data_19579 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19579 _Entry.Title ; NMR structure of C-terminal domain from A. ventricosus minor ampullate spidroin (MiSp) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-10-24 _Entry.Accession_date 2013-10-24 _Entry.Last_release_date 2014-08-25 _Entry.Original_release_date 2014-08-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Martins Otikovs . . . 19579 2 Kristaps Jaudzems . . . 19579 3 Marlene Andersson . . . 19579 4 Gefei Chen . . . 19579 5 Michael Landreh . . . 19579 6 Kerstin Nordling . . . 19579 7 Nina Kronqvist . . . 19579 8 Per Westermark . . . 19579 9 Hans Jornvall . . . 19579 10 Stefan Knight . . . 19579 11 Yvonne Ridderstrale . . . 19579 12 Lena Holm . . . 19579 13 Qing Meng . . . 19579 14 Mitchell Chesler . . . 19579 15 Jan Johansson . . . 19579 16 Anna Rising . . . 19579 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' . 19579 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'STRUCTURAL PROTEIN' . 19579 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19579 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 463 19579 '15N chemical shifts' 130 19579 '1H chemical shifts' 749 19579 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 . . 2014-08-25 2013-10-24 original author . 19579 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2mfz 'BMRB Entry Tracking System' 19579 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19579 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25093327 _Citation.Full_citation . _Citation.Title 'Carbonic Anhydrase Generates CO2 and H+ That Drive Spider Silk Formation Via Opposite Effects on the Terminal Domains' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Plos Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 12 _Citation.Journal_issue 8 _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 e1001921 _Citation.Page_last e1001921 _Citation.Year 2014 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Martins Otikovs . . . 19579 1 2 Kristaps Jaudzems . . . 19579 1 3 Marlene Andersson . . . 19579 1 4 Gefei Chen . . . 19579 1 5 Michael Landreh . . . 19579 1 6 Kerstin Nordling . . . 19579 1 7 Nina Kronqvist . . . 19579 1 8 Per Westermark . . . 19579 1 9 Hans Jornvall . . . 19579 1 10 Stefan Knight . . . 19579 1 11 Yvonne Ridderstrale . . . 19579 1 12 Lena Holm . . . 19579 1 13 Qing Meng . . . 19579 1 14 Mitchell Chesler . . . 19579 1 15 Jan Johansson . . . 19579 1 16 Anna Rising . . . 19579 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19579 _Assembly.ID 1 _Assembly.Name 'C-terminal domain from A. ventricosus minor ampullate spidroin (MiSp)' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'MiSp-CT, 1' 1 $MiSp-CT A . yes native no no . . . 19579 1 2 'MiSp-CT, 2' 1 $MiSp-CT B . yes native no no . . . 19579 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MiSp-CT _Entity.Sf_category entity _Entity.Sf_framecode MiSp-CT _Entity.Entry_ID 19579 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MiSp-CT _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSGNSVTSGGYGYGTSAAAG AGVAAGSYAGAVNRLSSAEA ASRVSSNIAAIASGGASALP SVISNIYSGVVASGVSSNEA LIQALLELLSALVHVLSSAS IGNVSSVGVDSTLNVVQDSV GQYVG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues -5 to -1 represent a non-native expression tag' _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 125 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11766.900 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MFZ . "Nmr Structure Of C-terminal Domain From A. Ventricosus Minor Ampullate Spidroin (misp)" . . . . . 100.00 125 100.00 100.00 5.78e-71 . . . . 19579 1 2 no GB AFV31615 . "minor ampullate spidroin [Araneus ventricosus]" . . . . . 96.00 1766 100.00 100.00 2.29e-65 . . . . 19579 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -5 GLY . 19579 1 2 -4 SER . 19579 1 3 -3 GLY . 19579 1 4 -2 ASN . 19579 1 5 -1 SER . 19579 1 6 1 VAL . 19579 1 7 2 THR . 19579 1 8 3 SER . 19579 1 9 4 GLY . 19579 1 10 5 GLY . 19579 1 11 6 TYR . 19579 1 12 7 GLY . 19579 1 13 8 TYR . 19579 1 14 9 GLY . 19579 1 15 10 THR . 19579 1 16 11 SER . 19579 1 17 12 ALA . 19579 1 18 13 ALA . 19579 1 19 14 ALA . 19579 1 20 15 GLY . 19579 1 21 16 ALA . 19579 1 22 17 GLY . 19579 1 23 18 VAL . 19579 1 24 19 ALA . 19579 1 25 20 ALA . 19579 1 26 21 GLY . 19579 1 27 22 SER . 19579 1 28 23 TYR . 19579 1 29 24 ALA . 19579 1 30 25 GLY . 19579 1 31 26 ALA . 19579 1 32 27 VAL . 19579 1 33 28 ASN . 19579 1 34 29 ARG . 19579 1 35 30 LEU . 19579 1 36 31 SER . 19579 1 37 32 SER . 19579 1 38 33 ALA . 19579 1 39 34 GLU . 19579 1 40 35 ALA . 19579 1 41 36 ALA . 19579 1 42 37 SER . 19579 1 43 38 ARG . 19579 1 44 39 VAL . 19579 1 45 40 SER . 19579 1 46 41 SER . 19579 1 47 42 ASN . 19579 1 48 43 ILE . 19579 1 49 44 ALA . 19579 1 50 45 ALA . 19579 1 51 46 ILE . 19579 1 52 47 ALA . 19579 1 53 48 SER . 19579 1 54 49 GLY . 19579 1 55 50 GLY . 19579 1 56 51 ALA . 19579 1 57 52 SER . 19579 1 58 53 ALA . 19579 1 59 54 LEU . 19579 1 60 55 PRO . 19579 1 61 56 SER . 19579 1 62 57 VAL . 19579 1 63 58 ILE . 19579 1 64 59 SER . 19579 1 65 60 ASN . 19579 1 66 61 ILE . 19579 1 67 62 TYR . 19579 1 68 63 SER . 19579 1 69 64 GLY . 19579 1 70 65 VAL . 19579 1 71 66 VAL . 19579 1 72 67 ALA . 19579 1 73 68 SER . 19579 1 74 69 GLY . 19579 1 75 70 VAL . 19579 1 76 71 SER . 19579 1 77 72 SER . 19579 1 78 73 ASN . 19579 1 79 74 GLU . 19579 1 80 75 ALA . 19579 1 81 76 LEU . 19579 1 82 77 ILE . 19579 1 83 78 GLN . 19579 1 84 79 ALA . 19579 1 85 80 LEU . 19579 1 86 81 LEU . 19579 1 87 82 GLU . 19579 1 88 83 LEU . 19579 1 89 84 LEU . 19579 1 90 85 SER . 19579 1 91 86 ALA . 19579 1 92 87 LEU . 19579 1 93 88 VAL . 19579 1 94 89 HIS . 19579 1 95 90 VAL . 19579 1 96 91 LEU . 19579 1 97 92 SER . 19579 1 98 93 SER . 19579 1 99 94 ALA . 19579 1 100 95 SER . 19579 1 101 96 ILE . 19579 1 102 97 GLY . 19579 1 103 98 ASN . 19579 1 104 99 VAL . 19579 1 105 100 SER . 19579 1 106 101 SER . 19579 1 107 102 VAL . 19579 1 108 103 GLY . 19579 1 109 104 VAL . 19579 1 110 105 ASP . 19579 1 111 106 SER . 19579 1 112 107 THR . 19579 1 113 108 LEU . 19579 1 114 109 ASN . 19579 1 115 110 VAL . 19579 1 116 111 VAL . 19579 1 117 112 GLN . 19579 1 118 113 ASP . 19579 1 119 114 SER . 19579 1 120 115 VAL . 19579 1 121 116 GLY . 19579 1 122 117 GLN . 19579 1 123 118 TYR . 19579 1 124 119 VAL . 19579 1 125 120 GLY . 19579 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 19579 1 . SER 2 2 19579 1 . GLY 3 3 19579 1 . ASN 4 4 19579 1 . SER 5 5 19579 1 . VAL 6 6 19579 1 . THR 7 7 19579 1 . SER 8 8 19579 1 . GLY 9 9 19579 1 . GLY 10 10 19579 1 . TYR 11 11 19579 1 . GLY 12 12 19579 1 . TYR 13 13 19579 1 . GLY 14 14 19579 1 . THR 15 15 19579 1 . SER 16 16 19579 1 . ALA 17 17 19579 1 . ALA 18 18 19579 1 . ALA 19 19 19579 1 . GLY 20 20 19579 1 . ALA 21 21 19579 1 . GLY 22 22 19579 1 . VAL 23 23 19579 1 . ALA 24 24 19579 1 . ALA 25 25 19579 1 . GLY 26 26 19579 1 . SER 27 27 19579 1 . TYR 28 28 19579 1 . ALA 29 29 19579 1 . GLY 30 30 19579 1 . ALA 31 31 19579 1 . VAL 32 32 19579 1 . ASN 33 33 19579 1 . ARG 34 34 19579 1 . LEU 35 35 19579 1 . SER 36 36 19579 1 . SER 37 37 19579 1 . ALA 38 38 19579 1 . GLU 39 39 19579 1 . ALA 40 40 19579 1 . ALA 41 41 19579 1 . SER 42 42 19579 1 . ARG 43 43 19579 1 . VAL 44 44 19579 1 . SER 45 45 19579 1 . SER 46 46 19579 1 . ASN 47 47 19579 1 . ILE 48 48 19579 1 . ALA 49 49 19579 1 . ALA 50 50 19579 1 . ILE 51 51 19579 1 . ALA 52 52 19579 1 . SER 53 53 19579 1 . GLY 54 54 19579 1 . GLY 55 55 19579 1 . ALA 56 56 19579 1 . SER 57 57 19579 1 . ALA 58 58 19579 1 . LEU 59 59 19579 1 . PRO 60 60 19579 1 . SER 61 61 19579 1 . VAL 62 62 19579 1 . ILE 63 63 19579 1 . SER 64 64 19579 1 . ASN 65 65 19579 1 . ILE 66 66 19579 1 . TYR 67 67 19579 1 . SER 68 68 19579 1 . GLY 69 69 19579 1 . VAL 70 70 19579 1 . VAL 71 71 19579 1 . ALA 72 72 19579 1 . SER 73 73 19579 1 . GLY 74 74 19579 1 . VAL 75 75 19579 1 . SER 76 76 19579 1 . SER 77 77 19579 1 . ASN 78 78 19579 1 . GLU 79 79 19579 1 . ALA 80 80 19579 1 . LEU 81 81 19579 1 . ILE 82 82 19579 1 . GLN 83 83 19579 1 . ALA 84 84 19579 1 . LEU 85 85 19579 1 . LEU 86 86 19579 1 . GLU 87 87 19579 1 . LEU 88 88 19579 1 . LEU 89 89 19579 1 . SER 90 90 19579 1 . ALA 91 91 19579 1 . LEU 92 92 19579 1 . VAL 93 93 19579 1 . HIS 94 94 19579 1 . VAL 95 95 19579 1 . LEU 96 96 19579 1 . SER 97 97 19579 1 . SER 98 98 19579 1 . ALA 99 99 19579 1 . SER 100 100 19579 1 . ILE 101 101 19579 1 . GLY 102 102 19579 1 . ASN 103 103 19579 1 . VAL 104 104 19579 1 . SER 105 105 19579 1 . SER 106 106 19579 1 . VAL 107 107 19579 1 . GLY 108 108 19579 1 . VAL 109 109 19579 1 . ASP 110 110 19579 1 . SER 111 111 19579 1 . THR 112 112 19579 1 . LEU 113 113 19579 1 . ASN 114 114 19579 1 . VAL 115 115 19579 1 . VAL 116 116 19579 1 . GLN 117 117 19579 1 . ASP 118 118 19579 1 . SER 119 119 19579 1 . VAL 120 120 19579 1 . GLY 121 121 19579 1 . GLN 122 122 19579 1 . TYR 123 123 19579 1 . VAL 124 124 19579 1 . GLY 125 125 19579 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 19579 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $MiSp-CT . 182803 organism . 'Araneus ventricosus' 'Orbweaver spider' . . Eukaryota Metazoa Araneus ventricosus . . . . . . . . . . . . . . . . . . . . . 19579 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 19579 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $MiSp-CT . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . 'modified pET vector' . . . 'His tag-Thioredoxin-His tag followed by a thrombin cleavage site' . . 19579 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19579 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '92% H2O/8% 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 'Minor ampullate spidroin CT' '[U-99% 13C; U-99% 15N]' . . 1 $MiSp-CT . . 1 . . mM . . . . 19579 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19579 1 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 19579 1 4 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 19579 1 5 D2O '[U-100% 2H]' . . . . . . 8 . . % . . . . 19579 1 6 H2O 'natural abundance' . . . . . . 92 . . % . . . . 19579 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19579 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Used for identification of inter-molecular NOEs' _Sample.Aggregate_sample_number . _Sample.Solvent_system '92% H2O/8% 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 'Minor ampullate spidroin CT' '[U-99% 13C; U-99% 15N]' . . 1 $MiSp-CT . . 0.25 . . mM . . . . 19579 2 2 'Minor ampullate spidroin CT' 'natural abundance' . . 1 $MiSp-CT . . 0.25 . . mM . . . . 19579 2 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19579 2 4 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 19579 2 5 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 19579 2 6 D2O '[U-100% 2H]' . . . . . . 8 . . % . . . . 19579 2 7 H2O 'natural abundance' . . . . . . 92 . . % . . . . 19579 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 19579 _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' 0.0688 . M 19579 1 pH 6.8 . pH 19579 1 pressure 1 . atm 19579 1 temperature 298 . K 19579 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19579 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19579 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19579 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19579 _Software.ID 2 _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' . . 19579 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19579 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19579 _Software.ID 3 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 19579 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19579 3 'data analysis' 19579 3 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 19579 _Software.ID 4 _Software.Name UNIO _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'T. Herrmann, F. Fiorito, J. Volk' . . 19579 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 19579 4 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 19579 _Software.ID 5 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 19579 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19579 5 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19579 _Software.ID 6 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19579 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19579 6 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 19579 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Equipped with cold probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19579 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 'Equipped with cold probe' . . 19579 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 19579 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19579 1 2 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19579 1 3 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19579 1 4 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19579 1 5 '3D HN(CA)CO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19579 1 6 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19579 1 7 '3D 1H-13C NOESY aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19579 1 8 '3D 1H-13C NOESY aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19579 1 9 '3D 13C,15N filtered 1H-13C NOESY aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19579 1 10 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19579 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19579 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 19579 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.77 internal indirect 0.251449530 . . . . . . . . . 19579 1 H 1 water protons . . . . ppm 4.77 internal direct 1.000000000 . . . . . . . . . 19579 1 N 15 water protons . . . . ppm 4.77 internal indirect 0.101329118 . . . . . . . . . 19579 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 19579 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 . 19579 1 2 '3D HNCA' 1 $sample_1 . 19579 1 3 '3D CBCA(CO)NH' 1 $sample_1 . 19579 1 4 '3D HNCO' 1 $sample_1 . 