data_25951 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25951 _Entry.Title ; 1H, 13C, and 15N chemical shift assignments of the fucose-bound lectin from Ralstonia solanacearum ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-01-12 _Entry.Accession_date 2016-01-12 _Entry.Last_release_date 2016-02-18 _Entry.Original_release_date 2016-02-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Pawel Antonik . M. . . 25951 2 Nico 'van Nuland' . AJ . . 25951 3 Alexander Volkov . N. . . 25951 4 Peter Crowley . B. . . 25951 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 25951 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 510 25951 '15N chemical shifts' 192 25951 '1H chemical shifts' 220 25951 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-07-20 2016-01-12 update BMRB 'update entry citation' 25951 1 . . 2016-02-18 2016-01-12 original author 'original release' 25951 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25950 RSLman 25951 BMRB 25952 'RSL (free form)' 25951 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25951 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26845253 _Citation.Full_citation . _Citation.Title ; Anomer-Specific Recognition and Dynamics in a Fucose-Binding Lectin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 55 _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 1195 _Citation.Page_last 1203 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Pawel Antonik . M. . . 25951 1 2 Alexander Volkov . N. . . 25951 1 3 Ursula Broder . N. . . 25951 1 4 Daniele Re . L. . . 25951 1 5 Nico 'van Nuland' . AJ . . 25951 1 6 Peter Crowley . B. . . 25951 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Anomer 25951 1 Carbohydrates 25951 1 HSQC 25951 1 Lectin 25951 1 'NMR spectroscopy' 25951 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25951 _Assembly.ID 1 _Assembly.Name RSLfuc _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 RSL 1 $RSL A . yes native no no . . . 25951 1 2 ligand 2 $entity_FUC A . no native no no . . . 25951 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RSL _Entity.Sf_category entity _Entity.Sf_framecode RSL _Entity.Entry_ID 25951 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RSL _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SSVQTAATSWGTVPSIRVYT ANNGKITERCWDGKGWYTGA FNEPGDNVSVTSWLVGSAIH IRVYASTGTTTTEWCWDGNG WTKGAYTATN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 SER . 25951 1 2 2 SER . 25951 1 3 3 VAL . 25951 1 4 4 GLN . 25951 1 5 5 THR . 25951 1 6 6 ALA . 25951 1 7 7 ALA . 25951 1 8 8 THR . 25951 1 9 9 SER . 25951 1 10 10 TRP . 25951 1 11 11 GLY . 25951 1 12 12 THR . 25951 1 13 13 VAL . 25951 1 14 14 PRO . 25951 1 15 15 SER . 25951 1 16 16 ILE . 25951 1 17 17 ARG . 25951 1 18 18 VAL . 25951 1 19 19 TYR . 25951 1 20 20 THR . 25951 1 21 21 ALA . 25951 1 22 22 ASN . 25951 1 23 23 ASN . 25951 1 24 24 GLY . 25951 1 25 25 LYS . 25951 1 26 26 ILE . 25951 1 27 27 THR . 25951 1 28 28 GLU . 25951 1 29 29 ARG . 25951 1 30 30 CYS . 25951 1 31 31 TRP . 25951 1 32 32 ASP . 25951 1 33 33 GLY . 25951 1 34 34 LYS . 25951 1 35 35 GLY . 25951 1 36 36 TRP . 25951 1 37 37 TYR . 25951 1 38 38 THR . 25951 1 39 39 GLY . 25951 1 40 40 ALA . 25951 1 41 41 PHE . 25951 1 42 42 ASN . 25951 1 43 43 GLU . 25951 1 44 44 PRO . 25951 1 45 45 GLY . 25951 1 46 46 ASP . 25951 1 47 47 ASN . 25951 1 48 48 VAL . 25951 1 49 49 SER . 25951 1 50 50 VAL . 25951 1 51 51 THR . 25951 1 52 52 SER . 25951 1 53 53 TRP . 25951 1 54 54 LEU . 25951 1 55 55 VAL . 25951 1 56 56 GLY . 25951 1 57 57 SER . 25951 1 58 58 ALA . 25951 1 59 59 ILE . 25951 1 60 60 HIS . 25951 1 61 61 ILE . 25951 1 62 62 ARG . 25951 1 63 63 VAL . 25951 1 64 64 TYR . 25951 1 65 65 ALA . 25951 1 66 66 SER . 25951 1 67 67 THR . 25951 1 68 68 GLY . 25951 1 69 69 THR . 25951 1 70 70 THR . 25951 1 71 71 THR . 25951 1 72 72 THR . 25951 1 73 73 GLU . 25951 1 74 74 TRP . 25951 1 75 75 CYS . 25951 1 76 76 TRP . 25951 1 77 77 ASP . 25951 1 78 78 GLY . 25951 1 79 79 ASN . 25951 1 80 80 GLY . 25951 1 81 81 TRP . 25951 1 82 82 THR . 25951 1 83 83 LYS . 25951 1 84 84 GLY . 25951 1 85 85 ALA . 25951 1 86 86 TYR . 25951 1 87 87 THR . 25951 1 88 88 ALA . 25951 1 89 89 THR . 25951 1 90 90 ASN . 25951 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 25951 1 . SER 2 2 25951 1 . VAL 3 3 25951 1 . GLN 4 4 25951 1 . THR 5 5 25951 1 . ALA 6 6 25951 1 . ALA 7 7 25951 1 . THR 8 8 25951 1 . SER 9 9 25951 1 . TRP 10 10 25951 1 . GLY 11 11 25951 1 . THR 12 12 25951 1 . VAL 13 13 25951 1 . PRO 14 14 25951 1 . SER 15 15 25951 1 . ILE 16 16 25951 1 . ARG 17 17 25951 1 . VAL 18 18 25951 1 . TYR 19 19 25951 1 . THR 20 20 25951 1 . ALA 21 21 25951 1 . ASN 22 22 25951 1 . ASN 23 23 25951 1 . GLY 24 24 25951 1 . LYS 25 25 25951 1 . ILE 26 26 25951 1 . THR 27 27 25951 1 . GLU 28 28 25951 1 . ARG 29 29 25951 1 . CYS 30 30 25951 1 . TRP 31 31 25951 1 . ASP 32 32 25951 1 . GLY 33 33 25951 1 . LYS 34 34 25951 1 . GLY 35 35 25951 1 . TRP 36 36 25951 1 . TYR 37 37 25951 1 . THR 38 38 25951 1 . GLY 39 39 25951 1 . ALA 40 40 25951 1 . PHE 41 41 25951 1 . ASN 42 42 25951 1 . GLU 43 43 25951 1 . PRO 44 44 25951 1 . GLY 45 45 25951 1 . ASP 46 46 25951 1 . ASN 47 47 25951 1 . VAL 48 48 25951 1 . SER 49 49 25951 1 . VAL 50 50 25951 1 . THR 51 51 25951 1 . SER 52 52 25951 1 . TRP 53 53 25951 1 . LEU 54 54 25951 1 . VAL 55 55 25951 1 . GLY 56 56 25951 1 . SER 57 57 25951 1 . ALA 58 58 25951 1 . ILE 59 59 25951 1 . HIS 60 60 25951 1 . ILE 61 61 25951 1 . ARG 62 62 25951 1 . VAL 63 63 25951 1 . TYR 64 64 25951 1 . ALA 65 65 25951 1 . SER 66 66 25951 1 . THR 67 67 25951 1 . GLY 68 68 25951 1 . THR 69 69 25951 1 . THR 70 70 25951 1 . THR 71 71 25951 1 . THR 72 72 25951 1 . GLU 73 73 25951 1 . TRP 74 74 25951 1 . CYS 75 75 25951 1 . TRP 76 76 25951 1 . ASP 77 77 25951 1 . GLY 78 78 25951 1 . ASN 79 79 25951 1 . GLY 80 80 25951 1 . TRP 81 81 25951 1 . THR 82 82 25951 1 . LYS 83 83 25951 1 . GLY 84 84 25951 1 . ALA 85 85 25951 1 . TYR 86 86 25951 1 . THR 87 87 25951 1 . ALA 88 88 25951 1 . THR 89 89 25951 1 . ASN 90 90 25951 1 stop_ save_ save_entity_FUC _Entity.Sf_category entity _Entity.Sf_framecode entity_FUC _Entity.Entry_ID 25951 _Entity.ID 8846 _Entity.BMRB_code FUC _Entity.Name ALPHA-L-FUCOSE _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 164.156 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ALPHA-L-FUCOSE BMRB 25951 8846 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID ALPHA-L-FUCOSE BMRB 25951 8846 FUC 'Three letter code' 25951 8846 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 1 FUC $chem_comp_FUC 25951 8846 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 25951 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $RSL . 305 organism . 'Ralstonia solanacearum' b-proteobacteria . . Bacteria . Ralstonia solanacearum . . . . . . . . . . . . . 25951 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 25951 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $RSL . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET . . . 25951 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_FUC _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_FUC _Chem_comp.Entry_ID 25951 _Chem_comp.ID FUC _Chem_comp.Provenance PDB _Chem_comp.Name ALPHA-L-FUCOSE _Chem_comp.Type SACCHARIDE _Chem_comp.BMRB_code FUC _Chem_comp.PDB_code FUC _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code FUC _Chem_comp.Number_atoms_all 23 _Chem_comp.Number_atoms_nh 11 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C6 H12 O5' _Chem_comp.Formula_weight 164.156 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1AX0 _Chem_comp.Processing_site PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC1C(C(C(C(O1)O)O)O)O SMILES 'OpenEye OEToolkits' 1.5.0 25951 FUC C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O SMILES_CANONICAL CACTVS 3.341 25951 FUC C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25951 FUC C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O SMILES CACTVS 3.341 25951 FUC InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1 InChI InChI 1.03 25951 FUC OC1C(O)C(OC(O)C1O)C SMILES ACDLabs 10.04 25951 FUC SHZGCJCMOBCMKK-SXUWKVJYSA-N InChIKey InChI 1.03 25951 FUC stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID (2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25951 FUC 6-deoxy-alpha-L-galactopyranose 'SYSTEMATIC NAME' ACDLabs 10.04 25951 FUC stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 C1 C1 C1 . C . . R 0 . . . 1 no no . . . . -7.415 . -4.708 . 4.071 . 1.410 0.468 -0.410 1 . 25951 FUC C2 C2 C2 C2 . C . . S 0 . . . 1 no no . . . . -7.978 . -3.315 . 4.329 . 0.120 0.513 -1.233 2 . 25951 FUC C3 C3 C3 C3 . C . . R 0 . . . 1 no no . . . . -8.027 . -2.528 . 3.024 . -0.831 -0.576 -0.728 3 . 25951 FUC C4 C4 C4 C4 . C . . S 0 . . . 1 no no . . . . -8.835 . -3.301 . 1.987 . -1.016 -0.402 0.783 4 . 