY HA3 H 1 3.920 0.001 . 2 . . . . 69 GLY HA3 . 16732 1 721 . 1 1 72 72 GLY CA C 13 44.040 0.01 . 1 . . . . 69 GLY CA . 16732 1 722 . 1 1 72 72 GLY N N 15 112.170 0.01 . 1 . . . . 69 GLY N . 16732 1 723 . 1 1 73 73 PRO HA H 1 4.261 0.001 . 1 . . . . 70 PRO HA . 16732 1 724 . 1 1 73 73 PRO HD2 H 1 3.701 0.001 . 2 . . . . 70 PRO HD2 . 16732 1 725 . 1 1 73 73 PRO HD3 H 1 3.544 0.001 . 2 . . . . 70 PRO HD3 . 16732 1 726 . 1 1 73 73 PRO C C 13 177.510 0.01 . 1 . . . . 70 PRO C . 16732 1 727 . 1 1 73 73 PRO CA C 13 62.620 0.01 . 1 . . . . 70 PRO CA . 16732 1 728 . 1 1 73 73 PRO CB C 13 32.830 0.01 . 1 . . . . 70 PRO CB . 16732 1 729 . 1 1 74 74 GLU H H 1 9.093 0.001 . 1 . . . . 71 GLU H . 16732 1 730 . 1 1 74 74 GLU HA H 1 3.936 0.001 . 1 . . . . 71 GLU HA . 16732 1 731 . 1 1 74 74 GLU HB2 H 1 1.788 0.001 . 2 . . . . 71 GLU HB2 . 16732 1 732 . 1 1 74 74 GLU HB3 H 1 1.853 0.001 . 2 . . . . 71 GLU HB3 . 16732 1 733 . 1 1 74 74 GLU HG2 H 1 2.249 0.001 . 2 . . . . 71 GLU HG2 . 16732 1 734 . 1 1 74 74 GLU HG3 H 1 2.004 0.001 . 2 . . . . 71 GLU HG3 . 16732 1 735 . 1 1 74 74 GLU C C 13 175.020 0.01 . 1 . . . . 71 GLU C . 16732 1 736 . 1 1 74 74 GLU CA C 13 57.470 0.01 . 1 . . . . 71 GLU CA . 16732 1 737 . 1 1 74 74 GLU CB C 13 30.140 0.01 . 1 . . . . 71 GLU CB . 16732 1 738 . 1 1 74 74 GLU N N 15 123.580 0.01 . 1 . . . . 71 GLU N . 16732 1 739 . 1 1 75 75 GLN H H 1 8.594 0.001 . 1 . . . . 72 GLN H . 16732 1 740 . 1 1 75 75 GLN HA H 1 4.808 0.001 . 1 . . . . 72 GLN HA . 16732 1 741 . 1 1 75 75 GLN HB2 H 1 1.819 0.001 . 2 . . . . 72 GLN HB2 . 16732 1 742 . 1 1 75 75 GLN HB3 H 1 1.761 0.001 . 2 . . . . 72 GLN HB3 . 16732 1 743 . 1 1 75 75 GLN HE21 H 1 7.613 0.001 . 2 . . . . 72 GLN HE21 . 16732 1 744 . 1 1 75 75 GLN HE22 H 1 6.801 0.001 . 2 . . . . 72 GLN HE22 . 16732 1 745 . 1 1 75 75 GLN HG2 H 1 2.415 0.001 . 2 . . . . 72 GLN HG2 . 16732 1 746 . 1 1 75 75 GLN HG3 H 1 2.020 0.001 . 2 . . . . 72 GLN HG3 . 16732 1 747 . 1 1 75 75 GLN C C 13 175.680 0.01 . 1 . . . . 72 GLN C . 16732 1 748 . 1 1 75 75 GLN CA C 13 54.210 0.01 . 1 . . . . 72 GLN CA . 16732 1 749 . 1 1 75 75 GLN CB C 13 30.210 0.01 . 1 . . . . 72 GLN CB . 16732 1 750 . 1 1 75 75 GLN N N 15 122.770 0.01 . 1 . . . . 72 GLN N . 16732 1 751 . 1 1 75 75 GLN NE2 N 15 111.600 0.01 . 1 . . . . 72 GLN NE2 . 16732 1 752 . 1 1 76 76 ARG H H 1 8.514 0.001 . 1 . . . . 73 ARG H . 16732 1 753 . 1 1 76 76 ARG HA H 1 4.736 0.001 . 1 . . . . 73 ARG HA . 16732 1 754 . 1 1 76 76 ARG HB2 H 1 1.880 0.001 . 2 . . . . 73 ARG HB2 . 16732 1 755 . 1 1 76 76 ARG HB3 H 1 1.830 0.001 . 2 . . . . 73 ARG HB3 . 16732 1 756 . 1 1 76 76 ARG HD2 H 1 3.283 0.001 . 2 . . . . 73 ARG HD2 . 16732 1 757 . 1 1 76 76 ARG HD3 H 1 3.051 0.001 . 2 . . . . 73 ARG HD3 . 16732 1 758 . 1 1 76 76 ARG HE H 1 7.202 0.001 . 1 . . . . 73 ARG HE . 16732 1 759 . 1 1 76 76 ARG HG2 H 1 1.420 0.001 . 2 . . . . 73 ARG HG2 . 16732 1 760 . 1 1 76 76 ARG HG3 H 1 1.380 0.001 . 2 . . . . 73 ARG HG3 . 16732 1 761 . 1 1 76 76 ARG C C 13 174.810 0.01 . 1 . . . . 73 ARG C . 16732 1 762 . 1 1 76 76 ARG CA C 13 53.730 0.01 . 1 . . . . 73 ARG CA . 16732 1 763 . 1 1 76 76 ARG CB C 13 35.100 0.01 . 1 . . . . 73 ARG CB . 16732 1 764 . 1 1 76 76 ARG N N 15 120.870 0.01 . 1 . . . . 73 ARG N . 16732 1 765 . 1 1 76 76 ARG NE N 15 84.590 0.01 . 1 . . . . 73 ARG NE . 16732 1 766 . 1 1 77 77 GLU H H 1 8.744 0.001 . 1 . . . . 74 GLU H . 16732 1 767 . 1 1 77 77 GLU HA H 1 4.405 0.001 . 1 . . . . 74 GLU HA . 16732 1 768 . 1 1 77 77 GLU HB2 H 1 1.905 0.001 . 2 . . . . 74 GLU HB2 . 16732 1 769 . 1 1 77 77 GLU HB3 H 1 1.808 0.001 . 2 . . . . 74 GLU HB3 . 16732 1 770 . 1 1 77 77 GLU HG2 H 1 2.123 0.001 . 2 . . . . 74 GLU HG2 . 16732 1 771 . 1 1 77 77 GLU HG3 H 1 2.123 0.001 . 2 . . . . 74 GLU HG3 . 16732 1 772 . 1 1 77 77 GLU C C 13 176.520 0.01 . 1 . . . . 74 GLU C . 16732 1 773 . 1 1 77 77 GLU CA C 13 56.290 0.01 . 1 . . . . 74 GLU CA . 16732 1 774 . 1 1 77 77 GLU CB C 13 30.140 0.01 . 1 . . . . 74 GLU CB . 16732 1 775 . 1 1 77 77 GLU N N 15 121.760 0.01 . 1 . . . . 74 GLU N . 16732 1 776 . 1 1 78 78 ILE H H 1 8.504 0.001 . 1 . . . . 75 ILE H . 16732 1 777 . 1 1 78 78 ILE HA H 1 3.986 0.001 . 1 . . . . 75 ILE HA . 16732 1 778 . 1 1 78 78 ILE HB H 1 1.880 0.001 . 1 . . . . 75 ILE HB . 16732 1 779 . 1 1 78 78 ILE HD11 H 1 0.255 0.001 . 1 . . . . 75 ILE HD11 . 16732 1 780 . 1 1 78 78 ILE HD12 H 1 0.255 0.001 . 1 . . . . 75 ILE HD12 . 16732 1 781 . 1 1 78 78 ILE HD13 H 1 0.255 0.001 . 1 . . . . 75 ILE HD13 . 16732 1 782 . 1 1 78 78 ILE HG12 H 1 1.380 0.001 . 2 . . . . 75 ILE HG12 . 16732 1 783 . 1 1 78 78 ILE HG13 H 1 1.052 0.001 . 2 . . . . 75 ILE HG13 . 16732 1 784 . 1 1 78 78 ILE HG21 H 1 0.579 0.001 . 1 . . . . 75 ILE HG21 . 16732 1 785 . 1 1 78 78 ILE HG22 H 1 0.579 0.001 . 1 . . . . 75 ILE HG22 . 16732 1 786 . 1 1 78 78 ILE HG23 H 1 0.579 0.001 . 1 . . . . 75 ILE HG23 . 16732 1 787 . 1 1 78 78 ILE C C 13 174.770 0.01 . 1 . . . . 75 ILE C . 16732 1 788 . 1 1 78 78 ILE CA C 13 58.410 0.01 . 1 . . . . 75 ILE CA . 16732 1 789 . 1 1 78 78 ILE CB C 13 38.290 0.01 . 1 . . . . 75 ILE CB . 16732 1 790 . 1 1 78 78 ILE N N 15 128.040 0.01 . 1 . . . . 75 ILE N . 16732 1 791 . 1 1 79 79 PRO HA H 1 4.594 0.001 . 1 . . . . 76 PRO HA . 16732 1 792 . 1 1 79 79 PRO HB2 H 1 2.304 0.001 . 2 . . . . 76 PRO HB2 . 16732 1 793 . 1 1 79 79 PRO HB3 H 1 1.632 0.001 . 2 . . . . 76 PRO HB3 . 16732 1 794 . 1 1 79 79 PRO HD2 H 1 3.623 0.001 . 2 . . . . 76 PRO HD2 . 16732 1 795 . 1 1 79 79 PRO HD3 H 1 3.607 0.001 . 2 . . . . 76 PRO HD3 . 16732 1 796 . 1 1 79 79 PRO HG2 H 1 1.909 0.001 . 2 . . . . 76 PRO HG2 . 16732 1 797 . 1 1 79 79 PRO HG3 H 1 1.762 0.001 . 2 . . . . 76 PRO HG3 . 16732 1 798 . 1 1 79 79 PRO C C 13 175.630 0.01 . 1 . . . . 76 PRO C . 16732 1 799 . 1 1 79 79 PRO CA C 13 61.870 0.01 . 1 . . . . 76 PRO CA . 16732 1 800 . 1 1 79 79 PRO CB C 13 32.190 0.01 . 1 . . . . 76 PRO CB . 16732 1 801 . 1 1 80 80 ASP H H 1 8.764 0.001 . 1 . . . . 77 ASP H . 16732 1 802 . 1 1 80 80 ASP HA H 1 4.424 0.001 . 1 . . . . 77 ASP HA . 16732 1 803 . 1 1 80 80 ASP HB2 H 1 2.856 0.001 . 2 . . . . 77 ASP HB2 . 16732 1 804 . 1 1 80 80 ASP HB3 H 1 2.527 0.001 . 2 . . . . 77 ASP HB3 . 16732 1 805 . 1 1 80 80 ASP C C 13 176.960 0.01 . 1 . . . . 77 ASP C . 16732 1 806 . 1 1 80 80 ASP CA C 13 54.730 0.01 . 1 . . . . 77 ASP CA . 16732 1 807 . 1 1 80 80 ASP CB C 13 40.850 0.01 . 1 . . . . 77 ASP CB . 16732 1 808 . 1 1 80 80 ASP N N 15 118.720 0.01 . 1 . . . . 77 ASP N . 16732 1 809 . 1 1 81 81 VAL H H 1 7.786 0.001 . 1 . . . . 78 VAL H . 16732 1 810 . 1 1 81 81 VAL HA H 1 4.432 0.001 . 1 . . . . 78 VAL HA . 16732 1 811 . 1 1 81 81 VAL HB H 1 2.500 0.001 . 1 . . . . 78 VAL HB . 16732 1 812 . 1 1 81 81 VAL HG11 H 1 0.730 0.001 . 1 . . . . 78 VAL HG11 . 16732 1 813 . 1 1 81 81 VAL HG12 H 1 0.730 0.001 . 1 . . . . 78 VAL HG12 . 16732 1 814 . 