19579 1 5 '3D HN(CA)CO' 1 $sample_1 . 19579 1 6 '3D 1H-15N NOESY' 1 $sample_1 . 19579 1 7 '3D 1H-13C NOESY aliphatic' 1 $sample_1 . 19579 1 8 '3D 1H-13C NOESY aromatic' 1 $sample_1 . 19579 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.834 0.020 . 1 . . . B -5 GLY HA2 . 19579 1 2 . 1 1 1 1 GLY HA3 H 1 3.834 0.020 . 1 . . . B -5 GLY HA3 . 19579 1 3 . 1 1 1 1 GLY CA C 13 43.607 0.3 . 1 . . . B -5 GLY CA . 19579 1 4 . 1 1 2 2 SER HB2 H 1 3.847 0.020 . 1 . . . B -4 SER HB2 . 19579 1 5 . 1 1 2 2 SER HB3 H 1 3.847 0.020 . 1 . . . B -4 SER HB3 . 19579 1 6 . 1 1 2 2 SER CB C 13 63.876 0.3 . 1 . . . B -4 SER CB . 19579 1 7 . 1 1 4 4 ASN H H 1 8.307 0.020 . 1 . . . B -2 ASN H . 19579 1 8 . 1 1 4 4 ASN C C 13 175.184 0.3 . 1 . . . B -2 ASN C . 19579 1 9 . 1 1 4 4 ASN CA C 13 53.399 0.3 . 1 . . . B -2 ASN CA . 19579 1 10 . 1 1 4 4 ASN N N 15 118.808 0.3 . 1 . . . B -2 ASN N . 19579 1 11 . 1 1 5 5 SER H H 1 8.310 0.020 . 1 . . . B -1 SER H . 19579 1 12 . 1 1 5 5 SER HA H 1 4.447 0.020 . 1 . . . B -1 SER HA . 19579 1 13 . 1 1 5 5 SER C C 13 174.478 0.3 . 1 . . . B -1 SER C . 19579 1 14 . 1 1 5 5 SER CA C 13 58.495 0.3 . 1 . . . B -1 SER CA . 19579 1 15 . 1 1 5 5 SER N N 15 116.400 0.3 . 1 . . . B -1 SER N . 19579 1 16 . 1 1 6 6 VAL H H 1 8.202 0.020 . 1 . . . B 1 VAL H . 19579 1 17 . 1 1 6 6 VAL HA H 1 4.161 0.020 . 1 . . . B 1 VAL HA . 19579 1 18 . 1 1 6 6 VAL HB H 1 2.081 0.020 . 1 . . . B 1 VAL HB . 19579 1 19 . 1 1 6 6 VAL HG11 H 1 0.901 0.020 . 1 . . . B 1 VAL HG11 . 19579 1 20 . 1 1 6 6 VAL HG12 H 1 0.901 0.020 . 1 . . . B 1 VAL HG12 . 19579 1 21 . 1 1 6 6 VAL HG13 H 1 0.901 0.020 . 1 . . . B 1 VAL HG13 . 19579 1 22 . 1 1 6 6 VAL HG21 H 1 0.901 0.020 . 1 . . . B 1 VAL HG21 . 19579 1 23 . 1 1 6 6 VAL HG22 H 1 0.901 0.020 . 1 . . . B 1 VAL HG22 . 19579 1 24 . 1 1 6 6 VAL HG23 H 1 0.901 0.020 . 1 . . . B 1 VAL HG23 . 19579 1 25 . 1 1 6 6 VAL C C 13 176.508 0.3 . 1 . . . B 1 VAL C . 19579 1 26 . 1 1 6 6 VAL CA C 13 62.613 0.3 . 1 . . . B 1 VAL CA . 19579 1 27 . 1 1 6 6 VAL CB C 13 32.719 0.3 . 1 . . . B 1 VAL CB . 19579 1 28 . 1 1 6 6 VAL CG1 C 13 22.842 0.3 . 1 . . . B 1 VAL CG1 . 19579 1 29 . 1 1 6 6 VAL CG2 C 13 22.842 0.3 . 1 . . . B 1 VAL CG2 . 19579 1 30 . 1 1 6 6 VAL N N 15 121.720 0.3 . 1 . . . B 1 VAL N . 19579 1 31 . 1 1 7 7 THR H H 1 8.176 0.020 . 1 . . . B 2 THR H . 19579 1 32 . 1 1 7 7 THR HA H 1 4.348 0.020 . 1 . . . B 2 THR HA . 19579 1 33 . 1 1 7 7 THR HB H 1 4.211 0.020 . 1 . . . B 2 THR HB . 19579 1 34 . 1 1 7 7 THR HG21 H 1 1.155 0.020 . 1 . . . B 2 THR HG21 . 19579 1 35 . 1 1 7 7 THR HG22 H 1 1.155 0.020 . 1 . . . B 2 THR HG22 . 19579 1 36 . 1 1 7 7 THR HG23 H 1 1.155 0.020 . 1 . . . B 2 THR HG23 . 19579 1 37 . 1 1 7 7 THR C C 13 174.600 0.3 . 1 . . . B 2 THR C . 19579 1 38 . 1 1 7 7 THR CA C 13 61.785 0.3 . 1 . . . B 2 THR CA . 19579 1 39 . 1 1 7 7 THR CB C 13 69.800 0.3 . 1 . . . B 2 THR CB . 19579 1 40 . 1 1 7 7 THR N N 15 116.876 0.3 . 1 . . . B 2 THR N . 19579 1 41 . 1 1 8 8 SER H H 1 8.248 0.020 . 1 . . . B 3 SER H . 19579 1 42 . 1 1 8 8 SER C C 13 174.732 0.3 . 1 . . . B 3 SER C . 19579 1 43 . 1 1 8 8 SER CA C 13 58.585 0.3 . 1 . . . B 3 SER CA . 19579 1 44 . 1 1 8 8 SER N N 15 117.968 0.3 . 1 . . . B 3 SER N . 19579 1 45 . 1 1 10 10 GLY H H 1 8.134 0.020 . 1 . . . B 5 GLY H . 19579 1 46 . 1 1 10 10 GLY HA2 H 1 3.842 0.020 . 1 . . . B 5 GLY HA2 . 19579 1 47 . 1 1 10 10 GLY HA3 H 1 3.842 0.020 . 1 . . . B 5 GLY HA3 . 19579 1 48 . 1 1 10 10 GLY C C 13 173.728 0.3 . 1 . . . B 5 GLY C . 19579 1 49 . 1 1 10 10 GLY CA C 13 45.215 0.3 . 1 . . . B 5 GLY CA . 19579 1 50 . 1 1 10 10 GLY N N 15 108.381 0.3 . 1 . . . B 5 GLY N . 19579 1 51 . 1 1 11 11 TYR H H 1 8.096 0.020 . 1 . . . B 6 TYR H . 19579 1 52 . 1 1 11 11 TYR HA H 1 4.464 0.020 . 1 . . . B 6 TYR HA . 19579 1 53 . 1 1 11 11 TYR HB2 H 1 2.851 0.020 . 2 . . . B 6 TYR HB2 . 19579 1 54 . 1 1 11 11 TYR HB3 H 1 2.971 0.020 . 2 . . . B 6 TYR HB3 . 19579 1 55 . 1 1 11 11 TYR HD1 H 1 7.053 0.020 . 1 . . . B 6 TYR HD1 . 19579 1 56 . 1 1 11 11 TYR HD2 H 1 7.053 0.020 . 1 . . . B 6 TYR HD2 . 19579 1 57 . 1 1 11 11 TYR HE1 H 1 6.782 0.020 . 1 . . . B 6 TYR HE1 . 19579 1 58 . 1 1 11 11 TYR HE2 H 1 6.782 0.020 . 1 . . . B 6 TYR HE2 . 19579 1 59 . 1 1 11 11 TYR C C 13 176.232 0.3 . 1 . . . B 6 TYR C . 19579 1 60 . 1 1 11 11 TYR CA C 13 58.175 0.3 . 1 . . . B 6 TYR CA . 19579 1 61 . 1 1 11 11 TYR CB C 13 38.764 0.3 . 1 . . . B 6 TYR CB . 19579 1 62 . 1 1 11 11 TYR CD1 C 13 133.413 0.3 . 1 . . . B 6 TYR CD1 . 19579 1 63 . 1 1 11 11 TYR CD2 C 13 133.413 0.3 . 1 . . . B 6 TYR CD2 . 19579 1 64 . 1 1 11 11 TYR CE1 C 13 118.413 0.3 . 1 . . . B 6 TYR CE1 . 19579 1 65 . 1 1 11 11 TYR CE2 C 13 118.413 0.3 . 1 . . . B 6 TYR CE2 . 19579 1 66 . 1 1 11 11 TYR N N 15 120.011 0.3 . 1 . . . B 6 TYR N . 19579 1 67 . 1 1 12 12 GLY H H 1 8.283 0.020 . 1 . . . B 7 GLY H . 19579 1 68 . 1 1 12 12 GLY HA2 H 1 3.817 0.020 . 2 . . . B 7 GLY HA2 . 19579 1 69 . 1 1 12 12 GLY HA3 H 1 3.729 0.020 . 2 . . . B 7 GLY HA3 . 19579 1 70 . 1 1 12 12 GLY C C 13 173.772 0.3 . 1 . . . B 7 GLY C . 19579 1 71 . 1 1 12 12 GLY CA C 13 45.222 0.3 . 1 . . . B 7 GLY CA . 19579 1 72 . 1 1 12 12 GLY N N 15 110.530 0.3 . 1 . . . B 7 GLY N . 19579 1 73 . 1 1 13 13 TYR H H 1 7.987 0.020 . 1 . . . B 8 TYR H . 19579 1 74 . 1 1 13 13 TYR HA H 1 4.483 0.020 . 1 . . . B 8 TYR HA . 19579 1 75 . 1 1 13 13 TYR HB2 H 1 2.892 0.020 . 2 . . . B 8 TYR HB2 . 19579 1 76 . 1 1 13 13 TYR HB3 H 1 3.035 0.020 . 2 . . . B 8 TYR HB3 . 19579 1 77 . 1 1 13 13 TYR HD1 H 1 7.059 0.020 . 1 . . . B 8 TYR HD1 . 19579 1 78 . 1 1 13 13 TYR HD2 H 1 7.059 0.020 . 1 . . . B 8 TYR HD2 . 19579 1 79 . 1 1 13 13 TYR HE1 H 1 6.783 0.020 . 1 . . . B 8 TYR HE1 . 19579 1 80 . 1 1 13 13 TYR HE2 H 1 6.783 0.020 . 1 . . . B 8 TYR HE2 . 19579 1 81 . 1 1 13 13 TYR C C 13 176.420 0.3 . 1 . . . B 8 TYR C . 19579 1 82 . 1 1 13 13 TYR CA C 13 58.334 0.3 . 1 . . . B 8 TYR CA . 19579 1 83 . 1 1 13 13 TYR CB C 13 38.745 0.3 . 1 . . . B 8 TYR CB . 19579 1 84 . 1 1 13 13 TYR CD1 C 13 133.318 0.3 . 1 . . . B 8 TYR CD1 . 19579 1 85 . 1 1 13 13 TYR CD2 C 13 133.318 0.3 . 1 . . . B 8 TYR CD2 . 19579 1 86 . 1 1 13 13 TYR CE1 C 13 118.329 0.3 . 1 . . . B 8 TYR CE1 . 19579 1 87 . 1 1 13 13 TYR CE2 C 13 118.329 0.3 . 1 . . . B 8 TYR CE2 . 19579 1 88 . 1 1 13 13 TYR N N 15 120.132 0.3 . 1 . . . B 8 TYR N . 19579 1 89 . 1 1 14 14 GLY H H 1 8.400 0.020 . 1 . . . B 9 GLY H . 19579 1 90 . 1 1 14 14 GLY HA2 H 1 3.868 0.020 . 2 . . . B 9 GLY HA2 . 19579 1 91 . 1 1 14 14 GLY HA3 H 1 3.954 0.020 . 2 . . . B 9 GLY HA3 . 19579 1 92 . 1 1 14 14 GLY C C 13 174.335 0.3 . 1 . . . B 9 GLY C . 19579 1 93 . 1 1 14 14 GLY CA C 13 45.449 0.3 . 1 . . . B 9 GLY CA . 19579 1 94 . 1 1 14 14 GLY N N 15 110.831 0.3 . 1 . . . B 9 GLY N . 19579 1 95 . 1 1 15 15 THR H H 1 8.012 0.020 . 1 . . . B 10 THR H . 19579 1 96 . 1 1 15 15 THR HA H 1 4.366 0.020 . 1 . . . B 10 THR HA . 19579 1 97 . 1 1 15 15 THR HB H 1 4.240 0.020 . 1 . . . B 10 THR HB . 19579 1 98 . 1 1 15 15 THR HG21 H 1 1.151 0.020 . 1 . . . B 10 THR HG21 . 19579 1 99 . 1 1 15 15 THR HG22 H 1 1.151 0.020 . 1 . . . B 10 THR HG22 . 19579 1 100 . 1 1 15 15 THR HG23 H 1 1.151 0.020 . 1 . . . B 10 THR HG23 . 19579 1 101 . 1 1 15 15 THR C C 13 174.721 0.3 . 1 . . . B 10 THR C . 19579 1 102 . 1 1 15 15 THR CA C 13 61.829 0.3 . 1 . . . B 10 THR CA . 19579 1 103 . 1 1 15 15 THR CB C 13 69.881 0.3 . 1 . . . B 10 THR CB . 19579 1 104 . 1 1 15 15 THR CG2 C 13 21.590 0.3 . 1 . . . B 10 THR CG2 . 19579 1 105 . 1 1 15 15 THR N N 15 113.216 0.3 . 1 . . . B 10 THR N . 19579 1 106 . 1 1 16 16 SER H H 1 8.342 0.020 . 1 . . . B 11 SER H . 19579 1 107 . 1 1 16 16 SER HA H 1 4.414 0.020 . 1 . . . B 11 SER HA . 19579 1 108 . 1 1 16 16 SER HB2 H 1 3.851 0.020 . 1 . . . B 11 SER HB2 . 19579 1 109 . 1 1 16 16 SER HB3 H 1 3.851 0.020 . 1 . . . B 11 SER HB3 . 19579 1 110 . 1 1 16 16 SER C C 13 174.335 0.3 . 1 . . . B 11 SER C . 19579 1 111 . 1 1 16 16 SER CA C 13 58.363 0.3 . 1 . . . B 11 SER CA . 19579 1 112 . 1 1 16 16 SER CB C 13 63.911 0.3 . 1 . . . B 11 SER CB . 19579 1 113 . 1 1 16 16 SER N N 15 117.904 0.3 . 1 . . . B 11 SER N . 19579 1 114 . 1 1 17 17 ALA H H 1 8.274 0.020 . 1 . . . B 12 ALA H . 19579 1 115 . 1 1 17 17 ALA HA H 1 4.238 0.020 . 1 . . . B 12 ALA HA . 19579 1 116 . 1 1 17 17 ALA HB1 H 1 1.335 0.020 . 1 . . . B 12 ALA HB1 . 19579 1 117 . 1 1 17 17 ALA HB2 H 1 1.335 0.020 . 1 . . . B 12 ALA HB2 . 19579 1 118 . 1 1 17 17 ALA HB3 H 1 1.335 0.020 . 1 . . . B 12 ALA HB3 . 19579 1 119 . 1 1 17 17 ALA C C 13 177.468 0.3 . 1 . . . B 12 ALA C . 19579 1 120 . 1 1 17 17 ALA CA C 13 52.772 0.3 . 1 . . . B 12 ALA CA . 19579 1 121 . 1 1 17 17 ALA CB C 13 19.088 0.3 . 1 . . . B 12 ALA CB . 19579 1 122 . 1 1 17 17 ALA N N 15 126.003 0.3 . 1 . . . B 12 ALA N . 19579 1 123 . 1 1 18 18 ALA H H 1 8.121 0.020 . 1 . . . B 13 ALA H . 19579 1 124 . 1 1 18 18 ALA HA H 1 4.225 0.020 . 1 . . . B 13 ALA HA . 19579 1 125 . 1 1 18 18 ALA HB1 H 1 1.347 0.020 . 1 . . . B 13 ALA HB1 . 19579 1 126 . 1 1 18 18 ALA HB2 H 1 1.347 0.020 . 1 . . . B 13 ALA HB2 . 19579 1 127 . 1 1 18 18 ALA HB3 H 1 1.347 0.020 . 1 . . . B 13 ALA HB3 . 19579 1 128 . 1 1 18 18 ALA C C 13 178.207 0.3 . 1 . . . B 13 ALA C . 19579 1 129 . 1 1 18 18 ALA CA C 13 52.579 0.3 . 1 . . . B 13 ALA CA . 19579 1 130 . 1 1 18 18 ALA CB C 13 19.291 0.3 . 1 . . . B 13 ALA CB . 19579 1 131 . 1 1 18 18 ALA N N 15 122.954 0.3 . 1 . . . B 13 ALA N . 19579 1 132 . 1 1 19 19 ALA H H 1 8.262 0.020 . 1 . . . B 14 ALA H . 19579 1 133 . 1 1 19 19 ALA HA H 1 4.257 0.020 . 1 . . . B 14 ALA HA . 19579 1 134 . 1 1 19 19 ALA HB1 H 1 1.363 0.020 . 1 . . . B 14 ALA HB1 . 19579 1 135 . 1 1 19 19 ALA HB2 H 1 1.363 0.020 . 1 . . . B 14 ALA HB2 . 19579 1 136 . 1 1 19 19 ALA HB3 H 1 1.363 0.020 . 1 . . . B 14 ALA HB3 . 19579 1 137 . 1 1 19 19 ALA C C 13 178.227 0.3 . 1 . . . B 14 ALA C . 19579 1 138 . 1 1 19 19 ALA CA C 13 52.749 0.3 . 1 . . . B 14 ALA CA . 19579 1 139 . 1 1 19 19 ALA CB C 13 19.276 0.3 . 1 . . . B 14 ALA CB . 19579 1 140 . 1 1 19 19 ALA N N 15 123.733 0.3 . 1 . . . B 14 ALA N . 19579 1 141 . 1 1 20 20 GLY H H 1 8.239 0.020 . 1 . . . B 15 GLY H . 19579 1 142 . 1 1 20 20 GLY HA2 H 1 3.906 0.020 . 1 . . . B 15 GLY HA2 . 19579 1 143 . 1 1 20 20 GLY HA3 H 1 3.906 0.020 . 1 . . . B 15 GLY HA3 . 19579 1 144 . 1 1 20 20 GLY C C 13 173.849 0.3 . 1 . . . B 15 GLY C . 19579 1 145 . 1 1 20 20 GLY CA C 13 45.311 0.3 . 1 . . . B 15 GLY CA . 19579 1 146 . 1 1 20 20 GLY N N 15 108.014 0.3 . 1 . . . B 15 GLY N . 19579 1 147 . 1 1 21 21 ALA H H 1 8.102 0.020 . 1 . . . B 16 ALA H . 19579 1 148 . 1 1 21 21 ALA HA H 1 4.298 0.020 . 1 . . . B 16 ALA HA . 19579 1 149 . 1 1 21 21 ALA HB1 H 1 1.370 0.020 . 1 . . . B 16 ALA HB1 . 19579 1 150 . 1 1 21 21 ALA HB2 H 1 1.370 0.020 . 1 . . . B 16 ALA HB2 . 19579 1 151 . 1 1 21 21 ALA HB3 H 1 1.370 0.020 . 1 . . . B 16 ALA HB3 . 19579 1 152 . 1 1 21 21 ALA C C 13 178.108 0.3 . 1 . . . B 16 ALA C . 19579 1 153 . 1 1 21 21 ALA CA C 13 52.711 0.3 . 1 . . . B 16 ALA CA . 19579 1 154 . 1 1 21 21 ALA CB C 13 19.316 0.3 . 1 . . . B 16 ALA CB . 19579 1 155 . 1 1 21 21 ALA N N 15 123.529 0.3 . 1 . . . B 16 ALA N . 19579 1 156 . 1 1 22 22 GLY H H 1 8.356 0.020 . 1 . . . B 17 GLY H . 19579 1 157 . 1 1 22 22 GLY HA2 H 1 3.914 0.020 . 1 . . . B 17 GLY HA2 . 19579 1 158 . 1 1 22 22 GLY HA3 H 1 3.914 0.020 . 1 . . . B 17 GLY HA3 . 19579 1 159 . 1 1 22 22 GLY C C 13 174.081 0.3 . 1 . . . B 17 GLY C . 19579 1 160 . 1 1 22 22 GLY CA C 13 45.235 0.3 . 1 . . . B 17 GLY CA . 19579 1 161 . 1 1 22 22 GLY N N 15 108.099 0.3 . 1 . . . B 17 GLY N . 19579 1 162 . 1 1 23 23 VAL H H 1 7.899 0.020 . 1 . . . B 18 VAL H . 19579 1 163 . 1 1 23 23 VAL HA H 1 4.067 0.020 . 1 . . . B 18 VAL HA . 19579 1 164 . 1 1 23 23 VAL HB H 1 2.032 0.020 . 1 . . . B 18 VAL HB . 19579 1 165 . 1 1 23 23 VAL HG11 H 1 0.872 0.020 . 1 . . . B 18 VAL HG11 . 19579 1 166 . 1 1 23 23 VAL HG12 H 1 0.872 0.020 . 1 . . . B 18 VAL HG12 . 19579 1 167 . 1 1 23 23 VAL HG13 H 1 0.872 0.020 . 1 . . . B 18 VAL HG13 . 19579 1 168 . 1 1 23 23 VAL HG21 H 1 0.872 0.020 . 1 . . . B 18 VAL HG21 . 19579 1 169 . 1 1 23 23 VAL HG22 H 1 0.872 0.020 . 1 . . . B 18 VAL HG22 . 19579 1 170 . 1 1 23 23 VAL HG23 H 1 0.872 0.020 . 1 . . . B 18 VAL HG23 . 19579 1 171 . 1 1 23 23 VAL C C 13 175.946 0.3 . 1 . . . B 18 VAL C . 19579 1 172 . 1 1 23 23 VAL CA C 13 62.283 0.3 . 1 . . . B 18 VAL CA . 19579 1 173 . 1 1 23 23 VAL CB C 13 32.764 0.3 . 1 . . . B 18 VAL CB . 19579 1 174 . 1 1 23 23 VAL CG1 C 13 20.590 0.3 . 1 . . . B 18 VAL CG1 . 19579 1 175 . 1 1 23 23 VAL CG2 C 13 20.590 0.3 . 1 . . . B 18 VAL CG2 . 19579 1 176 . 1 1 23 23 VAL N N 15 119.220 0.3 . 1 . . . B 18 VAL N . 19579 1 177 . 1 1 24 24 ALA H H 1 8.377 0.020 . 1 . . . B 19 ALA H . 19579 1 178 . 1 1 24 24 ALA HA H 1 4.287 0.020 . 1 . . . B 19 ALA HA . 19579 1 179 . 1 1 24 24 ALA HB1 H 1 1.355 0.020 . 1 . . . B 19 ALA HB1 . 19579 1 180 . 1 1 24 24 ALA HB2 H 1 1.355 0.020 . 1 . . . B 19 ALA HB2 . 19579 1 181 . 1 1 24 24 ALA HB3 H 1 1.355 0.020 . 1 . . . B 19 ALA HB3 . 19579 1 182 . 1 1 24 24 ALA C C 13 177.303 0.3 . 1 . . . B 19 ALA C . 19579 1 183 . 1 1 24 24 ALA CA C 13 52.460 0.3 . 1 . . . B 19 ALA CA . 19579 1 184 . 1 1 24 24 ALA CB C 13 19.299 0.3 . 1 . . . B 19 ALA CB . 19579 1 185 . 1 1 24 24 ALA N N 15 127.804 0.3 . 1 . . . B 19 ALA N . 19579 1 186 . 1 1 25 25 ALA H H 1 8.261 0.020 . 1 . . . B 20 ALA H . 19579 1 187 . 1 1 25 25 ALA HA H 1 4.279 0.020 . 1 . . . B 20 ALA HA . 19579 1 188 . 1 1 25 25 ALA HB1 H 1 1.369 0.020 . 1 . . . B 20 ALA HB1 . 19579 1 189 . 1 1 25 25 ALA HB2 H 1 1.369 0.020 . 1 . . . B 20 ALA HB2 . 19579 1 190 . 1 1 25 25 ALA HB3 H 1 1.369 0.020 . 1 . . . B 20 ALA HB3 . 19579 1 191 . 1 1 25 25 ALA C C 13 178.086 0.3 . 1 . . . B 20 ALA C . 19579 1 192 . 1 1 25 25 ALA CA C 13 52.752 0.3 . 1 . . . B 20 ALA CA . 19579 1 193 . 1 1 25 25 ALA CB C 13 19.315 0.3 . 1 . . . B 20 ALA CB . 19579 1 194 . 1 1 25 25 ALA N N 15 123.602 0.3 . 1 . . . B 20 ALA N . 19579 1 195 . 1 1 26 26 GLY H H 1 8.323 0.020 . 1 . . . B 21 GLY H . 19579 1 196 . 1 1 26 26 GLY HA2 H 1 3.911 0.020 . 