25951 FUC C5 C5 C5 C5 . C . . S 0 . . . 1 no no . . . . -8.262 . -4.708 . 1.820 . 0.359 -0.379 1.454 5 . 25951 FUC C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . -9.101 . -5.570 . 0.898 . 0.185 -0.241 2.967 6 . 25951 FUC O1 O1 O1 O1 . O . . N 0 . . . 1 no yes . . . . -6.071 . -4.612 . 3.693 . 2.007 -0.823 -0.535 7 . 25951 FUC O2 O2 O2 O2 . O . . N 0 . . . 1 no no . . . . -7.160 . -2.636 . 5.269 . 0.424 0.284 -2.610 8 . 25951 FUC O3 O3 O3 O3 . O . . N 0 . . . 1 no no . . . . -8.624 . -1.259 . 3.250 . -2.094 -0.452 -1.385 9 . 25951 FUC O4 O4 O4 O4 . O . . N 0 . . . 1 no no . . . . -10.192 . -3.382 . 2.400 . -1.700 0.824 1.044 10 . 25951 FUC O5 O5 O5 O5 . O . . N 0 . . . 1 no no . . . . -8.205 . -5.378 . 3.096 . 1.116 0.724 0.961 11 . 25951 FUC H1 H1 H1 H1 . H . . N 0 . . . 1 no no . . . . -7.457 . -5.315 . 5.005 . 2.101 1.225 -0.780 12 . 25951 FUC H2 H2 H2 H2 . H . . N 0 . . . 1 no no . . . . -9.010 . -3.406 . 4.739 . -0.350 1.489 -1.121 13 . 25951 FUC H3 H3 H3 H3 . H . . N 0 . . . 1 no no . . . . -6.988 . -2.381 . 2.645 . -0.406 -1.558 -0.935 14 . 25951 FUC H4 H4 H4 H4 . H . . N 0 . . . 1 no no . . . . -8.777 . -2.767 . 1.009 . -1.598 -1.235 1.178 15 . 25951 FUC H5 H5 H5 H5 . H . . N 0 . . . 1 no no . . . . -7.245 . -4.579 . 1.379 . 0.886 -1.307 1.232 16 . 25951 FUC H61 H61 H61 1H6 . H . . N 0 . . . 1 no no . . . . -8.683 . -6.596 . 0.776 . 1.164 -0.226 3.446 17 . 25951 FUC H62 H62 H62 2H6 . H . . N 0 . . . 1 no no . . . . -10.162 . -5.606 . 1.238 . -0.341 0.686 3.190 18 . 25951 FUC H63 H63 H63 3H6 . H . . N 0 . . . 1 no no . . . . -9.246 . -5.076 . -0.090 . -0.391 -1.085 3.345 19 . 25951 FUC HO1 HO1 HO1 HO1 . H . . N 0 . . . 1 no no . . . . -5.720 . -5.480 . 3.532 . 2.818 -0.808 -0.008 20 . 25951 FUC HO2 HO2 HO2 HO2 . H . . N 0 . . . 1 no no . . . . -7.510 . -1.767 . 5.429 . 1.029 0.986 -2.884 21 . 25951 FUC HO3 HO3 HO3 HO3 . H . . N 0 . . . 1 no no . . . . -8.654 . -0.768 . 2.436 . -1.928 -0.555 -2.332 22 . 25951 FUC HO4 HO4 HO4 HO4 . H . . N 0 . . . 1 no no . . . . -10.695 . -3.863 . 1.754 . -1.794 0.893 2.004 23 . 25951 FUC stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C1 C2 no N 1 . 25951 FUC 2 . SING C1 O1 no N 2 . 25951 FUC 3 . SING C1 O5 no N 3 . 25951 FUC 4 . SING C1 H1 no N 4 . 25951 FUC 5 . SING C2 C3 no N 5 . 25951 FUC 6 . SING C2 O2 no N 6 . 25951 FUC 7 . SING C2 H2 no N 7 . 25951 FUC 8 . SING C3 C4 no N 8 . 25951 FUC 9 . SING C3 O3 no N 9 . 25951 FUC 10 . SING C3 H3 no N 10 . 25951 FUC 11 . SING C4 C5 no N 11 . 25951 FUC 12 . SING C4 O4 no N 12 . 25951 FUC 13 . SING C4 H4 no N 13 . 25951 FUC 14 . SING C5 C6 no N 14 . 25951 FUC 15 . SING C5 O5 no N 15 . 25951 FUC 16 . SING C5 H5 no N 16 . 25951 FUC 17 . SING C6 H61 no N 17 . 25951 FUC 18 . SING C6 H62 no N 18 . 25951 FUC 19 . SING C6 H63 no N 19 . 25951 FUC 20 . SING O1 HO1 no N 20 . 25951 FUC 21 . SING O2 HO2 no N 21 . 25951 FUC 22 . SING O3 HO3 no N 22 . 25951 FUC 23 . SING O4 HO4 no N 23 . 25951 FUC stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25951 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RSL '[U-100% 13C; U-100% 15N]' . . 1 $RSL . . 2 . . mM . . . . 25951 1 2 fucose 'natural abundance' . . . . . . 24 . . mM . . . . 25951 1 3 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25951 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25951 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25951 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25951 1 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 25951 _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' 68 . mM 25951 1 pH 6.1 . pH 25951 1 pressure 1 . atm 25951 1 temperature 303 . K 25951 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 25951 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 25951 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25951 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25951 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25951 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25951 2 stop_ save_ save_CCPN _Software.Sf_category software _Software.Sf_framecode CCPN _Software.Entry_ID 25951 _Software.ID 3 _Software.Name CCPN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Vranken et al.' . . 25951 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25951 3 'data analysis' 25951 3 'peak picking' 25951 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25951 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Uniform NMR System' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25951 _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 'Uniform NMR System' . 800 . . . 25951 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 25951 _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 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25951 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25951 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25951 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25951 1 5 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25951 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25951 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25951 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25951 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25951 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25951 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25951 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 25951 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25951 1 2 '3D HNCACB' . . . 25951 1 3 '3D CBCA(CO)NH' . . . 25951 1 4 '3D HNCO' . . . 25951 1 5 '2D (HB)CB(CGCD)HD' . . . 25951 1 6 '3D 1H-15N NOESY' . . . 25951 1 7 '3D 1H-13C NOESY' . . . 25951 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 2 2 SER C C 13 174.21405 0.4 . . . . . . 2 SER C . 25951 1 2 . 1 1 2 2 SER CA C 13 58.29677 0.4 . . . . . . 2 SER CA . 25951 1 3 . 1 1 2 2 SER CB C 13 65.52233 0.4 . . . . . . 2 SER CB . 25951 1 4 . 1 1 3 3 VAL H H 1 7.93119 0.04 . . . . . . 3 VAL H . 25951 1 5 . 1 1 3 3 VAL C C 13 173.57258 0.4 . . . . . . 3 VAL C . 25951 1 6 . 1 1 3 3 VAL CA C 13 61.874085 0.4 . . . . . . 3 VAL CA . 25951 1 7 . 1 1 3 3 VAL CB C 13 32.624265 0.4 . . . . . . 3 VAL CB . 25951 1 8 . 1 1 3 3 VAL N N 15 115.84733 0.2 . . . . . . 3 VAL N . 25951 1 9 . 1 1 4 4 GLN H H 1 7.57851 0.04 . . . . . . 4 GLN H . 25951 1 10 . 1 1 4 4 GLN HE21 H 1 6.96512 0.04 . . . . . . 4 GLN HE21 . 25951 1 11 . 1 1 4 4 GLN HE22 H 1 7.56873 0.04 . . . . . . 4 GLN HE22 . 25951 1 12 . 1 1 4 4 GLN C C 13 175.39242 0.4 . . . . . . 4 GLN C . 25951 1 13 . 1 1 4 4 GLN CA C 13 54.76612 0.4 . . . . . . 4 GLN CA . 25951 1 14 . 1 1 4 4 GLN CB C 13 31.25939 0.4 . . . . . . 4 GLN CB . 25951 1 15 . 1 1 4 4 GLN CG C 13 33.6961 0.4 . . . . . . 4 GLN CG . 25951 1 16 . 1 1 4 4 GLN CD C 13 179.0547 0.4 . . . . . . 4 GLN CD . 25951 1 17 . 1 1 4 4 GLN N N 15 120.42966 0.2 . . . . . . 4 GLN N . 25951 1 18 . 1 1 4 4 GLN NE2 N 15 111.42749 0.2 . . . . . . 4 GLN NE2 . 25951 1 19 . 1 1 5 5 THR H H 1 8.08145 0.04 . . . . . . 5 THR H . 25951 1 20 . 1 1 5 5 THR C C 13 174.05261 0.4 . . . . . . 5 THR C . 25951 1 21 . 1 1 5 5 THR CA C 13 59.4177 0.4 . . . . . . 5 THR CA . 25951 1 22 . 1 1 5 5 THR CB C 13 73.670505 0.4 . . . . . . 5 THR CB . 25951 1 23 . 1 1 5 5 THR N N 15 112.06967 0.2 . . . . . . 5 THR N . 25951 1 24 . 1 1 6 6 ALA H H 1 8.85983 0.04 . . . . . . 6 ALA H . 25951 1 25 . 1 1 6 6 ALA C C 13 174.17316 0.4 . . . . . . 6 ALA C . 25951 1 26 . 1 1 6 6 ALA CA C 13 51.791015 0.4 . . . . . . 6 ALA CA . 25951 1 27 . 1 1 6 6 ALA CB C 13 24.46949 0.4 . . . . . . 6 ALA CB . 25951 1 28 . 1 1 6 6 ALA N N 15 121.10028 0.2 . . . . . . 6 ALA N . 25951 1 29 . 1 1 7 7 ALA H H 1 8.97037 0.04 . . . . . . 7 ALA H . 25951 1 30 . 1 1 7 7 ALA C C 13 175.90805 0.4 . . . . . . 7 ALA C . 25951 1 31 . 1 1 7 7 ALA CA C 13 51.092 0.4 . . . . . . 7 ALA CA . 25951 1 32 . 1 1 7 7 ALA CB C 13 23.664615 0.4 . . . . . . 7 ALA CB . 25951 1 33 . 1 1 7 7 ALA N N 15 123.26726 0.2 . . . . . . 7 ALA N . 25951 1 34 . 1 1 8 8 THR H H 1 8.94055 0.04 . . . . . . 8 THR H . 25951 1 35 . 1 1 8 8 THR C C 13 170.24827 0.4 . . . . . . 8 THR C . 25951 1 36 . 1 1 8 8 THR CA C 13 60.4863 0.4 . . . . . . 8 THR CA . 25951 1 37 . 1 1 8 8 THR CB C 13 70.27394 0.4 . . . . . . 8 THR CB . 25951 1 38 . 1 1 8 8 THR N N 15 114.37601 0.2 . . . . . . 8 THR N . 25951 1 39 . 1 1 9 9 SER H H 1 8.21 0.04 . . . . . . 9 SER H . 25951 1 40 . 1 1 9 9 SER C C 13 173.67477 0.4 . . . . . . 9 SER C . 25951 1 41 . 1 1 9 9 SER CA C 13 57.410885 0.4 . . . . . . 9 SER CA . 25951 1 42 . 1 1 9 9 SER CB C 13 67.55487 0.4 . . . . . . 9 SER CB . 25951 1 43 . 1 1 9 9 SER N N 15 117.26074 0.2 . . . . . . 9 SER N . 25951 1 44 . 1 1 10 10 TRP H H 1 8.42879 0.04 . . . . . . 10 TRP H . 25951 1 45 . 1 1 10 10 TRP HD1 H 1 7.0294 0.04 . . . . . . 10 TRP HD1 . 