1 1 81 81 VAL HG13 H 1 0.730 0.001 . 1 . . . . 78 VAL HG13 . 16732 1 815 . 1 1 81 81 VAL HG21 H 1 0.730 0.001 . 1 . . . . 78 VAL HG21 . 16732 1 816 . 1 1 81 81 VAL HG22 H 1 0.730 0.001 . 1 . . . . 78 VAL HG22 . 16732 1 817 . 1 1 81 81 VAL HG23 H 1 0.730 0.001 . 1 . . . . 78 VAL HG23 . 16732 1 818 . 1 1 81 81 VAL C C 13 174.110 0.01 . 1 . . . . 78 VAL C . 16732 1 819 . 1 1 81 81 VAL CA C 13 59.830 0.01 . 1 . . . . 78 VAL CA . 16732 1 820 . 1 1 81 81 VAL CB C 13 31.130 0.01 . 1 . . . . 78 VAL CB . 16732 1 821 . 1 1 81 81 VAL N N 15 119.780 0.01 . 1 . . . . 78 VAL N . 16732 1 822 . 1 1 82 82 SER H H 1 8.202 0.001 . 1 . . . . 79 SER H . 16732 1 823 . 1 1 82 82 SER HA H 1 3.854 0.001 . 1 . . . . 79 SER HA . 16732 1 824 . 1 1 82 82 SER HB2 H 1 3.693 0.001 . 2 . . . . 79 SER HB2 . 16732 1 825 . 1 1 82 82 SER HB3 H 1 3.622 0.001 . 2 . . . . 79 SER HB3 . 16732 1 826 . 1 1 82 82 SER C C 13 177.390 0.01 . 1 . . . . 79 SER C . 16732 1 827 . 1 1 82 82 SER CA C 13 59.600 0.01 . 1 . . . . 79 SER CA . 16732 1 828 . 1 1 82 82 SER CB C 13 64.040 0.01 . 1 . . . . 79 SER CB . 16732 1 829 . 1 1 82 82 SER N N 15 116.700 0.01 . 1 . . . . 79 SER N . 16732 1 830 . 1 1 83 83 THR H H 1 9.919 0.001 . 1 . . . . 80 THR H . 16732 1 831 . 1 1 83 83 THR HA H 1 3.696 0.001 . 1 . . . . 80 THR HA . 16732 1 832 . 1 1 83 83 THR HB H 1 3.862 0.001 . 1 . . . . 80 THR HB . 16732 1 833 . 1 1 83 83 THR HG21 H 1 1.180 0.001 . 1 . . . . 80 THR HG21 . 16732 1 834 . 1 1 83 83 THR HG22 H 1 1.180 0.001 . 1 . . . . 80 THR HG22 . 16732 1 835 . 1 1 83 83 THR HG23 H 1 1.180 0.001 . 1 . . . . 80 THR HG23 . 16732 1 836 . 1 1 83 83 THR C C 13 172.470 0.01 . 1 . . . . 80 THR C . 16732 1 837 . 1 1 83 83 THR CA C 13 66.500 0.01 . 1 . . . . 80 THR CA . 16732 1 838 . 1 1 83 83 THR CB C 13 69.850 0.01 . 1 . . . . 80 THR CB . 16732 1 839 . 1 1 83 83 THR N N 15 115.030 0.01 . 1 . . . . 80 THR N . 16732 1 840 . 1 1 84 84 LEU H H 1 7.161 0.001 . 1 . . . . 81 LEU H . 16732 1 841 . 1 1 84 84 LEU HA H 1 4.566 0.001 . 1 . . . . 81 LEU HA . 16732 1 842 . 1 1 84 84 LEU HB2 H 1 1.789 0.001 . 2 . . . . 81 LEU HB2 . 16732 1 843 . 1 1 84 84 LEU HB3 H 1 1.756 0.001 . 2 . . . . 81 LEU HB3 . 16732 1 844 . 1 1 84 84 LEU HD11 H 1 0.750 0.001 . 1 . . . . 81 LEU HD11 . 16732 1 845 . 1 1 84 84 LEU HD12 H 1 0.750 0.001 . 1 . . . . 81 LEU HD12 . 16732 1 846 . 1 1 84 84 LEU HD13 H 1 0.750 0.001 . 1 . . . . 81 LEU HD13 . 16732 1 847 . 1 1 84 84 LEU HD21 H 1 0.750 0.001 . 1 . . . . 81 LEU HD21 . 16732 1 848 . 1 1 84 84 LEU HD22 H 1 0.750 0.001 . 1 . . . . 81 LEU HD22 . 16732 1 849 . 1 1 84 84 LEU HD23 H 1 0.750 0.001 . 1 . . . . 81 LEU HD23 . 16732 1 850 . 1 1 84 84 LEU HG H 1 1.430 0.001 . 1 . . . . 81 LEU HG . 16732 1 851 . 1 1 84 84 LEU C C 13 177.300 0.01 . 1 . . . . 81 LEU C . 16732 1 852 . 1 1 84 84 LEU CA C 13 54.540 0.01 . 1 . . . . 81 LEU CA . 16732 1 853 . 1 1 84 84 LEU CB C 13 42.620 0.01 . 1 . . . . 81 LEU CB . 16732 1 854 . 1 1 84 84 LEU N N 15 121.090 0.01 . 1 . . . . 81 LEU N . 16732 1 855 . 1 1 85 85 THR H H 1 8.159 0.001 . 1 . . . . 82 THR H . 16732 1 856 . 1 1 85 85 THR HA H 1 4.596 0.001 . 1 . . . . 82 THR HA . 16732 1 857 . 1 1 85 85 THR HB H 1 4.080 0.001 . 1 . . . . 82 THR HB . 16732 1 858 . 1 1 85 85 THR HG21 H 1 1.377 0.001 . 1 . . . . 82 THR HG21 . 16732 1 859 . 1 1 85 85 THR HG22 H 1 1.377 0.001 . 1 . . . . 82 THR HG22 . 16732 1 860 . 1 1 85 85 THR HG23 H 1 1.377 0.001 . 1 . . . . 82 THR HG23 . 16732 1 861 . 1 1 85 85 THR C C 13 175.450 0.01 . 1 . . . . 82 THR C . 16732 1 862 . 1 1 85 85 THR CA C 13 61.870 0.01 . 1 . . . . 82 THR CA . 16732 1 863 . 1 1 85 85 THR CB C 13 71.130 0.01 . 1 . . . . 82 THR CB . 16732 1 864 . 1 1 85 85 THR N N 15 108.170 0.01 . 1 . . . . 82 THR N . 16732 1 865 . 1 1 86 86 TYR H H 1 9.325 0.001 . 1 . . . . 83 TYR H . 16732 1 866 . 1 1 86 86 TYR HA H 1 3.604 0.001 . 1 . . . . 83 TYR HA . 16732 1 867 . 1 1 86 86 TYR HB2 H 1 2.920 0.001 . 2 . . . . 83 TYR HB2 . 16732 1 868 . 1 1 86 86 TYR HB3 H 1 2.861 0.001 . 2 . . . . 83 TYR HB3 . 16732 1 869 . 1 1 86 86 TYR HD1 H 1 6.733 0.001 . 3 . . . . 83 TYR HD1 . 16732 1 870 . 1 1 86 86 TYR HD2 H 1 6.733 0.001 . 3 . . . . 83 TYR HD2 . 16732 1 871 . 1 1 86 86 TYR HE1 H 1 6.544 0.001 . 3 . . . . 83 TYR HE1 . 16732 1 872 . 1 1 86 86 TYR HE2 H 1 6.544 0.001 . 3 . . . . 83 TYR HE2 . 16732 1 873 . 1 1 86 86 TYR C C 13 176.580 0.01 . 1 . . . . 83 TYR C . 16732 1 874 . 1 1 86 86 TYR CA C 13 63.760 0.01 . 1 . . . . 83 TYR CA . 16732 1 875 . 1 1 86 86 TYR CB C 13 38.650 0.01 . 1 . . . . 83 TYR CB . 16732 1 876 . 1 1 86 86 TYR N N 15 122.150 0.01 . 1 . . . . 83 TYR N . 16732 1 877 . 1 1 87 87 ALA H H 1 8.738 0.001 . 1 . . . . 84 ALA H . 16732 1 878 . 1 1 87 87 ALA HA H 1 3.858 0.001 . 1 . . . . 84 ALA HA . 16732 1 879 . 1 1 87 87 ALA HB1 H 1 1.419 0.001 . 1 . . . . 84 ALA HB1 . 16732 1 880 . 1 1 87 87 ALA HB2 H 1 1.419 0.001 . 1 . . . . 84 ALA HB2 . 16732 1 881 . 1 1 87 87 ALA HB3 H 1 1.419 0.001 . 1 . . . . 84 ALA HB3 . 16732 1 882 . 1 1 87 87 ALA C C 13 181.720 0.01 . 1 . . . . 84 ALA C . 16732 1 883 . 1 1 87 87 ALA CA C 13 55.150 0.01 . 1 . . . . 84 ALA CA . 16732 1 884 . 1 1 87 87 ALA CB C 13 18.650 0.01 . 1 . . . . 84 ALA CB . 16732 1 885 . 1 1 87 87 ALA N N 15 117.770 0.01 . 1 . . . . 84 ALA N . 16732 1 886 . 1 1 88 88 GLU H H 1 7.603 0.001 . 1 . . . . 85 GLU H . 16732 1 887 . 1 1 88 88 GLU HA H 1 3.892 0.001 . 1 . . . . 85 GLU HA . 16732 1 888 . 1 1 88 88 GLU HB2 H 1 2.016 0.001 . 2 . . . . 85 GLU HB2 . 16732 1 889 . 1 1 88 88 GLU HB3 H 1 1.901 0.001 . 2 . . . . 85 GLU HB3 . 16732 1 890 . 1 1 88 88 GLU HG2 H 1 2.398 0.001 . 2 . . . . 85 GLU HG2 . 16732 1 891 . 1 1 88 88 GLU HG3 H 1 2.244 0.001 . 2 . . . . 85 GLU HG3 . 16732 1 892 . 1 1 88 88 GLU C C 13 179.270 0.01 . 1 . . . . 85 GLU C . 16732 1 893 . 1 1 88 88 GLU CA C 13 58.700 0.01 . 1 . . . . 85 GLU CA . 16732 1 894 . 1 1 88 88 GLU CB C 13 30.490 0.01 . 1 . . . . 85 GLU CB . 16732 1 895 . 1 1 88 88 GLU N N 15 118.040 0.01 . 1 . . . . 85 GLU N . 16732 1 896 . 1 1 89 89 ALA H H 1 8.851 0.001 . 1 . . . . 86 ALA H . 16732 1 897 . 1 1 89 89 ALA HA H 1 3.823 0.001 . 1 . . . . 86 ALA HA . 16732 1 898 . 1 1 89 89 ALA HB1 H 1 1.327 0.001 . 1 . . . . 86 ALA HB1 . 16732 1 899 . 1 1 89 89 ALA HB2 H 1 1.327 0.001 . 1 . . . . 86 ALA HB2 . 16732 1 900 . 1 1 89 89 ALA HB3 H 1 1.327 0.001 . 1 . . . . 86 ALA HB3 . 16732 1 901 . 1 1 89 89 ALA C C 13 178.990 0.01 . 1 . . . . 86 ALA C . 16732 1 902 . 1 1 89 89 ALA CA C 13 55.620 0.01 . 1 . . . . 86 ALA CA . 16732 1 903 . 1 1 89 89 ALA CB C 13 18.860 0.01 . 1 . . . . 86 ALA CB . 16732 1 904 . 1 1 89 89 ALA N N 15 125.310 0.01 . 1 . . . . 86 ALA N . 16732 1 905 . 1 1 90 90 VAL H H 1 8.284 0.001 . 1 . . . . 87 VAL H . 16732 1 906 . 1 1 90 90 VAL HA H 1 2.486 0.001 . 1 . . . . 87 VAL HA . 16732 1 907 . 1 1 90 90 VAL HB H 1 1.633 0.001 . 1 . . . . 87 VAL HB . 16732 1 908 . 