1 . . . B 21 GLY HA2 . 19579 1 197 . 1 1 26 26 GLY HA3 H 1 3.911 0.020 . 1 . . . B 21 GLY HA3 . 19579 1 198 . 1 1 26 26 GLY C C 13 174.213 0.3 . 1 . . . B 21 GLY C . 19579 1 199 . 1 1 26 26 GLY CA C 13 45.291 0.3 . 1 . . . B 21 GLY CA . 19579 1 200 . 1 1 26 26 GLY N N 15 108.033 0.3 . 1 . . . B 21 GLY N . 19579 1 201 . 1 1 27 27 SER H H 1 8.118 0.020 . 1 . . . B 22 SER H . 19579 1 202 . 1 1 27 27 SER HA H 1 4.369 0.020 . 1 . . . B 22 SER HA . 19579 1 203 . 1 1 27 27 SER HB2 H 1 3.721 0.020 . 2 . . . B 22 SER HB2 . 19579 1 204 . 1 1 27 27 SER HB3 H 1 3.649 0.020 . 2 . . . B 22 SER HB3 . 19579 1 205 . 1 1 27 27 SER C C 13 175.328 0.3 . 1 . . . B 22 SER C . 19579 1 206 . 1 1 27 27 SER CA C 13 58.686 0.3 . 1 . . . B 22 SER CA . 19579 1 207 . 1 1 27 27 SER CB C 13 63.915 0.3 . 1 . . . B 22 SER CB . 19579 1 208 . 1 1 27 27 SER N N 15 115.596 0.3 . 1 . . . B 22 SER N . 19579 1 209 . 1 1 28 28 TYR H H 1 8.620 0.020 . 1 . . . B 23 TYR H . 19579 1 210 . 1 1 28 28 TYR HA H 1 4.769 0.020 . 1 . . . B 23 TYR HA . 19579 1 211 . 1 1 28 28 TYR HB2 H 1 2.837 0.020 . 2 . . . B 23 TYR HB2 . 19579 1 212 . 1 1 28 28 TYR HB3 H 1 3.160 0.020 . 2 . . . B 23 TYR HB3 . 19579 1 213 . 1 1 28 28 TYR HD1 H 1 6.994 0.020 . 1 . . . B 23 TYR HD1 . 19579 1 214 . 1 1 28 28 TYR HD2 H 1 6.994 0.020 . 1 . . . B 23 TYR HD2 . 19579 1 215 . 1 1 28 28 TYR HE1 H 1 6.778 0.020 . 1 . . . B 23 TYR HE1 . 19579 1 216 . 1 1 28 28 TYR HE2 H 1 6.778 0.020 . 1 . . . B 23 TYR HE2 . 19579 1 217 . 1 1 28 28 TYR C C 13 175.890 0.3 . 1 . . . B 23 TYR C . 19579 1 218 . 1 1 28 28 TYR CA C 13 57.724 0.3 . 1 . . . B 23 TYR CA . 19579 1 219 . 1 1 28 28 TYR CB C 13 37.863 0.3 . 1 . . . B 23 TYR CB . 19579 1 220 . 1 1 28 28 TYR CD1 C 13 132.556 0.3 . 1 . . . B 23 TYR CD1 . 19579 1 221 . 1 1 28 28 TYR CD2 C 13 132.556 0.3 . 1 . . . B 23 TYR CD2 . 19579 1 222 . 1 1 28 28 TYR CE1 C 13 118.291 0.3 . 1 . . . B 23 TYR CE1 . 19579 1 223 . 1 1 28 28 TYR CE2 C 13 118.291 0.3 . 1 . . . B 23 TYR CE2 . 19579 1 224 . 1 1 28 28 TYR N N 15 121.490 0.3 . 1 . . . B 23 TYR N . 19579 1 225 . 1 1 29 29 ALA H H 1 8.127 0.020 . 1 . . . B 24 ALA H . 19579 1 226 . 1 1 29 29 ALA HA H 1 3.881 0.020 . 1 . . . B 24 ALA HA . 19579 1 227 . 1 1 29 29 ALA HB1 H 1 1.361 0.020 . 1 . . . B 24 ALA HB1 . 19579 1 228 . 1 1 29 29 ALA HB2 H 1 1.361 0.020 . 1 . . . B 24 ALA HB2 . 19579 1 229 . 1 1 29 29 ALA HB3 H 1 1.361 0.020 . 1 . . . B 24 ALA HB3 . 19579 1 230 . 1 1 29 29 ALA C C 13 179.366 0.3 . 1 . . . B 24 ALA C . 19579 1 231 . 1 1 29 29 ALA CA C 13 55.393 0.3 . 1 . . . B 24 ALA CA . 19579 1 232 . 1 1 29 29 ALA CB C 13 18.540 0.3 . 1 . . . B 24 ALA CB . 19579 1 233 . 1 1 29 29 ALA N N 15 121.940 0.3 . 1 . . . B 24 ALA N . 19579 1 234 . 1 1 30 30 GLY H H 1 8.647 0.020 . 1 . . . B 25 GLY H . 19579 1 235 . 1 1 30 30 GLY HA2 H 1 3.877 0.020 . 2 . . . B 25 GLY HA2 . 19579 1 236 . 1 1 30 30 GLY HA3 H 1 3.729 0.020 . 2 . . . B 25 GLY HA3 . 19579 1 237 . 1 1 30 30 GLY C C 13 175.074 0.3 . 1 . . . B 25 GLY C . 19579 1 238 . 1 1 30 30 GLY CA C 13 47.197 0.3 . 1 . . . B 25 GLY CA . 19579 1 239 . 1 1 30 30 GLY N N 15 106.527 0.3 . 1 . . . B 25 GLY N . 19579 1 240 . 1 1 31 31 ALA H H 1 7.552 0.020 . 1 . . . B 26 ALA H . 19579 1 241 . 1 1 31 31 ALA HA H 1 4.027 0.020 . 1 . . . B 26 ALA HA . 19579 1 242 . 1 1 31 31 ALA HB1 H 1 1.311 0.020 . 1 . . . B 26 ALA HB1 . 19579 1 243 . 1 1 31 31 ALA HB2 H 1 1.311 0.020 . 1 . . . B 26 ALA HB2 . 19579 1 244 . 1 1 31 31 ALA HB3 H 1 1.311 0.020 . 1 . . . B 26 ALA HB3 . 19579 1 245 . 1 1 31 31 ALA C C 13 177.490 0.3 . 1 . . . B 26 ALA C . 19579 1 246 . 1 1 31 31 ALA CA C 13 54.536 0.3 . 1 . . . B 26 ALA CA . 19579 1 247 . 1 1 31 31 ALA CB C 13 18.976 0.3 . 1 . . . B 26 ALA CB . 19579 1 248 . 1 1 31 31 ALA N N 15 122.752 0.3 . 1 . . . B 26 ALA N . 19579 1 249 . 1 1 32 32 VAL H H 1 7.283 0.020 . 1 . . . B 27 VAL H . 19579 1 250 . 1 1 32 32 VAL HA H 1 3.461 0.020 . 1 . . . B 27 VAL HA . 19579 1 251 . 1 1 32 32 VAL HB H 1 2.105 0.020 . 1 . . . B 27 VAL HB . 19579 1 252 . 1 1 32 32 VAL HG11 H 1 0.901 0.020 . 2 . . . B 27 VAL HG11 . 19579 1 253 . 1 1 32 32 VAL HG12 H 1 0.901 0.020 . 2 . . . B 27 VAL HG12 . 19579 1 254 . 1 1 32 32 VAL HG13 H 1 0.901 0.020 . 2 . . . B 27 VAL HG13 . 19579 1 255 . 1 1 32 32 VAL HG21 H 1 0.880 0.020 . 2 . . . B 27 VAL HG21 . 19579 1 256 . 1 1 32 32 VAL HG22 H 1 0.880 0.020 . 2 . . . B 27 VAL HG22 . 19579 1 257 . 1 1 32 32 VAL HG23 H 1 0.880 0.020 . 2 . . . B 27 VAL HG23 . 19579 1 258 . 1 1 32 32 VAL C C 13 179.366 0.3 . 1 . . . B 27 VAL C . 19579 1 259 . 1 1 32 32 VAL CA C 13 65.563 0.3 . 1 . . . B 27 VAL CA . 19579 1 260 . 1 1 32 32 VAL CB C 13 32.095 0.3 . 1 . . . B 27 VAL CB . 19579 1 261 . 1 1 32 32 VAL CG1 C 13 22.919 0.3 . 1 . . . B 27 VAL CG1 . 19579 1 262 . 1 1 32 32 VAL CG2 C 13 23.895 0.3 . 1 . . . B 27 VAL CG2 . 19579 1 263 . 1 1 32 32 VAL N N 15 113.110 0.3 . 1 . . . B 27 VAL N . 19579 1 264 . 1 1 33 33 ASN H H 1 8.374 0.020 . 1 . . . B 28 ASN H . 19579 1 265 . 1 1 33 33 ASN HA H 1 4.355 0.020 . 1 . . . B 28 ASN HA . 19579 1 266 . 1 1 33 33 ASN HB2 H 1 2.837 0.020 . 2 . . . B 28 ASN HB2 . 19579 1 267 . 1 1 33 33 ASN HB3 H 1 2.787 0.020 . 2 . . . B 28 ASN HB3 . 19579 1 268 . 1 1 33 33 ASN HD21 H 1 7.533 0.020 . 1 . . . B 28 ASN HD21 . 19579 1 269 . 1 1 33 33 ASN HD22 H 1 6.910 0.020 . 1 . . . B 28 ASN HD22 . 19579 1 270 . 1 1 33 33 ASN C C 13 177.667 0.3 . 1 . . . B 28 ASN C . 19579 1 271 . 1 1 33 33 ASN CA C 13 56.091 0.3 . 1 . . . B 28 ASN CA . 19579 1 272 . 1 1 33 33 ASN CB C 13 38.320 0.3 . 1 . . . B 28 ASN CB . 19579 1 273 . 1 1 33 33 ASN N N 15 119.671 0.3 . 1 . . . B 28 ASN N . 19579 1 274 . 1 1 33 33 ASN ND2 N 15 111.970 0.3 . 1 . . . B 28 ASN ND2 . 19579 1 275 . 1 1 34 34 ARG H H 1 7.860 0.020 . 1 . . . B 29 ARG H . 19579 1 276 . 1 1 34 34 ARG HA H 1 4.118 0.020 . 1 . . . B 29 ARG HA . 19579 1 277 . 1 1 34 34 ARG HB2 H 1 1.903 0.020 . 2 . . . B 29 ARG HB2 . 19579 1 278 . 1 1 34 34 ARG HB3 H 1 1.778 0.020 . 2 . . . B 29 ARG HB3 . 19579 1 279 . 1 1 34 34 ARG HG2 H 1 1.481 0.020 . 2 . . . B 29 ARG HG2 . 19579 1 280 . 1 1 34 34 ARG HG3 H 1 1.911 0.020 . 2 . . . B 29 ARG HG3 . 19579 1 281 . 1 1 34 34 ARG HD2 H 1 3.321 0.020 . 2 . . . B 29 ARG HD2 . 19579 1 282 . 1 1 34 34 ARG HD3 H 1 3.091 0.020 . 2 . . . B 29 ARG HD3 . 19579 1 283 . 1 1 34 34 ARG HE H 1 7.503 0.020 . 1 . . . B 29 ARG HE . 19579 1 284 . 1 1 34 34 ARG C C 13 177.457 0.3 . 1 . . . B 29 ARG C . 19579 1 285 . 1 1 34 34 ARG CA C 13 58.695 0.3 . 1 . . . B 29 ARG CA . 19579 1 286 . 1 1 34 34 ARG CB C 13 30.137 0.3 . 1 . . . B 29 ARG CB . 19579 1 287 . 1 1 34 34 ARG CG C 13 29.838 0.3 . 1 . . . B 29 ARG CG . 19579 1 288 . 1 1 34 34 ARG CD C 13 42.920 0.3 . 1 . . . B 29 ARG CD . 19579 1 289 . 1 1 34 34 ARG N N 15 116.957 0.3 . 1 . . . B 29 ARG N . 19579 1 290 . 1 1 34 34 ARG NE N 15 84.070 0.3 . 1 . . . B 29 ARG NE . 19579 1 291 . 1 1 35 35 LEU H H 1 7.524 0.020 . 1 . . . B 30 LEU H . 19579 1 292 . 1 1 35 35 LEU HA H 1 3.954 0.020 . 1 . . . B 30 LEU HA . 19579 1 293 . 1 1 35 35 LEU HB2 H 1 1.794 0.020 . 2 . . . B 30 LEU HB2 . 19579 1 294 . 1 1 35 35 LEU HB3 H 1 1.602 0.020 . 2 . . . B 30 LEU HB3 . 19579 1 295 . 1 1 35 35 LEU HG H 1 2.077 0.020 . 1 . . . B 30 LEU HG . 19579 1 296 . 1 1 35 35 LEU HD11 H 1 0.764 0.020 . 2 . . . B 30 LEU HD11 . 19579 1 297 . 1 1 35 35 LEU HD12 H 1 0.764 0.020 . 2 . . . B 30 LEU HD12 . 19579 1 298 . 1 1 35 35 LEU HD13 H 1 0.764 0.020 . 2 . . . B 30 LEU HD13 . 19579 1 299 . 1 1 35 35 LEU HD21 H 1 0.884 0.020 . 2 . . . B 30 LEU HD21 . 19579 1 300 . 1 1 35 35 LEU HD22 H 1 0.884 0.020 . 2 . . . B 30 LEU HD22 . 19579 1 301 . 1 1 35 35 LEU HD23 H 1 0.884 0.020 . 2 . . . B 30 LEU HD23 . 19579 1 302 . 1 1 35 35 LEU C C 13 174.975 0.3 . 1 . . . B 30 LEU C . 19579 1 303 . 1 1 35 35 LEU CA C 13 57.222 0.3 . 1 . . . B 30 LEU CA . 19579 1 304 . 1 1 35 35 LEU CB C 13 40.958 0.3 . 1 . . . B 30 LEU CB . 19579 1 305 . 1 1 35 35 LEU CG C 13 26.614 0.3 . 1 . . . B 30 LEU CG . 19579 1 306 . 1 1 35 35 LEU CD1 C 13 22.980 0.3 . 1 . . . B 30 LEU CD1 . 19579 1 307 . 1 1 35 35 LEU CD2 C 13 25.545 0.3 . 1 . . . B 30 LEU CD2 . 19579 1 308 . 1 1 35 35 LEU N N 15 121.060 0.3 . 1 . . . B 30 LEU N . 19579 1 309 . 1 1 36 36 SER H H 1 7.046 0.020 . 1 . . . B 31 SER H . 19579 1 310 . 1 1 36 36 SER HA H 1 4.523 0.020 . 1 . . . B 31 SER HA . 19579 1 311 . 1 1 36 36 SER HB2 H 1 4.036 0.020 . 2 . . . B 31 SER HB2 . 19579 1 312 . 1 1 36 36 SER HB3 H 1 3.832 0.020 . 2 . . . B 31 SER HB3 . 19579 1 313 . 1 1 36 36 SER C C 13 174.666 0.3 . 1 . . . B 31 SER C . 19579 1 314 . 1 1 36 36 SER CA C 13 57.680 0.3 . 1 . . . B 31 SER CA . 19579 1 315 . 1 1 36 36 SER CB C 13 63.290 0.3 . 1 . . . B 31 SER CB . 19579 1 316 . 1 1 36 36 SER N N 15 106.764 0.3 . 1 . . . B 31 SER N . 19579 1 317 . 1 1 37 37 SER H H 1 7.721 0.020 . 1 . . . B 32 SER H . 19579 1 318 . 1 1 37 37 SER HA H 1 4.383 0.020 . 1 . . . B 32 SER HA . 19579 1 319 . 1 1 37 37 SER HB2 H 1 4.089 0.020 . 2 . . . B 32 SER HB2 . 19579 1 320 . 1 1 37 37 SER HB3 H 1 4.409 0.020 . 2 . . . B 32 SER HB3 . 19579 1 321 . 1 1 37 37 SER C C 13 174.677 0.3 . 1 . . . B 32 SER C . 19579 1 322 . 1 1 37 37 SER CA C 13 58.027 0.3 . 1 . . . B 32 SER CA . 19579 1 323 . 1 1 37 37 SER CB C 13 66.069 0.3 . 1 . . . B 32 SER CB . 19579 1 324 . 1 1 37 37 SER N N 15 117.235 0.3 . 1 . . . B 32 SER N . 19579 1 325 . 1 1 38 38 ALA H H 1 8.980 0.020 . 1 . . . B 33 ALA H . 19579 1 326 . 1 1 38 38 ALA HA H 1 4.098 0.020 . 1 . . . B 33 ALA HA . 19579 1 327 . 1 1 38 38 ALA HB1 H 1 1.404 0.020 . 1 . . . B 33 ALA HB1 . 19579 1 328 . 1 1 38 38 ALA HB2 H 1 1.404 0.020 . 1 . . . B 33 ALA HB2 . 19579 1 329 . 1 1 38 38 ALA HB3 H 1 1.404 0.020 . 1 . . . B 33 ALA HB3 . 19579 1 330 . 1 1 38 38 ALA C C 13 180.822 0.3 . 1 . . . B 33 ALA C . 19579 1 331 . 1 1 38 38 ALA CA C 13 54.741 0.3 . 1 . . . B 33 ALA CA . 19579 1 332 . 1 1 38 38 ALA CB C 13 18.029 0.3 . 1 . . . B 33 ALA CB . 19579 1 333 . 1 1 38 38 ALA N N 15 126.048 0.3 . 1 . . . B 33 ALA N . 19579 1 334 . 1 1 39 39 GLU H H 1 8.993 0.020 . 1 . . . B 34 GLU H . 19579 1 335 . 1 1 39 39 GLU HA H 1 3.935 0.020 . 1 . . . B 34 GLU HA . 19579 1 336 . 1 1 39 39 GLU HB2 H 1 2.049 0.020 . 2 . . . B 34 GLU HB2 . 19579 1 337 . 1 1 39 39 GLU HB3 H 1 1.922 0.020 . 2 . . . B 34 GLU HB3 . 19579 1 338 . 1 1 39 39 GLU HG2 H 1 2.259 0.020 . 2 . . . B 34 GLU HG2 . 19579 1 339 . 1 1 39 39 GLU HG3 H 1 2.443 0.020 . 2 . . . B 34 GLU HG3 . 19579 1 340 . 1 1 39 39 GLU C C 13 178.560 0.3 . 1 . . . B 34 GLU C . 19579 1 341 . 1 1 39 39 GLU CA C 13 60.374 0.3 . 1 . . . B 34 GLU CA . 19579 1 342 . 1 1 39 39 GLU CB C 13 28.813 0.3 . 1 . . . B 34 GLU CB . 19579 1 343 . 1 1 39 39 GLU CG C 13 37.351 0.3 . 1 . . . B 34 GLU CG . 19579 1 344 . 1 1 39 39 GLU N N 15 117.978 0.3 . 1 . . . B 34 GLU N . 19579 1 345 . 1 1 40 40 ALA H H 1 7.443 0.020 . 1 . . . B 35 ALA H . 19579 1 346 . 1 1 40 40 ALA HA H 1 4.051 0.020 . 1 . . . B 35 ALA HA . 19579 1 347 . 1 1 40 40 ALA HB1 H 1 1.343 0.020 . 1 . . . B 35 ALA HB1 . 19579 1 348 . 1 1 40 40 ALA HB2 H 1 1.343 0.020 . 1 . . . B 35 ALA HB2 . 19579 1 349 . 1 1 40 40 ALA HB3 H 1 1.343 0.020 . 1 . . . B 35 ALA HB3 . 19579 1 350 . 1 1 40 40 ALA C C 13 179.101 0.3 . 1 . . . B 35 ALA C . 19579 1 351 . 1 1 40 40 ALA CA C 13 55.419 0.3 . 1 . . . B 35 ALA CA . 19579 1 352 . 1 1 40 40 ALA CB C 13 19.284 0.3 . 1 . . . B 35 ALA CB . 19579 1 353 . 1 1 40 40 ALA N N 15 123.748 0.3 . 1 . . . B 35 ALA N . 19579 1 354 . 1 1 41 41 ALA H H 1 7.484 0.020 . 1 . . . B 36 ALA H . 19579 1 355 . 1 1 41 41 ALA HA H 1 3.755 0.020 . 1 . . . B 36 ALA HA . 19579 1 356 . 1 1 41 41 ALA HB1 H 1 1.363 0.020 . 1 . . . B 36 ALA HB1 . 19579 1 357 . 1 1 41 41 ALA HB2 H 1 1.363 0.020 . 1 . . . B 36 ALA HB2 . 19579 1 358 . 1 1 41 41 ALA HB3 H 1 1.363 0.020 . 1 . . . B 36 ALA HB3 . 19579 1 359 . 1 1 41 41 ALA C C 13 180.745 0.3 . 1 . . . B 36 ALA C . 19579 1 360 . 1 1 41 41 ALA CA C 13 55.541 0.3 . 1 . . . B 36 ALA CA . 19579 1 361 . 1 1 41 41 ALA CB C 13 17.026 0.3 . 1 . . . B 36 ALA CB . 19579 1 362 . 1 1 41 41 ALA N N 15 118.503 0.3 . 1 . . . B 36 ALA N . 19579 1 363 . 1 1 42 42 SER H H 1 8.178 0.020 . 1 . . . B 37 SER H . 19579 1 364 . 1 1 42 42 SER HA H 1 4.170 0.020 . 1 . . . B 37 SER HA . 19579 1 365 . 1 1 42 42 SER HB2 H 1 3.936 0.020 . 1 . . . B 37 SER HB2 . 19579 1 366 . 1 1 42 42 SER HB3 H 1 3.936 0.020 . 1 . . . B 37 SER HB3 . 19579 1 367 . 1 1 42 42 SER C C 13 177.214 0.3 . 1 . . . B 37 SER C . 19579 1 368 . 1 1 42 42 SER CA C 13 61.628 0.3 . 1 . . . B 37 SER CA . 19579 1 369 . 1 1 42 42 SER CB C 13 62.653 0.3 . 1 . . . B 37 SER CB . 19579 1 370 . 1 1 42 42 SER N N 15 114.688 0.3 . 1 . . . B 37 SER N . 19579 1 371 . 1 1 43 43 ARG H H 1 7.882 0.020 . 1 . . . B 38 ARG H . 19579 1 372 . 1 1 43 43 ARG HA H 1 4.004 0.020 . 1 . . . B 38 ARG HA . 19579 1 373 . 1 1 43 43 ARG HB2 H 1 1.567 0.020 . 2 . . . B 38 ARG HB2 . 19579 1 374 . 1 1 43 43 ARG HB3 H 1 2.232 0.020 . 2 . . . B 38 ARG HB3 . 19579 1 375 . 1 1 43 43 ARG HG2 H 1 1.467 0.020 . 2 . . . B 38 ARG HG2 . 19579 1 376 . 1 1 43 43 ARG HG3 H 1 1.707 0.020 . 2 . . . B 38 ARG HG3 . 19579 1 377 . 1 1 43 43 ARG HD2 H 1 3.111 0.020 . 2 . . . B 38 ARG HD2 . 19579 1 378 . 1 1 43 43 ARG HD3 H 1 3.147 0.020 . 2 . . . B 38 ARG HD3 . 19579 1 379 . 1 1 43 43 ARG C C 13 179.564 0.3 . 1 . . . B 38 ARG C . 19579 1 380 . 1 1 43 43 ARG CA C 13 60.657 0.3 . 1 . . . B 38 ARG CA . 19579 1 381 . 1 1 43 43 ARG CB C 13 31.813 0.3 . 1 . . . B 38 ARG CB . 19579 1 382 . 1 1 43 43 ARG CG C 13 30.139 0.3 . 1 . . . B 38 ARG CG . 19579 1 383 . 1 1 43 43 ARG CD C 13 43.551 0.3 . 1 . . . B 38 ARG CD . 19579 1 384 . 1 1 43 43 ARG N N 15 123.817 0.3 . 1 . . . B 38 ARG N . 19579 1 385 . 1 1 44 44 VAL H H 1 8.543 0.020 . 1 . . . B 39 VAL H . 19579 1 386 . 1 1 44 44 VAL HA H 1 3.329 0.020 . 1 . . . B 39 VAL HA . 19579 1 387 . 1 1 44 44 VAL HB H 1 1.994 0.020 . 1 . . . B 39 VAL HB . 19579 1 388 . 1 1 44 44 VAL HG11 H 1 1.131 0.020 . 2 . . . B 39 VAL HG11 . 19579 1 389 . 1 1 44 44 VAL HG12 H 1 1.131 0.020 . 2 . . . B 39 VAL HG12 . 19579 1 390 . 1 1 44 44 VAL HG13 H 1 1.131 0.020 . 2 . . . B 39 VAL HG13 . 19579 1 391 . 