25951 1 46 . 1 1 10 10 TRP HE1 H 1 10.08349 0.04 . . . . . . 10 TRP HE1 . 25951 1 47 . 1 1 10 10 TRP C C 13 174.94861 0.4 . . . . . . 10 TRP C . 25951 1 48 . 1 1 10 10 TRP CA C 13 57.573135 0.4 . . . . . . 10 TRP CA . 25951 1 49 . 1 1 10 10 TRP CB C 13 32.242705 0.4 . . . . . . 10 TRP CB . 25951 1 50 . 1 1 10 10 TRP N N 15 116.14275 0.2 . . . . . . 10 TRP N . 25951 1 51 . 1 1 10 10 TRP NE1 N 15 129.53141 0.2 . . . . . . 10 TRP NE1 . 25951 1 52 . 1 1 11 11 GLY H H 1 8.89282 0.04 . . . . . . 11 GLY H . 25951 1 53 . 1 1 11 11 GLY C C 13 173.43268 0.4 . . . . . . 11 GLY C . 25951 1 54 . 1 1 11 11 GLY CA C 13 44.714805 0.4 . . . . . . 11 GLY CA . 25951 1 55 . 1 1 11 11 GLY N N 15 106.17737 0.2 . . . . . . 11 GLY N . 25951 1 56 . 1 1 12 12 THR H H 1 8.17528 0.04 . . . . . . 12 THR H . 25951 1 57 . 1 1 12 12 THR C C 13 175.39653 0.4 . . . . . . 12 THR C . 25951 1 58 . 1 1 12 12 THR CA C 13 61.382625 0.4 . . . . . . 12 THR CA . 25951 1 59 . 1 1 12 12 THR CB C 13 69.80408 0.4 . . . . . . 12 THR CB . 25951 1 60 . 1 1 12 12 THR N N 15 105.31212 0.2 . . . . . . 12 THR N . 25951 1 61 . 1 1 13 13 VAL H H 1 7.97454 0.04 . . . . . . 13 VAL H . 25951 1 62 . 1 1 13 13 VAL CA C 13 67.94362 0.4 . . . . . . 13 VAL CA . 25951 1 63 . 1 1 13 13 VAL CB C 13 29.8551 0.4 . . . . . . 13 VAL CB . 25951 1 64 . 1 1 13 13 VAL N N 15 123.84628 0.2 . . . . . . 13 VAL N . 25951 1 65 . 1 1 14 14 PRO C C 13 174.92091 0.4 . . . . . . 14 PRO C . 25951 1 66 . 1 1 14 14 PRO CA C 13 62.35426 0.4 . . . . . . 14 PRO CA . 25951 1 67 . 1 1 14 14 PRO CB C 13 32.65594 0.4 . . . . . . 14 PRO CB . 25951 1 68 . 1 1 15 15 SER H H 1 6.99107 0.04 . . . . . . 15 SER H . 25951 1 69 . 1 1 15 15 SER C C 13 173.35345 0.4 . . . . . . 15 SER C . 25951 1 70 . 1 1 15 15 SER CA C 13 58.88457 0.4 . . . . . . 15 SER CA . 25951 1 71 . 1 1 15 15 SER CB C 13 64.218405 0.4 . . . . . . 15 SER CB . 25951 1 72 . 1 1 15 15 SER N N 15 109.9285 0.2 . . . . . . 15 SER N . 25951 1 73 . 1 1 16 16 ILE H H 1 8.73346 0.04 . . . . . . 16 ILE H . 25951 1 74 . 1 1 16 16 ILE C C 13 177.47192 0.4 . . . . . . 16 ILE C . 25951 1 75 . 1 1 16 16 ILE CA C 13 59.86008 0.4 . . . . . . 16 ILE CA . 25951 1 76 . 1 1 16 16 ILE CB C 13 42.42191 0.4 . . . . . . 16 ILE CB . 25951 1 77 . 1 1 16 16 ILE N N 15 118.15506 0.2 . . . . . . 16 ILE N . 25951 1 78 . 1 1 17 17 ARG H H 1 8.89865 0.04 . . . . . . 17 ARG H . 25951 1 79 . 1 1 17 17 ARG C C 13 173.84129 0.4 . . . . . . 17 ARG C . 25951 1 80 . 1 1 17 17 ARG CA C 13 53.78391 0.4 . . . . . . 17 ARG CA . 25951 1 81 . 1 1 17 17 ARG CB C 13 34.260905 0.4 . . . . . . 17 ARG CB . 25951 1 82 . 1 1 17 17 ARG N N 15 128.38416 0.2 . . . . . . 17 ARG N . 25951 1 83 . 1 1 18 18 VAL H H 1 8.67288 0.04 . . . . . . 18 VAL H . 25951 1 84 . 1 1 18 18 VAL C C 13 175.86866 0.4 . . . . . . 18 VAL C . 25951 1 85 . 1 1 18 18 VAL CA C 13 60.917615 0.4 . . . . . . 18 VAL CA . 25951 1 86 . 1 1 18 18 VAL CB C 13 34.47362 0.4 . . . . . . 18 VAL CB . 25951 1 87 . 1 1 18 18 VAL N N 15 121.2155 0.2 . . . . . . 18 VAL N . 25951 1 88 . 1 1 19 19 TYR H H 1 9.6945 0.04 . . . . . . 19 TYR H . 25951 1 89 . 1 1 19 19 TYR C C 13 174.85991 0.4 . . . . . . 19 TYR C . 25951 1 90 . 1 1 19 19 TYR CA C 13 56.96311 0.4 . . . . . . 19 TYR CA . 25951 1 91 . 1 1 19 19 TYR CB C 13 41.21625 0.4 . . . . . . 19 TYR CB . 25951 1 92 . 1 1 19 19 TYR N N 15 132.45551 0.2 . . . . . . 19 TYR N . 25951 1 93 . 1 1 20 20 THR H H 1 8.74473 0.04 . . . . . . 20 THR H . 25951 1 94 . 1 1 20 20 THR C C 13 172.8062 0.4 . . . . . . 20 THR C . 25951 1 95 . 1 1 20 20 THR CA C 13 61.68559 0.4 . . . . . . 20 THR CA . 25951 1 96 . 1 1 20 20 THR CB C 13 70.968375 0.4 . . . . . . 20 THR CB . 25951 1 97 . 1 1 20 20 THR N N 15 117.44834 0.2 . . . . . . 20 THR N . 25951 1 98 . 1 1 21 21 ALA H H 1 9.49795 0.04 . . . . . . 21 ALA H . 25951 1 99 . 1 1 21 21 ALA C C 13 176.16504 0.4 . . . . . . 21 ALA C . 25951 1 100 . 1 1 21 21 ALA CA C 13 50.840035 0.4 . . . . . . 21 ALA CA . 25951 1 101 . 1 1 21 21 ALA CB C 13 19.426635 0.4 . . . . . . 21 ALA CB . 25951 1 102 . 1 1 21 21 ALA N N 15 131.80864 0.2 . . . . . . 21 ALA N . 25951 1 103 . 1 1 22 22 ASN H H 1 8.97177 0.04 . . . . . . 22 ASN H . 25951 1 104 . 1 1 22 22 ASN HD21 H 1 6.5192 0.04 . . . . . . 22 ASN HD21 . 25951 1 105 . 1 1 22 22 ASN HD22 H 1 7.49105 0.04 . . . . . . 22 ASN HD22 . 25951 1 106 . 1 1 22 22 ASN C C 13 175.25589 0.4 . . . . . . 22 ASN C . 25951 1 107 . 1 1 22 22 ASN CA C 13 52.518325 0.4 . . . . . . 22 ASN CA . 25951 1 108 . 1 1 22 22 ASN CB C 13 41.1865 0.4 . . . . . . 22 ASN CB . 25951 1 109 . 1 1 22 22 ASN N N 15 121.88943 0.2 . . . . . . 22 ASN N . 25951 1 110 . 1 1 22 22 ASN ND2 N 15 109.940065 0.2 . . . . . . 22 ASN ND2 . 25951 1 111 . 1 1 23 23 ASN H H 1 9.27484 0.04 . . . . . . 23 ASN H . 25951 1 112 . 1 1 23 23 ASN HD21 H 1 6.73439 0.04 . . . . . . 23 ASN HD21 . 25951 1 113 . 1 1 23 23 ASN HD22 H 1 7.49767 0.04 . . . . . . 23 ASN HD22 . 25951 1 114 . 1 1 23 23 ASN C C 13 175.22322 0.4 . . . . . . 23 ASN C . 25951 1 115 . 1 1 23 23 ASN CA C 13 54.237555 0.4 . . . . . . 23 ASN CA . 25951 1 116 . 1 1 23 23 ASN CB C 13 37.32662 0.4 . . . . . . 23 ASN CB . 25951 1 117 . 1 1 23 23 ASN CG C 13 178.1672 0.4 . . . . . . 23 ASN CG . 25951 1 118 . 1 1 23 23 ASN N N 15 125.44937 0.2 . . . . . . 23 ASN N . 25951 1 119 . 1 1 23 23 ASN ND2 N 15 112.22004 0.2 . . . . . . 23 ASN ND2 . 25951 1 120 . 1 1 24 24 GLY H H 1 8.87119 0.04 . . . . . . 24 GLY H . 25951 1 121 . 1 1 24 24 GLY C C 13 175.33591 0.4 . . . . . . 24 GLY C . 25951 1 122 . 1 1 24 24 GLY CA C 13 45.8018 0.4 . . . . . . 24 GLY CA . 25951 1 123 . 1 1 24 24 GLY N N 15 104.10181 0.2 . . . . . . 24 GLY N . 25951 1 124 . 1 1 25 25 LYS H H 1 7.79946 0.04 . . . . . . 25 LYS H . 25951 1 125 . 1 1 25 25 LYS C C 13 174.09504 0.4 . . . . . . 25 LYS C . 25951 1 126 . 1 1 25 25 LYS CA C 13 55.137655 0.4 . . . . . . 25 LYS CA . 25951 1 127 . 1 1 25 25 LYS CB C 13 35.71808 0.4 . . . . . . 25 LYS CB . 25951 1 128 . 1 1 25 25 LYS N N 15 122.77949 0.2 . . . . . . 25 LYS N . 25951 1 129 . 1 1 26 26 ILE H H 1 8.91209 0.04 . . . . . . 26 ILE H . 25951 1 130 . 1 1 26 26 ILE C C 13 175.48371 0.4 . . . . . . 26 ILE C . 25951 1 131 . 1 1 26 26 ILE CA C 13 59.463795 0.4 . . . . . . 26 ILE CA . 25951 1 132 . 1 1 26 26 ILE CB C 13 39.378935 0.4 . . . . . . 26 ILE CB . 25951 1 133 . 1 1 26 26 ILE N N 15 123.78115 0.2 . . . . . . 26 ILE N . 25951 1 134 . 1 1 27 27 THR H H 1 8.22408 0.04 . . . . . . 27 THR H . 25951 1 135 . 1 1 27 27 THR C C 13 172.97246 0.4 . . . . . . 27 THR C . 25951 1 136 . 1 1 27 27 THR CA C 13 60.135375 0.4 . . . . . . 27 THR CA . 25951 1 137 . 1 1 27 27 THR CB C 13 71.65985 0.4 . . . . . . 27 THR CB . 25951 1 138 . 1 1 27 27 THR N N 15 115.23835 0.2 . . . . . . 27 THR N . 25951 1 139 . 1 1 28 28 GLU H H 1 8.78865 0.04 . . . . . . 28 GLU H . 25951 1 140 . 1 1 28 28 GLU C C 13 175.55111 0.4 . . . . . . 28 GLU C . 25951 1 141 . 1 1 28 28 GLU CA C 13 54.95534 0.4 . . . . . . 28 GLU CA . 25951 1 142 . 1 1 28 28 GLU CB C 13 37.61927 0.4 . . . . . . 28 GLU CB . 25951 1 143 . 1 1 28 28 GLU N N 15 123.21587 0.2 . . . . . . 28 GLU N . 25951 1 144 . 1 1 29 29 ARG H H 1 8.92626 0.04 . . . . . . 29 ARG H . 25951 1 145 . 1 1 29 29 ARG C C 13 175.50731 0.4 . . . . . . 29 ARG C . 25951 1 146 . 1 1 29 29 ARG CA C 13 52.841895 0.4 . . . . . . 29 ARG CA . 25951 1 147 . 1 1 29 29 ARG CB C 13 33.50288 0.4 . . . . . . 29 ARG CB . 25951 1 148 . 1 1 29 29 ARG N N 15 127.49058 0.2 . . . . . . 29 ARG N . 25951 1 149 . 1 1 30 30 CYS H H 1 9.21254 0.04 . . . . . . 30 CYS H . 25951 1 150 . 1 1 30 30 CYS C C 13 171.12347 0.4 . . . . . . 30 CYS C . 25951 1 151 . 1 1 30 30 CYS CA C 13 56.27487 0.4 . . . . . . 30 CYS CA . 25951 1 152 . 1 1 30 30 CYS CB C 13 30.37623 0.4 . . . . . . 30 CYS CB . 25951 1 153 . 1 1 30 30 CYS N N 15 119.29813 0.2 . . . . . . 30 CYS N . 25951 1 154 . 1 1 31 31 TRP H H 1 8.06896 0.04 . . . . . . 31 TRP H . 25951 1 155 . 1 1 31 31 TRP HD1 H 1 7.0553 0.04 . . . . . . 31 TRP HD1 . 25951 1 156 . 1 1 31 31 TRP HE1 H 1 10.50403 0.04 . . . . . . 31 TRP HE1 . 25951 1 157 . 1 1 31 31 TRP C C 13 175.02804 0.4 . . . . . . 31 TRP C . 25951 1 158 . 1 1 31 31 TRP CA C 13 56.39333 0.4 . . . . . . 31 TRP CA . 25951 1 159 . 1 1 31 31 TRP CB C 13 30.13767 0.4 . . . . . . 31 TRP CB . 25951 1 160 . 1 1 31 31 TRP N N 15 122.06693 0.2 . . . . . . 31 TRP N . 25951 1 161 . 1 1 31 31 TRP NE1 N 15 130.35609 0.2 . . . . . . 31 TRP NE1 . 25951 1 162 . 1 1 32 32 ASP H H 1 8.73307 0.04 . . . . . . 32 ASP H . 25951 1 163 . 1 1 32 32 ASP CA C 13 52.92336 0.4 . . . . . . 32 ASP CA . 25951 1 164 . 1 1 32 32 ASP CB C 13 42.8374 0.4 . . . . . . 32 ASP CB . 25951 1 165 . 1 1 32 32 ASP N N 15 126.68675 0.2 . . . . . . 32 ASP N . 25951 1 166 . 1 1 33 33 GLY C C 13 174.23477 0.4 . . . . . . 33 GLY C . 25951 1 167 . 1 1 33 33 GLY CA C 13 45.49908 0.4 . . . . . . 33 GLY CA . 25951 1 168 . 