1 1 90 90 VAL HG11 H 1 0.462 0.001 . 1 . . . . 87 VAL HG11 . 16732 1 909 . 1 1 90 90 VAL HG12 H 1 0.462 0.001 . 1 . . . . 87 VAL HG12 . 16732 1 910 . 1 1 90 90 VAL HG13 H 1 0.462 0.001 . 1 . . . . 87 VAL HG13 . 16732 1 911 . 1 1 90 90 VAL HG21 H 1 -0.030 0.001 . 1 . . . . 87 VAL HG21 . 16732 1 912 . 1 1 90 90 VAL HG22 H 1 -0.030 0.001 . 1 . . . . 87 VAL HG22 . 16732 1 913 . 1 1 90 90 VAL HG23 H 1 -0.030 0.001 . 1 . . . . 87 VAL HG23 . 16732 1 914 . 1 1 90 90 VAL C C 13 179.630 0.01 . 1 . . . . 87 VAL C . 16732 1 915 . 1 1 90 90 VAL CA C 13 66.970 0.01 . 1 . . . . 87 VAL CA . 16732 1 916 . 1 1 90 90 VAL CB C 13 31.480 0.01 . 1 . . . . 87 VAL CB . 16732 1 917 . 1 1 90 90 VAL N N 15 118.600 0.01 . 1 . . . . 87 VAL N . 16732 1 918 . 1 1 91 91 LYS H H 1 7.484 0.001 . 1 . . . . 88 LYS H . 16732 1 919 . 1 1 91 91 LYS HA H 1 3.901 0.001 . 1 . . . . 88 LYS HA . 16732 1 920 . 1 1 91 91 LYS HB2 H 1 1.884 0.001 . 2 . . . . 88 LYS HB2 . 16732 1 921 . 1 1 91 91 LYS HB3 H 1 1.839 0.001 . 2 . . . . 88 LYS HB3 . 16732 1 922 . 1 1 91 91 LYS HD2 H 1 1.633 0.001 . 2 . . . . 88 LYS HD2 . 16732 1 923 . 1 1 91 91 LYS HE2 H 1 2.916 0.001 . 2 . . . . 88 LYS HE2 . 16732 1 924 . 1 1 91 91 LYS HG2 H 1 1.525 0.001 . 2 . . . . 88 LYS HG2 . 16732 1 925 . 1 1 91 91 LYS HG3 H 1 1.355 0.001 . 2 . . . . 88 LYS HG3 . 16732 1 926 . 1 1 91 91 LYS C C 13 179.200 0.01 . 1 . . . . 88 LYS C . 16732 1 927 . 1 1 91 91 LYS CA C 13 60.540 0.01 . 1 . . . . 88 LYS CA . 16732 1 928 . 1 1 91 91 LYS CB C 13 32.550 0.01 . 1 . . . . 88 LYS CB . 16732 1 929 . 1 1 91 91 LYS N N 15 122.090 0.01 . 1 . . . . 88 LYS N . 16732 1 930 . 1 1 92 92 LYS H H 1 7.781 0.001 . 1 . . . . 89 LYS H . 16732 1 931 . 1 1 92 92 LYS HA H 1 4.093 0.001 . 1 . . . . 89 LYS HA . 16732 1 932 . 1 1 92 92 LYS HB2 H 1 1.830 0.001 . 2 . . . . 89 LYS HB2 . 16732 1 933 . 1 1 92 92 LYS HB3 H 1 1.673 0.001 . 2 . . . . 89 LYS HB3 . 16732 1 934 . 1 1 92 92 LYS HD2 H 1 1.548 0.001 . 2 . . . . 89 LYS HD2 . 16732 1 935 . 1 1 92 92 LYS HE2 H 1 2.897 0.001 . 2 . . . . 89 LYS HE2 . 16732 1 936 . 1 1 92 92 LYS HG2 H 1 1.440 0.001 . 2 . . . . 89 LYS HG2 . 16732 1 937 . 1 1 92 92 LYS HG3 H 1 1.260 0.001 . 2 . . . . 89 LYS HG3 . 16732 1 938 . 1 1 92 92 LYS C C 13 179.940 0.01 . 1 . . . . 89 LYS C . 16732 1 939 . 1 1 92 92 LYS CA C 13 59.500 0.01 . 1 . . . . 89 LYS CA . 16732 1 940 . 1 1 92 92 LYS CB C 13 32.760 0.01 . 1 . . . . 89 LYS CB . 16732 1 941 . 1 1 92 92 LYS N N 15 120.920 0.01 . 1 . . . . 89 LYS N . 16732 1 942 . 1 1 93 93 LEU H H 1 8.800 0.001 . 1 . . . . 90 LEU H . 16732 1 943 . 1 1 93 93 LEU HA H 1 4.011 0.001 . 1 . . . . 90 LEU HA . 16732 1 944 . 1 1 93 93 LEU HB2 H 1 1.743 0.001 . 2 . . . . 90 LEU HB2 . 16732 1 945 . 1 1 93 93 LEU HB3 H 1 1.603 0.001 . 2 . . . . 90 LEU HB3 . 16732 1 946 . 1 1 93 93 LEU HD11 H 1 0.745 0.001 . 1 . . . . 90 LEU HD11 . 16732 1 947 . 1 1 93 93 LEU HD12 H 1 0.745 0.001 . 1 . . . . 90 LEU HD12 . 16732 1 948 . 1 1 93 93 LEU HD13 H 1 0.745 0.001 . 1 . . . . 90 LEU HD13 . 16732 1 949 . 1 1 93 93 LEU HD21 H 1 0.553 0.001 . 1 . . . . 90 LEU HD21 . 16732 1 950 . 1 1 93 93 LEU HD22 H 1 0.553 0.001 . 1 . . . . 90 LEU HD22 . 16732 1 951 . 1 1 93 93 LEU HD23 H 1 0.553 0.001 . 1 . . . . 90 LEU HD23 . 16732 1 952 . 1 1 93 93 LEU HG H 1 1.396 0.001 . 1 . . . . 90 LEU HG . 16732 1 953 . 1 1 93 93 LEU C C 13 179.230 0.01 . 1 . . . . 90 LEU C . 16732 1 954 . 1 1 93 93 LEU CA C 13 58.790 0.01 . 1 . . . . 90 LEU CA . 16732 1 955 . 1 1 93 93 LEU CB C 13 43.040 0.01 . 1 . . . . 90 LEU CB . 16732 1 956 . 1 1 93 93 LEU N N 15 120.600 0.01 . 1 . . . . 90 LEU N . 16732 1 957 . 1 1 94 94 THR H H 1 8.631 0.001 . 1 . . . . 91 THR H . 16732 1 958 . 1 1 94 94 THR HA H 1 4.994 0.001 . 1 . . . . 91 THR HA . 16732 1 959 . 1 1 94 94 THR HB H 1 4.322 0.001 . 1 . . . . 91 THR HB . 16732 1 960 . 1 1 94 94 THR HG21 H 1 1.360 0.001 . 1 . . . . 91 THR HG21 . 16732 1 961 . 1 1 94 94 THR HG22 H 1 1.360 0.001 . 1 . . . . 91 THR HG22 . 16732 1 962 . 1 1 94 94 THR HG23 H 1 1.360 0.001 . 1 . . . . 91 THR HG23 . 16732 1 963 . 1 1 94 94 THR C C 13 179.270 0.01 . 1 . . . . 91 THR C . 16732 1 964 . 1 1 94 94 THR CA C 13 66.120 0.01 . 1 . . . . 91 THR CA . 16732 1 965 . 1 1 94 94 THR CB C 13 69.210 0.01 . 1 . . . . 91 THR CB . 16732 1 966 . 1 1 94 94 THR N N 15 118.010 0.01 . 1 . . . . 91 THR N . 16732 1 967 . 1 1 95 95 ALA H H 1 7.933 0.001 . 1 . . . . 92 ALA H . 16732 1 968 . 1 1 95 95 ALA HA H 1 4.191 0.001 . 1 . . . . 92 ALA HA . 16732 1 969 . 1 1 95 95 ALA HB1 H 1 1.531 0.001 . 1 . . . . 92 ALA HB1 . 16732 1 970 . 1 1 95 95 ALA HB2 H 1 1.531 0.001 . 1 . . . . 92 ALA HB2 . 16732 1 971 . 1 1 95 95 ALA HB3 H 1 1.531 0.001 . 1 . . . . 92 ALA HB3 . 16732 1 972 . 1 1 95 95 ALA C C 13 178.870 0.01 . 1 . . . . 92 ALA C . 16732 1 973 . 1 1 95 95 ALA CA C 13 54.920 0.01 . 1 . . . . 92 ALA CA . 16732 1 974 . 1 1 95 95 ALA CB C 13 17.650 0.01 . 1 . . . . 92 ALA CB . 16732 1 975 . 1 1 95 95 ALA N N 15 126.270 0.01 . 1 . . . . 92 ALA N . 16732 1 976 . 1 1 96 96 ALA H H 1 7.390 0.001 . 1 . . . . 93 ALA H . 16732 1 977 . 1 1 96 96 ALA HA H 1 4.445 0.001 . 1 . . . . 93 ALA HA . 16732 1 978 . 1 1 96 96 ALA HB1 H 1 1.805 0.001 . 1 . . . . 93 ALA HB1 . 16732 1 979 . 1 1 96 96 ALA HB2 H 1 1.805 0.001 . 1 . . . . 93 ALA HB2 . 16732 1 980 . 1 1 96 96 ALA HB3 H 1 1.805 0.001 . 1 . . . . 93 ALA HB3 . 16732 1 981 . 1 1 96 96 ALA C C 13 176.670 0.01 . 1 . . . . 93 ALA C . 16732 1 982 . 1 1 96 96 ALA CA C 13 52.650 0.01 . 1 . . . . 93 ALA CA . 16732 1 983 . 1 1 96 96 ALA CB C 13 19.140 0.01 . 1 . . . . 93 ALA CB . 16732 1 984 . 1 1 96 96 ALA N N 15 118.190 0.01 . 1 . . . . 93 ALA N . 16732 1 985 . 1 1 97 97 GLY H H 1 7.716 0.001 . 1 . . . . 94 GLY H . 16732 1 986 . 1 1 97 97 GLY HA2 H 1 4.139 0.001 . 2 . . . . 94 GLY HA2 . 16732 1 987 . 1 1 97 97 GLY HA3 H 1 3.536 0.001 . 2 . . . . 94 GLY HA3 . 16732 1 988 . 1 1 97 97 GLY C C 13 173.760 0.01 . 1 . . . . 94 GLY C . 16732 1 989 . 1 1 97 97 GLY CA C 13 44.510 0.01 . 1 . . . . 94 GLY CA . 16732 1 990 . 1 1 97 97 GLY N N 15 103.830 0.01 . 1 . . . . 94 GLY N . 16732 1 991 . 1 1 98 98 PHE H H 1 7.907 0.001 . 1 . . . . 95 PHE H . 16732 1 992 . 1 1 98 98 PHE HA H 1 4.416 0.001 . 1 . . . . 95 PHE HA . 16732 1 993 . 1 1 98 98 PHE HB2 H 1 2.779 0.001 . 2 . . . . 95 PHE HB2 . 16732 1 994 . 1 1 98 98 PHE HB3 H 1 2.751 0.001 . 2 . . . . 95 PHE HB3 . 16732 1 995 . 1 1 98 98 PHE HD1 H 1 7.411 0.001 . 3 . . . . 95 PHE HD1 . 16732 1 996 . 1 1 98 98 PHE HD2 H 1 7.411 0.001 . 3 . . . . 95 PHE HD2 . 16732 1 997 . 1 1 98 98 PHE HE1 H 1 7.018 0.001 . 3 . . . . 95 PHE HE1 . 16732 1 998 . 1 1 98 98 PHE HE2 H 1 7.018 0.001 . 3 . . . . 95 PHE HE2 . 16732 1 999 . 1 1 98 98 PHE HZ H 1 7.212 0.001 . 1 . . . . 95 PHE HZ . 16732 1 1000 . 1 1 98 98 PHE C C 13 174.750 0.01 . 1 . . . . 95 PHE C . 16732 1 1001 . 1 1 98 98 PHE CA C 13 59.600 0.01 . 1 . . . . 95 PHE CA . 16732 1 1002 . 