1 1 44 44 VAL HG21 H 1 0.617 0.020 . 2 . . . B 39 VAL HG21 . 19579 1 392 . 1 1 44 44 VAL HG22 H 1 0.617 0.020 . 2 . . . B 39 VAL HG22 . 19579 1 393 . 1 1 44 44 VAL HG23 H 1 0.617 0.020 . 2 . . . B 39 VAL HG23 . 19579 1 394 . 1 1 44 44 VAL C C 13 178.505 0.3 . 1 . . . B 39 VAL C . 19579 1 395 . 1 1 44 44 VAL CA C 13 68.194 0.3 . 1 . . . B 39 VAL CA . 19579 1 396 . 1 1 44 44 VAL CB C 13 31.570 0.3 . 1 . . . B 39 VAL CB . 19579 1 397 . 1 1 44 44 VAL CG1 C 13 23.720 0.3 . 1 . . . B 39 VAL CG1 . 19579 1 398 . 1 1 44 44 VAL CG2 C 13 21.293 0.3 . 1 . . . B 39 VAL CG2 . 19579 1 399 . 1 1 44 44 VAL N N 15 120.446 0.3 . 1 . . . B 39 VAL N . 19579 1 400 . 1 1 45 45 SER H H 1 8.602 0.020 . 1 . . . B 40 SER H . 19579 1 401 . 1 1 45 45 SER HA H 1 4.080 0.020 . 1 . . . B 40 SER HA . 19579 1 402 . 1 1 45 45 SER HB2 H 1 3.915 0.020 . 1 . . . B 40 SER HB2 . 19579 1 403 . 1 1 45 45 SER HB3 H 1 3.915 0.020 . 1 . . . B 40 SER HB3 . 19579 1 404 . 1 1 45 45 SER C C 13 176.340 0.3 . 1 . . . B 40 SER C . 19579 1 405 . 1 1 45 45 SER CA C 13 62.940 0.3 . 1 . . . B 40 SER CA . 19579 1 406 . 1 1 45 45 SER CB C 13 62.953 0.3 . 1 . . . B 40 SER CB . 19579 1 407 . 1 1 45 45 SER N N 15 114.009 0.3 . 1 . . . B 40 SER N . 19579 1 408 . 1 1 46 46 SER H H 1 8.003 0.020 . 1 . . . B 41 SER H . 19579 1 409 . 1 1 46 46 SER HA H 1 4.333 0.020 . 1 . . . B 41 SER HA . 19579 1 410 . 1 1 46 46 SER HB2 H 1 3.998 0.020 . 2 . . . B 41 SER HB2 . 19579 1 411 . 1 1 46 46 SER HB3 H 1 3.941 0.020 . 2 . . . B 41 SER HB3 . 19579 1 412 . 1 1 46 46 SER C C 13 174.390 0.3 . 1 . . . B 41 SER C . 19579 1 413 . 1 1 46 46 SER CA C 13 60.828 0.3 . 1 . . . B 41 SER CA . 19579 1 414 . 1 1 46 46 SER CB C 13 63.563 0.3 . 1 . . . B 41 SER CB . 19579 1 415 . 1 1 46 46 SER N N 15 114.648 0.3 . 1 . . . B 41 SER N . 19579 1 416 . 1 1 47 47 ASN H H 1 7.600 0.020 . 1 . . . B 42 ASN H . 19579 1 417 . 1 1 47 47 ASN HA H 1 4.964 0.020 . 1 . . . B 42 ASN HA . 19579 1 418 . 1 1 47 47 ASN HB2 H 1 2.319 0.020 . 2 . . . B 42 ASN HB2 . 19579 1 419 . 1 1 47 47 ASN HB3 H 1 2.741 0.020 . 2 . . . B 42 ASN HB3 . 19579 1 420 . 1 1 47 47 ASN HD21 H 1 7.870 0.020 . 1 . . . B 42 ASN HD21 . 19579 1 421 . 1 1 47 47 ASN HD22 H 1 7.075 0.020 . 1 . . . B 42 ASN HD22 . 19579 1 422 . 1 1 47 47 ASN C C 13 174.677 0.3 . 1 . . . B 42 ASN C . 19579 1 423 . 1 1 47 47 ASN CA C 13 55.363 0.3 . 1 . . . B 42 ASN CA . 19579 1 424 . 1 1 47 47 ASN CB C 13 42.266 0.3 . 1 . . . B 42 ASN CB . 19579 1 425 . 1 1 47 47 ASN N N 15 117.849 0.3 . 1 . . . B 42 ASN N . 19579 1 426 . 1 1 47 47 ASN ND2 N 15 116.058 0.3 . 1 . . . B 42 ASN ND2 . 19579 1 427 . 1 1 48 48 ILE H H 1 7.336 0.020 . 1 . . . B 43 ILE H . 19579 1 428 . 1 1 48 48 ILE HA H 1 3.671 0.020 . 1 . . . B 43 ILE HA . 19579 1 429 . 1 1 48 48 ILE HB H 1 1.865 0.020 . 1 . . . B 43 ILE HB . 19579 1 430 . 1 1 48 48 ILE HG12 H 1 1.498 0.020 . 2 . . . B 43 ILE HG12 . 19579 1 431 . 1 1 48 48 ILE HG13 H 1 1.638 0.020 . 2 . . . B 43 ILE HG13 . 19579 1 432 . 1 1 48 48 ILE HG21 H 1 0.942 0.020 . 1 . . . B 43 ILE HG21 . 19579 1 433 . 1 1 48 48 ILE HG22 H 1 0.942 0.020 . 1 . . . B 43 ILE HG22 . 19579 1 434 . 1 1 48 48 ILE HG23 H 1 0.942 0.020 . 1 . . . B 43 ILE HG23 . 19579 1 435 . 1 1 48 48 ILE HD11 H 1 0.694 0.020 . 1 . . . B 43 ILE HD11 . 19579 1 436 . 1 1 48 48 ILE HD12 H 1 0.694 0.020 . 1 . . . B 43 ILE HD12 . 19579 1 437 . 1 1 48 48 ILE HD13 H 1 0.694 0.020 . 1 . . . B 43 ILE HD13 . 19579 1 438 . 1 1 48 48 ILE C C 13 176.773 0.3 . 1 . . . B 43 ILE C . 19579 1 439 . 1 1 48 48 ILE CA C 13 65.227 0.3 . 1 . . . B 43 ILE CA . 19579 1 440 . 1 1 48 48 ILE CB C 13 37.410 0.3 . 1 . . . B 43 ILE CB . 19579 1 441 . 1 1 48 48 ILE CG1 C 13 26.506 0.3 . 1 . . . B 43 ILE CG1 . 19579 1 442 . 1 1 48 48 ILE CG2 C 13 18.304 0.3 . 1 . . . B 43 ILE CG2 . 19579 1 443 . 1 1 48 48 ILE CD1 C 13 13.704 0.3 . 1 . . . B 43 ILE CD1 . 19579 1 444 . 1 1 48 48 ILE N N 15 116.952 0.3 . 1 . . . B 43 ILE N . 19579 1 445 . 1 1 49 49 ALA H H 1 8.617 0.020 . 1 . . . B 44 ALA H . 19579 1 446 . 1 1 49 49 ALA HA H 1 4.036 0.020 . 1 . . . B 44 ALA HA . 19579 1 447 . 1 1 49 49 ALA HB1 H 1 1.389 0.020 . 1 . . . B 44 ALA HB1 . 19579 1 448 . 1 1 49 49 ALA HB2 H 1 1.389 0.020 . 1 . . . B 44 ALA HB2 . 19579 1 449 . 1 1 49 49 ALA HB3 H 1 1.389 0.020 . 1 . . . B 44 ALA HB3 . 19579 1 450 . 1 1 49 49 ALA C C 13 180.304 0.3 . 1 . . . B 44 ALA C . 19579 1 451 . 1 1 49 49 ALA CA C 13 55.388 0.3 . 1 . . . B 44 ALA CA . 19579 1 452 . 1 1 49 49 ALA CB C 13 17.488 0.3 . 1 . . . B 44 ALA CB . 19579 1 453 . 1 1 49 49 ALA N N 15 122.396 0.3 . 1 . . . B 44 ALA N . 19579 1 454 . 1 1 50 50 ALA H H 1 7.913 0.020 . 1 . . . B 45 ALA H . 19579 1 455 . 1 1 50 50 ALA HA H 1 4.053 0.020 . 1 . . . B 45 ALA HA . 19579 1 456 . 1 1 50 50 ALA HB1 H 1 1.387 0.020 . 1 . . . B 45 ALA HB1 . 19579 1 457 . 1 1 50 50 ALA HB2 H 1 1.387 0.020 . 1 . . . B 45 ALA HB2 . 19579 1 458 . 1 1 50 50 ALA HB3 H 1 1.387 0.020 . 1 . . . B 45 ALA HB3 . 19579 1 459 . 1 1 50 50 ALA C C 13 180.591 0.3 . 1 . . . B 45 ALA C . 19579 1 460 . 1 1 50 50 ALA CA C 13 54.752 0.3 . 1 . . . B 45 ALA CA . 19579 1 461 . 1 1 50 50 ALA CB C 13 18.617 0.3 . 1 . . . B 45 ALA CB . 19579 1 462 . 1 1 50 50 ALA N N 15 120.804 0.3 . 1 . . . B 45 ALA N . 19579 1 463 . 1 1 51 51 ILE H H 1 7.313 0.020 . 1 . . . B 46 ILE H . 19579 1 464 . 1 1 51 51 ILE HA H 1 3.628 0.020 . 1 . . . B 46 ILE HA . 19579 1 465 . 1 1 51 51 ILE HB H 1 1.940 0.020 . 1 . . . B 46 ILE HB . 19579 1 466 . 1 1 51 51 ILE HG12 H 1 1.666 0.020 . 2 . . . B 46 ILE HG12 . 19579 1 467 . 1 1 51 51 ILE HG13 H 1 1.069 0.020 . 2 . . . B 46 ILE HG13 . 19579 1 468 . 1 1 51 51 ILE HG21 H 1 0.796 0.020 . 1 . . . B 46 ILE HG21 . 19579 1 469 . 1 1 51 51 ILE HG22 H 1 0.796 0.020 . 1 . . . B 46 ILE HG22 . 19579 1 470 . 1 1 51 51 ILE HG23 H 1 0.796 0.020 . 1 . . . B 46 ILE HG23 . 19579 1 471 . 1 1 51 51 ILE HD11 H 1 0.657 0.020 . 1 . . . B 46 ILE HD11 . 19579 1 472 . 1 1 51 51 ILE HD12 H 1 0.657 0.020 . 1 . . . B 46 ILE HD12 . 19579 1 473 . 1 1 51 51 ILE HD13 H 1 0.657 0.020 . 1 . . . B 46 ILE HD13 . 19579 1 474 . 1 1 51 51 ILE C C 13 177.612 0.3 . 1 . . . B 46 ILE C . 19579 1 475 . 1 1 51 51 ILE CA C 13 63.279 0.3 . 1 . . . B 46 ILE CA . 19579 1 476 . 1 1 51 51 ILE CB C 13 37.660 0.3 . 1 . . . B 46 ILE CB . 19579 1 477 . 1 1 51 51 ILE CG1 C 13 28.711 0.3 . 1 . . . B 46 ILE CG1 . 19579 1 478 . 1 1 51 51 ILE CG2 C 13 18.319 0.3 . 1 . . . B 46 ILE CG2 . 19579 1 479 . 1 1 51 51 ILE CD1 C 13 12.760 0.3 . 1 . . . B 46 ILE CD1 . 19579 1 480 . 1 1 51 51 ILE N N 15 117.637 0.3 . 1 . . . B 46 ILE N . 19579 1 481 . 1 1 52 52 ALA H H 1 8.413 0.020 . 1 . . . B 47 ALA H . 19579 1 482 . 1 1 52 52 ALA HA H 1 3.944 0.020 . 1 . . . B 47 ALA HA . 19579 1 483 . 1 1 52 52 ALA HB1 H 1 1.478 0.020 . 1 . . . B 47 ALA HB1 . 19579 1 484 . 1 1 52 52 ALA HB2 H 1 1.478 0.020 . 1 . . . B 47 ALA HB2 . 19579 1 485 . 1 1 52 52 ALA HB3 H 1 1.478 0.020 . 1 . . . B 47 ALA HB3 . 19579 1 486 . 1 1 52 52 ALA C C 13 178.538 0.3 . 1 . . . B 47 ALA C . 19579 1 487 . 1 1 52 52 ALA CA C 13 55.387 0.3 . 1 . . . B 47 ALA CA . 19579 1 488 . 1 1 52 52 ALA CB C 13 18.979 0.3 . 1 . . . B 47 ALA CB . 19579 1 489 . 1 1 52 52 ALA N N 15 121.493 0.3 . 1 . . . B 47 ALA N . 19579 1 490 . 1 1 53 53 SER H H 1 8.030 0.020 . 1 . . . B 48 SER H . 19579 1 491 . 1 1 53 53 SER HA H 1 4.352 0.020 . 1 . . . B 48 SER HA . 19579 1 492 . 1 1 53 53 SER HB2 H 1 3.868 0.020 . 1 . . . B 48 SER HB2 . 19579 1 493 . 1 1 53 53 SER HB3 H 1 3.868 0.020 . 1 . . . B 48 SER HB3 . 19579 1 494 . 1 1 53 53 SER C C 13 176.056 0.3 . 1 . . . B 48 SER C . 19579 1 495 . 1 1 53 53 SER CA C 13 59.977 0.3 . 1 . . . B 48 SER CA . 19579 1 496 . 1 1 53 53 SER CB C 13 63.838 0.3 . 1 . . . B 48 SER CB . 19579 1 497 . 1 1 53 53 SER N N 15 109.024 0.3 . 1 . . . B 48 SER N . 19579 1 498 . 1 1 54 54 GLY H H 1 8.048 0.020 . 1 . . . B 49 GLY H . 19579 1 499 . 1 1 54 54 GLY HA2 H 1 4.373 0.020 . 2 . . . B 49 GLY HA2 . 19579 1 500 . 1 1 54 54 GLY HA3 H 1 3.582 0.020 . 2 . . . B 49 GLY HA3 . 19579 1 501 . 1 1 54 54 GLY C C 13 174.820 0.3 . 1 . . . B 49 GLY C . 19579 1 502 . 1 1 54 54 GLY CA C 13 45.193 0.3 . 1 . . . B 49 GLY CA . 19579 1 503 . 1 1 54 54 GLY N N 15 108.121 0.3 . 1 . . . B 49 GLY N . 19579 1 504 . 1 1 55 55 GLY H H 1 8.409 0.020 . 1 . . . B 50 GLY H . 19579 1 505 . 1 1 55 55 GLY HA2 H 1 3.658 0.020 . 2 . . . B 50 GLY HA2 . 19579 1 506 . 1 1 55 55 GLY HA3 H 1 3.969 0.020 . 2 . . . B 50 GLY HA3 . 19579 1 507 . 1 1 55 55 GLY C C 13 174.975 0.3 . 1 . . . B 50 GLY C . 19579 1 508 . 1 1 55 55 GLY CA C 13 46.182 0.3 . 1 . . . B 50 GLY CA . 19579 1 509 . 1 1 55 55 GLY N N 15 111.955 0.3 . 1 . . . B 50 GLY N . 19579 1 510 . 1 1 56 56 ALA H H 1 9.119 0.020 . 1 . . . B 51 ALA H . 19579 1 511 . 1 1 56 56 ALA HA H 1 3.819 0.020 . 1 . . . B 51 ALA HA . 19579 1 512 . 1 1 56 56 ALA HB1 H 1 1.403 0.020 . 1 . . . B 51 ALA HB1 . 19579 1 513 . 1 1 56 56 ALA HB2 H 1 1.403 0.020 . 1 . . . B 51 ALA HB2 . 19579 1 514 . 1 1 56 56 ALA HB3 H 1 1.403 0.020 . 1 . . . B 51 ALA HB3 . 19579 1 515 . 1 1 56 56 ALA C C 13 179.697 0.3 . 1 . . . B 51 ALA C . 19579 1 516 . 1 1 56 56 ALA CA C 13 55.060 0.3 . 1 . . . B 51 ALA CA . 19579 1 517 . 1 1 56 56 ALA CB C 13 18.279 0.3 . 1 . . . B 51 ALA CB . 19579 1 518 . 1 1 56 56 ALA N N 15 126.247 0.3 . 1 . . . B 51 ALA N . 19579 1 519 . 1 1 57 57 SER H H 1 8.231 0.020 . 1 . . . B 52 SER H . 19579 1 520 . 1 1 57 57 SER HA H 1 4.222 0.020 . 1 . . . B 52 SER HA . 19579 1 521 . 1 1 57 57 SER HB2 H 1 4.007 0.020 . 2 . . . B 52 SER HB2 . 19579 1 522 . 1 1 57 57 SER HB3 H 1 3.930 0.020 . 2 . . . B 52 SER HB3 . 19579 1 523 . 1 1 57 57 SER C C 13 174.983 0.3 . 1 . . . B 52 SER C . 19579 1 524 . 1 1 57 57 SER CA C 13 60.814 0.3 . 1 . . . B 52 SER CA . 19579 1 525 . 1 1 57 57 SER CB C 13 62.977 0.3 . 1 . . . B 52 SER CB . 19579 1 526 . 1 1 57 57 SER N N 15 111.975 0.3 . 1 . . . B 52 SER N . 19579 1 527 . 1 1 58 58 ALA H H 1 7.602 0.020 . 1 . . . B 53 ALA H . 19579 1 528 . 1 1 58 58 ALA HA H 1 4.402 0.020 . 1 . . . B 53 ALA HA . 19579 1 529 . 1 1 58 58 ALA HB1 H 1 1.319 0.020 . 1 . . . B 53 ALA HB1 . 19579 1 530 . 1 1 58 58 ALA HB2 H 1 1.319 0.020 . 1 . . . B 53 ALA HB2 . 19579 1 531 . 1 1 58 58 ALA HB3 H 1 1.319 0.020 . 1 . . . B 53 ALA HB3 . 19579 1 532 . 1 1 58 58 ALA C C 13 177.391 0.3 . 1 . . . B 53 ALA C . 19579 1 533 . 1 1 58 58 ALA CA C 13 52.127 0.3 . 1 . . . B 53 ALA CA . 19579 1 534 . 1 1 58 58 ALA CB C 13 19.946 0.3 . 1 . . . B 53 ALA CB . 19579 1 535 . 1 1 58 58 ALA N N 15 122.484 0.3 . 1 . . . B 53 ALA N . 19579 1 536 . 1 1 59 59 LEU H H 1 7.408 0.020 . 1 . . . B 54 LEU H . 19579 1 537 . 1 1 59 59 LEU HA H 1 3.879 0.020 . 1 . . . B 54 LEU HA . 19579 1 538 . 1 1 59 59 LEU HB2 H 1 1.880 0.020 . 2 . . . B 54 LEU HB2 . 19579 1 539 . 1 1 59 59 LEU HB3 H 1 1.602 0.020 . 2 . . . B 54 LEU HB3 . 19579 1 540 . 1 1 59 59 LEU HG H 1 1.789 0.020 . 1 . . . B 54 LEU HG . 19579 1 541 . 1 1 59 59 LEU HD11 H 1 0.807 0.020 . 2 . . . B 54 LEU HD11 . 19579 1 542 . 1 1 59 59 LEU HD12 H 1 0.807 0.020 . 2 . . . B 54 LEU HD12 . 19579 1 543 . 1 1 59 59 LEU HD13 H 1 0.807 0.020 . 2 . . . B 54 LEU HD13 . 19579 1 544 . 1 1 59 59 LEU HD21 H 1 0.891 0.020 . 2 . . . B 54 LEU HD21 . 19579 1 545 . 1 1 59 59 LEU HD22 H 1 0.891 0.020 . 2 . . . B 54 LEU HD22 . 19579 1 546 . 1 1 59 59 LEU HD23 H 1 0.891 0.020 . 2 . . . B 54 LEU HD23 . 19579 1 547 . 1 1 59 59 LEU C C 13 174.434 0.3 . 1 . . . B 54 LEU C . 19579 1 548 . 1 1 59 59 LEU CA C 13 60.315 0.3 . 1 . . . B 54 LEU CA . 19579 1 549 . 1 1 59 59 LEU CB C 13 39.620 0.3 . 1 . . . B 54 LEU CB . 19579 1 550 . 1 1 59 59 LEU CG C 13 27.860 0.3 . 1 . . . B 54 LEU CG . 19579 1 551 . 1 1 59 59 LEU CD1 C 13 24.549 0.3 . 1 . . . B 54 LEU CD1 . 19579 1 552 . 1 1 59 59 LEU CD2 C 13 25.256 0.3 . 1 . . . B 54 LEU CD2 . 19579 1 553 . 1 1 59 59 LEU N N 15 117.414 0.3 . 1 . . . B 54 LEU N . 19579 1 554 . 1 1 60 60 PRO HA H 1 4.191 0.020 . 1 . . . B 55 PRO HA . 19579 1 555 . 1 1 60 60 PRO HB2 H 1 2.393 0.020 . 2 . . . B 55 PRO HB2 . 19579 1 556 . 1 1 60 60 PRO HB3 H 1 1.937 0.020 . 2 . . . B 55 PRO HB3 . 19579 1 557 . 1 1 60 60 PRO HG2 H 1 1.965 0.020 . 2 . . . B 55 PRO HG2 . 19579 1 558 . 1 1 60 60 PRO HG3 H 1 2.171 0.020 . 2 . . . B 55 PRO HG3 . 19579 1 559 . 1 1 60 60 PRO HD2 H 1 3.602 0.020 . 2 . . . B 55 PRO HD2 . 19579 1 560 . 1 1 60 60 PRO HD3 H 1 3.652 0.020 . 2 . . . B 55 PRO HD3 . 19579 1 561 . 1 1 60 60 PRO CA C 13 66.934 0.3 . 1 . . . B 55 PRO CA . 19579 1 562 . 1 1 60 60 PRO CB C 13 31.050 0.3 . 1 . . . B 55 PRO CB . 19579 1 563 . 1 1 60 60 PRO CG C 13 28.545 0.3 . 1 . . . B 55 PRO CG . 19579 1 564 . 1 1 60 60 PRO CD C 13 49.716 0.3 . 1 . . . B 55 PRO CD . 19579 1 565 . 1 1 61 61 SER H H 1 7.834 0.020 . 1 . . . B 56 SER H . 19579 1 566 . 1 1 61 61 SER HA H 1 4.234 0.020 . 1 . . . B 56 SER HA . 19579 1 567 . 1 1 61 61 SER HB2 H 1 3.929 0.020 . 1 . . . B 56 SER HB2 . 19579 1 568 . 1 1 61 61 SER HB3 H 1 3.929 0.020 . 1 . . . B 56 SER HB3 . 19579 1 569 . 1 1 61 61 SER C C 13 176.552 0.3 . 1 . . . B 56 SER C . 19579 1 570 . 1 1 61 61 SER CA C 13 61.233 0.3 . 1 . . . B 56 SER CA . 19579 1 571 . 1 1 61 61 SER CB C 13 62.733 0.3 . 1 . . . B 56 SER CB . 19579 1 572 . 1 1 61 61 SER N N 15 113.559 0.3 . 1 . . . B 56 SER N . 19579 1 573 . 1 1 62 62 VAL H H 1 8.263 0.020 . 1 . . . B 57 VAL H . 19579 1 574 . 1 1 62 62 VAL HA H 1 3.743 0.020 . 1 . . . B 57 VAL HA . 19579 1 575 . 1 1 62 62 VAL HB H 1 1.941 0.020 . 1 . . . B 57 VAL HB . 19579 1 576 . 1 1 62 62 VAL HG11 H 1 1.058 0.020 . 2 . . . B 57 VAL HG11 . 19579 1 577 . 1 1 62 62 VAL HG12 H 1 1.058 0.020 . 2 . . . B 57 VAL HG12 . 19579 1 578 . 1 1 62 62 VAL HG13 H 1 1.058 0.020 . 2 . . . B 57 VAL HG13 . 19579 1 579 . 1 1 62 62 VAL HG21 H 1 0.806 0.020 . 2 . . . B 57 VAL HG21 . 19579 1 580 . 1 1 62 62 VAL HG22 H 1 0.806 0.020 . 2 . . . B 57 VAL HG22 . 19579 1 581 . 1 1 62 62 VAL HG23 H 1 0.806 0.020 . 2 . . . B 57 VAL HG23 . 19579 1 582 . 1 1 62 62 VAL C C 13 178.042 0.3 . 1 . . . B 57 VAL C . 19579 1 583 . 1 1 62 62 VAL CA C 13 66.460 0.3 . 1 . . . B 57 VAL CA . 19579 1 584 . 1 1 62 62 VAL CB C 13 31.768 0.3 . 1 . . . B 57 VAL CB . 19579 1 585 . 