1 1 34 34 LYS H H 1 7.45137 0.04 . . . . . . 34 LYS H . 25951 1 169 . 1 1 34 34 LYS CA C 13 54.7232 0.4 . . . . . . 34 LYS CA . 25951 1 170 . 1 1 34 34 LYS CB C 13 33.17958 0.4 . . . . . . 34 LYS CB . 25951 1 171 . 1 1 34 34 LYS N N 15 119.45455 0.2 . . . . . . 34 LYS N . 25951 1 172 . 1 1 35 35 GLY C C 13 173.64024 0.4 . . . . . . 35 GLY C . 25951 1 173 . 1 1 35 35 GLY CA C 13 44.24326 0.4 . . . . . . 35 GLY CA . 25951 1 174 . 1 1 36 36 TRP H H 1 8.81941 0.04 . . . . . . 36 TRP H . 25951 1 175 . 1 1 36 36 TRP HD1 H 1 7.2848 0.04 . . . . . . 36 TRP HD1 . 25951 1 176 . 1 1 36 36 TRP HE1 H 1 11.3811 0.04 . . . . . . 36 TRP HE1 . 25951 1 177 . 1 1 36 36 TRP C C 13 177.4324 0.4 . . . . . . 36 TRP C . 25951 1 178 . 1 1 36 36 TRP CA C 13 57.74826 0.4 . . . . . . 36 TRP CA . 25951 1 179 . 1 1 36 36 TRP CB C 13 30.107175 0.4 . . . . . . 36 TRP CB . 25951 1 180 . 1 1 36 36 TRP N N 15 122.51691 0.2 . . . . . . 36 TRP N . 25951 1 181 . 1 1 36 36 TRP NE1 N 15 133.14686 0.2 . . . . . . 36 TRP NE1 . 25951 1 182 . 1 1 37 37 TYR H H 1 9.37433 0.04 . . . . . . 37 TYR H . 25951 1 183 . 1 1 37 37 TYR C C 13 174.53456 0.4 . . . . . . 37 TYR C . 25951 1 184 . 1 1 37 37 TYR CA C 13 56.12631 0.4 . . . . . . 37 TYR CA . 25951 1 185 . 1 1 37 37 TYR CB C 13 40.98296 0.4 . . . . . . 37 TYR CB . 25951 1 186 . 1 1 37 37 TYR N N 15 119.37148 0.2 . . . . . . 37 TYR N . 25951 1 187 . 1 1 38 38 THR H H 1 9.32761 0.04 . . . . . . 38 THR H . 25951 1 188 . 1 1 38 38 THR C C 13 174.77411 0.4 . . . . . . 38 THR C . 25951 1 189 . 1 1 38 38 THR CA C 13 64.31437 0.4 . . . . . . 38 THR CA . 25951 1 190 . 1 1 38 38 THR CB C 13 69.110005 0.4 . . . . . . 38 THR CB . 25951 1 191 . 1 1 38 38 THR N N 15 121.70359 0.2 . . . . . . 38 THR N . 25951 1 192 . 1 1 39 39 GLY H H 1 8.67523 0.04 . . . . . . 39 GLY H . 25951 1 193 . 1 1 39 39 GLY C C 13 174.26817 0.4 . . . . . . 39 GLY C . 25951 1 194 . 1 1 39 39 GLY CA C 13 44.74098 0.4 . . . . . . 39 GLY CA . 25951 1 195 . 1 1 39 39 GLY N N 15 116.56343 0.2 . . . . . . 39 GLY N . 25951 1 196 . 1 1 40 40 ALA H H 1 8.8818 0.04 . . . . . . 40 ALA H . 25951 1 197 . 1 1 40 40 ALA C C 13 178.62739 0.4 . . . . . . 40 ALA C . 25951 1 198 . 1 1 40 40 ALA CA C 13 53.32147 0.4 . . . . . . 40 ALA CA . 25951 1 199 . 1 1 40 40 ALA CB C 13 19.34317 0.4 . . . . . . 40 ALA CB . 25951 1 200 . 1 1 40 40 ALA N N 15 121.18467 0.2 . . . . . . 40 ALA N . 25951 1 201 . 1 1 41 41 PHE H H 1 7.67791 0.04 . . . . . . 41 PHE H . 25951 1 202 . 1 1 41 41 PHE C C 13 175.13826 0.4 . . . . . . 41 PHE C . 25951 1 203 . 1 1 41 41 PHE CA C 13 60.39473 0.4 . . . . . . 41 PHE CA . 25951 1 204 . 1 1 41 41 PHE CB C 13 38.82568 0.4 . . . . . . 41 PHE CB . 25951 1 205 . 1 1 41 41 PHE N N 15 118.24225 0.2 . . . . . . 41 PHE N . 25951 1 206 . 1 1 42 42 ASN H H 1 7.66763 0.04 . . . . . . 42 ASN H . 25951 1 207 . 1 1 42 42 ASN HD21 H 1 6.46166 0.04 . . . . . . 42 ASN HD21 . 25951 1 208 . 1 1 42 42 ASN HD22 H 1 7.24072 0.04 . . . . . . 42 ASN HD22 . 25951 1 209 . 1 1 42 42 ASN C C 13 173.4463 0.4 . . . . . . 42 ASN C . 25951 1 210 . 1 1 42 42 ASN CA C 13 52.873385 0.4 . . . . . . 42 ASN CA . 25951 1 211 . 1 1 42 42 ASN CB C 13 39.482805 0.4 . . . . . . 42 ASN CB . 25951 1 212 . 1 1 42 42 ASN CG C 13 177.2015 0.4 . . . . . . 42 ASN CG . 25951 1 213 . 1 1 42 42 ASN N N 15 128.69997 0.2 . . . . . . 42 ASN N . 25951 1 214 . 1 1 42 42 ASN ND2 N 15 110.81322 0.2 . . . . . . 42 ASN ND2 . 25951 1 215 . 1 1 43 43 GLU H H 1 7.10871 0.04 . . . . . . 43 GLU H . 25951 1 216 . 1 1 43 43 GLU CA C 13 52.22263 0.4 . . . . . . 43 GLU CA . 25951 1 217 . 1 1 43 43 GLU CB C 13 30.4156 0.4 . . . . . . 43 GLU CB . 25951 1 218 . 1 1 43 43 GLU N N 15 120.87452 0.2 . . . . . . 43 GLU N . 25951 1 219 . 1 1 44 44 PRO C C 13 176.49412 0.4 . . . . . . 44 PRO C . 25951 1 220 . 1 1 44 44 PRO CA C 13 62.3796 0.4 . . . . . . 44 PRO CA . 25951 1 221 . 1 1 44 44 PRO CB C 13 32.88373 0.4 . . . . . . 44 PRO CB . 25951 1 222 . 1 1 45 45 GLY H H 1 7.69448 0.04 . . . . . . 45 GLY H . 25951 1 223 . 1 1 45 45 GLY C C 13 170.13323 0.4 . . . . . . 45 GLY C . 25951 1 224 . 1 1 45 45 GLY CA C 13 46.220175 0.4 . . . . . . 45 GLY CA . 25951 1 225 . 1 1 45 45 GLY N N 15 107.63655 0.2 . . . . . . 45 GLY N . 25951 1 226 . 1 1 46 46 ASP H H 1 8.51693 0.04 . . . . . . 46 ASP H . 25951 1 227 . 1 1 46 46 ASP C C 13 175.76441 0.4 . . . . . . 46 ASP C . 25951 1 228 . 1 1 46 46 ASP CA C 13 54.444675 0.4 . . . . . . 46 ASP CA . 25951 1 229 . 1 1 46 46 ASP CB C 13 43.792695 0.4 . . . . . . 46 ASP CB . 25951 1 230 . 1 1 46 46 ASP N N 15 117.5248 0.2 . . . . . . 46 ASP N . 25951 1 231 . 1 1 47 47 ASN H H 1 7.88092 0.04 . . . . . . 47 ASN H . 25951 1 232 . 1 1 47 47 ASN HD21 H 1 7.75914 0.04 . . . . . . 47 ASN HD21 . 25951 1 233 . 1 1 47 47 ASN HD22 H 1 8.03944 0.04 . . . . . . 47 ASN HD22 . 25951 1 234 . 1 1 47 47 ASN C C 13 172.75595 0.4 . . . . . . 47 ASN C . 25951 1 235 . 1 1 47 47 ASN CA C 13 52.65172 0.4 . . . . . . 47 ASN CA . 25951 1 236 . 1 1 47 47 ASN CB C 13 44.573305 0.4 . . . . . . 47 ASN CB . 25951 1 237 . 1 1 47 47 ASN N N 15 116.68126 0.2 . . . . . . 47 ASN N . 25951 1 238 . 1 1 47 47 ASN ND2 N 15 114.82641 0.2 . . . . . . 47 ASN ND2 . 25951 1 239 . 1 1 48 48 VAL H H 1 9.9291 0.04 . . . . . . 48 VAL H . 25951 1 240 . 1 1 48 48 VAL C C 13 172.81095 0.4 . . . . . . 48 VAL C . 25951 1 241 . 1 1 48 48 VAL CA C 13 59.179385 0.4 . . . . . . 48 VAL CA . 25951 1 242 . 1 1 48 48 VAL CB C 13 36.543995 0.4 . . . . . . 48 VAL CB . 25951 1 243 . 1 1 48 48 VAL N N 15 125.33905 0.2 . . . . . . 48 VAL N . 25951 1 244 . 1 1 49 49 SER H H 1 8.36766 0.04 . . . . . . 49 SER H . 25951 1 245 . 1 1 49 49 SER C C 13 172.07294 0.4 . . . . . . 49 SER C . 25951 1 246 . 1 1 49 49 SER CA C 13 58.594695 0.4 . . . . . . 49 SER CA . 25951 1 247 . 1 1 49 49 SER CB C 13 67.3212 0.4 . . . . . . 49 SER CB . 25951 1 248 . 1 1 49 49 SER N N 15 121.49303 0.2 . . . . . . 49 SER N . 25951 1 249 . 1 1 50 50 VAL H H 1 8.53703 0.04 . . . . . . 50 VAL H . 25951 1 250 . 1 1 50 50 VAL C C 13 172.40681 0.4 . . . . . . 50 VAL C . 25951 1 251 . 1 1 50 50 VAL CA C 13 59.276205 0.4 . . . . . . 50 VAL CA . 25951 1 252 . 1 1 50 50 VAL CB C 13 35.067515 0.4 . . . . . . 50 VAL CB . 25951 1 253 . 1 1 50 50 VAL N N 15 116.0197 0.2 . . . . . . 50 VAL N . 25951 1 254 . 1 1 51 51 THR H H 1 8.90333 0.04 . . . . . . 51 THR H . 25951 1 255 . 1 1 51 51 THR C C 13 170.10452 0.4 . . . . . . 51 THR C . 25951 1 256 . 1 1 51 51 THR CA C 13 61.0998 0.4 . . . . . . 51 THR CA . 25951 1 257 . 1 1 51 51 THR CB C 13 69.93039 0.4 . . . . . . 51 THR CB . 25951 1 258 . 1 1 51 51 THR N N 15 118.79871 0.2 . . . . . . 51 THR N . 25951 1 259 . 1 1 52 52 SER H H 1 8.29812 0.04 . . . . . . 52 SER H . 25951 1 260 . 1 1 52 52 SER C C 13 171.9728 0.4 . . . . . . 52 SER C . 25951 1 261 . 1 1 52 52 SER CA C 13 57.824025 0.4 . . . . . . 52 SER CA . 25951 1 262 . 1 1 52 52 SER CB C 13 67.43951 0.4 . . . . . . 52 SER CB . 25951 1 263 . 1 1 52 52 SER N N 15 118.69798 0.2 . . . . . . 52 SER N . 25951 1 264 . 1 1 53 53 TRP H H 1 8.65596 0.04 . . . . . . 53 TRP H . 25951 1 265 . 1 1 53 53 TRP HD1 H 1 6.6348 0.04 . . . . . . 53 TRP HD1 . 25951 1 266 . 1 1 53 53 TRP HE1 H 1 9.55135 0.04 . . . . . . 53 TRP HE1 . 25951 1 267 . 1 1 53 53 TRP C C 13 172.09877 0.4 . . . . . . 53 TRP C . 25951 1 268 . 1 1 53 53 TRP CA C 13 57.788535 0.4 . . . . . . 53 TRP CA . 25951 1 269 . 1 1 53 53 TRP CB C 13 31.84097 0.4 . . . . . . 53 TRP CB . 25951 1 270 . 1 1 53 53 TRP N N 15 118.79727 0.2 . . . . . . 53 TRP N . 25951 1 271 . 1 1 53 53 TRP NE1 N 15 128.45917 0.2 . . . . . . 53 TRP NE1 . 25951 1 272 . 1 1 54 54 LEU H H 1 8.49655 0.04 . . . . . . 54 LEU H . 25951 1 273 . 1 1 54 54 LEU C C 13 178.29891 0.4 . . . . . . 54 LEU C . 25951 1 274 . 1 1 54 54 LEU CA C 13 53.548605 0.4 . . . . . . 54 LEU CA . 25951 1 275 . 1 1 54 54 LEU CB C 13 45.479 0.4 . . . . . . 54 LEU CB . 25951 1 276 . 1 1 54 54 LEU N N 15 121.99962 0.2 . . . . . . 54 LEU N . 25951 1 277 . 1 1 55 55 VAL H H 1 8.60538 0.04 . . . . . . 55 VAL H . 25951 1 278 . 1 1 55 55 VAL C C 13 177.34838 0.4 . . . . . . 55 VAL C . 25951 1 279 . 1 1 55 55 VAL CA C 13 62.39163 0.4 . . . . . . 55 VAL CA . 25951 1 280 . 1 1 55 55 VAL CB C 13 32.375575 0.4 . . . . . . 55 VAL CB . 25951 1 281 . 1 1 55 55 VAL N N 15 122.6829 0.2 . . . . . . 55 VAL N . 25951 1 282 . 1 1 56 56 GLY H H 1 9.15727 0.04 . . . . . . 56 GLY H . 25951 1 283 . 1 1 56 56 GLY C C 13 174.43538 0.4 . . . . . . 56 GLY C . 25951 1 284 . 1 1 56 56 GLY CA C 13 47.33003 0.4 . . . . . . 56 GLY CA . 25951 1 285 . 1 1 56 56 GLY N N 15 119.13258 0.2 . . . . . . 56 GLY N . 25951 1 286 . 1 1 57 57 SER H H 1 8.90995 0.04 . . . . . . 57 SER H . 25951 1 287 . 1 1 57 57 SER C C 13 173.53321 0.4 . . . . . . 57 SER C . 25951 1 288 . 1 1 57 57 SER CA C 13 58.1053 0.4 . . . . . . 57 SER CA . 25951 1 289 . 1 1 57 57 SER CB C 13 64.059545 0.4 . . . . . . 