1 1 98 98 PHE CB C 13 39.640 0.01 . 1 . . . . 95 PHE CB . 16732 1 1003 . 1 1 98 98 PHE N N 15 119.840 0.01 . 1 . . . . 95 PHE N . 16732 1 1004 . 1 1 99 99 GLY H H 1 7.865 0.001 . 1 . . . . 96 GLY H . 16732 1 1005 . 1 1 99 99 GLY HA2 H 1 4.470 0.001 . 2 . . . . 96 GLY HA2 . 16732 1 1006 . 1 1 99 99 GLY HA3 H 1 3.610 0.001 . 2 . . . . 96 GLY HA3 . 16732 1 1007 . 1 1 99 99 GLY C C 13 172.590 0.01 . 1 . . . . 96 GLY C . 16732 1 1008 . 1 1 99 99 GLY CA C 13 45.930 0.01 . 1 . . . . 96 GLY CA . 16732 1 1009 . 1 1 99 99 GLY N N 15 104.410 0.01 . 1 . . . . 96 GLY N . 16732 1 1010 . 1 1 100 100 ARG H H 1 7.707 0.001 . 1 . . . . 97 ARG H . 16732 1 1011 . 1 1 100 100 ARG HA H 1 4.351 0.001 . 1 . . . . 97 ARG HA . 16732 1 1012 . 1 1 100 100 ARG HB2 H 1 1.396 0.001 . 2 . . . . 97 ARG HB2 . 16732 1 1013 . 1 1 100 100 ARG HB3 H 1 0.836 0.001 . 2 . . . . 97 ARG HB3 . 16732 1 1014 . 1 1 100 100 ARG HD2 H 1 3.096 0.001 . 2 . . . . 97 ARG HD2 . 16732 1 1015 . 1 1 100 100 ARG HD3 H 1 2.967 0.001 . 2 . . . . 97 ARG HD3 . 16732 1 1016 . 1 1 100 100 ARG HE H 1 7.053 0.001 . 1 . . . . 97 ARG HE . 16732 1 1017 . 1 1 100 100 ARG HG2 H 1 1.574 0.001 . 2 . . . . 97 ARG HG2 . 16732 1 1018 . 1 1 100 100 ARG HG3 H 1 1.532 0.001 . 2 . . . . 97 ARG HG3 . 16732 1 1019 . 1 1 100 100 ARG C C 13 173.160 0.01 . 1 . . . . 97 ARG C . 16732 1 1020 . 1 1 100 100 ARG CA C 13 55.150 0.01 . 1 . . . . 97 ARG CA . 16732 1 1021 . 1 1 100 100 ARG CB C 13 32.620 0.01 . 1 . . . . 97 ARG CB . 16732 1 1022 . 1 1 100 100 ARG N N 15 123.000 0.01 . 1 . . . . 97 ARG N . 16732 1 1023 . 1 1 100 100 ARG NE N 15 84.790 0.01 . 1 . . . . 97 ARG NE . 16732 1 1024 . 1 1 101 101 PHE H H 1 8.270 0.001 . 1 . . . . 98 PHE H . 16732 1 1025 . 1 1 101 101 PHE HA H 1 5.892 0.001 . 1 . . . . 98 PHE HA . 16732 1 1026 . 1 1 101 101 PHE HB2 H 1 3.180 0.001 . 2 . . . . 98 PHE HB2 . 16732 1 1027 . 1 1 101 101 PHE HB3 H 1 2.676 0.001 . 2 . . . . 98 PHE HB3 . 16732 1 1028 . 1 1 101 101 PHE HD1 H 1 7.178 0.001 . 3 . . . . 98 PHE HD1 . 16732 1 1029 . 1 1 101 101 PHE HD2 H 1 7.178 0.001 . 3 . . . . 98 PHE HD2 . 16732 1 1030 . 1 1 101 101 PHE HE1 H 1 7.010 0.001 . 3 . . . . 98 PHE HE1 . 16732 1 1031 . 1 1 101 101 PHE HE2 H 1 7.010 0.001 . 3 . . . . 98 PHE HE2 . 16732 1 1032 . 1 1 101 101 PHE HZ H 1 6.807 0.001 . 1 . . . . 98 PHE HZ . 16732 1 1033 . 1 1 101 101 PHE C C 13 175.780 0.01 . 1 . . . . 98 PHE C . 16732 1 1034 . 1 1 101 101 PHE CA C 13 55.770 0.01 . 1 . . . . 98 PHE CA . 16732 1 1035 . 1 1 101 101 PHE CB C 13 43.610 0.01 . 1 . . . . 98 PHE CB . 16732 1 1036 . 1 1 101 101 PHE N N 15 121.420 0.01 . 1 . . . . 98 PHE N . 16732 1 1037 . 1 1 102 102 LYS H H 1 8.244 0.001 . 1 . . . . 99 LYS H . 16732 1 1038 . 1 1 102 102 LYS HA H 1 4.590 0.001 . 1 . . . . 99 LYS HA . 16732 1 1039 . 1 1 102 102 LYS HB2 H 1 1.735 0.001 . 2 . . . . 99 LYS HB2 . 16732 1 1040 . 1 1 102 102 LYS HB3 H 1 1.640 0.001 . 2 . . . . 99 LYS HB3 . 16732 1 1041 . 1 1 102 102 LYS HD2 H 1 1.538 0.001 . 2 . . . . 99 LYS HD2 . 16732 1 1042 . 1 1 102 102 LYS HE2 H 1 2.958 0.001 . 2 . . . . 99 LYS HE2 . 16732 1 1043 . 1 1 102 102 LYS HG2 H 1 1.357 0.001 . 2 . . . . 99 LYS HG2 . 16732 1 1044 . 1 1 102 102 LYS HG3 H 1 1.316 0.001 . 2 . . . . 99 LYS HG3 . 16732 1 1045 . 1 1 102 102 LYS C C 13 173.480 0.01 . 1 . . . . 99 LYS C . 16732 1 1046 . 1 1 102 102 LYS CA C 13 55.580 0.01 . 1 . . . . 99 LYS CA . 16732 1 1047 . 1 1 102 102 LYS CB C 13 37.020 0.01 . 1 . . . . 99 LYS CB . 16732 1 1048 . 1 1 102 102 LYS N N 15 121.070 0.01 . 1 . . . . 99 LYS N . 16732 1 1049 . 1 1 103 103 GLN H H 1 8.835 0.001 . 1 . . . . 100 GLN H . 16732 1 1050 . 1 1 103 103 GLN HA H 1 5.139 0.001 . 1 . . . . 100 GLN HA . 16732 1 1051 . 1 1 103 103 GLN HB2 H 1 1.757 0.001 . 2 . . . . 100 GLN HB2 . 16732 1 1052 . 1 1 103 103 GLN HB3 H 1 1.713 0.001 . 2 . . . . 100 GLN HB3 . 16732 1 1053 . 1 1 103 103 GLN HE21 H 1 6.827 0.001 . 2 . . . . 100 GLN HE21 . 16732 1 1054 . 1 1 103 103 GLN HE22 H 1 6.420 0.001 . 2 . . . . 100 GLN HE22 . 16732 1 1055 . 1 1 103 103 GLN HG2 H 1 2.088 0.001 . 2 . . . . 100 GLN HG2 . 16732 1 1056 . 1 1 103 103 GLN HG3 H 1 1.977 0.001 . 2 . . . . 100 GLN HG3 . 16732 1 1057 . 1 1 103 103 GLN C C 13 175.280 0.01 . 1 . . . . 100 GLN C . 16732 1 1058 . 1 1 103 103 GLN CA C 13 55.770 0.01 . 1 . . . . 100 GLN CA . 16732 1 1059 . 1 1 103 103 GLN CB C 13 29.990 0.01 . 1 . . . . 100 GLN CB . 16732 1 1060 . 1 1 103 103 GLN N N 15 125.470 0.01 . 1 . . . . 100 GLN N . 16732 1 1061 . 1 1 103 103 GLN NE2 N 15 109.930 0.01 . 1 . . . . 100 GLN NE2 . 16732 1 1062 . 1 1 104 104 ALA H H 1 8.982 0.001 . 1 . . . . 101 ALA H . 16732 1 1063 . 1 1 104 104 ALA HA H 1 4.667 0.001 . 1 . . . . 101 ALA HA . 16732 1 1064 . 1 1 104 104 ALA HB1 H 1 1.265 0.001 . 1 . . . . 101 ALA HB1 . 16732 1 1065 . 1 1 104 104 ALA HB2 H 1 1.265 0.001 . 1 . . . . 101 ALA HB2 . 16732 1 1066 . 1 1 104 104 ALA HB3 H 1 1.265 0.001 . 1 . . . . 101 ALA HB3 . 16732 1 1067 . 1 1 104 104 ALA C C 13 174.900 0.01 . 1 . . . . 101 ALA C . 16732 1 1068 . 1 1 104 104 ALA CA C 13 50.800 0.01 . 1 . . . . 101 ALA CA . 16732 1 1069 . 1 1 104 104 ALA CB C 13 22.970 0.01 . 1 . . . . 101 ALA CB . 16732 1 1070 . 1 1 104 104 ALA N N 15 130.430 0.01 . 1 . . . . 101 ALA N . 16732 1 1071 . 1 1 105 105 ASN H H 1 8.694 0.001 . 1 . . . . 102 ASN H . 16732 1 1072 . 1 1 105 105 ASN HA H 1 5.991 0.001 . 1 . . . . 102 ASN HA . 16732 1 1073 . 1 1 105 105 ASN HB2 H 1 2.551 0.001 . 2 . . . . 102 ASN HB2 . 16732 1 1074 . 1 1 105 105 ASN HB3 H 1 2.539 0.001 . 2 . . . . 102 ASN HB3 . 16732 1 1075 . 1 1 105 105 ASN HD21 H 1 7.365 0.001 . 2 . . . . 102 ASN HD21 . 16732 1 1076 . 1 1 105 105 ASN HD22 H 1 6.989 0.001 . 2 . . . . 102 ASN HD22 . 16732 1 1077 . 1 1 105 105 ASN C C 13 175.230 0.01 . 1 . . . . 102 ASN C . 16732 1 1078 . 1 1 105 105 ASN CA C 13 52.460 0.01 . 1 . . . . 102 ASN CA . 16732 1 1079 . 1 1 105 105 ASN CB C 13 42.120 0.01 . 1 . . . . 102 ASN CB . 16732 1 1080 . 1 1 105 105 ASN N N 15 118.440 0.01 . 1 . . . . 102 ASN N . 16732 1 1081 . 1 1 105 105 ASN ND2 N 15 113.030 0.01 . 1 . . . . 102 ASN ND2 . 16732 1 1082 . 1 1 106 106 SER H H 1 8.285 0.001 . 1 . . . . 103 SER H . 16732 1 1083 . 1 1 106 106 SER HA H 1 4.966 0.001 . 1 . . . . 103 SER HA . 16732 1 1084 . 1 1 106 106 SER HB2 H 1 3.488 0.001 . 2 . . . . 103 SER HB2 . 16732 1 1085 . 1 1 106 106 SER HB3 H 1 3.474 0.001 . 2 . . . . 103 SER HB3 . 16732 1 1086 . 1 1 106 106 SER C C 13 171.560 0.01 . 1 . . . . 103 SER C . 16732 1 1087 . 1 1 106 106 SER CA C 13 55.580 0.01 . 1 . . . . 103 SER CA . 16732 1 1088 . 1 1 106 106 SER CB C 13 67.020 0.01 . 1 . . . . 103 SER CB . 16732 1 1089 . 1 1 106 106 SER N N 15 116.770 0.01 . 1 . . . . 103 SER N . 16732 1 1090 . 1 1 107 107 PRO HA H 1 4.689 0.001 . 1 . . . . 104 PRO HA . 16732 1 1091 . 1 1 107 107 PRO HB2 H 1 2.376 0.001 . 2 . . . . 104 PRO HB2 . 16732 1 1092 . 