1 1 62 62 VAL CG1 C 13 23.121 0.3 . 1 . . . B 57 VAL CG1 . 19579 1 586 . 1 1 62 62 VAL CG2 C 13 22.209 0.3 . 1 . . . B 57 VAL CG2 . 19579 1 587 . 1 1 62 62 VAL N N 15 123.292 0.3 . 1 . . . B 57 VAL N . 19579 1 588 . 1 1 63 63 ILE H H 1 8.873 0.020 . 1 . . . B 58 ILE H . 19579 1 589 . 1 1 63 63 ILE HA H 1 3.684 0.020 . 1 . . . B 58 ILE HA . 19579 1 590 . 1 1 63 63 ILE HB H 1 1.640 0.020 . 1 . . . B 58 ILE HB . 19579 1 591 . 1 1 63 63 ILE HG12 H 1 1.425 0.020 . 2 . . . B 58 ILE HG12 . 19579 1 592 . 1 1 63 63 ILE HG13 H 1 0.812 0.020 . 2 . . . B 58 ILE HG13 . 19579 1 593 . 1 1 63 63 ILE HG21 H 1 0.771 0.020 . 1 . . . B 58 ILE HG21 . 19579 1 594 . 1 1 63 63 ILE HG22 H 1 0.771 0.020 . 1 . . . B 58 ILE HG22 . 19579 1 595 . 1 1 63 63 ILE HG23 H 1 0.771 0.020 . 1 . . . B 58 ILE HG23 . 19579 1 596 . 1 1 63 63 ILE HD11 H 1 0.628 0.020 . 1 . . . B 58 ILE HD11 . 19579 1 597 . 1 1 63 63 ILE HD12 H 1 0.628 0.020 . 1 . . . B 58 ILE HD12 . 19579 1 598 . 1 1 63 63 ILE HD13 H 1 0.628 0.020 . 1 . . . B 58 ILE HD13 . 19579 1 599 . 1 1 63 63 ILE C C 13 176.221 0.3 . 1 . . . B 58 ILE C . 19579 1 600 . 1 1 63 63 ILE CA C 13 65.082 0.3 . 1 . . . B 58 ILE CA . 19579 1 601 . 1 1 63 63 ILE CB C 13 37.349 0.3 . 1 . . . B 58 ILE CB . 19579 1 602 . 1 1 63 63 ILE CG1 C 13 30.716 0.3 . 1 . . . B 58 ILE CG1 . 19579 1 603 . 1 1 63 63 ILE CG2 C 13 17.789 0.3 . 1 . . . B 58 ILE CG2 . 19579 1 604 . 1 1 63 63 ILE CD1 C 13 14.048 0.3 . 1 . . . B 58 ILE CD1 . 19579 1 605 . 1 1 63 63 ILE N N 15 118.510 0.3 . 1 . . . B 58 ILE N . 19579 1 606 . 1 1 64 64 SER H H 1 7.388 0.020 . 1 . . . B 59 SER H . 19579 1 607 . 1 1 64 64 SER HA H 1 4.305 0.020 . 1 . . . B 59 SER HA . 19579 1 608 . 1 1 64 64 SER HB2 H 1 4.053 0.020 . 1 . . . B 59 SER HB2 . 19579 1 609 . 1 1 64 64 SER HB3 H 1 4.053 0.020 . 1 . . . B 59 SER HB3 . 19579 1 610 . 1 1 64 64 SER C C 13 177.534 0.3 . 1 . . . B 59 SER C . 19579 1 611 . 1 1 64 64 SER CA C 13 61.586 0.3 . 1 . . . B 59 SER CA . 19579 1 612 . 1 1 64 64 SER CB C 13 62.951 0.3 . 1 . . . B 59 SER CB . 19579 1 613 . 1 1 64 64 SER N N 15 114.238 0.3 . 1 . . . B 59 SER N . 19579 1 614 . 1 1 65 65 ASN H H 1 8.147 0.020 . 1 . . . B 60 ASN H . 19579 1 615 . 1 1 65 65 ASN HA H 1 4.360 0.020 . 1 . . . B 60 ASN HA . 19579 1 616 . 1 1 65 65 ASN HB2 H 1 3.063 0.020 . 2 . . . B 60 ASN HB2 . 19579 1 617 . 1 1 65 65 ASN HB3 H 1 3.007 0.020 . 2 . . . B 60 ASN HB3 . 19579 1 618 . 1 1 65 65 ASN HD21 H 1 7.678 0.020 . 1 . . . B 60 ASN HD21 . 19579 1 619 . 1 1 65 65 ASN HD22 H 1 6.818 0.020 . 1 . . . B 60 ASN HD22 . 19579 1 620 . 1 1 65 65 ASN C C 13 178.616 0.3 . 1 . . . B 60 ASN C . 19579 1 621 . 1 1 65 65 ASN CA C 13 56.715 0.3 . 1 . . . B 60 ASN CA . 19579 1 622 . 1 1 65 65 ASN CB C 13 38.996 0.3 . 1 . . . B 60 ASN CB . 19579 1 623 . 1 1 65 65 ASN N N 15 120.810 0.3 . 1 . . . B 60 ASN N . 19579 1 624 . 1 1 65 65 ASN ND2 N 15 111.522 0.3 . 1 . . . B 60 ASN ND2 . 19579 1 625 . 1 1 66 66 ILE H H 1 8.642 0.020 . 1 . . . B 61 ILE H . 19579 1 626 . 1 1 66 66 ILE HA H 1 3.521 0.020 . 1 . . . B 61 ILE HA . 19579 1 627 . 1 1 66 66 ILE HB H 1 1.655 0.020 . 1 . . . B 61 ILE HB . 19579 1 628 . 1 1 66 66 ILE HG12 H 1 0.715 0.020 . 2 . . . B 61 ILE HG12 . 19579 1 629 . 1 1 66 66 ILE HG13 H 1 1.984 0.020 . 2 . . . B 61 ILE HG13 . 19579 1 630 . 1 1 66 66 ILE HG21 H 1 1.033 0.020 . 1 . . . B 61 ILE HG21 . 19579 1 631 . 1 1 66 66 ILE HG22 H 1 1.033 0.020 . 1 . . . B 61 ILE HG22 . 19579 1 632 . 1 1 66 66 ILE HG23 H 1 1.033 0.020 . 1 . . . B 61 ILE HG23 . 19579 1 633 . 1 1 66 66 ILE HD11 H 1 0.586 0.020 . 1 . . . B 61 ILE HD11 . 19579 1 634 . 1 1 66 66 ILE HD12 H 1 0.586 0.020 . 1 . . . B 61 ILE HD12 . 19579 1 635 . 1 1 66 66 ILE HD13 H 1 0.586 0.020 . 1 . . . B 61 ILE HD13 . 19579 1 636 . 1 1 66 66 ILE C C 13 176.972 0.3 . 1 . . . B 61 ILE C . 19579 1 637 . 1 1 66 66 ILE CA C 13 66.562 0.3 . 1 . . . B 61 ILE CA . 19579 1 638 . 1 1 66 66 ILE CB C 13 39.006 0.3 . 1 . . . B 61 ILE CB . 19579 1 639 . 1 1 66 66 ILE CG1 C 13 30.273 0.3 . 1 . . . B 61 ILE CG1 . 19579 1 640 . 1 1 66 66 ILE CG2 C 13 18.324 0.3 . 1 . . . B 61 ILE CG2 . 19579 1 641 . 1 1 66 66 ILE CD1 C 13 13.201 0.3 . 1 . . . B 61 ILE CD1 . 19579 1 642 . 1 1 66 66 ILE N N 15 121.116 0.3 . 1 . . . B 61 ILE N . 19579 1 643 . 1 1 67 67 TYR H H 1 9.192 0.020 . 1 . . . B 62 TYR H . 19579 1 644 . 1 1 67 67 TYR HA H 1 3.623 0.020 . 1 . . . B 62 TYR HA . 19579 1 645 . 1 1 67 67 TYR HB2 H 1 2.823 0.020 . 2 . . . B 62 TYR HB2 . 19579 1 646 . 1 1 67 67 TYR HB3 H 1 2.425 0.020 . 2 . . . B 62 TYR HB3 . 19579 1 647 . 1 1 67 67 TYR HD1 H 1 6.648 0.020 . 1 . . . B 62 TYR HD1 . 19579 1 648 . 1 1 67 67 TYR HD2 H 1 6.648 0.020 . 1 . . . B 62 TYR HD2 . 19579 1 649 . 1 1 67 67 TYR HE1 H 1 6.639 0.020 . 1 . . . B 62 TYR HE1 . 19579 1 650 . 1 1 67 67 TYR HE2 H 1 6.639 0.020 . 1 . . . B 62 TYR HE2 . 19579 1 651 . 1 1 67 67 TYR C C 13 176.828 0.3 . 1 . . . B 62 TYR C . 19579 1 652 . 1 1 67 67 TYR CA C 13 63.083 0.3 . 1 . . . B 62 TYR CA . 19579 1 653 . 1 1 67 67 TYR CB C 13 38.975 0.3 . 1 . . . B 62 TYR CB . 19579 1 654 . 1 1 67 67 TYR CD1 C 13 132.580 0.3 . 1 . . . B 62 TYR CD1 . 19579 1 655 . 1 1 67 67 TYR CD2 C 13 132.580 0.3 . 1 . . . B 62 TYR CD2 . 19579 1 656 . 1 1 67 67 TYR CE1 C 13 118.285 0.3 . 1 . . . B 62 TYR CE1 . 19579 1 657 . 1 1 67 67 TYR CE2 C 13 118.285 0.3 . 1 . . . B 62 TYR CE2 . 19579 1 658 . 1 1 67 67 TYR N N 15 119.953 0.3 . 1 . . . B 62 TYR N . 19579 1 659 . 1 1 68 68 SER H H 1 8.320 0.020 . 1 . . . B 63 SER H . 19579 1 660 . 1 1 68 68 SER HA H 1 4.035 0.020 . 1 . . . B 63 SER HA . 19579 1 661 . 1 1 68 68 SER HB2 H 1 4.020 0.020 . 1 . . . B 63 SER HB2 . 19579 1 662 . 1 1 68 68 SER HB3 H 1 4.020 0.020 . 1 . . . B 63 SER HB3 . 19579 1 663 . 1 1 68 68 SER C C 13 177.325 0.3 . 1 . . . B 63 SER C . 19579 1 664 . 1 1 68 68 SER CA C 13 62.027 0.3 . 1 . . . B 63 SER CA . 19579 1 665 . 1 1 68 68 SER CB C 13 62.565 0.3 . 1 . . . B 63 SER CB . 19579 1 666 . 1 1 68 68 SER N N 15 111.464 0.3 . 1 . . . B 63 SER N . 19579 1 667 . 1 1 69 69 GLY H H 1 7.724 0.020 . 1 . . . B 64 GLY H . 19579 1 668 . 1 1 69 69 GLY HA2 H 1 3.721 0.020 . 2 . . . B 64 GLY HA2 . 19579 1 669 . 1 1 69 69 GLY HA3 H 1 3.898 0.020 . 2 . . . B 64 GLY HA3 . 19579 1 670 . 1 1 69 69 GLY C C 13 175.581 0.3 . 1 . . . B 64 GLY C . 19579 1 671 . 1 1 69 69 GLY CA C 13 47.314 0.3 . 1 . . . B 64 GLY CA . 19579 1 672 . 1 1 69 69 GLY N N 15 110.383 0.3 . 1 . . . B 64 GLY N . 19579 1 673 . 1 1 70 70 VAL H H 1 8.584 0.020 . 1 . . . B 65 VAL H . 19579 1 674 . 1 1 70 70 VAL HA H 1 3.244 0.020 . 1 . . . B 65 VAL HA . 19579 1 675 . 1 1 70 70 VAL HB H 1 1.952 0.020 . 1 . . . B 65 VAL HB . 19579 1 676 . 1 1 70 70 VAL HG11 H 1 0.811 0.020 . 2 . . . B 65 VAL HG11 . 19579 1 677 . 1 1 70 70 VAL HG12 H 1 0.811 0.020 . 2 . . . B 65 VAL HG12 . 19579 1 678 . 1 1 70 70 VAL HG13 H 1 0.811 0.020 . 2 . . . B 65 VAL HG13 . 19579 1 679 . 1 1 70 70 VAL HG21 H 1 0.709 0.020 . 2 . . . B 65 VAL HG21 . 19579 1 680 . 1 1 70 70 VAL HG22 H 1 0.709 0.020 . 2 . . . B 65 VAL HG22 . 19579 1 681 . 1 1 70 70 VAL HG23 H 1 0.709 0.020 . 2 . . . B 65 VAL HG23 . 19579 1 682 . 1 1 70 70 VAL C C 13 180.072 0.3 . 1 . . . B 65 VAL C . 19579 1 683 . 1 1 70 70 VAL CA C 13 67.004 0.3 . 1 . . . B 65 VAL CA . 19579 1 684 . 1 1 70 70 VAL CB C 13 31.708 0.3 . 1 . . . B 65 VAL CB . 19579 1 685 . 1 1 70 70 VAL CG1 C 13 22.581 0.3 . 1 . . . B 65 VAL CG1 . 19579 1 686 . 1 1 70 70 VAL CG2 C 13 22.090 0.3 . 1 . . . B 65 VAL CG2 . 19579 1 687 . 1 1 70 70 VAL N N 15 124.665 0.3 . 1 . . . B 65 VAL N . 19579 1 688 . 1 1 71 71 VAL H H 1 8.305 0.020 . 1 . . . B 66 VAL H . 19579 1 689 . 1 1 71 71 VAL HA H 1 3.723 0.020 . 1 . . . B 66 VAL HA . 19579 1 690 . 1 1 71 71 VAL HB H 1 1.785 0.020 . 1 . . . B 66 VAL HB . 19579 1 691 . 1 1 71 71 VAL HG11 H 1 0.535 0.020 . 2 . . . B 66 VAL HG11 . 19579 1 692 . 1 1 71 71 VAL HG12 H 1 0.535 0.020 . 2 . . . B 66 VAL HG12 . 19579 1 693 . 1 1 71 71 VAL HG13 H 1 0.535 0.020 . 2 . . . B 66 VAL HG13 . 19579 1 694 . 1 1 71 71 VAL HG21 H 1 0.785 0.020 . 2 . . . B 66 VAL HG21 . 19579 1 695 . 1 1 71 71 VAL HG22 H 1 0.785 0.020 . 2 . . . B 66 VAL HG22 . 19579 1 696 . 1 1 71 71 VAL HG23 H 1 0.785 0.020 . 2 . . . B 66 VAL HG23 . 19579 1 697 . 1 1 71 71 VAL C C 13 179.829 0.3 . 1 . . . B 66 VAL C . 19579 1 698 . 1 1 71 71 VAL CA C 13 66.215 0.3 . 1 . . . B 66 VAL CA . 19579 1 699 . 1 1 71 71 VAL CB C 13 31.755 0.3 . 1 . . . B 66 VAL CB . 19579 1 700 . 1 1 71 71 VAL CG1 C 13 22.434 0.3 . 1 . . . B 66 VAL CG1 . 19579 1 701 . 1 1 71 71 VAL CG2 C 13 20.981 0.3 . 1 . . . B 66 VAL CG2 . 19579 1 702 . 1 1 71 71 VAL N N 15 120.803 0.3 . 1 . . . B 66 VAL N . 19579 1 703 . 1 1 72 72 ALA H H 1 7.979 0.020 . 1 . . . B 67 ALA H . 19579 1 704 . 1 1 72 72 ALA HA H 1 4.164 0.020 . 1 . . . B 67 ALA HA . 19579 1 705 . 1 1 72 72 ALA HB1 H 1 1.492 0.020 . 1 . . . B 67 ALA HB1 . 19579 1 706 . 1 1 72 72 ALA HB2 H 1 1.492 0.020 . 1 . . . B 67 ALA HB2 . 19579 1 707 . 1 1 72 72 ALA HB3 H 1 1.492 0.020 . 1 . . . B 67 ALA HB3 . 19579 1 708 . 1 1 72 72 ALA C C 13 178.560 0.3 . 1 . . . B 67 ALA C . 19579 1 709 . 1 1 72 72 ALA CA C 13 54.424 0.3 . 1 . . . B 67 ALA CA . 19579 1 710 . 1 1 72 72 ALA CB C 13 18.011 0.3 . 1 . . . B 67 ALA CB . 19579 1 711 . 1 1 72 72 ALA N N 15 123.266 0.3 . 1 . . . B 67 ALA N . 19579 1 712 . 1 1 73 73 SER H H 1 7.674 0.020 . 1 . . . B 68 SER H . 19579 1 713 . 1 1 73 73 SER HA H 1 4.436 0.020 . 1 . . . B 68 SER HA . 19579 1 714 . 1 1 73 73 SER HB2 H 1 4.105 0.020 . 2 . . . B 68 SER HB2 . 19579 1 715 . 1 1 73 73 SER HB3 H 1 3.941 0.020 . 2 . . . B 68 SER HB3 . 19579 1 716 . 1 1 73 73 SER C C 13 174.555 0.3 . 1 . . . B 68 SER C . 19579 1 717 . 1 1 73 73 SER CA C 13 59.634 0.3 . 1 . . . B 68 SER CA . 19579 1 718 . 1 1 73 73 SER CB C 13 63.943 0.3 . 1 . . . B 68 SER CB . 19579 1 719 . 1 1 73 73 SER N N 15 112.669 0.3 . 1 . . . B 68 SER N . 19579 1 720 . 1 1 74 74 GLY H H 1 7.939 0.020 . 1 . . . B 69 GLY H . 19579 1 721 . 1 1 74 74 GLY HA2 H 1 3.680 0.020 . 2 . . . B 69 GLY HA2 . 19579 1 722 . 1 1 74 74 GLY HA3 H 1 4.295 0.020 . 2 . . . B 69 GLY HA3 . 19579 1 723 . 1 1 74 74 GLY C C 13 173.904 0.3 . 1 . . . B 69 GLY C . 19579 1 724 . 1 1 74 74 GLY CA C 13 45.231 0.3 . 1 . . . B 69 GLY CA . 19579 1 725 . 1 1 74 74 GLY N N 15 109.146 0.3 . 1 . . . B 69 GLY N . 19579 1 726 . 1 1 75 75 VAL H H 1 6.723 0.020 . 1 . . . B 70 VAL H . 19579 1 727 . 1 1 75 75 VAL HA H 1 3.910 0.020 . 1 . . . B 70 VAL HA . 19579 1 728 . 1 1 75 75 VAL HB H 1 1.648 0.020 . 1 . . . B 70 VAL HB . 19579 1 729 . 1 1 75 75 VAL HG11 H 1 0.715 0.020 . 2 . . . B 70 VAL HG11 . 19579 1 730 . 1 1 75 75 VAL HG12 H 1 0.715 0.020 . 2 . . . B 70 VAL HG12 . 19579 1 731 . 1 1 75 75 VAL HG13 H 1 0.715 0.020 . 2 . . . B 70 VAL HG13 . 19579 1 732 . 1 1 75 75 VAL HG21 H 1 0.804 0.020 . 2 . . . B 70 VAL HG21 . 19579 1 733 . 1 1 75 75 VAL HG22 H 1 0.804 0.020 . 2 . . . B 70 VAL HG22 . 19579 1 734 . 1 1 75 75 VAL HG23 H 1 0.804 0.020 . 2 . . . B 70 VAL HG23 . 19579 1 735 . 1 1 75 75 VAL C C 13 174.997 0.3 . 1 . . . B 70 VAL C . 19579 1 736 . 1 1 75 75 VAL CA C 13 62.284 0.3 . 1 . . . B 70 VAL CA . 19579 1 737 . 1 1 75 75 VAL CB C 13 32.424 0.3 . 1 . . . B 70 VAL CB . 19579 1 738 . 1 1 75 75 VAL CG1 C 13 20.955 0.3 . 1 . . . B 70 VAL CG1 . 19579 1 739 . 1 1 75 75 VAL CG2 C 13 21.017 0.3 . 1 . . . B 70 VAL CG2 . 19579 1 740 . 1 1 75 75 VAL N N 15 119.926 0.3 . 1 . . . B 70 VAL N . 19579 1 741 . 1 1 76 76 SER H H 1 8.577 0.020 . 1 . . . B 71 SER H . 19579 1 742 . 1 1 76 76 SER HA H 1 4.386 0.020 . 1 . . . B 71 SER HA . 19579 1 743 . 1 1 76 76 SER HB2 H 1 4.118 0.020 . 2 . . . B 71 SER HB2 . 19579 1 744 . 1 1 76 76 SER HB3 H 1 3.956 0.020 . 2 . . . B 71 SER HB3 . 19579 1 745 . 1 1 76 76 SER C C 13 175.559 0.3 . 1 . . . B 71 SER C . 19579 1 746 . 1 1 76 76 SER CA C 13 58.441 0.3 . 1 . . . B 71 SER CA . 19579 1 747 . 1 1 76 76 SER CB C 13 64.632 0.3 . 1 . . . B 71 SER CB . 19579 1 748 . 1 1 76 76 SER N N 15 120.581 0.3 . 1 . . . B 71 SER N . 19579 1 749 . 1 1 77 77 SER H H 1 8.889 0.020 . 1 . . . B 72 SER H . 19579 1 750 . 1 1 77 77 SER HA H 1 4.083 0.020 . 1 . . . B 72 SER HA . 19579 1 751 . 1 1 77 77 SER HB2 H 1 4.031 0.020 . 1 . . . B 72 SER HB2 . 19579 1 752 . 1 1 77 77 SER HB3 H 1 4.031 0.020 . 1 . . . B 72 SER HB3 . 19579 1 753 . 1 1 77 77 SER C C 13 176.255 0.3 . 1 . . . B 72 SER C . 19579 1 754 . 1 1 77 77 SER CA C 13 61.586 0.3 . 1 . . . B 72 SER CA . 19579 1 755 . 1 1 77 77 SER CB C 13 62.622 0.3 . 1 . . . B 72 SER CB . 19579 1 756 . 1 1 77 77 SER N N 15 117.898 0.3 . 1 . . . B 72 SER N . 19579 1 757 . 1 1 78 78 ASN H H 1 8.519 0.020 . 1 . . . B 73 ASN H . 19579 1 758 . 1 1 78 78 ASN HA H 1 4.657 0.020 . 1 . . . B 73 ASN HA . 19579 1 759 . 1 1 78 78 ASN HB2 H 1 2.873 0.020 . 2 . . . B 73 ASN HB2 . 19579 1 760 . 1 1 78 78 ASN HB3 H 1 2.903 0.020 . 2 . . . B 73 ASN HB3 . 19579 1 761 . 1 1 78 78 ASN HD21 H 1 7.602 0.020 . 1 . . . B 73 ASN HD21 . 19579 1 762 . 1 1 78 78 ASN HD22 H 1 7.010 0.020 . 1 . . . B 73 ASN HD22 . 19579 1 763 . 1 1 78 78 ASN C C 13 176.506 0.3 . 1 . . . B 73 ASN C . 19579 1 764 . 1 1 78 78 ASN CA C 13 56.061 0.3 . 1 . . . B 73 ASN CA . 19579 1 765 . 1 1 78 78 ASN CB C 13 38.000 0.3 . 1 . . . B 73 ASN CB . 19579 1 766 . 1 1 78 78 ASN N N 15 118.976 0.3 . 1 . . . B 73 ASN N . 19579 1 767 . 1 1 78 78 ASN ND2 N 15 112.880 0.3 . 1 . . . B 73 ASN ND2 . 19579 1 768 . 1 1 79 79 GLU H H 1 7.768 0.020 . 1 . . . B 74 GLU H . 19579 1 769 . 1 1 79 79 GLU HA H 1 4.110 0.020 . 1 . . . B 74 GLU HA . 19579 1 770 . 1 1 79 79 GLU HB2 H 1 1.991 0.020 . 1 . . . B 74 GLU HB2 . 19579 1 771 . 1 1 79 79 GLU HB3 H 1 1.991 0.020 . 1 . . . B 74 GLU HB3 . 19579 1 772 . 1 1 79 79 GLU HG2 H 1 2.288 0.020 . 2 . . . B 74 GLU HG2 . 19579 1 773 . 1 1 79 79 GLU HG3 H 1 2.193 0.020 . 2 . . . B 74 GLU HG3 . 19579 1 774 . 1 1 79 79 GLU C C 13 176.994 0.3 . 1 . . . B 74 GLU C . 19579 1 775 . 1 1 79 79 GLU CA C 13 58.026 0.3 . 1 . . . B 74 GLU CA . 19579 1 776 . 1 1 79 79 GLU CB C 13 31.363 0.3 . 1 . . . B 74 GLU CB . 19579 1 777 . 1 1 79 79 GLU CG C 13 37.338 0.3 . 1 . . . B 74 GLU CG . 19579 1 778 . 1 1 79 79 GLU N N 15 118.543 0.3 . 1 . . . B 74 GLU N . 19579 1 779 . 