57 SER CB . 25951 1 290 . 1 1 57 57 SER N N 15 122.19101 0.2 . . . . . . 57 SER N . 25951 1 291 . 1 1 58 58 ALA H H 1 8.13438 0.04 . . . . . . 58 ALA H . 25951 1 292 . 1 1 58 58 ALA C C 13 175.12739 0.4 . . . . . . 58 ALA C . 25951 1 293 . 1 1 58 58 ALA CA C 13 51.78848 0.4 . . . . . . 58 ALA CA . 25951 1 294 . 1 1 58 58 ALA CB C 13 20.10576 0.4 . . . . . . 58 ALA CB . 25951 1 295 . 1 1 58 58 ALA N N 15 127.14446 0.2 . . . . . . 58 ALA N . 25951 1 296 . 1 1 59 59 ILE H H 1 7.56348 0.04 . . . . . . 59 ILE H . 25951 1 297 . 1 1 59 59 ILE C C 13 172.48002 0.4 . . . . . . 59 ILE C . 25951 1 298 . 1 1 59 59 ILE CA C 13 56.442385 0.4 . . . . . . 59 ILE CA . 25951 1 299 . 1 1 59 59 ILE CB C 13 39.89359 0.4 . . . . . . 59 ILE CB . 25951 1 300 . 1 1 59 59 ILE N N 15 123.68598 0.2 . . . . . . 59 ILE N . 25951 1 301 . 1 1 60 60 HIS H H 1 7.63426 0.04 . . . . . . 60 HIS H . 25951 1 302 . 1 1 60 60 HIS C C 13 172.75794 0.4 . . . . . . 60 HIS C . 25951 1 303 . 1 1 60 60 HIS CA C 13 53.01019 0.4 . . . . . . 60 HIS CA . 25951 1 304 . 1 1 60 60 HIS CB C 13 30.02067 0.4 . . . . . . 60 HIS CB . 25951 1 305 . 1 1 60 60 HIS N N 15 123.17101 0.2 . . . . . . 60 HIS N . 25951 1 306 . 1 1 61 61 ILE H H 1 8.58219 0.04 . . . . . . 61 ILE H . 25951 1 307 . 1 1 61 61 ILE C C 13 177.0047 0.4 . . . . . . 61 ILE C . 25951 1 308 . 1 1 61 61 ILE CA C 13 60.303685 0.4 . . . . . . 61 ILE CA . 25951 1 309 . 1 1 61 61 ILE CB C 13 41.403685 0.4 . . . . . . 61 ILE CB . 25951 1 310 . 1 1 61 61 ILE N N 15 118.69589 0.2 . . . . . . 61 ILE N . 25951 1 311 . 1 1 62 62 ARG H H 1 9.15057 0.04 . . . . . . 62 ARG H . 25951 1 312 . 1 1 62 62 ARG C C 13 172.79007 0.4 . . . . . . 62 ARG C . 25951 1 313 . 1 1 62 62 ARG CA C 13 53.49191 0.4 . . . . . . 62 ARG CA . 25951 1 314 . 1 1 62 62 ARG CB C 13 32.858035 0.4 . . . . . . 62 ARG CB . 25951 1 315 . 1 1 62 62 ARG N N 15 129.71002 0.2 . . . . . . 62 ARG N . 25951 1 316 . 1 1 63 63 VAL H H 1 8.88368 0.04 . . . . . . 63 VAL H . 25951 1 317 . 1 1 63 63 VAL C C 13 174.12204 0.4 . . . . . . 63 VAL C . 25951 1 318 . 1 1 63 63 VAL CA C 13 60.335865 0.4 . . . . . . 63 VAL CA . 25951 1 319 . 1 1 63 63 VAL CB C 13 34.13998 0.4 . . . . . . 63 VAL CB . 25951 1 320 . 1 1 63 63 VAL N N 15 123.78115 0.2 . . . . . . 63 VAL N . 25951 1 321 . 1 1 64 64 TYR H H 1 8.64125 0.04 . . . . . . 64 TYR H . 25951 1 322 . 1 1 64 64 TYR C C 13 175.16829 0.4 . . . . . . 64 TYR C . 25951 1 323 . 1 1 64 64 TYR CA C 13 57.938265 0.4 . . . . . . 64 TYR CA . 25951 1 324 . 1 1 64 64 TYR CB C 13 36.85164 0.4 . . . . . . 64 TYR CB . 25951 1 325 . 1 1 64 64 TYR N N 15 125.37216 0.2 . . . . . . 64 TYR N . 25951 1 326 . 1 1 65 65 ALA H H 1 9.2979 0.04 . . . . . . 65 ALA H . 25951 1 327 . 1 1 65 65 ALA C C 13 176.7209 0.4 . . . . . . 65 ALA C . 25951 1 328 . 1 1 65 65 ALA CA C 13 50.55681 0.4 . . . . . . 65 ALA CA . 25951 1 329 . 1 1 65 65 ALA CB C 13 22.369575 0.4 . . . . . . 65 ALA CB . 25951 1 330 . 1 1 65 65 ALA N N 15 132.20177 0.2 . . . . . . 65 ALA N . 25951 1 331 . 1 1 66 66 SER H H 1 8.94691 0.04 . . . . . . 66 SER H . 25951 1 332 . 1 1 66 66 SER C C 13 173.2656 0.4 . . . . . . 66 SER C . 25951 1 333 . 1 1 66 66 SER CA C 13 58.15221 0.4 . . . . . . 66 SER CA . 25951 1 334 . 1 1 66 66 SER CB C 13 65.224695 0.4 . . . . . . 66 SER CB . 25951 1 335 . 1 1 66 66 SER N N 15 118.84574 0.2 . . . . . . 66 SER N . 25951 1 336 . 1 1 67 67 THR H H 1 8.53809 0.04 . . . . . . 67 THR H . 25951 1 337 . 1 1 67 67 THR C C 13 174.63835 0.4 . . . . . . 67 THR C . 25951 1 338 . 1 1 67 67 THR CA C 13 62.153705 0.4 . . . . . . 67 THR CA . 25951 1 339 . 1 1 67 67 THR CB C 13 71.070725 0.4 . . . . . . 67 THR CB . 25951 1 340 . 1 1 67 67 THR N N 15 121.56732 0.2 . . . . . . 67 THR N . 25951 1 341 . 1 1 68 68 GLY H H 1 9.42805 0.04 . . . . . . 68 GLY H . 25951 1 342 . 1 1 68 68 GLY C C 13 174.90667 0.4 . . . . . . 68 GLY C . 25951 1 343 . 1 1 68 68 GLY CA C 13 47.29298 0.4 . . . . . . 68 GLY CA . 25951 1 344 . 1 1 68 68 GLY N N 15 118.34003 0.2 . . . . . . 68 GLY N . 25951 1 345 . 1 1 69 69 THR H H 1 8.56302 0.04 . . . . . . 69 THR H . 25951 1 346 . 1 1 69 69 THR C C 13 174.54365 0.4 . . . . . . 69 THR C . 25951 1 347 . 1 1 69 69 THR CA C 13 61.15022 0.4 . . . . . . 69 THR CA . 25951 1 348 . 1 1 69 69 THR CB C 13 68.53294 0.4 . . . . . . 69 THR CB . 25951 1 349 . 1 1 69 69 THR N N 15 115.51214 0.2 . . . . . . 69 THR N . 25951 1 350 . 1 1 70 70 THR H H 1 8.35383 0.04 . . . . . . 70 THR H . 25951 1 351 . 1 1 70 70 THR C C 13 173.83093 0.4 . . . . . . 70 THR C . 25951 1 352 . 1 1 70 70 THR CA C 13 62.42472 0.4 . . . . . . 70 THR CA . 25951 1 353 . 1 1 70 70 THR CB C 13 70.434145 0.4 . . . . . . 70 THR CB . 25951 1 354 . 1 1 70 70 THR N N 15 119.44164 0.2 . . . . . . 70 THR N . 25951 1 355 . 1 1 71 71 THR H H 1 8.80941 0.04 . . . . . . 71 THR H . 25951 1 356 . 1 1 71 71 THR C C 13 172.78055 0.4 . . . . . . 71 THR C . 25951 1 357 . 1 1 71 71 THR CA C 13 61.743305 0.4 . . . . . . 71 THR CA . 25951 1 358 . 1 1 71 71 THR CB C 13 70.60988 0.4 . . . . . . 71 THR CB . 25951 1 359 . 1 1 71 71 THR N N 15 126.10928 0.2 . . . . . . 71 THR N . 25951 1 360 . 1 1 72 72 THR H H 1 9.46726 0.04 . . . . . . 72 THR H . 25951 1 361 . 1 1 72 72 THR C C 13 171.2741 0.4 . . . . . . 72 THR C . 25951 1 362 . 1 1 72 72 THR CA C 13 62.091505 0.4 . . . . . . 72 THR CA . 25951 1 363 . 1 1 72 72 THR CB C 13 70.958435 0.4 . . . . . . 72 THR CB . 25951 1 364 . 1 1 72 72 THR N N 15 125.24419 0.2 . . . . . . 72 THR N . 25951 1 365 . 1 1 73 73 GLU H H 1 8.62119 0.04 . . . . . . 73 GLU H . 25951 1 366 . 1 1 73 73 GLU C C 13 173.31509 0.4 . . . . . . 73 GLU C . 25951 1 367 . 1 1 73 73 GLU CA C 13 53.785205 0.4 . . . . . . 73 GLU CA . 25951 1 368 . 1 1 73 73 GLU CB C 13 34.98354 0.4 . . . . . . 73 GLU CB . 25951 1 369 . 1 1 73 73 GLU N N 15 128.74342 0.2 . . . . . . 73 GLU N . 25951 1 370 . 1 1 74 74 TRP H H 1 9.58223 0.04 . . . . . . 74 TRP H . 25951 1 371 . 1 1 74 74 TRP HD1 H 1 6.7444 0.04 . . . . . . 74 TRP HD1 . 25951 1 372 . 1 1 74 74 TRP HE1 H 1 10.49096 0.04 . . . . . . 74 TRP HE1 . 25951 1 373 . 1 1 74 74 TRP C C 13 176.34499 0.4 . . . . . . 74 TRP C . 25951 1 374 . 1 1 74 74 TRP CA C 13 55.466985 0.4 . . . . . . 74 TRP CA . 25951 1 375 . 1 1 74 74 TRP CB C 13 33.599125 0.4 . . . . . . 74 TRP CB . 25951 1 376 . 1 1 74 74 TRP N N 15 129.54801 0.2 . . . . . . 74 TRP N . 25951 1 377 . 1 1 74 74 TRP NE1 N 15 128.09813 0.2 . . . . . . 74 TRP NE1 . 25951 1 378 . 1 1 75 75 CYS H H 1 10.22004 0.04 . . . . . . 75 CYS H . 25951 1 379 . 1 1 75 75 CYS C C 13 173.29301 0.4 . . . . . . 75 CYS C . 25951 1 380 . 1 1 75 75 CYS CA C 13 57.453135 0.4 . . . . . . 75 CYS CA . 25951 1 381 . 1 1 75 75 CYS CB C 13 30.087895 0.4 . . . . . . 75 CYS CB . 25951 1 382 . 1 1 75 75 CYS N N 15 120.56761 0.2 . . . . . . 75 CYS N . 25951 1 383 . 1 1 76 76 TRP H H 1 8.56784 0.04 . . . . . . 76 TRP H . 25951 1 384 . 1 1 76 76 TRP HD1 H 1 6.3612 0.04 . . . . . . 76 TRP HD1 . 25951 1 385 . 1 1 76 76 TRP HE1 H 1 10.23087 0.04 . . . . . . 76 TRP HE1 . 25951 1 386 . 1 1 76 76 TRP C C 13 175.82869 0.4 . . . . . . 76 TRP C . 25951 1 387 . 1 1 76 76 TRP CA C 13 56.89829 0.4 . . . . . . 76 TRP CA . 25951 1 388 . 1 1 76 76 TRP CB C 13 28.547545 0.4 . . . . . . 76 TRP CB . 25951 1 389 . 1 1 76 76 TRP N N 15 123.67257 0.2 . . . . . . 76 TRP N . 25951 1 390 . 1 1 76 76 TRP NE1 N 15 128.68263 0.2 . . . . . . 76 TRP NE1 . 25951 1 391 . 1 1 77 77 ASP H H 1 8.35946 0.04 . . . . . . 77 ASP H . 25951 1 392 . 1 1 77 77 ASP CA C 13 52.31422 0.4 . . . . . . 77 ASP CA . 25951 1 393 . 1 1 77 77 ASP CB C 13 42.88606 0.4 . . . . . . 77 ASP CB . 25951 1 394 . 1 1 77 77 ASP N N 15 126.61417 0.2 . . . . . . 77 ASP N . 25951 1 395 . 1 1 78 78 GLY C C 13 174.08013 0.4 . . . . . . 78 GLY C . 25951 1 396 . 1 1 78 78 GLY CA C 13 45.75251 0.4 . . . . . . 78 GLY CA . 25951 1 397 . 1 1 79 79 ASN H H 1 7.80893 0.04 . . . . . . 79 ASN H . 25951 1 398 . 1 1 79 79 ASN HD21 H 1 6.64411 0.04 . . . . . . 79 ASN HD21 . 25951 1 399 . 1 1 79 79 ASN HD22 H 1 7.31908 0.04 . . . . . . 79 ASN HD22 . 25951 1 400 . 1 1 79 79 ASN CA C 13 52.49344 0.4 . . . . . . 79 ASN CA . 25951 1 401 . 1 1 79 79 ASN CB C 13 39.34647 0.4 . . . . . . 79 ASN CB . 25951 1 402 . 1 1 79 79 ASN CG C 13 177.6851 0.4 . . . . . . 79 ASN CG . 25951 1 403 . 1 1 79 79 ASN N N 15 118.21232 0.2 . . . . . . 79 ASN N . 25951 1 404 . 1 1 79 79 ASN ND2 N 15 112.186065 0.2 . . . . . . 79 ASN ND2 . 25951 1 405 . 1 1 80 80 GLY C C 13 172.5603 0.4 . . . . . . 80 GLY C . 25951 1 406 . 1 1 80 80 GLY CA C 13 44.1047 0.4 . . . . . . 80 GLY CA . 25951 1 407 . 1 1 81 81 TRP H H 1 8.6379 0.04 . . . . . . 81 TRP H . 25951 1 408 . 1 1 81 81 TRP HD1 H 1 7.4228 0.04 . . . . . . 81 TRP HD1 . 25951 1 409 . 1 1 81 81 TRP HE1 H 1 11.54994 0.04 . . . . . . 81 TRP HE1 . 25951 1 410 . 1 1 81 81 TRP C C 13 178.22149 0.4 . . . . . . 81 TRP C . 25951 1 411 . 