1 1 107 107 PRO HB3 H 1 1.825 0.001 . 2 . . . . 104 PRO HB3 . 16732 1 1093 . 1 1 107 107 PRO HD2 H 1 3.880 0.001 . 2 . . . . 104 PRO HD2 . 16732 1 1094 . 1 1 107 107 PRO HD3 H 1 3.685 0.001 . 2 . . . . 104 PRO HD3 . 16732 1 1095 . 1 1 107 107 PRO HG2 H 1 2.057 0.001 . 2 . . . . 104 PRO HG2 . 16732 1 1096 . 1 1 107 107 PRO HG3 H 1 2.043 0.001 . 2 . . . . 104 PRO HG3 . 16732 1 1097 . 1 1 107 107 PRO C C 13 176.270 0.01 . 1 . . . . 104 PRO C . 16732 1 1098 . 1 1 107 107 PRO CA C 13 63.760 0.01 . 1 . . . . 104 PRO CA . 16732 1 1099 . 1 1 107 107 PRO CB C 13 32.480 0.01 . 1 . . . . 104 PRO CB . 16732 1 1100 . 1 1 108 108 SER H H 1 8.788 0.001 . 1 . . . . 105 SER H . 16732 1 1101 . 1 1 108 108 SER HA H 1 3.505 0.001 . 1 . . . . 105 SER HA . 16732 1 1102 . 1 1 108 108 SER HB2 H 1 4.937 0.001 . 2 . . . . 105 SER HB2 . 16732 1 1103 . 1 1 108 108 SER HB3 H 1 3.689 0.001 . 2 . . . . 105 SER HB3 . 16732 1 1104 . 1 1 108 108 SER C C 13 173.710 0.01 . 1 . . . . 105 SER C . 16732 1 1105 . 1 1 108 108 SER CA C 13 57.560 0.01 . 1 . . . . 105 SER CA . 16732 1 1106 . 1 1 108 108 SER CB C 13 69.360 0.01 . 1 . . . . 105 SER CB . 16732 1 1107 . 1 1 108 108 SER N N 15 117.710 0.01 . 1 . . . . 105 SER N . 16732 1 1108 . 1 1 109 109 THR H H 1 7.979 0.001 . 1 . . . . 106 THR H . 16732 1 1109 . 1 1 109 109 THR HA H 1 4.607 0.001 . 1 . . . . 106 THR HA . 16732 1 1110 . 1 1 109 109 THR HB H 1 3.990 0.001 . 1 . . . . 106 THR HB . 16732 1 1111 . 1 1 109 109 THR HG21 H 1 1.357 0.001 . 1 . . . . 106 THR HG21 . 16732 1 1112 . 1 1 109 109 THR HG22 H 1 1.357 0.001 . 1 . . . . 106 THR HG22 . 16732 1 1113 . 1 1 109 109 THR HG23 H 1 1.357 0.001 . 1 . . . . 106 THR HG23 . 16732 1 1114 . 1 1 109 109 THR C C 13 175.830 0.01 . 1 . . . . 106 THR C . 16732 1 1115 . 1 1 109 109 THR CA C 13 60.640 0.01 . 1 . . . . 106 THR CA . 16732 1 1116 . 1 1 109 109 THR CB C 13 67.650 0.01 . 1 . . . . 106 THR CB . 16732 1 1117 . 1 1 109 109 THR N N 15 110.000 0.01 . 1 . . . . 106 THR N . 16732 1 1118 . 1 1 110 110 PRO HA H 1 3.920 0.001 . 1 . . . . 107 PRO HA . 16732 1 1119 . 1 1 110 110 PRO HB2 H 1 2.333 0.001 . 2 . . . . 107 PRO HB2 . 16732 1 1120 . 1 1 110 110 PRO HB3 H 1 1.902 0.001 . 2 . . . . 107 PRO HB3 . 16732 1 1121 . 1 1 110 110 PRO HG2 H 1 2.208 0.001 . 2 . . . . 107 PRO HG2 . 16732 1 1122 . 1 1 110 110 PRO HG3 H 1 2.180 0.001 . 2 . . . . 107 PRO HG3 . 16732 1 1123 . 1 1 110 110 PRO C C 13 179.500 0.01 . 1 . . . . 107 PRO C . 16732 1 1124 . 1 1 110 110 PRO CA C 13 65.880 0.01 . 1 . . . . 107 PRO CA . 16732 1 1125 . 1 1 110 110 PRO CB C 13 31.630 0.01 . 1 . . . . 107 PRO CB . 16732 1 1126 . 1 1 111 111 GLU H H 1 9.073 0.001 . 1 . . . . 108 GLU H . 16732 1 1127 . 1 1 111 111 GLU HA H 1 4.158 0.001 . 1 . . . . 108 GLU HA . 16732 1 1128 . 1 1 111 111 GLU HB2 H 1 2.016 0.001 . 2 . . . . 108 GLU HB2 . 16732 1 1129 . 1 1 111 111 GLU HB3 H 1 1.899 0.001 . 2 . . . . 108 GLU HB3 . 16732 1 1130 . 1 1 111 111 GLU HG2 H 1 2.355 0.001 . 2 . . . . 108 GLU HG2 . 16732 1 1131 . 1 1 111 111 GLU HG3 H 1 2.193 0.001 . 2 . . . . 108 GLU HG3 . 16732 1 1132 . 1 1 111 111 GLU C C 13 177.280 0.01 . 1 . . . . 108 GLU C . 16732 1 1133 . 1 1 111 111 GLU CA C 13 58.890 0.01 . 1 . . . . 108 GLU CA . 16732 1 1134 . 1 1 111 111 GLU CB C 13 28.290 0.01 . 1 . . . . 108 GLU CB . 16732 1 1135 . 1 1 111 111 GLU N N 15 115.700 0.01 . 1 . . . . 108 GLU N . 16732 1 1136 . 1 1 112 112 LEU H H 1 7.361 0.001 . 1 . . . . 109 LEU H . 16732 1 1137 . 1 1 112 112 LEU HA H 1 4.289 0.001 . 1 . . . . 109 LEU HA . 16732 1 1138 . 1 1 112 112 LEU HB2 H 1 1.833 0.001 . 2 . . . . 109 LEU HB2 . 16732 1 1139 . 1 1 112 112 LEU HB3 H 1 1.461 0.001 . 2 . . . . 109 LEU HB3 . 16732 1 1140 . 1 1 112 112 LEU HD11 H 1 0.923 0.001 . 1 . . . . 109 LEU HD11 . 16732 1 1141 . 1 1 112 112 LEU HD12 H 1 0.923 0.001 . 1 . . . . 109 LEU HD12 . 16732 1 1142 . 1 1 112 112 LEU HD13 H 1 0.923 0.001 . 1 . . . . 109 LEU HD13 . 16732 1 1143 . 1 1 112 112 LEU HD21 H 1 0.780 0.001 . 1 . . . . 109 LEU HD21 . 16732 1 1144 . 1 1 112 112 LEU HD22 H 1 0.780 0.001 . 1 . . . . 109 LEU HD22 . 16732 1 1145 . 1 1 112 112 LEU HD23 H 1 0.780 0.001 . 1 . . . . 109 LEU HD23 . 16732 1 1146 . 1 1 112 112 LEU HG H 1 1.387 0.001 . 1 . . . . 109 LEU HG . 16732 1 1147 . 1 1 112 112 LEU C C 13 175.910 0.01 . 1 . . . . 109 LEU C . 16732 1 1148 . 1 1 112 112 LEU CA C 13 53.880 0.01 . 1 . . . . 109 LEU CA . 16732 1 1149 . 1 1 112 112 LEU CB C 13 42.830 0.01 . 1 . . . . 109 LEU CB . 16732 1 1150 . 1 1 112 112 LEU N N 15 120.140 0.01 . 1 . . . . 109 LEU N . 16732 1 1151 . 1 1 113 113 VAL H H 1 7.025 0.001 . 1 . . . . 110 VAL H . 16732 1 1152 . 1 1 113 113 VAL HA H 1 3.242 0.001 . 1 . . . . 110 VAL HA . 16732 1 1153 . 1 1 113 113 VAL HB H 1 1.867 0.001 . 1 . . . . 110 VAL HB . 16732 1 1154 . 1 1 113 113 VAL HG11 H 1 0.876 0.001 . 1 . . . . 110 VAL HG11 . 16732 1 1155 . 1 1 113 113 VAL HG12 H 1 0.876 0.001 . 1 . . . . 110 VAL HG12 . 16732 1 1156 . 1 1 113 113 VAL HG13 H 1 0.876 0.001 . 1 . . . . 110 VAL HG13 . 16732 1 1157 . 1 1 113 113 VAL HG21 H 1 0.846 0.001 . 1 . . . . 110 VAL HG21 . 16732 1 1158 . 1 1 113 113 VAL HG22 H 1 0.846 0.001 . 1 . . . . 110 VAL HG22 . 16732 1 1159 . 1 1 113 113 VAL HG23 H 1 0.846 0.001 . 1 . . . . 110 VAL HG23 . 16732 1 1160 . 1 1 113 113 VAL C C 13 178.570 0.01 . 1 . . . . 110 VAL C . 16732 1 1161 . 1 1 113 113 VAL CA C 13 65.220 0.01 . 1 . . . . 110 VAL CA . 16732 1 1162 . 1 1 113 113 VAL CB C 13 31.480 0.01 . 1 . . . . 110 VAL CB . 16732 1 1163 . 1 1 113 113 VAL N N 15 121.050 0.01 . 1 . . . . 110 VAL N . 16732 1 1164 . 1 1 114 114 GLY H H 1 9.058 0.001 . 1 . . . . 111 GLY H . 16732 1 1165 . 1 1 114 114 GLY HA2 H 1 4.148 0.001 . 2 . . . . 111 GLY HA2 . 16732 1 1166 . 1 1 114 114 GLY HA3 H 1 3.579 0.001 . 2 . . . . 111 GLY HA3 . 16732 1 1167 . 1 1 114 114 GLY C C 13 173.590 0.01 . 1 . . . . 111 GLY C . 16732 1 1168 . 1 1 114 114 GLY CA C 13 45.890 0.01 . 1 . . . . 111 GLY CA . 16732 1 1169 . 1 1 114 114 GLY N N 15 115.440 0.01 . 1 . . . . 111 GLY N . 16732 1 1170 . 1 1 115 115 LYS H H 1 8.356 0.001 . 1 . . . . 112 LYS H . 16732 1 1171 . 1 1 115 115 LYS HA H 1 4.856 0.001 . 1 . . . . 112 LYS HA . 16732 1 1172 . 1 1 115 115 LYS HB2 H 1 1.680 0.001 . 2 . . . . 112 LYS HB2 . 16732 1 1173 . 1 1 115 115 LYS HB3 H 1 1.649 0.001 . 2 . . . . 112 LYS HB3 . 16732 1 1174 . 1 1 115 115 LYS HD2 H 1 1.506 0.001 . 2 . . . . 112 LYS HD2 . 16732 1 1175 . 1 1 115 115 LYS HG2 H 1 1.356 0.001 . 2 . . . . 112 LYS HG2 . 16732 1 1176 . 1 1 115 115 LYS HG3 H 1 1.321 0.001 . 2 . . . . 112 LYS HG3 . 16732 1 1177 . 1 1 115 115 LYS C C 13 174.960 0.01 . 1 . . . . 112 LYS C . 16732 1 1178 . 1 1 115 115 LYS CA C 13 52.790 0.01 . 1 . . . . 112 LYS CA . 16732 1 1179 . 1 1 115 115 LYS CB C 13 35.670 0.01 . 1 . . . . 112 LYS CB . 16732 1 1180 . 1 1 115 115 LYS N N 15 120.510 0.01 . 1 . . . . 112 LYS N . 16732 1 1181 . 