1 1 80 80 ALA H H 1 8.069 0.020 . 1 . . . B 75 ALA H . 19579 1 780 . 1 1 80 80 ALA HA H 1 3.690 0.020 . 1 . . . B 75 ALA HA . 19579 1 781 . 1 1 80 80 ALA HB1 H 1 1.051 0.020 . 1 . . . B 75 ALA HB1 . 19579 1 782 . 1 1 80 80 ALA HB2 H 1 1.051 0.020 . 1 . . . B 75 ALA HB2 . 19579 1 783 . 1 1 80 80 ALA HB3 H 1 1.051 0.020 . 1 . . . B 75 ALA HB3 . 19579 1 784 . 1 1 80 80 ALA C C 13 178.318 0.3 . 1 . . . B 75 ALA C . 19579 1 785 . 1 1 80 80 ALA CA C 13 55.228 0.3 . 1 . . . B 75 ALA CA . 19579 1 786 . 1 1 80 80 ALA CB C 13 18.641 0.3 . 1 . . . B 75 ALA CB . 19579 1 787 . 1 1 80 80 ALA N N 15 121.901 0.3 . 1 . . . B 75 ALA N . 19579 1 788 . 1 1 81 81 LEU H H 1 8.121 0.020 . 1 . . . B 76 LEU H . 19579 1 789 . 1 1 81 81 LEU HA H 1 4.110 0.020 . 1 . . . B 76 LEU HA . 19579 1 790 . 1 1 81 81 LEU HB2 H 1 1.786 0.020 . 1 . . . B 76 LEU HB2 . 19579 1 791 . 1 1 81 81 LEU HB3 H 1 1.786 0.020 . 1 . . . B 76 LEU HB3 . 19579 1 792 . 1 1 81 81 LEU HG H 1 1.369 0.020 . 1 . . . B 76 LEU HG . 19579 1 793 . 1 1 81 81 LEU HD11 H 1 0.696 0.020 . 2 . . . B 76 LEU HD11 . 19579 1 794 . 1 1 81 81 LEU HD12 H 1 0.696 0.020 . 2 . . . B 76 LEU HD12 . 19579 1 795 . 1 1 81 81 LEU HD13 H 1 0.696 0.020 . 2 . . . B 76 LEU HD13 . 19579 1 796 . 1 1 81 81 LEU HD21 H 1 0.715 0.020 . 2 . . . B 76 LEU HD21 . 19579 1 797 . 1 1 81 81 LEU HD22 H 1 0.715 0.020 . 2 . . . B 76 LEU HD22 . 19579 1 798 . 1 1 81 81 LEU HD23 H 1 0.715 0.020 . 2 . . . B 76 LEU HD23 . 19579 1 799 . 1 1 81 81 LEU C C 13 177.854 0.3 . 1 . . . B 76 LEU C . 19579 1 800 . 1 1 81 81 LEU CA C 13 58.014 0.3 . 1 . . . B 76 LEU CA . 19579 1 801 . 1 1 81 81 LEU CB C 13 40.768 0.3 . 1 . . . B 76 LEU CB . 19579 1 802 . 1 1 81 81 LEU CG C 13 27.467 0.3 . 1 . . . B 76 LEU CG . 19579 1 803 . 1 1 81 81 LEU CD1 C 13 22.249 0.3 . 1 . . . B 76 LEU CD1 . 19579 1 804 . 1 1 81 81 LEU CD2 C 13 25.548 0.3 . 1 . . . B 76 LEU CD2 . 19579 1 805 . 1 1 81 81 LEU N N 15 117.360 0.3 . 1 . . . B 76 LEU N . 19579 1 806 . 1 1 82 82 ILE H H 1 7.607 0.020 . 1 . . . B 77 ILE H . 19579 1 807 . 1 1 82 82 ILE HA H 1 3.452 0.020 . 1 . . . B 77 ILE HA . 19579 1 808 . 1 1 82 82 ILE HB H 1 1.648 0.020 . 1 . . . B 77 ILE HB . 19579 1 809 . 1 1 82 82 ILE HG12 H 1 1.089 0.020 . 2 . . . B 77 ILE HG12 . 19579 1 810 . 1 1 82 82 ILE HG13 H 1 0.916 0.020 . 2 . . . B 77 ILE HG13 . 19579 1 811 . 1 1 82 82 ILE HG21 H 1 0.613 0.020 . 1 . . . B 77 ILE HG21 . 19579 1 812 . 1 1 82 82 ILE HG22 H 1 0.613 0.020 . 1 . . . B 77 ILE HG22 . 19579 1 813 . 1 1 82 82 ILE HG23 H 1 0.613 0.020 . 1 . . . B 77 ILE HG23 . 19579 1 814 . 1 1 82 82 ILE HD11 H 1 0.393 0.020 . 1 . . . B 77 ILE HD11 . 19579 1 815 . 1 1 82 82 ILE HD12 H 1 0.393 0.020 . 1 . . . B 77 ILE HD12 . 19579 1 816 . 1 1 82 82 ILE HD13 H 1 0.393 0.020 . 1 . . . B 77 ILE HD13 . 19579 1 817 . 1 1 82 82 ILE C C 13 176.883 0.3 . 1 . . . B 77 ILE C . 19579 1 818 . 1 1 82 82 ILE CA C 13 64.258 0.3 . 1 . . . B 77 ILE CA . 19579 1 819 . 1 1 82 82 ILE CB C 13 36.742 0.3 . 1 . . . B 77 ILE CB . 19579 1 820 . 1 1 82 82 ILE CG1 C 13 28.829 0.3 . 1 . . . B 77 ILE CG1 . 19579 1 821 . 1 1 82 82 ILE CG2 C 13 17.124 0.3 . 1 . . . B 77 ILE CG2 . 19579 1 822 . 1 1 82 82 ILE CD1 C 13 12.106 0.3 . 1 . . . B 77 ILE CD1 . 19579 1 823 . 1 1 82 82 ILE N N 15 116.714 0.3 . 1 . . . B 77 ILE N . 19579 1 824 . 1 1 83 83 GLN H H 1 8.119 0.020 . 1 . . . B 78 GLN H . 19579 1 825 . 1 1 83 83 GLN HA H 1 3.632 0.020 . 1 . . . B 78 GLN HA . 19579 1 826 . 1 1 83 83 GLN HB2 H 1 1.820 0.020 . 2 . . . B 78 GLN HB2 . 19579 1 827 . 1 1 83 83 GLN HB3 H 1 2.120 0.020 . 2 . . . B 78 GLN HB3 . 19579 1 828 . 1 1 83 83 GLN HG2 H 1 2.413 0.020 . 2 . . . B 78 GLN HG2 . 19579 1 829 . 1 1 83 83 GLN HG3 H 1 2.287 0.020 . 2 . . . B 78 GLN HG3 . 19579 1 830 . 1 1 83 83 GLN HE21 H 1 6.333 0.020 . 1 . . . B 78 GLN HE21 . 19579 1 831 . 1 1 83 83 GLN HE22 H 1 8.558 0.020 . 1 . . . B 78 GLN HE22 . 19579 1 832 . 1 1 83 83 GLN C C 13 177.521 0.3 . 1 . . . B 78 GLN C . 19579 1 833 . 1 1 83 83 GLN CA C 13 60.320 0.3 . 1 . . . B 78 GLN CA . 19579 1 834 . 1 1 83 83 GLN CB C 13 28.175 0.3 . 1 . . . B 78 GLN CB . 19579 1 835 . 1 1 83 83 GLN CG C 13 33.133 0.3 . 1 . . . B 78 GLN CG . 19579 1 836 . 1 1 83 83 GLN N N 15 119.338 0.3 . 1 . . . B 78 GLN N . 19579 1 837 . 1 1 83 83 GLN NE2 N 15 110.837 0.3 . 1 . . . B 78 GLN NE2 . 19579 1 838 . 1 1 84 84 ALA H H 1 8.639 0.020 . 1 . . . B 79 ALA H . 19579 1 839 . 1 1 84 84 ALA HA H 1 3.872 0.020 . 1 . . . B 79 ALA HA . 19579 1 840 . 1 1 84 84 ALA HB1 H 1 1.410 0.020 . 1 . . . B 79 ALA HB1 . 19579 1 841 . 1 1 84 84 ALA HB2 H 1 1.410 0.020 . 1 . . . B 79 ALA HB2 . 19579 1 842 . 1 1 84 84 ALA HB3 H 1 1.410 0.020 . 1 . . . B 79 ALA HB3 . 19579 1 843 . 1 1 84 84 ALA C C 13 179.311 0.3 . 1 . . . B 79 ALA C . 19579 1 844 . 1 1 84 84 ALA CA C 13 54.825 0.3 . 1 . . . B 79 ALA CA . 19579 1 845 . 1 1 84 84 ALA CB C 13 17.819 0.3 . 1 . . . B 79 ALA CB . 19579 1 846 . 1 1 84 84 ALA N N 15 119.218 0.3 . 1 . . . B 79 ALA N . 19579 1 847 . 1 1 85 85 LEU H H 1 8.450 0.020 . 1 . . . B 80 LEU H . 19579 1 848 . 1 1 85 85 LEU HA H 1 3.899 0.020 . 1 . . . B 80 LEU HA . 19579 1 849 . 1 1 85 85 LEU HB2 H 1 1.993 0.020 . 2 . . . B 80 LEU HB2 . 19579 1 850 . 1 1 85 85 LEU HB3 H 1 1.143 0.020 . 2 . . . B 80 LEU HB3 . 19579 1 851 . 1 1 85 85 LEU HG H 1 1.953 0.020 . 1 . . . B 80 LEU HG . 19579 1 852 . 1 1 85 85 LEU HD11 H 1 0.650 0.020 . 2 . . . B 80 LEU HD11 . 19579 1 853 . 1 1 85 85 LEU HD12 H 1 0.650 0.020 . 2 . . . B 80 LEU HD12 . 19579 1 854 . 1 1 85 85 LEU HD13 H 1 0.650 0.020 . 2 . . . B 80 LEU HD13 . 19579 1 855 . 1 1 85 85 LEU HD21 H 1 0.606 0.020 . 2 . . . B 80 LEU HD21 . 19579 1 856 . 1 1 85 85 LEU HD22 H 1 0.606 0.020 . 2 . . . B 80 LEU HD22 . 19579 1 857 . 1 1 85 85 LEU HD23 H 1 0.606 0.020 . 2 . . . B 80 LEU HD23 . 19579 1 858 . 1 1 85 85 LEU C C 13 178.914 0.3 . 1 . . . B 80 LEU C . 19579 1 859 . 1 1 85 85 LEU CA C 13 58.011 0.3 . 1 . . . B 80 LEU CA . 19579 1 860 . 1 1 85 85 LEU CB C 13 41.615 0.3 . 1 . . . B 80 LEU CB . 19579 1 861 . 1 1 85 85 LEU CG C 13 26.239 0.3 . 1 . . . B 80 LEU CG . 19579 1 862 . 1 1 85 85 LEU CD1 C 13 25.863 0.3 . 1 . . . B 80 LEU CD1 . 19579 1 863 . 1 1 85 85 LEU CD2 C 13 22.253 0.3 . 1 . . . B 80 LEU CD2 . 19579 1 864 . 1 1 85 85 LEU N N 15 116.262 0.3 . 1 . . . B 80 LEU N . 19579 1 865 . 1 1 86 86 LEU H H 1 8.151 0.020 . 1 . . . B 81 LEU H . 19579 1 866 . 1 1 86 86 LEU HA H 1 3.972 0.020 . 1 . . . B 81 LEU HA . 19579 1 867 . 1 1 86 86 LEU HB2 H 1 1.357 0.020 . 2 . . . B 81 LEU HB2 . 19579 1 868 . 1 1 86 86 LEU HB3 H 1 2.115 0.020 . 2 . . . B 81 LEU HB3 . 19579 1 869 . 1 1 86 86 LEU HG H 1 1.930 0.020 . 1 . . . B 81 LEU HG . 19579 1 870 . 1 1 86 86 LEU HD11 H 1 0.695 0.020 . 2 . . . B 81 LEU HD11 . 19579 1 871 . 1 1 86 86 LEU HD12 H 1 0.695 0.020 . 2 . . . B 81 LEU HD12 . 19579 1 872 . 1 1 86 86 LEU HD13 H 1 0.695 0.020 . 2 . . . B 81 LEU HD13 . 19579 1 873 . 1 1 86 86 LEU HD21 H 1 0.679 0.020 . 2 . . . B 81 LEU HD21 . 19579 1 874 . 1 1 86 86 LEU HD22 H 1 0.679 0.020 . 2 . . . B 81 LEU HD22 . 19579 1 875 . 1 1 86 86 LEU HD23 H 1 0.679 0.020 . 2 . . . B 81 LEU HD23 . 19579 1 876 . 1 1 86 86 LEU C C 13 180.127 0.3 . 1 . . . B 81 LEU C . 19579 1 877 . 1 1 86 86 LEU CA C 13 57.983 0.3 . 1 . . . B 81 LEU CA . 19579 1 878 . 1 1 86 86 LEU CB C 13 42.543 0.3 . 1 . . . B 81 LEU CB . 19579 1 879 . 1 1 86 86 LEU CG C 13 26.453 0.3 . 1 . . . B 81 LEU CG . 19579 1 880 . 1 1 86 86 LEU CD1 C 13 24.208 0.3 . 1 . . . B 81 LEU CD1 . 19579 1 881 . 1 1 86 86 LEU CD2 C 13 26.884 0.3 . 1 . . . B 81 LEU CD2 . 19579 1 882 . 1 1 86 86 LEU N N 15 118.995 0.3 . 1 . . . B 81 LEU N . 19579 1 883 . 1 1 87 87 GLU H H 1 8.659 0.020 . 1 . . . B 82 GLU H . 19579 1 884 . 1 1 87 87 GLU HA H 1 3.633 0.020 . 1 . . . B 82 GLU HA . 19579 1 885 . 1 1 87 87 GLU HB2 H 1 1.930 0.020 . 1 . . . B 82 GLU HB2 . 19579 1 886 . 1 1 87 87 GLU HB3 H 1 1.930 0.020 . 1 . . . B 82 GLU HB3 . 19579 1 887 . 1 1 87 87 GLU HG2 H 1 1.696 0.020 . 2 . . . B 82 GLU HG2 . 19579 1 888 . 1 1 87 87 GLU HG3 H 1 2.412 0.020 . 2 . . . B 82 GLU HG3 . 19579 1 889 . 1 1 87 87 GLU C C 13 178.505 0.3 . 1 . . . B 82 GLU C . 19579 1 890 . 1 1 87 87 GLU CA C 13 61.300 0.3 . 1 . . . B 82 GLU CA . 19579 1 891 . 1 1 87 87 GLU CB C 13 29.779 0.3 . 1 . . . B 82 GLU CB . 19579 1 892 . 1 1 87 87 GLU CG C 13 38.529 0.3 . 1 . . . B 82 GLU CG . 19579 1 893 . 1 1 87 87 GLU N N 15 124.890 0.3 . 1 . . . B 82 GLU N . 19579 1 894 . 1 1 88 88 LEU H H 1 8.658 0.020 . 1 . . . B 83 LEU H . 19579 1 895 . 1 1 88 88 LEU HA H 1 3.820 0.020 . 1 . . . B 83 LEU HA . 19579 1 896 . 1 1 88 88 LEU HB2 H 1 2.055 0.020 . 2 . . . B 83 LEU HB2 . 19579 1 897 . 1 1 88 88 LEU HB3 H 1 1.367 0.020 . 2 . . . B 83 LEU HB3 . 19579 1 898 . 1 1 88 88 LEU HG H 1 1.455 0.020 . 1 . . . B 83 LEU HG . 19579 1 899 . 1 1 88 88 LEU HD11 H 1 0.762 0.020 . 2 . . . B 83 LEU HD11 . 19579 1 900 . 1 1 88 88 LEU HD12 H 1 0.762 0.020 . 2 . . . B 83 LEU HD12 . 19579 1 901 . 1 1 88 88 LEU HD13 H 1 0.762 0.020 . 2 . . . B 83 LEU HD13 . 19579 1 902 . 1 1 88 88 LEU HD21 H 1 0.791 0.020 . 2 . . . B 83 LEU HD21 . 19579 1 903 . 1 1 88 88 LEU HD22 H 1 0.791 0.020 . 2 . . . B 83 LEU HD22 . 19579 1 904 . 1 1 88 88 LEU HD23 H 1 0.791 0.020 . 2 . . . B 83 LEU HD23 . 19579 1 905 . 1 1 88 88 LEU C C 13 178.163 0.3 . 1 . . . B 83 LEU C . 19579 1 906 . 1 1 88 88 LEU CA C 13 58.155 0.3 . 1 . . . B 83 LEU CA . 19579 1 907 . 1 1 88 88 LEU CB C 13 41.634 0.3 . 1 . . . B 83 LEU CB . 19579 1 908 . 1 1 88 88 LEU CG C 13 26.852 0.3 . 1 . . . B 83 LEU CG . 19579 1 909 . 1 1 88 88 LEU CD1 C 13 23.234 0.3 . 1 . . . B 83 LEU CD1 . 19579 1 910 . 1 1 88 88 LEU CD2 C 13 26.873 0.3 . 1 . . . B 83 LEU CD2 . 19579 1 911 . 1 1 88 88 LEU N N 15 121.487 0.3 . 1 . . . B 83 LEU N . 19579 1 912 . 1 1 89 89 LEU H H 1 8.803 0.020 . 1 . . . B 84 LEU H . 19579 1 913 . 1 1 89 89 LEU HA H 1 3.786 0.020 . 1 . . . B 84 LEU HA . 19579 1 914 . 1 1 89 89 LEU HB2 H 1 1.870 0.020 . 2 . . . B 84 LEU HB2 . 19579 1 915 . 1 1 89 89 LEU HB3 H 1 1.689 0.020 . 2 . . . B 84 LEU HB3 . 19579 1 916 . 1 1 89 89 LEU HG H 1 1.684 0.020 . 1 . . . B 84 LEU HG . 19579 1 917 . 1 1 89 89 LEU HD21 H 1 0.794 0.020 . 1 . . . B 84 LEU HD21 . 19579 1 918 . 1 1 89 89 LEU HD22 H 1 0.794 0.020 . 1 . . . B 84 LEU HD22 . 19579 1 919 . 1 1 89 89 LEU HD23 H 1 0.794 0.020 . 1 . . . B 84 LEU HD23 . 19579 1 920 . 1 1 89 89 LEU C C 13 178.064 0.3 . 1 . . . B 84 LEU C . 19579 1 921 . 1 1 89 89 LEU CA C 13 58.663 0.3 . 1 . . . B 84 LEU CA . 19579 1 922 . 1 1 89 89 LEU CB C 13 42.205 0.3 . 1 . . . B 84 LEU CB . 19579 1 923 . 1 1 89 89 LEU CG C 13 27.149 0.3 . 1 . . . B 84 LEU CG . 19579 1 924 . 1 1 89 89 LEU CD1 C 13 26.061 0.3 . 1 . . . B 84 LEU CD1 . 19579 1 925 . 1 1 89 89 LEU CD2 C 13 26.061 0.3 . 1 . . . B 84 LEU CD2 . 19579 1 926 . 1 1 89 89 LEU N N 15 118.904 0.3 . 1 . . . B 84 LEU N . 19579 1 927 . 1 1 90 90 SER H H 1 7.879 0.020 . 1 . . . B 85 SER H . 19579 1 928 . 1 1 90 90 SER HA H 1 4.211 0.020 . 1 . . . B 85 SER HA . 19579 1 929 . 1 1 90 90 SER HB2 H 1 3.442 0.020 . 2 . . . B 85 SER HB2 . 19579 1 930 . 1 1 90 90 SER HB3 H 1 3.965 0.020 . 2 . . . B 85 SER HB3 . 19579 1 931 . 1 1 90 90 SER C C 13 174.633 0.3 . 1 . . . B 85 SER C . 19579 1 932 . 1 1 90 90 SER CA C 13 62.957 0.3 . 1 . . . B 85 SER CA . 19579 1 933 . 1 1 90 90 SER CB C 13 62.947 0.3 . 1 . . . B 85 SER CB . 19579 1 934 . 1 1 90 90 SER N N 15 114.347 0.3 . 1 . . . B 85 SER N . 19579 1 935 . 1 1 91 91 ALA H H 1 8.199 0.020 . 1 . . . B 86 ALA H . 19579 1 936 . 1 1 91 91 ALA HA H 1 3.770 0.020 . 1 . . . B 86 ALA HA . 19579 1 937 . 1 1 91 91 ALA HB1 H 1 1.374 0.020 . 1 . . . B 86 ALA HB1 . 19579 1 938 . 1 1 91 91 ALA HB2 H 1 1.374 0.020 . 1 . . . B 86 ALA HB2 . 19579 1 939 . 1 1 91 91 ALA HB3 H 1 1.374 0.020 . 1 . . . B 86 ALA HB3 . 19579 1 940 . 1 1 91 91 ALA C C 13 178.538 0.3 . 1 . . . B 86 ALA C . 19579 1 941 . 1 1 91 91 ALA CA C 13 55.366 0.3 . 1 . . . B 86 ALA CA . 19579 1 942 . 1 1 91 91 ALA CB C 13 17.344 0.3 . 1 . . . B 86 ALA CB . 19579 1 943 . 1 1 91 91 ALA N N 15 124.206 0.3 . 1 . . . B 86 ALA N . 19579 1 944 . 1 1 92 92 LEU H H 1 8.140 0.020 . 1 . . . B 87 LEU H . 19579 1 945 . 1 1 92 92 LEU HA H 1 3.821 0.020 . 1 . . . B 87 LEU HA . 19579 1 946 . 1 1 92 92 LEU HB2 H 1 2.095 0.020 . 2 . . . B 87 LEU HB2 . 19579 1 947 . 1 1 92 92 LEU HB3 H 1 1.228 0.020 . 2 . . . B 87 LEU HB3 . 19579 1 948 . 1 1 92 92 LEU HG H 1 1.733 0.020 . 1 . . . B 87 LEU HG . 19579 1 949 . 1 1 92 92 LEU HD11 H 1 0.733 0.020 . 2 . . . B 87 LEU HD11 . 19579 1 950 . 1 1 92 92 LEU HD12 H 1 0.733 0.020 . 2 . . . B 87 LEU HD12 . 19579 1 951 . 1 1 92 92 LEU HD13 H 1 0.733 0.020 . 2 . . . B 87 LEU HD13 . 19579 1 952 . 1 1 92 92 LEU HD21 H 1 0.811 0.020 . 2 . . . B 87 LEU HD21 . 19579 1 953 . 1 1 92 92 LEU HD22 H 1 0.811 0.020 . 2 . . . B 87 LEU HD22 . 19579 1 954 . 1 1 92 92 LEU HD23 H 1 0.811 0.020 . 2 . . . B 87 LEU HD23 . 19579 1 955 . 1 1 92 92 LEU C C 13 178.709 0.3 . 1 . . . B 87 LEU C . 19579 1 956 . 1 1 92 92 LEU CA C 13 58.354 0.3 . 1 . . . B 87 LEU CA . 19579 1 957 . 1 1 92 92 LEU CB C 13 42.594 0.3 . 1 . . . B 87 LEU CB . 19579 1 958 . 1 1 92 92 LEU CG C 13 27.847 0.3 . 1 . . . B 87 LEU CG . 19579 1 959 . 1 1 92 92 LEU CD1 C 13 24.858 0.3 . 1 . . . B 87 LEU CD1 . 19579 1 960 . 1 1 92 92 LEU CD2 C 13 27.841 0.3 . 1 . . . B 87 LEU CD2 . 19579 1 961 . 1 1 92 92 LEU N N 15 116.463 0.3 . 1 . . . B 87 LEU N . 19579 1 962 . 1 1 93 93 VAL H H 1 8.716 0.020 . 1 . . . B 88 VAL H . 19579 1 963 . 1 1 93 93 VAL HA H 1 3.403 0.020 . 1 . . . B 88 VAL HA . 19579 1 964 . 1 1 93 93 VAL HB H 1 2.001 0.020 . 1 . . . B 88 VAL HB . 19579 1 965 . 1 1 93 93 VAL HG11 H 1 0.901 0.020 . 2 . . . B 88 VAL HG11 . 19579 1 966 . 1 1 93 93 VAL HG12 H 1 0.901 0.020 . 2 . . . B 88 VAL HG12 . 19579 1 967 . 1 1 93 93 VAL HG13 H 1 0.901 0.020 . 2 . . . B 88 VAL HG13 . 19579 1 968 . 1 1 93 93 VAL HG21 H 1 0.968 0.020 . 2 . . . B 88 VAL HG21 . 19579 1 969 . 1 1 93 93 VAL HG22 H 1 0.968 0.020 . 2 . . . B 88 VAL HG22 . 19579 1 970 . 1 1 93 93 VAL HG23 H 1 0.968 0.020 . 2 . . . B 88 VAL HG23 . 19579 1 971 . 1 1 93 93 VAL C C 13 177.766 0.3 . 1 . . . B 88 VAL C . 19579 1 972 . 