1 1 81 81 TRP CA C 13 57.331935 0.4 . . . . . . 81 TRP CA . 25951 1 412 . 1 1 81 81 TRP CB C 13 30.281535 0.4 . . . . . . 81 TRP CB . 25951 1 413 . 1 1 81 81 TRP N N 15 121.10772 0.2 . . . . . . 81 TRP N . 25951 1 414 . 1 1 81 81 TRP NE1 N 15 132.30814 0.2 . . . . . . 81 TRP NE1 . 25951 1 415 . 1 1 82 82 THR H H 1 9.67177 0.04 . . . . . . 82 THR H . 25951 1 416 . 1 1 82 82 THR C C 13 173.5285 0.4 . . . . . . 82 THR C . 25951 1 417 . 1 1 82 82 THR CA C 13 60.149345 0.4 . . . . . . 82 THR CA . 25951 1 418 . 1 1 82 82 THR CB C 13 71.97981 0.4 . . . . . . 82 THR CB . 25951 1 419 . 1 1 82 82 THR N N 15 116.45059 0.2 . . . . . . 82 THR N . 25951 1 420 . 1 1 83 83 LYS H H 1 8.84498 0.04 . . . . . . 83 LYS H . 25951 1 421 . 1 1 83 83 LYS C C 13 178.2132 0.4 . . . . . . 83 LYS C . 25951 1 422 . 1 1 83 83 LYS CA C 13 57.5305 0.4 . . . . . . 83 LYS CA . 25951 1 423 . 1 1 83 83 LYS CB C 13 32.5921 0.4 . . . . . . 83 LYS CB . 25951 1 424 . 1 1 83 83 LYS N N 15 125.33146 0.2 . . . . . . 83 LYS N . 25951 1 425 . 1 1 84 84 GLY H H 1 9.07613 0.04 . . . . . . 84 GLY H . 25951 1 426 . 1 1 84 84 GLY C C 13 174.65129 0.4 . . . . . . 84 GLY C . 25951 1 427 . 1 1 84 84 GLY CA C 13 44.3324 0.4 . . . . . . 84 GLY CA . 25951 1 428 . 1 1 84 84 GLY N N 15 115.52821 0.2 . . . . . . 84 GLY N . 25951 1 429 . 1 1 85 85 ALA H H 1 8.56841 0.04 . . . . . . 85 ALA H . 25951 1 430 . 1 1 85 85 ALA C C 13 177.18411 0.4 . . . . . . 85 ALA C . 25951 1 431 . 1 1 85 85 ALA CA C 13 52.64015 0.4 . . . . . . 85 ALA CA . 25951 1 432 . 1 1 85 85 ALA CB C 13 19.3836 0.4 . . . . . . 85 ALA CB . 25951 1 433 . 1 1 85 85 ALA N N 15 120.99751 0.2 . . . . . . 85 ALA N . 25951 1 434 . 1 1 86 86 TYR H H 1 7.34429 0.04 . . . . . . 86 TYR H . 25951 1 435 . 1 1 86 86 TYR C C 13 174.96926 0.4 . . . . . . 86 TYR C . 25951 1 436 . 1 1 86 86 TYR CA C 13 61.5784 0.4 . . . . . . 86 TYR CA . 25951 1 437 . 1 1 86 86 TYR CB C 13 40.0126 0.4 . . . . . . 86 TYR CB . 25951 1 438 . 1 1 86 86 TYR N N 15 119.17454 0.2 . . . . . . 86 TYR N . 25951 1 439 . 1 1 87 87 THR H H 1 5.37357 0.04 . . . . . . 87 THR H . 25951 1 440 . 1 1 87 87 THR C C 13 172.89777 0.4 . . . . . . 87 THR C . 25951 1 441 . 1 1 87 87 THR CA C 13 58.621235 0.4 . . . . . . 87 THR CA . 25951 1 442 . 1 1 87 87 THR CB C 13 72.471175 0.4 . . . . . . 87 THR CB . 25951 1 443 . 1 1 87 87 THR N N 15 115.32226 0.2 . . . . . . 87 THR N . 25951 1 444 . 1 1 88 88 ALA H H 1 8.36721 0.04 . . . . . . 88 ALA H . 25951 1 445 . 1 1 88 88 ALA C C 13 176.4602 0.4 . . . . . . 88 ALA C . 25951 1 446 . 1 1 88 88 ALA CA C 13 52.898825 0.4 . . . . . . 88 ALA CA . 25951 1 447 . 1 1 88 88 ALA CB C 13 20.641365 0.4 . . . . . . 88 ALA CB . 25951 1 448 . 1 1 88 88 ALA N N 15 123.97665 0.2 . . . . . . 88 ALA N . 25951 1 449 . 1 1 89 89 THR H H 1 7.65044 0.04 . . . . . . 89 THR H . 25951 1 450 . 1 1 89 89 THR C C 13 172.99819 0.4 . . . . . . 89 THR C . 25951 1 451 . 1 1 89 89 THR CA C 13 60.706685 0.4 . . . . . . 89 THR CA . 25951 1 452 . 1 1 89 89 THR CB C 13 70.52023 0.4 . . . . . . 89 THR CB . 25951 1 453 . 1 1 89 89 THR N N 15 109.2953 0.2 . . . . . . 89 THR N . 25951 1 454 . 1 1 90 90 ASN H H 1 8.07561 0.04 . . . . . . 90 ASN H . 25951 1 455 . 1 1 90 90 ASN HD21 H 1 6.88305 0.04 . . . . . . 90 ASN HD21 . 25951 1 456 . 1 1 90 90 ASN HD22 H 1 7.49754 0.04 . . . . . . 90 ASN HD22 . 25951 1 457 . 1 1 90 90 ASN CA C 13 55.25209 0.4 . . . . . . 90 ASN CA . 25951 1 458 . 1 1 90 90 ASN CB C 13 39.98741 0.4 . . . . . . 90 ASN CB . 25951 1 459 . 1 1 90 90 ASN CG C 13 178.3143 0.4 . . . . . . 90 ASN CG . 25951 1 460 . 1 1 90 90 ASN N N 15 125.27983 0.2 . . . . . . 90 ASN N . 25951 1 461 . 1 1 90 90 ASN ND2 N 15 112.957965 0.2 . . . . . . 90 ASN ND2 . 25951 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 25951 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25951 2 2 '3D HNCACB' . . . 25951 2 3 '3D CBCA(CO)NH' . . . 25951 2 4 '3D HNCO' . . . 25951 2 5 '2D (HB)CB(CGCD)HD' . . . 25951 2 6 '3D 1H-15N NOESY' . . . 25951 2 7 '3D 1H-13C NOESY' . . . 25951 2 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 2 2 SER C C 13 174.21405 0.4 . . . . . . 2 SER C . 25951 2 2 . 1 1 2 2 SER CA C 13 58.29677 0.4 . . . . . . 2 SER CA . 25951 2 3 . 1 1 2 2 SER CB C 13 65.52233 0.4 . . . . . . 2 SER CB . 25951 2 4 . 1 1 3 3 VAL H H 1 7.93119 0.04 . . . . . . 3 VAL H . 25951 2 5 . 1 1 3 3 VAL C C 13 173.57258 0.4 . . . . . . 3 VAL C . 25951 2 6 . 1 1 3 3 VAL CA C 13 61.874085 0.4 . . . . . . 3 VAL CA . 25951 2 7 . 1 1 3 3 VAL CB C 13 32.624265 0.4 . . . . . . 3 VAL CB . 25951 2 8 . 1 1 3 3 VAL N N 15 115.84733 0.2 . . . . . . 3 VAL N . 25951 2 9 . 1 1 4 4 GLN H H 1 7.57851 0.04 . . . . . . 4 GLN H . 25951 2 10 . 1 1 4 4 GLN HE21 H 1 6.96512 0.04 . . . . . . 4 GLN HE21 . 25951 2 11 . 1 1 4 4 GLN HE22 H 1 7.56873 0.04 . . . . . . 4 GLN HE22 . 25951 2 12 . 1 1 4 4 GLN C C 13 175.39242 0.4 . . . . . . 4 GLN C . 25951 2 13 . 1 1 4 4 GLN CA C 13 54.76612 0.4 . . . . . . 4 GLN CA . 25951 2 14 . 1 1 4 4 GLN CB C 13 31.25939 0.4 . . . . . . 4 GLN CB . 25951 2 15 . 1 1 4 4 GLN CG C 13 33.6961 0.4 . . . . . . 4 GLN CG . 25951 2 16 . 1 1 4 4 GLN CD C 13 179.0547 0.4 . . . . . . 4 GLN CD . 25951 2 17 . 1 1 4 4 GLN N N 15 120.42966 0.2 . . . . . . 4 GLN N . 25951 2 18 . 1 1 4 4 GLN NE2 N 15 111.42749 0.2 . . . . . . 4 GLN NE2 . 25951 2 19 . 1 1 5 5 THR H H 1 8.08145 0.04 . . . . . . 5 THR H . 25951 2 20 . 1 1 5 5 THR C C 13 174.05261 0.4 . . . . . . 5 THR C . 25951 2 21 . 1 1 5 5 THR CA C 13 59.4177 0.4 . . . . . . 5 THR CA . 25951 2 22 . 1 1 5 5 THR CB C 13 73.670505 0.4 . . . . . . 5 THR CB . 25951 2 23 . 1 1 5 5 THR N N 15 112.06967 0.2 . . . . . . 5 THR N . 25951 2 24 . 1 1 6 6 ALA H H 1 8.85983 0.04 . . . . . . 6 ALA H . 25951 2 25 . 1 1 6 6 ALA C C 13 174.17316 0.4 . . . . . . 6 ALA C . 25951 2 26 . 1 1 6 6 ALA CA C 13 51.791015 0.4 . . . . . . 6 ALA CA . 25951 2 27 . 1 1 6 6 ALA CB C 13 24.46949 0.4 . . . . . . 6 ALA CB . 25951 2 28 . 1 1 6 6 ALA N N 15 121.10028 0.2 . . . . . . 6 ALA N . 25951 2 29 . 1 1 7 7 ALA H H 1 8.97037 0.04 . . . . . . 7 ALA H . 25951 2 30 . 1 1 7 7 ALA C C 13 175.90805 0.4 . . . . . . 7 ALA C . 25951 2 31 . 1 1 7 7 ALA CA C 13 51.092 0.4 . . . . . . 7 ALA CA . 25951 2 32 . 1 1 7 7 ALA CB C 13 23.664615 0.4 . . . . . . 7 ALA CB . 25951 2 33 . 1 1 7 7 ALA N N 15 123.26726 0.2 . . . . . . 7 ALA N . 25951 2 34 . 1 1 8 8 THR H H 1 8.94055 0.04 . . . . . . 8 THR H . 25951 2 35 . 1 1 8 8 THR C C 13 170.24827 0.4 . . . . . . 8 THR C . 25951 2 36 . 1 1 8 8 THR CA C 13 60.4863 0.4 . . . . . . 8 THR CA . 25951 2 37 . 1 1 8 8 THR CB C 13 70.27394 0.4 . . . . . . 8 THR CB . 25951 2 38 . 1 1 8 8 THR N N 15 114.37601 0.2 . . . . . . 8 THR N . 25951 2 39 . 1 1 9 9 SER H H 1 8.21 0.04 . . . . . . 9 SER H . 25951 2 40 . 1 1 9 9 SER C C 13 173.67477 0.4 . . . . . . 9 SER C . 25951 2 41 . 1 1 9 9 SER CA C 13 57.410885 0.4 . . . . . . 9 SER CA . 25951 2 42 . 1 1 9 9 SER CB C 13 67.55487 0.4 . . . . . . 9 SER CB . 25951 2 43 . 1 1 9 9 SER N N 15 117.26074 0.2 . . . . . . 9 SER N . 25951 2 44 . 1 1 10 10 TRP H H 1 8.42879 0.04 . . . . . . 10 TRP H . 25951 2 45 . 1 1 10 10 TRP HD1 H 1 7.0294 0.04 . . . . . . 10 TRP HD1 . 25951 2 46 . 1 1 10 10 TRP HE1 H 1 10.08349 0.04 . . . . . . 10 TRP HE1 . 25951 2 47 . 1 1 10 10 TRP C C 13 174.94861 0.4 . . . . . . 10 TRP C . 25951 2 48 . 1 1 10 10 TRP CA C 13 57.573135 0.4 . . . . . . 10 TRP CA . 25951 2 49 . 1 1 10 10 TRP CB C 13 32.242705 0.4 . . . . . . 10 TRP CB . 25951 2 50 . 1 1 10 10 TRP N N 15 116.14275 0.2 . . . . . . 10 TRP N . 25951 2 51 . 1 1 10 10 TRP NE1 N 15 129.53141 0.2 . . . . . . 10 TRP NE1 . 25951 2 52 . 1 1 11 11 GLY H H 1 8.89282 0.04 . . . . . . 11 GLY H . 25951 2 53 . 1 1 11 11 GLY C C 13 173.43268 0.4 . . . . . . 11 GLY C . 25951 2 54 . 1 1 11 11 GLY CA C 13 44.714805 0.4 . . . . . . 11 GLY CA . 25951 2 55 . 1 1 11 11 GLY N N 15 106.17737 0.2 . . . . . . 11 GLY N . 25951 2 56 . 1 1 12 12 THR H H 1 8.17528 0.04 . . . . . . 12 THR H . 25951 2 57 . 1 1 12 12 THR C C 13 175.39653 0.4 . . . . . . 12 THR C . 25951 2 58 . 1 1 12 12 THR CA C 13 61.382625 0.4 . . . . . . 12 THR CA . 25951 2 59 . 1 1 12 12 THR CB C 13 69.80408 0.4 . . . . . . 12 THR CB . 25951 2 60 . 1 1 12 12 THR N N 15 105.31212 0.2 . . . . . . 12 THR N . 25951 2 61 . 1 1 13 13 VAL H H 1 7.97454 0.04 . . . . . . 13 VAL H . 25951 2 62 . 1 1 13 13 VAL CA C 13 67.94362 0.4 . . . . . . 13 VAL CA . 25951 2 63 . 1 1 13 13 VAL CB C 13 29.8551 0.4 . . . . . . 13 VAL CB . 25951 2 64 . 1 1 13 13 VAL N N 15 123.84628 0.2 . . . . . . 13 VAL N . 25951 2 65 . 1 1 14 14 PRO C C 13 174.92091 0.4 . . . . . . 14 PRO C . 25951 2 66 . 1 1 14 14 PRO CA C 13 62.35426 0.4 . . . . . . 14 PRO CA . 25951 2 67 . 1 1 14 14 PRO CB C 13 32.65594 0.4 . . . . . . 14 PRO CB . 25951 2 68 . 1 1 15 15 SER H H 1 6.99107 0.04 . . . . . . 15 SER H . 25951 2 69 . 1 1 15 15 SER C C 13 173.35345 0.4 . . . . . . 