1 1 116 116 VAL H H 1 9.207 0.001 . 1 . . . . 113 VAL H . 16732 1 1182 . 1 1 116 116 VAL HA H 1 4.286 0.001 . 1 . . . . 113 VAL HA . 16732 1 1183 . 1 1 116 116 VAL HB H 1 2.215 0.001 . 1 . . . . 113 VAL HB . 16732 1 1184 . 1 1 116 116 VAL HG11 H 1 0.754 0.001 . 1 . . . . 113 VAL HG11 . 16732 1 1185 . 1 1 116 116 VAL HG12 H 1 0.754 0.001 . 1 . . . . 113 VAL HG12 . 16732 1 1186 . 1 1 116 116 VAL HG13 H 1 0.754 0.001 . 1 . . . . 113 VAL HG13 . 16732 1 1187 . 1 1 116 116 VAL HG21 H 1 0.710 0.001 . 1 . . . . 113 VAL HG21 . 16732 1 1188 . 1 1 116 116 VAL HG22 H 1 0.710 0.001 . 1 . . . . 113 VAL HG22 . 16732 1 1189 . 1 1 116 116 VAL HG23 H 1 0.710 0.001 . 1 . . . . 113 VAL HG23 . 16732 1 1190 . 1 1 116 116 VAL C C 13 177.450 0.01 . 1 . . . . 113 VAL C . 16732 1 1191 . 1 1 116 116 VAL CA C 13 63.800 0.01 . 1 . . . . 113 VAL CA . 16732 1 1192 . 1 1 116 116 VAL CB C 13 31.770 0.01 . 1 . . . . 113 VAL CB . 16732 1 1193 . 1 1 116 116 VAL N N 15 120.140 0.01 . 1 . . . . 113 VAL N . 16732 1 1194 . 1 1 117 117 ILE H H 1 9.619 0.001 . 1 . . . . 114 ILE H . 16732 1 1195 . 1 1 117 117 ILE HA H 1 4.299 0.001 . 1 . . . . 114 ILE HA . 16732 1 1196 . 1 1 117 117 ILE HB H 1 1.779 0.001 . 1 . . . . 114 ILE HB . 16732 1 1197 . 1 1 117 117 ILE HD11 H 1 0.754 0.001 . 1 . . . . 114 ILE HD11 . 16732 1 1198 . 1 1 117 117 ILE HD12 H 1 0.754 0.001 . 1 . . . . 114 ILE HD12 . 16732 1 1199 . 1 1 117 117 ILE HD13 H 1 0.754 0.001 . 1 . . . . 114 ILE HD13 . 16732 1 1200 . 1 1 117 117 ILE HG12 H 1 1.580 0.001 . 2 . . . . 114 ILE HG12 . 16732 1 1201 . 1 1 117 117 ILE HG13 H 1 1.385 0.001 . 2 . . . . 114 ILE HG13 . 16732 1 1202 . 1 1 117 117 ILE HG21 H 1 0.947 0.001 . 1 . . . . 114 ILE HG21 . 16732 1 1203 . 1 1 117 117 ILE HG22 H 1 0.947 0.001 . 1 . . . . 114 ILE HG22 . 16732 1 1204 . 1 1 117 117 ILE HG23 H 1 0.947 0.001 . 1 . . . . 114 ILE HG23 . 16732 1 1205 . 1 1 117 117 ILE C C 13 176.580 0.01 . 1 . . . . 114 ILE C . 16732 1 1206 . 1 1 117 117 ILE CA C 13 61.630 0.01 . 1 . . . . 114 ILE CA . 16732 1 1207 . 1 1 117 117 ILE CB C 13 39.500 0.01 . 1 . . . . 114 ILE CB . 16732 1 1208 . 1 1 117 117 ILE N N 15 126.610 0.01 . 1 . . . . 114 ILE N . 16732 1 1209 . 1 1 118 118 GLY H H 1 7.574 0.001 . 1 . . . . 115 GLY H . 16732 1 1210 . 1 1 118 118 GLY HA2 H 1 4.300 0.001 . 2 . . . . 115 GLY HA2 . 16732 1 1211 . 1 1 118 118 GLY HA3 H 1 4.181 0.001 . 2 . . . . 115 GLY HA3 . 16732 1 1212 . 1 1 118 118 GLY C C 13 170.210 0.01 . 1 . . . . 115 GLY C . 16732 1 1213 . 1 1 118 118 GLY CA C 13 44.560 0.01 . 1 . . . . 115 GLY CA . 16732 1 1214 . 1 1 118 118 GLY N N 15 108.440 0.01 . 1 . . . . 115 GLY N . 16732 1 1215 . 1 1 119 119 THR H H 1 8.288 0.001 . 1 . . . . 116 THR H . 16732 1 1216 . 1 1 119 119 THR HA H 1 5.364 0.001 . 1 . . . . 116 THR HA . 16732 1 1217 . 1 1 119 119 THR HB H 1 4.080 0.001 . 1 . . . . 116 THR HB . 16732 1 1218 . 1 1 119 119 THR HG1 H 1 6.185 0.001 . 1 . . . . 116 THR HG1 . 16732 1 1219 . 1 1 119 119 THR HG21 H 1 0.903 0.001 . 1 . . . . 116 THR HG21 . 16732 1 1220 . 1 1 119 119 THR HG22 H 1 0.903 0.001 . 1 . . . . 116 THR HG22 . 16732 1 1221 . 1 1 119 119 THR HG23 H 1 0.903 0.001 . 1 . . . . 116 THR HG23 . 16732 1 1222 . 1 1 119 119 THR C C 13 174.940 0.01 . 1 . . . . 116 THR C . 16732 1 1223 . 1 1 119 119 THR CA C 13 59.310 0.01 . 1 . . . . 116 THR CA . 16732 1 1224 . 1 1 119 119 THR CB C 13 73.470 0.01 . 1 . . . . 116 THR CB . 16732 1 1225 . 1 1 119 119 THR N N 15 107.600 0.01 . 1 . . . . 116 THR N . 16732 1 1226 . 1 1 120 120 ASN H H 1 8.964 0.001 . 1 . . . . 117 ASN H . 16732 1 1227 . 1 1 120 120 ASN HA H 1 4.571 0.001 . 1 . . . . 117 ASN HA . 16732 1 1228 . 1 1 120 120 ASN HB2 H 1 2.864 0.001 . 2 . . . . 117 ASN HB2 . 16732 1 1229 . 1 1 120 120 ASN HB3 H 1 2.514 0.001 . 2 . . . . 117 ASN HB3 . 16732 1 1230 . 1 1 120 120 ASN HD21 H 1 7.474 0.001 . 2 . . . . 117 ASN HD21 . 16732 1 1231 . 1 1 120 120 ASN HD22 H 1 6.956 0.001 . 2 . . . . 117 ASN HD22 . 16732 1 1232 . 1 1 120 120 ASN C C 13 173.420 0.01 . 1 . . . . 117 ASN C . 16732 1 1233 . 1 1 120 120 ASN CA C 13 50.710 0.01 . 1 . . . . 117 ASN CA . 16732 1 1234 . 1 1 120 120 ASN CB C 13 41.480 0.01 . 1 . . . . 117 ASN CB . 16732 1 1235 . 1 1 120 120 ASN N N 15 117.480 0.01 . 1 . . . . 117 ASN N . 16732 1 1236 . 1 1 120 120 ASN ND2 N 15 110.440 0.01 . 1 . . . . 117 ASN ND2 . 16732 1 1237 . 1 1 121 121 PRO HD2 H 1 4.093 0.001 . 2 . . . . 118 PRO HD2 . 16732 1 1238 . 1 1 121 121 PRO HD3 H 1 4.058 0.001 . 2 . . . . 118 PRO HD3 . 16732 1 1239 . 1 1 122 122 PRO HA H 1 4.603 0.001 . 1 . . . . 119 PRO HA . 16732 1 1240 . 1 1 122 122 PRO HB2 H 1 2.287 0.001 . 2 . . . . 119 PRO HB2 . 16732 1 1241 . 1 1 122 122 PRO HB3 H 1 2.022 0.001 . 2 . . . . 119 PRO HB3 . 16732 1 1242 . 1 1 122 122 PRO HG2 H 1 1.885 0.001 . 2 . . . . 119 PRO HG2 . 16732 1 1243 . 1 1 122 122 PRO HG3 H 1 1.860 0.001 . 2 . . . . 119 PRO HG3 . 16732 1 1244 . 1 1 122 122 PRO C C 13 174.110 0.01 . 1 . . . . 119 PRO C . 16732 1 1245 . 1 1 122 122 PRO CA C 13 62.430 0.01 . 1 . . . . 119 PRO CA . 16732 1 1246 . 1 1 122 122 PRO CB C 13 33.970 0.01 . 1 . . . . 119 PRO CB . 16732 1 1247 . 1 1 123 123 ALA H H 1 7.981 0.001 . 1 . . . . 120 ALA H . 16732 1 1248 . 1 1 123 123 ALA HA H 1 3.601 0.001 . 1 . . . . 120 ALA HA . 16732 1 1249 . 1 1 123 123 ALA HB1 H 1 1.295 0.001 . 1 . . . . 120 ALA HB1 . 16732 1 1250 . 1 1 123 123 ALA HB2 H 1 1.295 0.001 . 1 . . . . 120 ALA HB2 . 16732 1 1251 . 1 1 123 123 ALA HB3 H 1 1.295 0.001 . 1 . . . . 120 ALA HB3 . 16732 1 1252 . 1 1 123 123 ALA C C 13 178.780 0.01 . 1 . . . . 120 ALA C . 16732 1 1253 . 1 1 123 123 ALA CA C 13 53.260 0.01 . 1 . . . . 120 ALA CA . 16732 1 1254 . 1 1 123 123 ALA CB C 13 18.790 0.01 . 1 . . . . 120 ALA CB . 16732 1 1255 . 1 1 123 123 ALA N N 15 117.660 0.01 . 1 . . . . 120 ALA N . 16732 1 1256 . 1 1 124 124 ASN H H 1 9.372 0.001 . 1 . . . . 121 ASN H . 16732 1 1257 . 1 1 124 124 ASN HA H 1 4.224 0.001 . 1 . . . . 121 ASN HA . 16732 1 1258 . 1 1 124 124 ASN HB2 H 1 3.207 0.001 . 2 . . . . 121 ASN HB2 . 16732 1 1259 . 1 1 124 124 ASN HB3 H 1 2.964 0.001 . 2 . . . . 121 ASN HB3 . 16732 1 1260 . 1 1 124 124 ASN HD21 H 1 7.597 0.001 . 2 . . . . 121 ASN HD21 . 16732 1 1261 . 1 1 124 124 ASN HD22 H 1 7.023 0.001 . 2 . . . . 121 ASN HD22 . 16732 1 1262 . 1 1 124 124 ASN C C 13 174.660 0.01 . 1 . . . . 121 ASN C . 16732 1 1263 . 1 1 124 124 ASN CA C 13 55.720 0.01 . 1 . . . . 121 ASN CA . 16732 1 1264 . 1 1 124 124 ASN CB C 13 37.370 0.01 . 1 . . . . 121 ASN CB . 16732 1 1265 . 1 1 124 124 ASN N N 15 113.300 0.01 . 1 . . . . 121 ASN N . 16732 1 1266 . 1 1 124 124 ASN ND2 N 15 113.050 0.01 . 1 . . . . 121 ASN ND2 . 16732 1 1267 . 1 1 125 125 GLN H H 1 7.855 0.001 . 1 . . . . 122 GLN H . 16732 1 1268 . 1 1 125 125 GLN HA H 1 4.467 0.001 . 1 . . . . 122 GLN HA . 16732 1 1269 . 1 1 125 125 GLN HB2 H 1 2.155 0.001 . 2 . . . . 122 GLN HB2 . 