1 1 93 93 VAL CA C 13 66.665 0.3 . 1 . . . B 88 VAL CA . 19579 1 973 . 1 1 93 93 VAL CB C 13 31.447 0.3 . 1 . . . B 88 VAL CB . 19579 1 974 . 1 1 93 93 VAL CG1 C 13 22.267 0.3 . 1 . . . B 88 VAL CG1 . 19579 1 975 . 1 1 93 93 VAL CG2 C 13 24.799 0.3 . 1 . . . B 88 VAL CG2 . 19579 1 976 . 1 1 93 93 VAL N N 15 118.854 0.3 . 1 . . . B 88 VAL N . 19579 1 977 . 1 1 94 94 HIS H H 1 8.664 0.020 . 1 . . . B 89 HIS H . 19579 1 978 . 1 1 94 94 HIS HA H 1 4.039 0.020 . 1 . . . B 89 HIS HA . 19579 1 979 . 1 1 94 94 HIS HB2 H 1 3.136 0.020 . 1 . . . B 89 HIS HB2 . 19579 1 980 . 1 1 94 94 HIS HB3 H 1 3.136 0.020 . 1 . . . B 89 HIS HB3 . 19579 1 981 . 1 1 94 94 HIS HD2 H 1 6.535 0.020 . 1 . . . B 89 HIS HD2 . 19579 1 982 . 1 1 94 94 HIS HE1 H 1 7.512 0.020 . 1 . . . B 89 HIS HE1 . 19579 1 983 . 1 1 94 94 HIS C C 13 178.880 0.3 . 1 . . . B 89 HIS C . 19579 1 984 . 1 1 94 94 HIS CA C 13 61.322 0.3 . 1 . . . B 89 HIS CA . 19579 1 985 . 1 1 94 94 HIS CB C 13 31.748 0.3 . 1 . . . B 89 HIS CB . 19579 1 986 . 1 1 94 94 HIS CD2 C 13 116.550 0.3 . 1 . . . B 89 HIS CD2 . 19579 1 987 . 1 1 94 94 HIS CE1 C 13 139.582 0.3 . 1 . . . B 89 HIS CE1 . 19579 1 988 . 1 1 94 94 HIS N N 15 121.227 0.3 . 1 . . . B 89 HIS N . 19579 1 989 . 1 1 95 95 VAL H H 1 7.994 0.020 . 1 . . . B 90 VAL H . 19579 1 990 . 1 1 95 95 VAL HA H 1 3.567 0.020 . 1 . . . B 90 VAL HA . 19579 1 991 . 1 1 95 95 VAL HB H 1 2.129 0.020 . 1 . . . B 90 VAL HB . 19579 1 992 . 1 1 95 95 VAL HG11 H 1 1.167 0.020 . 2 . . . B 90 VAL HG11 . 19579 1 993 . 1 1 95 95 VAL HG12 H 1 1.167 0.020 . 2 . . . B 90 VAL HG12 . 19579 1 994 . 1 1 95 95 VAL HG13 H 1 1.167 0.020 . 2 . . . B 90 VAL HG13 . 19579 1 995 . 1 1 95 95 VAL HG21 H 1 0.890 0.020 . 2 . . . B 90 VAL HG21 . 19579 1 996 . 1 1 95 95 VAL HG22 H 1 0.890 0.020 . 2 . . . B 90 VAL HG22 . 19579 1 997 . 1 1 95 95 VAL HG23 H 1 0.890 0.020 . 2 . . . B 90 VAL HG23 . 19579 1 998 . 1 1 95 95 VAL C C 13 177.733 0.3 . 1 . . . B 90 VAL C . 19579 1 999 . 1 1 95 95 VAL CA C 13 66.830 0.3 . 1 . . . B 90 VAL CA . 19579 1 1000 . 1 1 95 95 VAL CB C 13 31.600 0.3 . 1 . . . B 90 VAL CB . 19579 1 1001 . 1 1 95 95 VAL CG1 C 13 23.882 0.3 . 1 . . . B 90 VAL CG1 . 19579 1 1002 . 1 1 95 95 VAL CG2 C 13 22.611 0.3 . 1 . . . B 90 VAL CG2 . 19579 1 1003 . 1 1 95 95 VAL N N 15 118.094 0.3 . 1 . . . B 90 VAL N . 19579 1 1004 . 1 1 96 96 LEU H H 1 8.393 0.020 . 1 . . . B 91 LEU H . 19579 1 1005 . 1 1 96 96 LEU HA H 1 3.832 0.020 . 1 . . . B 91 LEU HA . 19579 1 1006 . 1 1 96 96 LEU HB2 H 1 1.785 0.020 . 2 . . . B 91 LEU HB2 . 19579 1 1007 . 1 1 96 96 LEU HB3 H 1 1.657 0.020 . 2 . . . B 91 LEU HB3 . 19579 1 1008 . 1 1 96 96 LEU HG H 1 1.685 0.020 . 1 . . . B 91 LEU HG . 19579 1 1009 . 1 1 96 96 LEU HD11 H 1 0.765 0.020 . 2 . . . B 91 LEU HD11 . 19579 1 1010 . 1 1 96 96 LEU HD12 H 1 0.765 0.020 . 2 . . . B 91 LEU HD12 . 19579 1 1011 . 1 1 96 96 LEU HD13 H 1 0.765 0.020 . 2 . . . B 91 LEU HD13 . 19579 1 1012 . 1 1 96 96 LEU HD21 H 1 0.683 0.020 . 2 . . . B 91 LEU HD21 . 19579 1 1013 . 1 1 96 96 LEU HD22 H 1 0.683 0.020 . 2 . . . B 91 LEU HD22 . 19579 1 1014 . 1 1 96 96 LEU HD23 H 1 0.683 0.020 . 2 . . . B 91 LEU HD23 . 19579 1 1015 . 1 1 96 96 LEU C C 13 178.869 0.3 . 1 . . . B 91 LEU C . 19579 1 1016 . 1 1 96 96 LEU CA C 13 57.758 0.3 . 1 . . . B 91 LEU CA . 19579 1 1017 . 1 1 96 96 LEU CB C 13 41.939 0.3 . 1 . . . B 91 LEU CB . 19579 1 1018 . 1 1 96 96 LEU CG C 13 26.882 0.3 . 1 . . . B 91 LEU CG . 19579 1 1019 . 1 1 96 96 LEU CD1 C 13 24.957 0.3 . 1 . . . B 91 LEU CD1 . 19579 1 1020 . 1 1 96 96 LEU CD2 C 13 24.685 0.3 . 1 . . . B 91 LEU CD2 . 19579 1 1021 . 1 1 96 96 LEU N N 15 119.672 0.3 . 1 . . . B 91 LEU N . 19579 1 1022 . 1 1 97 97 SER H H 1 7.900 0.020 . 1 . . . B 92 SER H . 19579 1 1023 . 1 1 97 97 SER HA H 1 4.297 0.020 . 1 . . . B 92 SER HA . 19579 1 1024 . 1 1 97 97 SER HB2 H 1 3.934 0.020 . 1 . . . B 92 SER HB2 . 19579 1 1025 . 1 1 97 97 SER HB3 H 1 3.934 0.020 . 1 . . . B 92 SER HB3 . 19579 1 1026 . 1 1 97 97 SER C C 13 174.500 0.3 . 1 . . . B 92 SER C . 19579 1 1027 . 1 1 97 97 SER CA C 13 61.410 0.3 . 1 . . . B 92 SER CA . 19579 1 1028 . 1 1 97 97 SER CB C 13 63.254 0.3 . 1 . . . B 92 SER CB . 19579 1 1029 . 1 1 97 97 SER N N 15 113.554 0.3 . 1 . . . B 92 SER N . 19579 1 1030 . 1 1 98 98 SER H H 1 7.420 0.020 . 1 . . . B 93 SER H . 19579 1 1031 . 1 1 98 98 SER HA H 1 4.704 0.020 . 1 . . . B 93 SER HA . 19579 1 1032 . 1 1 98 98 SER HB2 H 1 3.939 0.020 . 2 . . . B 93 SER HB2 . 19579 1 1033 . 1 1 98 98 SER HB3 H 1 3.794 0.020 . 2 . . . B 93 SER HB3 . 19579 1 1034 . 1 1 98 98 SER C C 13 173.044 0.3 . 1 . . . B 93 SER C . 19579 1 1035 . 1 1 98 98 SER CA C 13 57.967 0.3 . 1 . . . B 93 SER CA . 19579 1 1036 . 1 1 98 98 SER CB C 13 64.574 0.3 . 1 . . . B 93 SER CB . 19579 1 1037 . 1 1 98 98 SER N N 15 115.055 0.3 . 1 . . . B 93 SER N . 19579 1 1038 . 1 1 99 99 ALA H H 1 7.476 0.020 . 1 . . . B 94 ALA H . 19579 1 1039 . 1 1 99 99 ALA HA H 1 4.629 0.020 . 1 . . . B 94 ALA HA . 19579 1 1040 . 1 1 99 99 ALA HB1 H 1 1.289 0.020 . 1 . . . B 94 ALA HB1 . 19579 1 1041 . 1 1 99 99 ALA HB2 H 1 1.289 0.020 . 1 . . . B 94 ALA HB2 . 19579 1 1042 . 1 1 99 99 ALA HB3 H 1 1.289 0.020 . 1 . . . B 94 ALA HB3 . 19579 1 1043 . 1 1 99 99 ALA C C 13 176.199 0.3 . 1 . . . B 94 ALA C . 19579 1 1044 . 1 1 99 99 ALA CA C 13 51.469 0.3 . 1 . . . B 94 ALA CA . 19579 1 1045 . 1 1 99 99 ALA CB C 13 21.620 0.3 . 1 . . . B 94 ALA CB . 19579 1 1046 . 1 1 99 99 ALA N N 15 124.504 0.3 . 1 . . . B 94 ALA N . 19579 1 1047 . 1 1 100 100 SER H H 1 8.483 0.020 . 1 . . . B 95 SER H . 19579 1 1048 . 1 1 100 100 SER HA H 1 4.758 0.020 . 1 . . . B 95 SER HA . 19579 1 1049 . 1 1 100 100 SER HB2 H 1 3.870 0.020 . 2 . . . B 95 SER HB2 . 19579 1 1050 . 1 1 100 100 SER HB3 H 1 3.786 0.020 . 2 . . . B 95 SER HB3 . 19579 1 1051 . 1 1 100 100 SER C C 13 174.136 0.3 . 1 . . . B 95 SER C . 19579 1 1052 . 1 1 100 100 SER CA C 13 57.343 0.3 . 1 . . . B 95 SER CA . 19579 1 1053 . 1 1 100 100 SER CB C 13 63.303 0.3 . 1 . . . B 95 SER CB . 19579 1 1054 . 1 1 100 100 SER N N 15 115.739 0.3 . 1 . . . B 95 SER N . 19579 1 1055 . 1 1 101 101 ILE H H 1 8.869 0.020 . 1 . . . B 96 ILE H . 19579 1 1056 . 1 1 101 101 ILE HA H 1 3.993 0.020 . 1 . . . B 96 ILE HA . 19579 1 1057 . 1 1 101 101 ILE HB H 1 1.883 0.020 . 1 . . . B 96 ILE HB . 19579 1 1058 . 1 1 101 101 ILE HG12 H 1 1.466 0.020 . 2 . . . B 96 ILE HG12 . 19579 1 1059 . 1 1 101 101 ILE HG13 H 1 1.009 0.020 . 2 . . . B 96 ILE HG13 . 19579 1 1060 . 1 1 101 101 ILE HG21 H 1 0.889 0.020 . 1 . . . B 96 ILE HG21 . 19579 1 1061 . 1 1 101 101 ILE HG22 H 1 0.889 0.020 . 1 . . . B 96 ILE HG22 . 19579 1 1062 . 1 1 101 101 ILE HG23 H 1 0.889 0.020 . 1 . . . B 96 ILE HG23 . 19579 1 1063 . 1 1 101 101 ILE HD11 H 1 0.759 0.020 . 1 . . . B 96 ILE HD11 . 19579 1 1064 . 1 1 101 101 ILE HD12 H 1 0.759 0.020 . 1 . . . B 96 ILE HD12 . 19579 1 1065 . 1 1 101 101 ILE HD13 H 1 0.759 0.020 . 1 . . . B 96 ILE HD13 . 19579 1 1066 . 1 1 101 101 ILE C C 13 175.868 0.3 . 1 . . . B 96 ILE C . 19579 1 1067 . 1 1 101 101 ILE CA C 13 61.362 0.3 . 1 . . . B 96 ILE CA . 19579 1 1068 . 1 1 101 101 ILE CB C 13 38.613 0.3 . 1 . . . B 96 ILE CB . 19579 1 1069 . 1 1 101 101 ILE CG1 C 13 27.821 0.3 . 1 . . . B 96 ILE CG1 . 19579 1 1070 . 1 1 101 101 ILE CG2 C 13 18.600 0.3 . 1 . . . B 96 ILE CG2 . 19579 1 1071 . 1 1 101 101 ILE CD1 C 13 13.068 0.3 . 1 . . . B 96 ILE CD1 . 19579 1 1072 . 1 1 101 101 ILE N N 15 128.288 0.3 . 1 . . . B 96 ILE N . 19579 1 1073 . 1 1 102 102 GLY H H 1 8.272 0.020 . 1 . . . B 97 GLY H . 19579 1 1074 . 1 1 102 102 GLY HA2 H 1 3.630 0.020 . 2 . . . B 97 GLY HA2 . 19579 1 1075 . 1 1 102 102 GLY HA3 H 1 4.294 0.020 . 2 . . . B 97 GLY HA3 . 19579 1 1076 . 1 1 102 102 GLY C C 13 173.022 0.3 . 1 . . . B 97 GLY C . 19579 1 1077 . 1 1 102 102 GLY CA C 13 44.870 0.3 . 1 . . . B 97 GLY CA . 19579 1 1078 . 1 1 102 102 GLY N N 15 115.495 0.3 . 1 . . . B 97 GLY N . 19579 1 1079 . 1 1 103 103 ASN H H 1 8.420 0.020 . 1 . . . B 98 ASN H . 19579 1 1080 . 1 1 103 103 ASN HA H 1 4.648 0.020 . 1 . . . B 98 ASN HA . 19579 1 1081 . 1 1 103 103 ASN HB2 H 1 2.650 0.020 . 2 . . . B 98 ASN HB2 . 19579 1 1082 . 1 1 103 103 ASN HB3 H 1 2.718 0.020 . 2 . . . B 98 ASN HB3 . 19579 1 1083 . 1 1 103 103 ASN HD21 H 1 6.893 0.020 . 1 . . . B 98 ASN HD21 . 19579 1 1084 . 1 1 103 103 ASN HD22 H 1 7.591 0.020 . 1 . . . B 98 ASN HD22 . 19579 1 1085 . 1 1 103 103 ASN C C 13 174.809 0.3 . 1 . . . B 98 ASN C . 19579 1 1086 . 1 1 103 103 ASN CA C 13 53.426 0.3 . 1 . . . B 98 ASN CA . 19579 1 1087 . 1 1 103 103 ASN CB C 13 38.665 0.3 . 1 . . . B 98 ASN CB . 19579 1 1088 . 1 1 103 103 ASN N N 15 120.819 0.3 . 1 . . . B 98 ASN N . 19579 1 1089 . 1 1 103 103 ASN ND2 N 15 113.113 0.3 . 1 . . . B 98 ASN ND2 . 19579 1 1090 . 1 1 104 104 VAL H H 1 8.292 0.020 . 1 . . . B 99 VAL H . 19579 1 1091 . 1 1 104 104 VAL HA H 1 4.174 0.020 . 1 . . . B 99 VAL HA . 19579 1 1092 . 1 1 104 104 VAL HB H 1 1.915 0.020 . 1 . . . B 99 VAL HB . 19579 1 1093 . 1 1 104 104 VAL HG11 H 1 0.861 0.020 . 2 . . . B 99 VAL HG11 . 19579 1 1094 . 1 1 104 104 VAL HG12 H 1 0.861 0.020 . 2 . . . B 99 VAL HG12 . 19579 1 1095 . 1 1 104 104 VAL HG13 H 1 0.861 0.020 . 2 . . . B 99 VAL HG13 . 19579 1 1096 . 1 1 104 104 VAL HG21 H 1 0.879 0.020 . 2 . . . B 99 VAL HG21 . 19579 1 1097 . 1 1 104 104 VAL HG22 H 1 0.879 0.020 . 2 . . . B 99 VAL HG22 . 19579 1 1098 . 1 1 104 104 VAL HG23 H 1 0.879 0.020 . 2 . . . B 99 VAL HG23 . 19579 1 1099 . 1 1 104 104 VAL C C 13 174.500 0.3 . 1 . . . B 99 VAL C . 19579 1 1100 . 1 1 104 104 VAL CA C 13 61.368 0.3 . 1 . . . B 99 VAL CA . 19579 1 1101 . 1 1 104 104 VAL CB C 13 33.406 0.3 . 1 . . . B 99 VAL CB . 19579 1 1102 . 1 1 104 104 VAL CG1 C 13 21.836 0.3 . 1 . . . B 99 VAL CG1 . 19579 1 1103 . 1 1 104 104 VAL CG2 C 13 21.585 0.3 . 1 . . . B 99 VAL CG2 . 19579 1 1104 . 1 1 104 104 VAL N N 15 122.960 0.3 . 1 . . . B 99 VAL N . 19579 1 1105 . 1 1 105 105 SER H H 1 8.644 0.020 . 1 . . . B 100 SER H . 19579 1 1106 . 1 1 105 105 SER HA H 1 4.756 0.020 . 1 . . . B 100 SER HA . 19579 1 1107 . 1 1 105 105 SER HB2 H 1 3.776 0.020 . 2 . . . B 100 SER HB2 . 19579 1 1108 . 1 1 105 105 SER HB3 H 1 3.987 0.020 . 2 . . . B 100 SER HB3 . 19579 1 1109 . 1 1 105 105 SER C C 13 174.235 0.3 . 1 . . . B 100 SER C . 19579 1 1110 . 1 1 105 105 SER CA C 13 56.687 0.3 . 1 . . . B 100 SER CA . 19579 1 1111 . 1 1 105 105 SER CB C 13 64.904 0.3 . 1 . . . B 100 SER CB . 19579 1 1112 . 1 1 105 105 SER N N 15 120.723 0.3 . 1 . . . B 100 SER N . 19579 1 1113 . 1 1 106 106 SER HA H 1 4.130 0.020 . 1 . . . B 101 SER HA . 19579 1 1114 . 1 1 106 106 SER HB2 H 1 3.858 0.020 . 2 . . . B 101 SER HB2 . 19579 1 1115 . 1 1 106 106 SER HB3 H 1 4.001 0.020 . 2 . . . B 101 SER HB3 . 19579 1 1116 . 1 1 106 106 SER CA C 13 59.000 0.3 . 1 . . . B 101 SER CA . 19579 1 1117 . 1 1 106 106 SER CB C 13 63.104 0.3 . 1 . . . B 101 SER CB . 19579 1 1118 . 1 1 106 106 SER N N 15 117.236 0.3 . 1 . . . B 101 SER N . 19579 1 1119 . 1 1 107 107 VAL H H 1 8.090 0.020 . 1 . . . B 102 VAL H . 19579 1 1120 . 1 1 107 107 VAL HA H 1 3.821 0.020 . 1 . . . B 102 VAL HA . 19579 1 1121 . 1 1 107 107 VAL HB H 1 1.933 0.020 . 1 . . . B 102 VAL HB . 19579 1 1122 . 1 1 107 107 VAL HG11 H 1 0.934 0.020 . 2 . . . B 102 VAL HG11 . 19579 1 1123 . 1 1 107 107 VAL HG12 H 1 0.934 0.020 . 2 . . . B 102 VAL HG12 . 19579 1 1124 . 1 1 107 107 VAL HG13 H 1 0.934 0.020 . 2 . . . B 102 VAL HG13 . 19579 1 1125 . 1 1 107 107 VAL HG21 H 1 0.992 0.020 . 2 . . . B 102 VAL HG21 . 19579 1 1126 . 1 1 107 107 VAL HG22 H 1 0.992 0.020 . 2 . . . B 102 VAL HG22 . 19579 1 1127 . 1 1 107 107 VAL HG23 H 1 0.992 0.020 . 2 . . . B 102 VAL HG23 . 19579 1 1128 . 1 1 107 107 VAL C C 13 177.545 0.3 . 1 . . . B 102 VAL C . 19579 1 1129 . 1 1 107 107 VAL CA C 13 64.582 0.3 . 1 . . . B 102 VAL CA . 19579 1 1130 . 1 1 107 107 VAL CB C 13 31.480 0.3 . 1 . . . B 102 VAL CB . 19579 1 1131 . 1 1 107 107 VAL CG1 C 13 20.951 0.3 . 1 . . . B 102 VAL CG1 . 19579 1 1132 . 1 1 107 107 VAL CG2 C 13 21.928 0.3 . 1 . . . B 102 VAL CG2 . 19579 1 1133 . 1 1 107 107 VAL N N 15 124.874 0.3 . 1 . . . B 102 VAL N . 19579 1 1134 . 1 1 108 108 GLY H H 1 9.051 0.020 . 1 . . . B 103 GLY H . 19579 1 1135 . 1 1 108 108 GLY HA2 H 1 4.036 0.020 . 2 . . . B 103 GLY HA2 . 19579 1 1136 . 1 1 108 108 GLY HA3 H 1 4.365 0.020 . 2 . . . B 103 GLY HA3 . 19579 1 1137 . 1 1 108 108 GLY C C 13 176.387 0.3 . 1 . . . B 103 GLY C . 19579 1 1138 . 1 1 108 108 GLY CA C 13 45.686 0.3 . 1 . . . B 103 GLY CA . 19579 1 1139 . 1 1 108 108 GLY N N 15 114.589 0.3 . 1 . . . B 103 GLY N . 19579 1 1140 . 1 1 109 109 VAL H H 1 7.753 0.020 . 1 . . . B 104 VAL H . 19579 1 1141 . 1 1 109 109 VAL HA H 1 3.348 0.020 . 1 . . . B 104 VAL HA . 19579 1 1142 . 1 1 109 109 VAL HB H 1 1.844 0.020 . 1 . . . B 104 VAL HB . 19579 1 1143 . 1 1 109 109 VAL HG11 H 1 0.677 0.020 . 2 . . . B 104 VAL HG11 . 19579 1 1144 . 1 1 109 109 VAL HG12 H 1 0.677 0.020 . 2 . . . B 104 VAL HG12 . 19579 1 1145 . 1 1 109 109 VAL HG13 H 1 0.677 0.020 . 2 . . . B 104 VAL HG13 . 19579 1 1146 . 1 1 109 109 VAL HG21 H 1 0.430 0.020 . 2 . . . B 104 VAL HG21 . 19579 1 1147 . 1 1 109 109 VAL HG22 H 1 0.430 0.020 . 2 . . . B 104 VAL HG22 . 19579 1 1148 . 1 1 109 109 VAL HG23 H 1 0.430 0.020 . 2 . . . B 104 VAL HG23 . 19579 1 1149 . 1 1 109 109 VAL C C 13 176.045 0.3 . 1 . . . B 104 VAL C . 19579 1 1150 . 1 1 109 109 VAL CA C 13 65.889 0.3 . 1 . . . B 104 VAL CA . 19579 1 1151 . 1 1 109 109 VAL CB C 13 31.265 0.3 . 1 . . . B 104 VAL CB . 19579 1 1152 . 1 1 109 109 VAL CG1 C 13 21.103 0.3 . 1 . . . B 104 VAL CG1 . 19579 1 1153 . 1 1 109 109 VAL CG2 C 13 22.552 0.3 . 1 . . . B 104 VAL CG2 . 19579 1 1154 . 1 1 109 109 VAL N N 15 121.976 0.3 . 1 . . . B 104 VAL N . 19579 1 1155 . 1 1 110 110 ASP H H 1 8.719 0.020 . 1 . . . B 105 ASP H . 19579 1 1156 . 1 1 110 110 ASP HA H 1 4.151 0.020 . 1 . . . B 105 ASP HA . 19579 1 1157 . 1 1 110 110 ASP HB2 H 1 2.611 0.020 . 2 . . . B 105 ASP HB2 . 19579 1 1158 . 1 1 110 110 ASP HB3 H 1 2.667 0.020 . 2 . . . B 105 ASP HB3 . 19579 1 1159 . 1 1 110 110 ASP C C 13 178.406 0.3 . 1 . . . B 105 ASP C . 