15 SER C . 25951 2 70 . 1 1 15 15 SER CA C 13 58.88457 0.4 . . . . . . 15 SER CA . 25951 2 71 . 1 1 15 15 SER CB C 13 64.218405 0.4 . . . . . . 15 SER CB . 25951 2 72 . 1 1 15 15 SER N N 15 109.9285 0.2 . . . . . . 15 SER N . 25951 2 73 . 1 1 16 16 ILE H H 1 8.73346 0.04 . . . . . . 16 ILE H . 25951 2 74 . 1 1 16 16 ILE C C 13 177.47192 0.4 . . . . . . 16 ILE C . 25951 2 75 . 1 1 16 16 ILE CA C 13 59.86008 0.4 . . . . . . 16 ILE CA . 25951 2 76 . 1 1 16 16 ILE CB C 13 42.42191 0.4 . . . . . . 16 ILE CB . 25951 2 77 . 1 1 16 16 ILE N N 15 118.15506 0.2 . . . . . . 16 ILE N . 25951 2 78 . 1 1 17 17 ARG H H 1 8.89865 0.04 . . . . . . 17 ARG H . 25951 2 79 . 1 1 17 17 ARG C C 13 173.84129 0.4 . . . . . . 17 ARG C . 25951 2 80 . 1 1 17 17 ARG CA C 13 53.78391 0.4 . . . . . . 17 ARG CA . 25951 2 81 . 1 1 17 17 ARG CB C 13 34.260905 0.4 . . . . . . 17 ARG CB . 25951 2 82 . 1 1 17 17 ARG N N 15 128.38416 0.2 . . . . . . 17 ARG N . 25951 2 83 . 1 1 18 18 VAL H H 1 8.67288 0.04 . . . . . . 18 VAL H . 25951 2 84 . 1 1 18 18 VAL C C 13 175.86866 0.4 . . . . . . 18 VAL C . 25951 2 85 . 1 1 18 18 VAL CA C 13 60.917615 0.4 . . . . . . 18 VAL CA . 25951 2 86 . 1 1 18 18 VAL CB C 13 34.47362 0.4 . . . . . . 18 VAL CB . 25951 2 87 . 1 1 18 18 VAL N N 15 121.2155 0.2 . . . . . . 18 VAL N . 25951 2 88 . 1 1 19 19 TYR H H 1 9.6945 0.04 . . . . . . 19 TYR H . 25951 2 89 . 1 1 19 19 TYR C C 13 174.85991 0.4 . . . . . . 19 TYR C . 25951 2 90 . 1 1 19 19 TYR CA C 13 56.96311 0.4 . . . . . . 19 TYR CA . 25951 2 91 . 1 1 19 19 TYR CB C 13 41.21625 0.4 . . . . . . 19 TYR CB . 25951 2 92 . 1 1 19 19 TYR N N 15 132.45551 0.2 . . . . . . 19 TYR N . 25951 2 93 . 1 1 20 20 THR H H 1 8.74473 0.04 . . . . . . 20 THR H . 25951 2 94 . 1 1 20 20 THR C C 13 172.8062 0.4 . . . . . . 20 THR C . 25951 2 95 . 1 1 20 20 THR CA C 13 61.68559 0.4 . . . . . . 20 THR CA . 25951 2 96 . 1 1 20 20 THR CB C 13 70.968375 0.4 . . . . . . 20 THR CB . 25951 2 97 . 1 1 20 20 THR N N 15 117.44834 0.2 . . . . . . 20 THR N . 25951 2 98 . 1 1 21 21 ALA H H 1 9.49795 0.04 . . . . . . 21 ALA H . 25951 2 99 . 1 1 21 21 ALA C C 13 176.16504 0.4 . . . . . . 21 ALA C . 25951 2 100 . 1 1 21 21 ALA CA C 13 50.840035 0.4 . . . . . . 21 ALA CA . 25951 2 101 . 1 1 21 21 ALA CB C 13 19.426635 0.4 . . . . . . 21 ALA CB . 25951 2 102 . 1 1 21 21 ALA N N 15 131.80864 0.2 . . . . . . 21 ALA N . 25951 2 103 . 1 1 22 22 ASN H H 1 8.97177 0.04 . . . . . . 22 ASN H . 25951 2 104 . 1 1 22 22 ASN HD21 H 1 6.5192 0.04 . . . . . . 22 ASN HD21 . 25951 2 105 . 1 1 22 22 ASN HD22 H 1 7.49105 0.04 . . . . . . 22 ASN HD22 . 25951 2 106 . 1 1 22 22 ASN C C 13 175.25589 0.4 . . . . . . 22 ASN C . 25951 2 107 . 1 1 22 22 ASN CA C 13 52.518325 0.4 . . . . . . 22 ASN CA . 25951 2 108 . 1 1 22 22 ASN CB C 13 41.1865 0.4 . . . . . . 22 ASN CB . 25951 2 109 . 1 1 22 22 ASN N N 15 121.88943 0.2 . . . . . . 22 ASN N . 25951 2 110 . 1 1 22 22 ASN ND2 N 15 109.940065 0.2 . . . . . . 22 ASN ND2 . 25951 2 111 . 1 1 23 23 ASN H H 1 9.27484 0.04 . . . . . . 23 ASN H . 25951 2 112 . 1 1 23 23 ASN HD21 H 1 6.73439 0.04 . . . . . . 23 ASN HD21 . 25951 2 113 . 1 1 23 23 ASN HD22 H 1 7.49767 0.04 . . . . . . 23 ASN HD22 . 25951 2 114 . 1 1 23 23 ASN C C 13 175.22322 0.4 . . . . . . 23 ASN C . 25951 2 115 . 1 1 23 23 ASN CA C 13 54.237555 0.4 . . . . . . 23 ASN CA . 25951 2 116 . 1 1 23 23 ASN CB C 13 37.32662 0.4 . . . . . . 23 ASN CB . 25951 2 117 . 1 1 23 23 ASN CG C 13 178.1672 0.4 . . . . . . 23 ASN CG . 25951 2 118 . 1 1 23 23 ASN N N 15 125.44937 0.2 . . . . . . 23 ASN N . 25951 2 119 . 1 1 23 23 ASN ND2 N 15 112.22004 0.2 . . . . . . 23 ASN ND2 . 25951 2 120 . 1 1 24 24 GLY H H 1 8.87119 0.04 . . . . . . 24 GLY H . 25951 2 121 . 1 1 24 24 GLY C C 13 175.33591 0.4 . . . . . . 24 GLY C . 25951 2 122 . 1 1 24 24 GLY CA C 13 45.8018 0.4 . . . . . . 24 GLY CA . 25951 2 123 . 1 1 24 24 GLY N N 15 104.10181 0.2 . . . . . . 24 GLY N . 25951 2 124 . 1 1 25 25 LYS H H 1 7.79946 0.04 . . . . . . 25 LYS H . 25951 2 125 . 1 1 25 25 LYS C C 13 174.09504 0.4 . . . . . . 25 LYS C . 25951 2 126 . 1 1 25 25 LYS CA C 13 55.137655 0.4 . . . . . . 25 LYS CA . 25951 2 127 . 1 1 25 25 LYS CB C 13 35.71808 0.4 . . . . . . 25 LYS CB . 25951 2 128 . 1 1 25 25 LYS N N 15 122.77949 0.2 . . . . . . 25 LYS N . 25951 2 129 . 1 1 26 26 ILE H H 1 8.91209 0.04 . . . . . . 26 ILE H . 25951 2 130 . 1 1 26 26 ILE C C 13 175.48371 0.4 . . . . . . 26 ILE C . 25951 2 131 . 1 1 26 26 ILE CA C 13 59.463795 0.4 . . . . . . 26 ILE CA . 25951 2 132 . 1 1 26 26 ILE CB C 13 39.378935 0.4 . . . . . . 26 ILE CB . 25951 2 133 . 1 1 26 26 ILE N N 15 123.78115 0.2 . . . . . . 26 ILE N . 25951 2 134 . 1 1 27 27 THR H H 1 8.22408 0.04 . . . . . . 27 THR H . 25951 2 135 . 1 1 27 27 THR C C 13 172.97246 0.4 . . . . . . 27 THR C . 25951 2 136 . 1 1 27 27 THR CA C 13 60.135375 0.4 . . . . . . 27 THR CA . 25951 2 137 . 1 1 27 27 THR CB C 13 71.65985 0.4 . . . . . . 27 THR CB . 25951 2 138 . 1 1 27 27 THR N N 15 115.23835 0.2 . . . . . . 27 THR N . 25951 2 139 . 1 1 28 28 GLU H H 1 8.78865 0.04 . . . . . . 28 GLU H . 25951 2 140 . 1 1 28 28 GLU C C 13 175.55111 0.4 . . . . . . 28 GLU C . 25951 2 141 . 1 1 28 28 GLU CA C 13 54.95534 0.4 . . . . . . 28 GLU CA . 25951 2 142 . 1 1 28 28 GLU CB C 13 37.61927 0.4 . . . . . . 28 GLU CB . 25951 2 143 . 1 1 28 28 GLU N N 15 123.21587 0.2 . . . . . . 28 GLU N . 25951 2 144 . 1 1 29 29 ARG H H 1 8.92626 0.04 . . . . . . 29 ARG H . 25951 2 145 . 1 1 29 29 ARG C C 13 175.50731 0.4 . . . . . . 29 ARG C . 25951 2 146 . 1 1 29 29 ARG CA C 13 52.841895 0.4 . . . . . . 29 ARG CA . 25951 2 147 . 1 1 29 29 ARG CB C 13 33.50288 0.4 . . . . . . 29 ARG CB . 25951 2 148 . 1 1 29 29 ARG N N 15 127.49058 0.2 . . . . . . 29 ARG N . 25951 2 149 . 1 1 30 30 CYS H H 1 9.21254 0.04 . . . . . . 30 CYS H . 25951 2 150 . 1 1 30 30 CYS C C 13 171.12347 0.4 . . . . . . 30 CYS C . 25951 2 151 . 1 1 30 30 CYS CA C 13 56.27487 0.4 . . . . . . 30 CYS CA . 25951 2 152 . 1 1 30 30 CYS CB C 13 30.37623 0.4 . . . . . . 30 CYS CB . 25951 2 153 . 1 1 30 30 CYS N N 15 119.29813 0.2 . . . . . . 30 CYS N . 25951 2 154 . 1 1 31 31 TRP H H 1 8.06896 0.04 . . . . . . 31 TRP H . 25951 2 155 . 1 1 31 31 TRP HD1 H 1 7.0553 0.04 . . . . . . 31 TRP HD1 . 25951 2 156 . 1 1 31 31 TRP HE1 H 1 10.58074 0.04 . . . . . . 31 TRP HE1 . 25951 2 157 . 1 1 31 31 TRP C C 13 175.02804 0.4 . . . . . . 31 TRP C . 25951 2 158 . 1 1 31 31 TRP CA C 13 56.39333 0.4 . . . . . . 31 TRP CA . 25951 2 159 . 1 1 31 31 TRP CB C 13 30.13767 0.4 . . . . . . 31 TRP CB . 25951 2 160 . 1 1 31 31 TRP N N 15 122.06693 0.2 . . . . . . 31 TRP N . 25951 2 161 . 1 1 31 31 TRP NE1 N 15 130.59137 0.2 . . . . . . 31 TRP NE1 . 25951 2 162 . 1 1 32 32 ASP H H 1 8.73307 0.04 . . . . . . 32 ASP H . 25951 2 163 . 1 1 32 32 ASP CA C 13 52.92336 0.4 . . . . . . 32 ASP CA . 25951 2 164 . 1 1 32 32 ASP CB C 13 42.8374 0.4 . . . . . . 32 ASP CB . 25951 2 165 . 1 1 32 32 ASP N N 15 126.68675 0.2 . . . . . . 32 ASP N . 25951 2 166 . 1 1 33 33 GLY C C 13 174.23477 0.4 . . . . . . 33 GLY C . 25951 2 167 . 1 1 33 33 GLY CA C 13 45.49908 0.4 . . . . . . 33 GLY CA . 25951 2 168 . 1 1 34 34 LYS H H 1 7.45137 0.04 . . . . . . 34 LYS H . 25951 2 169 . 1 1 34 34 LYS CA C 13 54.7232 0.4 . . . . . . 34 LYS CA . 25951 2 170 . 1 1 34 34 LYS CB C 13 33.17958 0.4 . . . . . . 34 LYS CB . 25951 2 171 . 1 1 34 34 LYS N N 15 119.45455 0.2 . . . . . . 34 LYS N . 25951 2 172 . 1 1 35 35 GLY C C 13 173.64024 0.4 . . . . . . 35 GLY C . 25951 2 173 . 1 1 35 35 GLY CA C 13 44.24326 0.4 . . . . . . 35 GLY CA . 25951 2 174 . 1 1 36 36 TRP H H 1 8.81941 0.04 . . . . . . 36 TRP H . 25951 2 175 . 1 1 36 36 TRP HD1 H 1 7.2848 0.04 . . . . . . 36 TRP HD1 . 25951 2 176 . 1 1 36 36 TRP HE1 H 1 11.26338 0.04 . . . . . . 36 TRP HE1 . 25951 2 177 . 1 1 36 36 TRP C C 13 177.4324 0.4 . . . . . . 36 TRP C . 25951 2 178 . 1 1 36 36 TRP CA C 13 57.74826 0.4 . . . . . . 36 TRP CA . 25951 2 179 . 1 1 36 36 TRP CB C 13 30.107175 0.4 . . . . . . 36 TRP CB . 25951 2 180 . 1 1 36 36 TRP N N 15 122.51691 0.2 . . . . . . 36 TRP N . 25951 2 181 . 1 1 36 36 TRP NE1 N 15 132.59482 0.2 . . . . . . 36 TRP NE1 . 25951 2 182 . 1 1 37 37 TYR H H 1 9.27737 0.04 . . . . . . 37 TYR H . 25951 2 183 . 1 1 37 37 TYR C C 13 174.53456 0.4 . . . . . . 37 TYR C . 25951 2 184 . 1 1 37 37 TYR CA C 13 56.1891 0.4 . . . . . . 37 TYR CA . 25951 2 185 . 1 1 37 37 TYR CB C 13 40.9713 0.4 . . . . . . 37 TYR CB . 25951 2 186 . 1 1 37 37 TYR N N 15 119.30281 0.2 . . . . . . 37 TYR N . 25951 2 187 . 1 1 38 38 THR H H 1 9.32761 0.04 . . . . . . 38 THR H . 25951 2 188 . 1 1 38 38 THR C C 13 174.77411 0.4 . . . . . . 38 THR C . 25951 2 189 . 1 1 38 38 THR CA C 13 64.31437 0.4 . . . . . . 38 THR CA . 25951 2 190 . 1 1 38 38 THR CB C 13 69.110005 0.4 . . . . . . 38 THR CB . 25951 2 191 . 1 1 38 38 THR N N 15 121.70359 0.2 . . . . . . 