16732 1 1270 . 1 1 125 125 GLN HB3 H 1 2.015 0.001 . 2 . . . . 122 GLN HB3 . 16732 1 1271 . 1 1 125 125 GLN HE21 H 1 7.790 0.001 . 2 . . . . 122 GLN HE21 . 16732 1 1272 . 1 1 125 125 GLN HE22 H 1 7.057 0.001 . 2 . . . . 122 GLN HE22 . 16732 1 1273 . 1 1 125 125 GLN HG2 H 1 2.421 0.001 . 2 . . . . 122 GLN HG2 . 16732 1 1274 . 1 1 125 125 GLN HG3 H 1 2.387 0.001 . 2 . . . . 122 GLN HG3 . 16732 1 1275 . 1 1 125 125 GLN C C 13 175.420 0.01 . 1 . . . . 122 GLN C . 16732 1 1276 . 1 1 125 125 GLN CA C 13 55.530 0.01 . 1 . . . . 122 GLN CA . 16732 1 1277 . 1 1 125 125 GLN CB C 13 29.920 0.01 . 1 . . . . 122 GLN CB . 16732 1 1278 . 1 1 125 125 GLN N N 15 119.610 0.01 . 1 . . . . 122 GLN N . 16732 1 1279 . 1 1 125 125 GLN NE2 N 15 113.660 0.01 . 1 . . . . 122 GLN NE2 . 16732 1 1280 . 1 1 126 126 THR H H 1 8.614 0.001 . 1 . . . . 123 THR H . 16732 1 1281 . 1 1 126 126 THR HA H 1 4.741 0.001 . 1 . . . . 123 THR HA . 16732 1 1282 . 1 1 126 126 THR HB H 1 3.916 0.001 . 1 . . . . 123 THR HB . 16732 1 1283 . 1 1 126 126 THR HG21 H 1 1.044 0.001 . 1 . . . . 123 THR HG21 . 16732 1 1284 . 1 1 126 126 THR HG22 H 1 1.044 0.001 . 1 . . . . 123 THR HG22 . 16732 1 1285 . 1 1 126 126 THR HG23 H 1 1.044 0.001 . 1 . . . . 123 THR HG23 . 16732 1 1286 . 1 1 126 126 THR C C 13 174.580 0.01 . 1 . . . . 123 THR C . 16732 1 1287 . 1 1 126 126 THR CA C 13 62.340 0.01 . 1 . . . . 123 THR CA . 16732 1 1288 . 1 1 126 126 THR CB C 13 70.140 0.01 . 1 . . . . 123 THR CB . 16732 1 1289 . 1 1 126 126 THR N N 15 117.230 0.01 . 1 . . . . 123 THR N . 16732 1 1290 . 1 1 127 127 SER H H 1 8.914 0.001 . 1 . . . . 124 SER H . 16732 1 1291 . 1 1 127 127 SER HA H 1 4.732 0.001 . 1 . . . . 124 SER HA . 16732 1 1292 . 1 1 127 127 SER HB2 H 1 3.623 0.001 . 2 . . . . 124 SER HB2 . 16732 1 1293 . 1 1 127 127 SER HB3 H 1 3.585 0.001 . 2 . . . . 124 SER HB3 . 16732 1 1294 . 1 1 127 127 SER C C 13 173.650 0.01 . 1 . . . . 124 SER C . 16732 1 1295 . 1 1 127 127 SER CA C 13 57.000 0.01 . 1 . . . . 124 SER CA . 16732 1 1296 . 1 1 127 127 SER CB C 13 66.590 0.01 . 1 . . . . 124 SER CB . 16732 1 1297 . 1 1 127 127 SER N N 15 118.150 0.01 . 1 . . . . 124 SER N . 16732 1 1298 . 1 1 128 128 ALA H H 1 8.604 0.001 . 1 . . . . 125 ALA H . 16732 1 1299 . 1 1 128 128 ALA HA H 1 4.751 0.001 . 1 . . . . 125 ALA HA . 16732 1 1300 . 1 1 128 128 ALA HB1 H 1 1.397 0.001 . 1 . . . . 125 ALA HB1 . 16732 1 1301 . 1 1 128 128 ALA HB2 H 1 1.397 0.001 . 1 . . . . 125 ALA HB2 . 16732 1 1302 . 1 1 128 128 ALA HB3 H 1 1.397 0.001 . 1 . . . . 125 ALA HB3 . 16732 1 1303 . 1 1 128 128 ALA C C 13 181.650 0.01 . 1 . . . . 125 ALA C . 16732 1 1304 . 1 1 128 128 ALA CA C 13 52.840 0.01 . 1 . . . . 125 ALA CA . 16732 1 1305 . 1 1 128 128 ALA CB C 13 18.790 0.01 . 1 . . . . 125 ALA CB . 16732 1 1306 . 1 1 128 128 ALA N N 15 128.440 0.01 . 1 . . . . 125 ALA N . 16732 1 1307 . 1 1 129 129 ILE H H 1 8.582 0.001 . 1 . . . . 126 ILE H . 16732 1 1308 . 1 1 129 129 ILE HA H 1 4.148 0.001 . 1 . . . . 126 ILE HA . 16732 1 1309 . 1 1 129 129 ILE HB H 1 1.369 0.001 . 1 . . . . 126 ILE HB . 16732 1 1310 . 1 1 129 129 ILE HD11 H 1 0.254 0.001 . 1 . . . . 126 ILE HD11 . 16732 1 1311 . 1 1 129 129 ILE HD12 H 1 0.254 0.001 . 1 . . . . 126 ILE HD12 . 16732 1 1312 . 1 1 129 129 ILE HD13 H 1 0.254 0.001 . 1 . . . . 126 ILE HD13 . 16732 1 1313 . 1 1 129 129 ILE HG12 H 1 1.224 0.001 . 2 . . . . 126 ILE HG12 . 16732 1 1314 . 1 1 129 129 ILE HG13 H 1 1.187 0.001 . 2 . . . . 126 ILE HG13 . 16732 1 1315 . 1 1 129 129 ILE HG21 H 1 0.692 0.001 . 1 . . . . 126 ILE HG21 . 16732 1 1316 . 1 1 129 129 ILE HG22 H 1 0.692 0.001 . 1 . . . . 126 ILE HG22 . 16732 1 1317 . 1 1 129 129 ILE HG23 H 1 0.692 0.001 . 1 . . . . 126 ILE HG23 . 16732 1 1318 . 1 1 129 129 ILE C C 13 176.960 0.01 . 1 . . . . 126 ILE C . 16732 1 1319 . 1 1 129 129 ILE CA C 13 64.140 0.01 . 1 . . . . 126 ILE CA . 16732 1 1320 . 1 1 129 129 ILE CB C 13 37.160 0.01 . 1 . . . . 126 ILE CB . 16732 1 1321 . 1 1 129 129 ILE N N 15 116.500 0.01 . 1 . . . . 126 ILE N . 16732 1 1322 . 1 1 130 130 THR H H 1 7.173 0.001 . 1 . . . . 127 THR H . 16732 1 1323 . 1 1 130 130 THR HA H 1 4.154 0.001 . 1 . . . . 127 THR HA . 16732 1 1324 . 1 1 130 130 THR HB H 1 4.423 0.001 . 1 . . . . 127 THR HB . 16732 1 1325 . 1 1 130 130 THR HG21 H 1 1.180 0.001 . 1 . . . . 127 THR HG21 . 16732 1 1326 . 1 1 130 130 THR HG22 H 1 1.180 0.001 . 1 . . . . 127 THR HG22 . 16732 1 1327 . 1 1 130 130 THR HG23 H 1 1.180 0.001 . 1 . . . . 127 THR HG23 . 16732 1 1328 . 1 1 130 130 THR C C 13 174.980 0.01 . 1 . . . . 127 THR C . 16732 1 1329 . 1 1 130 130 THR CA C 13 61.300 0.01 . 1 . . . . 127 THR CA . 16732 1 1330 . 1 1 130 130 THR CB C 13 68.930 0.01 . 1 . . . . 127 THR CB . 16732 1 1331 . 1 1 130 130 THR N N 15 108.240 0.01 . 1 . . . . 127 THR N . 16732 1 1332 . 1 1 131 131 ASN H H 1 7.429 0.001 . 1 . . . . 128 ASN H . 16732 1 1333 . 1 1 131 131 ASN HA H 1 4.751 0.001 . 1 . . . . 128 ASN HA . 16732 1 1334 . 1 1 131 131 ASN HB2 H 1 2.858 0.001 . 2 . . . . 128 ASN HB2 . 16732 1 1335 . 1 1 131 131 ASN HB3 H 1 2.836 0.001 . 2 . . . . 128 ASN HB3 . 16732 1 1336 . 1 1 131 131 ASN HD21 H 1 7.633 0.001 . 2 . . . . 128 ASN HD21 . 16732 1 1337 . 1 1 131 131 ASN HD22 H 1 7.137 0.001 . 2 . . . . 128 ASN HD22 . 16732 1 1338 . 1 1 131 131 ASN C C 13 174.520 0.01 . 1 . . . . 128 ASN C . 16732 1 1339 . 1 1 131 131 ASN CA C 13 52.410 0.01 . 1 . . . . 128 ASN CA . 16732 1 1340 . 1 1 131 131 ASN CB C 13 39.210 0.01 . 1 . . . . 128 ASN CB . 16732 1 1341 . 1 1 131 131 ASN N N 15 121.240 0.01 . 1 . . . . 128 ASN N . 16732 1 1342 . 1 1 131 131 ASN ND2 N 15 112.800 0.01 . 1 . . . . 128 ASN ND2 . 16732 1 1343 . 1 1 132 132 VAL H H 1 8.319 0.001 . 1 . . . . 129 VAL H . 16732 1 1344 . 1 1 132 132 VAL HA H 1 3.797 0.001 . 1 . . . . 129 VAL HA . 16732 1 1345 . 1 1 132 132 VAL HB H 1 1.817 0.001 . 1 . . . . 129 VAL HB . 16732 1 1346 . 1 1 132 132 VAL HG11 H 1 0.833 0.001 . 1 . . . . 129 VAL HG11 . 16732 1 1347 . 1 1 132 132 VAL HG12 H 1 0.833 0.001 . 1 . . . . 129 VAL HG12 . 16732 1 1348 . 1 1 132 132 VAL HG13 H 1 0.833 0.001 . 1 . . . . 129 VAL HG13 . 16732 1 1349 . 1 1 132 132 VAL HG21 H 1 0.664 0.001 . 1 . . . . 129 VAL HG21 . 16732 1 1350 . 1 1 132 132 VAL HG22 H 1 0.664 0.001 . 1 . . . . 129 VAL HG22 . 16732 1 1351 . 1 1 132 132 VAL HG23 H 1 0.664 0.001 . 1 . . . . 129 VAL HG23 . 16732 1 1352 . 1 1 132 132 VAL C C 13 175.610 0.01 . 1 . . . . 129 VAL C . 16732 1 1353 . 1 1 132 132 VAL CA C 13 62.480 0.01 . 1 . . . . 129 VAL CA . 16732 1 1354 . 1 1 132 132 VAL CB C 13 32.330 0.01 . 1 . . . . 129 VAL CB . 16732 1 1355 . 1 1 132 132 VAL N N 15 121.620 0.01 . 1 . . . . 129 VAL N . 16732 1 1356 . 1 1 133 133 VAL H H 1 8.622 0.001 . 1 . . . . 130 VAL H . 16732 1 1357 . 1 1 133 133 VAL HA H 1 4.254 0.001 . 1 . . . . 130 VAL HA . 16732 1 1358 . 1 1 133 133 VAL HB H 1 2.157 0.001 . 1 . . . . 