19579 1 1160 . 1 1 110 110 ASP CA C 13 56.710 0.3 . 1 . . . B 105 ASP CA . 19579 1 1161 . 1 1 110 110 ASP CB C 13 38.652 0.3 . 1 . . . B 105 ASP CB . 19579 1 1162 . 1 1 110 110 ASP N N 15 117.868 0.3 . 1 . . . B 105 ASP N . 19579 1 1163 . 1 1 111 111 SER H H 1 7.685 0.020 . 1 . . . B 106 SER H . 19579 1 1164 . 1 1 111 111 SER HA H 1 4.306 0.020 . 1 . . . B 106 SER HA . 19579 1 1165 . 1 1 111 111 SER HB2 H 1 4.015 0.020 . 1 . . . B 106 SER HB2 . 19579 1 1166 . 1 1 111 111 SER HB3 H 1 4.015 0.020 . 1 . . . B 106 SER HB3 . 19579 1 1167 . 1 1 111 111 SER C C 13 176.784 0.3 . 1 . . . B 106 SER C . 19579 1 1168 . 1 1 111 111 SER CA C 13 61.523 0.3 . 1 . . . B 106 SER CA . 19579 1 1169 . 1 1 111 111 SER CB C 13 62.480 0.3 . 1 . . . B 106 SER CB . 19579 1 1170 . 1 1 111 111 SER N N 15 117.500 0.3 . 1 . . . B 106 SER N . 19579 1 1171 . 1 1 112 112 THR H H 1 8.024 0.020 . 1 . . . B 107 THR H . 19579 1 1172 . 1 1 112 112 THR HA H 1 4.373 0.020 . 1 . . . B 107 THR HA . 19579 1 1173 . 1 1 112 112 THR HB H 1 3.843 0.020 . 1 . . . B 107 THR HB . 19579 1 1174 . 1 1 112 112 THR HG21 H 1 1.326 0.020 . 1 . . . B 107 THR HG21 . 19579 1 1175 . 1 1 112 112 THR HG22 H 1 1.326 0.020 . 1 . . . B 107 THR HG22 . 19579 1 1176 . 1 1 112 112 THR HG23 H 1 1.326 0.020 . 1 . . . B 107 THR HG23 . 19579 1 1177 . 1 1 112 112 THR C C 13 176.227 0.3 . 1 . . . B 107 THR C . 19579 1 1178 . 1 1 112 112 THR CA C 13 66.648 0.3 . 1 . . . B 107 THR CA . 19579 1 1179 . 1 1 112 112 THR CB C 13 66.884 0.3 . 1 . . . B 107 THR CB . 19579 1 1180 . 1 1 112 112 THR CG2 C 13 25.239 0.3 . 1 . . . B 107 THR CG2 . 19579 1 1181 . 1 1 112 112 THR N N 15 121.741 0.3 . 1 . . . B 107 THR N . 19579 1 1182 . 1 1 113 113 LEU H H 1 8.475 0.020 . 1 . . . B 108 LEU H . 19579 1 1183 . 1 1 113 113 LEU HA H 1 3.916 0.020 . 1 . . . B 108 LEU HA . 19579 1 1184 . 1 1 113 113 LEU HB2 H 1 1.894 0.020 . 2 . . . B 108 LEU HB2 . 19579 1 1185 . 1 1 113 113 LEU HB3 H 1 1.389 0.020 . 2 . . . B 108 LEU HB3 . 19579 1 1186 . 1 1 113 113 LEU HG H 1 1.574 0.020 . 1 . . . B 108 LEU HG . 19579 1 1187 . 1 1 113 113 LEU HD11 H 1 0.892 0.020 . 2 . . . B 108 LEU HD11 . 19579 1 1188 . 1 1 113 113 LEU HD12 H 1 0.892 0.020 . 2 . . . B 108 LEU HD12 . 19579 1 1189 . 1 1 113 113 LEU HD13 H 1 0.892 0.020 . 2 . . . B 108 LEU HD13 . 19579 1 1190 . 1 1 113 113 LEU HD21 H 1 1.039 0.020 . 2 . . . B 108 LEU HD21 . 19579 1 1191 . 1 1 113 113 LEU HD22 H 1 1.039 0.020 . 2 . . . B 108 LEU HD22 . 19579 1 1192 . 1 1 113 113 LEU HD23 H 1 1.039 0.020 . 2 . . . B 108 LEU HD23 . 19579 1 1193 . 1 1 113 113 LEU C C 13 178.560 0.3 . 1 . . . B 108 LEU C . 19579 1 1194 . 1 1 113 113 LEU CA C 13 59.169 0.3 . 1 . . . B 108 LEU CA . 19579 1 1195 . 1 1 113 113 LEU CB C 13 41.029 0.3 . 1 . . . B 108 LEU CB . 19579 1 1196 . 1 1 113 113 LEU CG C 13 28.812 0.3 . 1 . . . B 108 LEU CG . 19579 1 1197 . 1 1 113 113 LEU CD1 C 13 25.532 0.3 . 1 . . . B 108 LEU CD1 . 19579 1 1198 . 1 1 113 113 LEU CD2 C 13 23.960 0.3 . 1 . . . B 108 LEU CD2 . 19579 1 1199 . 1 1 113 113 LEU N N 15 122.175 0.3 . 1 . . . B 108 LEU N . 19579 1 1200 . 1 1 114 114 ASN H H 1 7.567 0.020 . 1 . . . B 109 ASN H . 19579 1 1201 . 1 1 114 114 ASN HA H 1 4.486 0.020 . 1 . . . B 109 ASN HA . 19579 1 1202 . 1 1 114 114 ASN HB2 H 1 2.923 0.020 . 1 . . . B 109 ASN HB2 . 19579 1 1203 . 1 1 114 114 ASN HB3 H 1 2.923 0.020 . 1 . . . B 109 ASN HB3 . 19579 1 1204 . 1 1 114 114 ASN HD21 H 1 6.854 0.020 . 1 . . . B 109 ASN HD21 . 19579 1 1205 . 1 1 114 114 ASN HD22 H 1 7.468 0.020 . 1 . . . B 109 ASN HD22 . 19579 1 1206 . 1 1 114 114 ASN C C 13 177.181 0.3 . 1 . . . B 109 ASN C . 19579 1 1207 . 1 1 114 114 ASN CA C 13 56.499 0.3 . 1 . . . B 109 ASN CA . 19579 1 1208 . 1 1 114 114 ASN CB C 13 38.985 0.3 . 1 . . . B 109 ASN CB . 19579 1 1209 . 1 1 114 114 ASN N N 15 116.499 0.3 . 1 . . . B 109 ASN N . 19579 1 1210 . 1 1 114 114 ASN ND2 N 15 111.199 0.3 . 1 . . . B 109 ASN ND2 . 19579 1 1211 . 1 1 115 115 VAL H H 1 7.978 0.020 . 1 . . . B 110 VAL H . 19579 1 1212 . 1 1 115 115 VAL HA H 1 3.877 0.020 . 1 . . . B 110 VAL HA . 19579 1 1213 . 1 1 115 115 VAL HB H 1 2.415 0.020 . 1 . . . B 110 VAL HB . 19579 1 1214 . 1 1 115 115 VAL HG11 H 1 1.108 0.020 . 2 . . . B 110 VAL HG11 . 19579 1 1215 . 1 1 115 115 VAL HG12 H 1 1.108 0.020 . 2 . . . B 110 VAL HG12 . 19579 1 1216 . 1 1 115 115 VAL HG13 H 1 1.108 0.020 . 2 . . . B 110 VAL HG13 . 19579 1 1217 . 1 1 115 115 VAL HG21 H 1 0.969 0.020 . 2 . . . B 110 VAL HG21 . 19579 1 1218 . 1 1 115 115 VAL HG22 H 1 0.969 0.020 . 2 . . . B 110 VAL HG22 . 19579 1 1219 . 1 1 115 115 VAL HG23 H 1 0.969 0.020 . 2 . . . B 110 VAL HG23 . 19579 1 1220 . 1 1 115 115 VAL C C 13 180.116 0.3 . 1 . . . B 110 VAL C . 19579 1 1221 . 1 1 115 115 VAL CA C 13 66.236 0.3 . 1 . . . B 110 VAL CA . 19579 1 1222 . 1 1 115 115 VAL CB C 13 31.560 0.3 . 1 . . . B 110 VAL CB . 19579 1 1223 . 1 1 115 115 VAL CG1 C 13 22.914 0.3 . 1 . . . B 110 VAL CG1 . 19579 1 1224 . 1 1 115 115 VAL CG2 C 13 20.995 0.3 . 1 . . . B 110 VAL CG2 . 19579 1 1225 . 1 1 115 115 VAL N N 15 121.382 0.3 . 1 . . . B 110 VAL N . 19579 1 1226 . 1 1 116 116 VAL H H 1 8.228 0.020 . 1 . . . B 111 VAL H . 19579 1 1227 . 1 1 116 116 VAL HA H 1 3.358 0.020 . 1 . . . B 111 VAL HA . 19579 1 1228 . 1 1 116 116 VAL HB H 1 2.209 0.020 . 1 . . . B 111 VAL HB . 19579 1 1229 . 1 1 116 116 VAL HG11 H 1 0.776 0.020 . 2 . . . B 111 VAL HG11 . 19579 1 1230 . 1 1 116 116 VAL HG12 H 1 0.776 0.020 . 2 . . . B 111 VAL HG12 . 19579 1 1231 . 1 1 116 116 VAL HG13 H 1 0.776 0.020 . 2 . . . B 111 VAL HG13 . 19579 1 1232 . 1 1 116 116 VAL HG21 H 1 0.940 0.020 . 2 . . . B 111 VAL HG21 . 19579 1 1233 . 1 1 116 116 VAL HG22 H 1 0.940 0.020 . 2 . . . B 111 VAL HG22 . 19579 1 1234 . 1 1 116 116 VAL HG23 H 1 0.940 0.020 . 2 . . . B 111 VAL HG23 . 19579 1 1235 . 1 1 116 116 VAL C C 13 177.424 0.3 . 1 . . . B 111 VAL C . 19579 1 1236 . 1 1 116 116 VAL CA C 13 68.182 0.3 . 1 . . . B 111 VAL CA . 19579 1 1237 . 1 1 116 116 VAL CB C 13 31.106 0.3 . 1 . . . B 111 VAL CB . 19579 1 1238 . 1 1 116 116 VAL CG1 C 13 21.595 0.3 . 1 . . . B 111 VAL CG1 . 19579 1 1239 . 1 1 116 116 VAL CG2 C 13 22.940 0.3 . 1 . . . B 111 VAL CG2 . 19579 1 1240 . 1 1 116 116 VAL N N 15 123.748 0.3 . 1 . . . B 111 VAL N . 19579 1 1241 . 1 1 117 117 GLN H H 1 8.719 0.020 . 1 . . . B 112 GLN H . 19579 1 1242 . 1 1 117 117 GLN HA H 1 3.598 0.020 . 1 . . . B 112 GLN HA . 19579 1 1243 . 1 1 117 117 GLN HB2 H 1 2.164 0.020 . 2 . . . B 112 GLN HB2 . 19579 1 1244 . 1 1 117 117 GLN HB3 H 1 2.211 0.020 . 2 . . . B 112 GLN HB3 . 19579 1 1245 . 1 1 117 117 GLN HG2 H 1 2.455 0.020 . 2 . . . B 112 GLN HG2 . 19579 1 1246 . 1 1 117 117 GLN HG3 H 1 2.107 0.020 . 2 . . . B 112 GLN HG3 . 19579 1 1247 . 1 1 117 117 GLN HE21 H 1 7.709 0.020 . 1 . . . B 112 GLN HE21 . 19579 1 1248 . 1 1 117 117 GLN HE22 H 1 7.007 0.020 . 1 . . . B 112 GLN HE22 . 19579 1 1249 . 1 1 117 117 GLN C C 13 178.329 0.3 . 1 . . . B 112 GLN C . 19579 1 1250 . 1 1 117 117 GLN CA C 13 60.309 0.3 . 1 . . . B 112 GLN CA . 19579 1 1251 . 1 1 117 117 GLN CB C 13 30.141 0.3 . 1 . . . B 112 GLN CB . 19579 1 1252 . 1 1 117 117 GLN CG C 13 34.728 0.3 . 1 . . . B 112 GLN CG . 19579 1 1253 . 1 1 117 117 GLN N N 15 120.331 0.3 . 1 . . . B 112 GLN N . 19579 1 1254 . 1 1 117 117 GLN NE2 N 15 112.751 0.3 . 1 . . . B 112 GLN NE2 . 19579 1 1255 . 1 1 118 118 ASP H H 1 8.410 0.020 . 1 . . . B 113 ASP H . 19579 1 1256 . 1 1 118 118 ASP HA H 1 4.350 0.020 . 1 . . . B 113 ASP HA . 19579 1 1257 . 1 1 118 118 ASP HB2 H 1 2.638 0.020 . 2 . . . B 113 ASP HB2 . 19579 1 1258 . 1 1 118 118 ASP HB3 H 1 2.770 0.020 . 2 . . . B 113 ASP HB3 . 19579 1 1259 . 1 1 118 118 ASP C C 13 178.406 0.3 . 1 . . . B 113 ASP C . 19579 1 1260 . 1 1 118 118 ASP CA C 13 57.029 0.3 . 1 . . . B 113 ASP CA . 19579 1 1261 . 1 1 118 118 ASP CB C 13 41.294 0.3 . 1 . . . B 113 ASP CB . 19579 1 1262 . 1 1 118 118 ASP N N 15 117.931 0.3 . 1 . . . B 113 ASP N . 19579 1 1263 . 1 1 119 119 SER H H 1 7.973 0.020 . 1 . . . B 114 SER H . 19579 1 1264 . 1 1 119 119 SER HA H 1 4.310 0.020 . 1 . . . B 114 SER HA . 19579 1 1265 . 1 1 119 119 SER HB2 H 1 3.898 0.020 . 2 . . . B 114 SER HB2 . 19579 1 1266 . 1 1 119 119 SER HB3 H 1 3.675 0.020 . 2 . . . B 114 SER HB3 . 19579 1 1267 . 1 1 119 119 SER C C 13 175.416 0.3 . 1 . . . B 114 SER C . 19579 1 1268 . 1 1 119 119 SER CA C 13 61.981 0.3 . 1 . . . B 114 SER CA . 19579 1 1269 . 1 1 119 119 SER CB C 13 63.618 0.3 . 1 . . . B 114 SER CB . 19579 1 1270 . 1 1 119 119 SER N N 15 113.798 0.3 . 1 . . . B 114 SER N . 19579 1 1271 . 1 1 120 120 VAL H H 1 8.090 0.020 . 1 . . . B 115 VAL H . 19579 1 1272 . 1 1 120 120 VAL HA H 1 4.207 0.020 . 1 . . . B 115 VAL HA . 19579 1 1273 . 1 1 120 120 VAL HB H 1 2.041 0.020 . 1 . . . B 115 VAL HB . 19579 1 1274 . 1 1 120 120 VAL HG11 H 1 0.810 0.020 . 2 . . . B 115 VAL HG11 . 19579 1 1275 . 1 1 120 120 VAL HG12 H 1 0.810 0.020 . 2 . . . B 115 VAL HG12 . 19579 1 1276 . 1 1 120 120 VAL HG13 H 1 0.810 0.020 . 2 . . . B 115 VAL HG13 . 19579 1 1277 . 1 1 120 120 VAL HG21 H 1 0.865 0.020 . 2 . . . B 115 VAL HG21 . 19579 1 1278 . 1 1 120 120 VAL HG22 H 1 0.865 0.020 . 2 . . . B 115 VAL HG22 . 19579 1 1279 . 1 1 120 120 VAL HG23 H 1 0.865 0.020 . 2 . . . B 115 VAL HG23 . 19579 1 1280 . 1 1 120 120 VAL C C 13 177.325 0.3 . 1 . . . B 115 VAL C . 19579 1 1281 . 1 1 120 120 VAL CA C 13 63.264 0.3 . 1 . . . B 115 VAL CA . 19579 1 1282 . 1 1 120 120 VAL CB C 13 32.367 0.3 . 1 . . . B 115 VAL CB . 19579 1 1283 . 1 1 120 120 VAL CG1 C 13 21.260 0.3 . 1 . . . B 115 VAL CG1 . 19579 1 1284 . 1 1 120 120 VAL CG2 C 13 21.256 0.3 . 1 . . . B 115 VAL CG2 . 19579 1 1285 . 1 1 120 120 VAL N N 15 115.306 0.3 . 1 . . . B 115 VAL N . 19579 1 1286 . 1 1 121 121 GLY H H 1 7.991 0.020 . 1 . . . B 116 GLY H . 19579 1 1287 . 1 1 121 121 GLY HA2 H 1 4.070 0.020 . 2 . . . B 116 GLY HA2 . 19579 1 1288 . 1 1 121 121 GLY HA3 H 1 3.653 0.020 . 2 . . . B 116 GLY HA3 . 19579 1 1289 . 1 1 121 121 GLY C C 13 175.129 0.3 . 1 . . . B 116 GLY C . 19579 1 1290 . 1 1 121 121 GLY CA C 13 47.830 0.3 . 1 . . . B 116 GLY CA . 19579 1 1291 . 1 1 121 121 GLY N N 15 107.952 0.3 . 1 . . . B 116 GLY N . 19579 1 1292 . 1 1 122 122 GLN H H 1 7.721 0.020 . 1 . . . B 117 GLN H . 19579 1 1293 . 1 1 122 122 GLN HA H 1 4.053 0.020 . 1 . . . B 117 GLN HA . 19579 1 1294 . 1 1 122 122 GLN HB2 H 1 1.676 0.020 . 2 . . . B 117 GLN HB2 . 19579 1 1295 . 1 1 122 122 GLN HB3 H 1 1.631 0.020 . 2 . . . B 117 GLN HB3 . 19579 1 1296 . 1 1 122 122 GLN HG2 H 1 1.501 0.020 . 2 . . . B 117 GLN HG2 . 19579 1 1297 . 1 1 122 122 GLN HG3 H 1 1.868 0.020 . 2 . . . B 117 GLN HG3 . 19579 1 1298 . 1 1 122 122 GLN HE21 H 1 7.301 0.020 . 1 . . . B 117 GLN HE21 . 19579 1 1299 . 1 1 122 122 GLN HE22 H 1 6.701 0.020 . 1 . . . B 117 GLN HE22 . 19579 1 1300 . 1 1 122 122 GLN C C 13 176.056 0.3 . 1 . . . B 117 GLN C . 19579 1 1301 . 1 1 122 122 GLN CA C 13 57.056 0.3 . 1 . . . B 117 GLN CA . 19579 1 1302 . 1 1 122 122 GLN CB C 13 28.492 0.3 . 1 . . . B 117 GLN CB . 19579 1 1303 . 1 1 122 122 GLN CG C 13 33.101 0.3 . 1 . . . B 117 GLN CG . 19579 1 1304 . 1 1 122 122 GLN N N 15 116.191 0.3 . 1 . . . B 117 GLN N . 19579 1 1305 . 1 1 122 122 GLN NE2 N 15 112.210 0.3 . 1 . . . B 117 GLN NE2 . 19579 1 1306 . 1 1 123 123 TYR H H 1 7.685 0.020 . 1 . . . B 118 TYR H . 19579 1 1307 . 1 1 123 123 TYR HA H 1 4.226 0.020 . 1 . . . B 118 TYR HA . 19579 1 1308 . 1 1 123 123 TYR HB2 H 1 2.417 0.020 . 2 . . . B 118 TYR HB2 . 19579 1 1309 . 1 1 123 123 TYR HB3 H 1 2.840 0.020 . 2 . . . B 118 TYR HB3 . 19579 1 1310 . 1 1 123 123 TYR HD1 H 1 6.457 0.020 . 1 . . . B 118 TYR HD1 . 19579 1 1311 . 1 1 123 123 TYR HD2 H 1 6.457 0.020 . 1 . . . B 118 TYR HD2 . 19579 1 1312 . 1 1 123 123 TYR HE1 H 1 6.512 0.020 . 1 . . . B 118 TYR HE1 . 19579 1 1313 . 1 1 123 123 TYR HE2 H 1 6.512 0.020 . 1 . . . B 118 TYR HE2 . 19579 1 1314 . 1 1 123 123 TYR C C 13 174.919 0.3 . 1 . . . B 118 TYR C . 19579 1 1315 . 1 1 123 123 TYR CA C 13 58.651 0.3 . 1 . . . B 118 TYR CA . 19579 1 1316 . 1 1 123 123 TYR CB C 13 38.991 0.3 . 1 . . . B 118 TYR CB . 19579 1 1317 . 1 1 123 123 TYR CD1 C 13 132.541 0.3 . 1 . . . B 118 TYR CD1 . 19579 1 1318 . 1 1 123 123 TYR CD2 C 13 132.541 0.3 . 1 . . . B 118 TYR CD2 . 19579 1 1319 . 1 1 123 123 TYR CE1 C 13 118.066 0.3 . 1 . . . B 118 TYR CE1 . 19579 1 1320 . 1 1 123 123 TYR CE2 C 13 118.066 0.3 . 1 . . . B 118 TYR CE2 . 19579 1 1321 . 1 1 123 123 TYR N N 15 116.504 0.3 . 1 . . . B 118 TYR N . 19579 1 1322 . 1 1 124 124 VAL H H 1 7.132 0.020 . 1 . . . B 119 VAL H . 19579 1 1323 . 1 1 124 124 VAL HA H 1 4.194 0.020 . 1 . . . B 119 VAL HA . 19579 1 1324 . 1 1 124 124 VAL HB H 1 2.160 0.020 . 1 . . . B 119 VAL HB . 19579 1 1325 . 1 1 124 124 VAL HG11 H 1 0.868 0.020 . 2 . . . B 119 VAL HG11 . 19579 1 1326 . 1 1 124 124 VAL HG12 H 1 0.868 0.020 . 2 . . . B 119 VAL HG12 . 19579 1 1327 . 1 1 124 124 VAL HG13 H 1 0.868 0.020 . 2 . . . B 119 VAL HG13 . 19579 1 1328 . 1 1 124 124 VAL HG21 H 1 0.896 0.020 . 2 . . . B 119 VAL HG21 . 19579 1 1329 . 1 1 124 124 VAL HG22 H 1 0.896 0.020 . 2 . . . B 119 VAL HG22 . 19579 1 1330 . 1 1 124 124 VAL HG23 H 1 0.896 0.020 . 2 . . . B 119 VAL HG23 . 19579 1 1331 . 1 1 124 124 VAL C C 13 174.666 0.3 . 1 . . . B 119 VAL C . 19579 1 1332 . 1 1 124 124 VAL CA C 13 61.962 0.3 . 1 . . . B 119 VAL CA . 19579 1 1333 . 1 1 124 124 VAL CB C 13 32.617 0.3 . 1 . . . B 119 VAL CB . 19579 1 1334 . 1 1 124 124 VAL CG1 C 13 21.922 0.3 . 1 . . . B 119 VAL CG1 . 19579 1 1335 . 1 1 124 124 VAL CG2 C 13 20.301 0.3 . 1 . . . B 119 VAL CG2 . 19579 1 1336 . 1 1 124 124 VAL N N 15 115.145 0.3 . 1 . . . B 119 VAL N . 19579 1 1337 . 1 1 125 125 GLY H H 1 7.782 0.020 . 1 . . . B 120 GLY H . 19579 1 1338 . 1 1 125 125 GLY HA2 H 1 3.679 0.020 . 2 . . . B 120 GLY HA2 . 19579 1 1339 . 1 1 125 125 GLY HA3 H 1 3.755 0.020 . 2 . . . B 120 GLY HA3 . 19579 1 1340 . 1 1 125 125 GLY C C 13 178.605 0.3 . 1 . . . B 120 GLY C . 19579 1 1341 . 1 1 125 125 GLY CA C 13 46.216 0.3 . 1 . . . B 120 GLY CA . 19579 1 1342 . 1 1 125 125 GLY N N 15 116.958 0.3 . 1 . . . B 120 GLY N . 19579 1 stop_ save_