130 VAL HB . 16732 1 1359 . 1 1 133 133 VAL HG11 H 1 0.685 0.001 . 1 . . . . 130 VAL HG11 . 16732 1 1360 . 1 1 133 133 VAL HG12 H 1 0.685 0.001 . 1 . . . . 130 VAL HG12 . 16732 1 1361 . 1 1 133 133 VAL HG13 H 1 0.685 0.001 . 1 . . . . 130 VAL HG13 . 16732 1 1362 . 1 1 133 133 VAL HG21 H 1 0.632 0.001 . 1 . . . . 130 VAL HG21 . 16732 1 1363 . 1 1 133 133 VAL HG22 H 1 0.632 0.001 . 1 . . . . 130 VAL HG22 . 16732 1 1364 . 1 1 133 133 VAL HG23 H 1 0.632 0.001 . 1 . . . . 130 VAL HG23 . 16732 1 1365 . 1 1 133 133 VAL C C 13 175.300 0.01 . 1 . . . . 130 VAL C . 16732 1 1366 . 1 1 133 133 VAL CA C 13 62.430 0.01 . 1 . . . . 130 VAL CA . 16732 1 1367 . 1 1 133 133 VAL CB C 13 33.400 0.01 . 1 . . . . 130 VAL CB . 16732 1 1368 . 1 1 133 133 VAL N N 15 129.490 0.01 . 1 . . . . 130 VAL N . 16732 1 1369 . 1 1 134 134 ILE H H 1 8.683 0.001 . 1 . . . . 131 ILE H . 16732 1 1370 . 1 1 134 134 ILE HA H 1 4.571 0.001 . 1 . . . . 131 ILE HA . 16732 1 1371 . 1 1 134 134 ILE HB H 1 1.974 0.001 . 1 . . . . 131 ILE HB . 16732 1 1372 . 1 1 134 134 ILE HD11 H 1 0.730 0.001 . 1 . . . . 131 ILE HD11 . 16732 1 1373 . 1 1 134 134 ILE HD12 H 1 0.730 0.001 . 1 . . . . 131 ILE HD12 . 16732 1 1374 . 1 1 134 134 ILE HD13 H 1 0.730 0.001 . 1 . . . . 131 ILE HD13 . 16732 1 1375 . 1 1 134 134 ILE HG12 H 1 1.696 0.001 . 2 . . . . 131 ILE HG12 . 16732 1 1376 . 1 1 134 134 ILE HG13 H 1 1.333 0.001 . 2 . . . . 131 ILE HG13 . 16732 1 1377 . 1 1 134 134 ILE HG21 H 1 1.031 0.001 . 1 . . . . 131 ILE HG21 . 16732 1 1378 . 1 1 134 134 ILE HG22 H 1 1.031 0.001 . 1 . . . . 131 ILE HG22 . 16732 1 1379 . 1 1 134 134 ILE HG23 H 1 1.031 0.001 . 1 . . . . 131 ILE HG23 . 16732 1 1380 . 1 1 134 134 ILE C C 13 175.630 0.01 . 1 . . . . 131 ILE C . 16732 1 1381 . 1 1 134 134 ILE CA C 13 60.450 0.01 . 1 . . . . 131 ILE CA . 16732 1 1382 . 1 1 134 134 ILE CB C 13 38.580 0.01 . 1 . . . . 131 ILE CB . 16732 1 1383 . 1 1 134 134 ILE N N 15 127.840 0.01 . 1 . . . . 131 ILE N . 16732 1 1384 . 1 1 135 135 ILE H H 1 9.204 0.001 . 1 . . . . 132 ILE H . 16732 1 1385 . 1 1 135 135 ILE HA H 1 4.078 0.001 . 1 . . . . 132 ILE HA . 16732 1 1386 . 1 1 135 135 ILE HB H 1 1.986 0.001 . 1 . . . . 132 ILE HB . 16732 1 1387 . 1 1 135 135 ILE HD11 H 1 0.758 0.001 . 1 . . . . 132 ILE HD11 . 16732 1 1388 . 1 1 135 135 ILE HD12 H 1 0.758 0.001 . 1 . . . . 132 ILE HD12 . 16732 1 1389 . 1 1 135 135 ILE HD13 H 1 0.758 0.001 . 1 . . . . 132 ILE HD13 . 16732 1 1390 . 1 1 135 135 ILE HG12 H 1 1.749 0.001 . 2 . . . . 132 ILE HG12 . 16732 1 1391 . 1 1 135 135 ILE HG13 H 1 1.276 0.001 . 2 . . . . 132 ILE HG13 . 16732 1 1392 . 1 1 135 135 ILE HG21 H 1 0.946 0.001 . 1 . . . . 132 ILE HG21 . 16732 1 1393 . 1 1 135 135 ILE HG22 H 1 0.946 0.001 . 1 . . . . 132 ILE HG22 . 16732 1 1394 . 1 1 135 135 ILE HG23 H 1 0.946 0.001 . 1 . . . . 132 ILE HG23 . 16732 1 1395 . 1 1 135 135 ILE C C 13 174.030 0.01 . 1 . . . . 132 ILE C . 16732 1 1396 . 1 1 135 135 ILE CA C 13 61.820 0.01 . 1 . . . . 132 ILE CA . 16732 1 1397 . 1 1 135 135 ILE CB C 13 39.070 0.01 . 1 . . . . 132 ILE CB . 16732 1 1398 . 1 1 135 135 ILE N N 15 129.560 0.01 . 1 . . . . 132 ILE N . 16732 1 1399 . 1 1 136 136 ILE H H 1 8.581 0.001 . 1 . . . . 133 ILE H . 16732 1 1400 . 1 1 136 136 ILE HA H 1 4.329 0.001 . 1 . . . . 133 ILE HA . 16732 1 1401 . 1 1 136 136 ILE HB H 1 1.578 0.001 . 1 . . . . 133 ILE HB . 16732 1 1402 . 1 1 136 136 ILE HD11 H 1 0.571 0.001 . 1 . . . . 133 ILE HD11 . 16732 1 1403 . 1 1 136 136 ILE HD12 H 1 0.571 0.001 . 1 . . . . 133 ILE HD12 . 16732 1 1404 . 1 1 136 136 ILE HD13 H 1 0.571 0.001 . 1 . . . . 133 ILE HD13 . 16732 1 1405 . 1 1 136 136 ILE HG12 H 1 1.370 0.001 . 2 . . . . 133 ILE HG12 . 16732 1 1406 . 1 1 136 136 ILE HG13 H 1 1.276 0.001 . 2 . . . . 133 ILE HG13 . 16732 1 1407 . 1 1 136 136 ILE HG21 H 1 0.901 0.001 . 1 . . . . 133 ILE HG21 . 16732 1 1408 . 1 1 136 136 ILE HG22 H 1 0.901 0.001 . 1 . . . . 133 ILE HG22 . 16732 1 1409 . 1 1 136 136 ILE HG23 H 1 0.901 0.001 . 1 . . . . 133 ILE HG23 . 16732 1 1410 . 1 1 136 136 ILE C C 13 175.170 0.01 . 1 . . . . 133 ILE C . 16732 1 1411 . 1 1 136 136 ILE CA C 13 61.870 0.01 . 1 . . . . 133 ILE CA . 16732 1 1412 . 1 1 136 136 ILE CB C 13 38.650 0.01 . 1 . . . . 133 ILE CB . 16732 1 1413 . 1 1 136 136 ILE N N 15 128.720 0.01 . 1 . . . . 133 ILE N . 16732 1 1414 . 1 1 137 137 VAL H H 1 9.266 0.001 . 1 . . . . 134 VAL H . 16732 1 1415 . 1 1 137 137 VAL HA H 1 4.696 0.001 . 1 . . . . 134 VAL HA . 16732 1 1416 . 1 1 137 137 VAL HB H 1 1.994 0.001 . 1 . . . . 134 VAL HB . 16732 1 1417 . 1 1 137 137 VAL HG11 H 1 0.991 0.001 . 1 . . . . 134 VAL HG11 . 16732 1 1418 . 1 1 137 137 VAL HG12 H 1 0.991 0.001 . 1 . . . . 134 VAL HG12 . 16732 1 1419 . 1 1 137 137 VAL HG13 H 1 0.991 0.001 . 1 . . . . 134 VAL HG13 . 16732 1 1420 . 1 1 137 137 VAL HG21 H 1 0.881 0.001 . 1 . . . . 134 VAL HG21 . 16732 1 1421 . 1 1 137 137 VAL HG22 H 1 0.881 0.001 . 1 . . . . 134 VAL HG22 . 16732 1 1422 . 1 1 137 137 VAL HG23 H 1 0.881 0.001 . 1 . . . . 134 VAL HG23 . 16732 1 1423 . 1 1 137 137 VAL C C 13 176.710 0.01 . 1 . . . . 134 VAL C . 16732 1 1424 . 1 1 137 137 VAL CA C 13 60.730 0.01 . 1 . . . . 134 VAL CA . 16732 1 1425 . 1 1 137 137 VAL CB C 13 34.250 0.01 . 1 . . . . 134 VAL CB . 16732 1 1426 . 1 1 137 137 VAL N N 15 129.590 0.01 . 1 . . . . 134 VAL N . 16732 1 1427 . 1 1 138 138 GLY H H 1 9.396 0.001 . 1 . . . . 135 GLY H . 16732 1 1428 . 1 1 138 138 GLY HA2 H 1 4.596 0.001 . 2 . . . . 135 GLY HA2 . 16732 1 1429 . 1 1 138 138 GLY HA3 H 1 3.926 0.001 . 2 . . . . 135 GLY HA3 . 16732 1 1430 . 1 1 138 138 GLY C C 13 176.440 0.01 . 1 . . . . 135 GLY C . 16732 1 1431 . 1 1 138 138 GLY CA C 13 46.780 0.01 . 1 . . . . 135 GLY CA . 16732 1 1432 . 1 1 138 138 GLY N N 15 113.950 0.01 . 1 . . . . 135 GLY N . 16732 1 1433 . 1 1 139 139 SER H H 1 9.230 0.001 . 1 . . . . 136 SER H . 16732 1 1434 . 1 1 139 139 SER HA H 1 4.707 0.001 . 1 . . . . 136 SER HA . 16732 1 1435 . 1 1 139 139 SER HB2 H 1 3.995 0.001 . 2 . . . . 136 SER HB2 . 16732 1 1436 . 1 1 139 139 SER HB3 H 1 3.678 0.001 . 2 . . . . 136 SER HB3 . 16732 1 1437 . 1 1 139 139 SER C C 13 174.070 0.01 . 1 . . . . 136 SER C . 16732 1 1438 . 1 1 139 139 SER CA C 13 57.280 0.01 . 1 . . . . 136 SER CA . 16732 1 1439 . 1 1 139 139 SER CB C 13 65.810 0.01 . 1 . . . . 136 SER CB . 16732 1 1440 . 1 1 139 139 SER N N 15 121.200 0.01 . 1 . . . . 136 SER N . 16732 1 1441 . 1 1 140 140 GLY H H 1 8.301 0.001 . 1 . . . . 137 GLY H . 16732 1 1442 . 1 1 140 140 GLY HA2 H 1 3.672 0.001 . 2 . . . . 137 GLY HA2 . 16732 1 1443 . 1 1 140 140 GLY HA3 H 1 3.510 0.001 . 2 . . . . 137 GLY HA3 . 16732 1 1444 . 1 1 140 140 GLY C C 13 179.540 0.01 . 1 . . . . 137 GLY C . 16732 1 1445 . 1 1 140 140 GLY CA C 13 46.930 0.01 . 1 . . . . 137 GLY CA . 16732 1 1446 . 1 1 140 140 GLY N N 15 117.230 0.01 . 1 . . . . 137 GLY N . 16732 1 stop_ save_