38 THR N . 25951 2 192 . 1 1 39 39 GLY H H 1 8.67523 0.04 . . . . . . 39 GLY H . 25951 2 193 . 1 1 39 39 GLY C C 13 174.26817 0.4 . . . . . . 39 GLY C . 25951 2 194 . 1 1 39 39 GLY CA C 13 44.74098 0.4 . . . . . . 39 GLY CA . 25951 2 195 . 1 1 39 39 GLY N N 15 116.56343 0.2 . . . . . . 39 GLY N . 25951 2 196 . 1 1 40 40 ALA H H 1 8.8818 0.04 . . . . . . 40 ALA H . 25951 2 197 . 1 1 40 40 ALA C C 13 178.62739 0.4 . . . . . . 40 ALA C . 25951 2 198 . 1 1 40 40 ALA CA C 13 53.32147 0.4 . . . . . . 40 ALA CA . 25951 2 199 . 1 1 40 40 ALA CB C 13 19.34317 0.4 . . . . . . 40 ALA CB . 25951 2 200 . 1 1 40 40 ALA N N 15 121.18467 0.2 . . . . . . 40 ALA N . 25951 2 201 . 1 1 41 41 PHE H H 1 7.49094 0.04 . . . . . . 41 PHE H . 25951 2 202 . 1 1 41 41 PHE C C 13 175.13826 0.4 . . . . . . 41 PHE C . 25951 2 203 . 1 1 41 41 PHE CA C 13 60.3529 0.4 . . . . . . 41 PHE CA . 25951 2 204 . 1 1 41 41 PHE CB C 13 38.8086 0.4 . . . . . . 41 PHE CB . 25951 2 205 . 1 1 41 41 PHE N N 15 117.9971 0.2 . . . . . . 41 PHE N . 25951 2 206 . 1 1 42 42 ASN H H 1 7.66763 0.04 . . . . . . 42 ASN H . 25951 2 207 . 1 1 42 42 ASN HD21 H 1 6.46166 0.04 . . . . . . 42 ASN HD21 . 25951 2 208 . 1 1 42 42 ASN HD22 H 1 7.24072 0.04 . . . . . . 42 ASN HD22 . 25951 2 209 . 1 1 42 42 ASN C C 13 173.4463 0.4 . . . . . . 42 ASN C . 25951 2 210 . 1 1 42 42 ASN CA C 13 52.873385 0.4 . . . . . . 42 ASN CA . 25951 2 211 . 1 1 42 42 ASN CB C 13 39.482805 0.4 . . . . . . 42 ASN CB . 25951 2 212 . 1 1 42 42 ASN CG C 13 177.2015 0.4 . . . . . . 42 ASN CG . 25951 2 213 . 1 1 42 42 ASN N N 15 128.69997 0.2 . . . . . . 42 ASN N . 25951 2 214 . 1 1 42 42 ASN ND2 N 15 110.81322 0.2 . . . . . . 42 ASN ND2 . 25951 2 215 . 1 1 43 43 GLU H H 1 7.10871 0.04 . . . . . . 43 GLU H . 25951 2 216 . 1 1 43 43 GLU CA C 13 52.22263 0.4 . . . . . . 43 GLU CA . 25951 2 217 . 1 1 43 43 GLU CB C 13 30.4156 0.4 . . . . . . 43 GLU CB . 25951 2 218 . 1 1 43 43 GLU N N 15 120.87452 0.2 . . . . . . 43 GLU N . 25951 2 219 . 1 1 44 44 PRO C C 13 176.49412 0.4 . . . . . . 44 PRO C . 25951 2 220 . 1 1 44 44 PRO CA C 13 62.3796 0.4 . . . . . . 44 PRO CA . 25951 2 221 . 1 1 44 44 PRO CB C 13 32.88373 0.4 . . . . . . 44 PRO CB . 25951 2 222 . 1 1 45 45 GLY H H 1 7.69448 0.04 . . . . . . 45 GLY H . 25951 2 223 . 1 1 45 45 GLY C C 13 170.13323 0.4 . . . . . . 45 GLY C . 25951 2 224 . 1 1 45 45 GLY CA C 13 46.220175 0.4 . . . . . . 45 GLY CA . 25951 2 225 . 1 1 45 45 GLY N N 15 107.63655 0.2 . . . . . . 45 GLY N . 25951 2 226 . 1 1 46 46 ASP H H 1 8.51693 0.04 . . . . . . 46 ASP H . 25951 2 227 . 1 1 46 46 ASP C C 13 175.76441 0.4 . . . . . . 46 ASP C . 25951 2 228 . 1 1 46 46 ASP CA C 13 54.444675 0.4 . . . . . . 46 ASP CA . 25951 2 229 . 1 1 46 46 ASP CB C 13 43.792695 0.4 . . . . . . 46 ASP CB . 25951 2 230 . 1 1 46 46 ASP N N 15 117.5248 0.2 . . . . . . 46 ASP N . 25951 2 231 . 1 1 47 47 ASN H H 1 7.88092 0.04 . . . . . . 47 ASN H . 25951 2 232 . 1 1 47 47 ASN HD21 H 1 7.75914 0.04 . . . . . . 47 ASN HD21 . 25951 2 233 . 1 1 47 47 ASN HD22 H 1 8.03944 0.04 . . . . . . 47 ASN HD22 . 25951 2 234 . 1 1 47 47 ASN C C 13 172.75595 0.4 . . . . . . 47 ASN C . 25951 2 235 . 1 1 47 47 ASN CA C 13 52.65172 0.4 . . . . . . 47 ASN CA . 25951 2 236 . 1 1 47 47 ASN CB C 13 44.573305 0.4 . . . . . . 47 ASN CB . 25951 2 237 . 1 1 47 47 ASN N N 15 116.68126 0.2 . . . . . . 47 ASN N . 25951 2 238 . 1 1 47 47 ASN ND2 N 15 114.82641 0.2 . . . . . . 47 ASN ND2 . 25951 2 239 . 1 1 48 48 VAL H H 1 9.9291 0.04 . . . . . . 48 VAL H . 25951 2 240 . 1 1 48 48 VAL C C 13 172.81095 0.4 . . . . . . 48 VAL C . 25951 2 241 . 1 1 48 48 VAL CA C 13 59.179385 0.4 . . . . . . 48 VAL CA . 25951 2 242 . 1 1 48 48 VAL CB C 13 36.543995 0.4 . . . . . . 48 VAL CB . 25951 2 243 . 1 1 48 48 VAL N N 15 125.33905 0.2 . . . . . . 48 VAL N . 25951 2 244 . 1 1 49 49 SER H H 1 8.36766 0.04 . . . . . . 49 SER H . 25951 2 245 . 1 1 49 49 SER C C 13 172.07294 0.4 . . . . . . 49 SER C . 25951 2 246 . 1 1 49 49 SER CA C 13 58.594695 0.4 . . . . . . 49 SER CA . 25951 2 247 . 1 1 49 49 SER CB C 13 67.3212 0.4 . . . . . . 49 SER CB . 25951 2 248 . 1 1 49 49 SER N N 15 121.49303 0.2 . . . . . . 49 SER N . 25951 2 249 . 1 1 50 50 VAL H H 1 8.53703 0.04 . . . . . . 50 VAL H . 25951 2 250 . 1 1 50 50 VAL C C 13 172.40681 0.4 . . . . . . 50 VAL C . 25951 2 251 . 1 1 50 50 VAL CA C 13 59.276205 0.4 . . . . . . 50 VAL CA . 25951 2 252 . 1 1 50 50 VAL CB C 13 35.067515 0.4 . . . . . . 50 VAL CB . 25951 2 253 . 1 1 50 50 VAL N N 15 116.0197 0.2 . . . . . . 50 VAL N . 25951 2 254 . 1 1 51 51 THR H H 1 8.90333 0.04 . . . . . . 51 THR H . 25951 2 255 . 1 1 51 51 THR C C 13 170.10452 0.4 . . . . . . 51 THR C . 25951 2 256 . 1 1 51 51 THR CA C 13 61.0998 0.4 . . . . . . 51 THR CA . 25951 2 257 . 1 1 51 51 THR CB C 13 69.93039 0.4 . . . . . . 51 THR CB . 25951 2 258 . 1 1 51 51 THR N N 15 118.79871 0.2 . . . . . . 51 THR N . 25951 2 259 . 1 1 52 52 SER H H 1 8.29812 0.04 . . . . . . 52 SER H . 25951 2 260 . 1 1 52 52 SER C C 13 171.9728 0.4 . . . . . . 52 SER C . 25951 2 261 . 1 1 52 52 SER CA C 13 57.824025 0.4 . . . . . . 52 SER CA . 25951 2 262 . 1 1 52 52 SER CB C 13 67.43951 0.4 . . . . . . 52 SER CB . 25951 2 263 . 1 1 52 52 SER N N 15 118.69798 0.2 . . . . . . 52 SER N . 25951 2 264 . 1 1 53 53 TRP H H 1 8.65596 0.04 . . . . . . 53 TRP H . 25951 2 265 . 1 1 53 53 TRP HD1 H 1 6.6348 0.04 . . . . . . 53 TRP HD1 . 25951 2 266 . 1 1 53 53 TRP HE1 H 1 9.55135 0.04 . . . . . . 53 TRP HE1 . 25951 2 267 . 1 1 53 53 TRP C C 13 172.09877 0.4 . . . . . . 53 TRP C . 25951 2 268 . 1 1 53 53 TRP CA C 13 57.788535 0.4 . . . . . . 53 TRP CA . 25951 2 269 . 1 1 53 53 TRP CB C 13 31.84097 0.4 . . . . . . 53 TRP CB . 25951 2 270 . 1 1 53 53 TRP N N 15 118.79727 0.2 . . . . . . 53 TRP N . 25951 2 271 . 1 1 53 53 TRP NE1 N 15 128.45917 0.2 . . . . . . 53 TRP NE1 . 25951 2 272 . 1 1 54 54 LEU H H 1 8.49655 0.04 . . . . . . 54 LEU H . 25951 2 273 . 1 1 54 54 LEU C C 13 178.29891 0.4 . . . . . . 54 LEU C . 25951 2 274 . 1 1 54 54 LEU CA C 13 53.548605 0.4 . . . . . . 54 LEU CA . 25951 2 275 . 1 1 54 54 LEU CB C 13 45.479 0.4 . . . . . . 54 LEU CB . 25951 2 276 . 1 1 54 54 LEU N N 15 121.99962 0.2 . . . . . . 54 LEU N . 25951 2 277 . 1 1 55 55 VAL H H 1 8.60538 0.04 . . . . . . 55 VAL H . 25951 2 278 . 1 1 55 55 VAL C C 13 177.34838 0.4 . . . . . . 55 VAL C . 25951 2 279 . 1 1 55 55 VAL CA C 13 62.39163 0.4 . . . . . . 55 VAL CA . 25951 2 280 . 1 1 55 55 VAL CB C 13 32.375575 0.4 . . . . . . 55 VAL CB . 25951 2 281 . 1 1 55 55 VAL N N 15 122.6829 0.2 . . . . . . 55 VAL N . 25951 2 282 . 1 1 56 56 GLY H H 1 9.15727 0.04 . . . . . . 56 GLY H . 25951 2 283 . 1 1 56 56 GLY C C 13 174.43538 0.4 . . . . . . 56 GLY C . 25951 2 284 . 1 1 56 56 GLY CA C 13 47.33003 0.4 . . . . . . 56 GLY CA . 25951 2 285 . 1 1 56 56 GLY N N 15 119.13258 0.2 . . . . . . 56 GLY N . 25951 2 286 . 1 1 57 57 SER H H 1 8.90995 0.04 . . . . . . 57 SER H . 25951 2 287 . 1 1 57 57 SER C C 13 173.53321 0.4 . . . . . . 57 SER C . 25951 2 288 . 1 1 57 57 SER CA C 13 58.1053 0.4 . . . . . . 57 SER CA . 25951 2 289 . 1 1 57 57 SER CB C 13 64.059545 0.4 . . . . . . 57 SER CB . 25951 2 290 . 1 1 57 57 SER N N 15 122.19101 0.2 . . . . . . 57 SER N . 25951 2 291 . 1 1 58 58 ALA H H 1 8.13438 0.04 . . . . . . 58 ALA H . 25951 2 292 . 1 1 58 58 ALA C C 13 175.12739 0.4 . . . . . . 58 ALA C . 25951 2 293 . 1 1 58 58 ALA CA C 13 51.78848 0.4 . . . . . . 58 ALA CA . 25951 2 294 . 1 1 58 58 ALA CB C 13 20.10576 0.4 . . . . . . 58 ALA CB . 25951 2 295 . 1 1 58 58 ALA N N 15 127.14446 0.2 . . . . . . 58 ALA N . 25951 2 296 . 1 1 59 59 ILE H H 1 7.56348 0.04 . . . . . . 59 ILE H . 25951 2 297 . 1 1 59 59 ILE C C 13 172.48002 0.4 . . . . . . 59 ILE C . 25951 2 298 . 1 1 59 59 ILE CA C 13 56.442385 0.4 . . . . . . 59 ILE CA . 25951 2 299 . 1 1 59 59 ILE CB C 13 39.89359 0.4 . . . . . . 59 ILE CB . 25951 2 300 . 1 1 59 59 ILE N N 15 123.68598 0.2 . . . . . . 59 ILE N . 25951 2 301 . 1 1 60 60 HIS H H 1 7.63426 0.04 . . . . . . 60 HIS H . 25951 2 302 . 1 1 60 60 HIS C C 13 172.75794 0.4 . . . . . . 60 HIS C . 25951 2 303 . 1 1 60 60 HIS CA C 13 53.01019 0.4 . . . . . . 60 HIS CA . 25951 2 304 . 1 1 60 60 HIS CB C 13 30.02067 0.4 . . . . . . 60 HIS CB . 25951 2 305 . 1 1 60 60 HIS N N 15 123.17101 0.2 . . . . . . 60 HIS N . 25951 2 306 . 1 1 61 61 ILE H H 1 8.58219 0.04 . . . . . . 61 ILE H . 25951 2 307 . 1 1 61 61 ILE C C 13 177.0047 0.4 . . . . . . 61 ILE C . 25951 2 308 . 1 1 61 61 ILE CA C 13 60.303685 0.4 . . . . . . 61 ILE CA . 25951 2 309 . 1 1 61 61 ILE CB C 13 41.403685 0.4 . . . . . . 61 ILE CB . 25951 2 310 . 1 1 61 61 ILE N N 15 118.69589 0.2 . . . . . . 61 ILE N . 25951 2 311 . 1 1 62 62 ARG H H 1 9.15057 0.04 . . . . . . 62 ARG H . 25951 2 312 . 1 1 62 62 ARG C C 13 172.79007 0.4 . . . . . . 62 ARG C . 25951 2 313 . 1 1 62 62 ARG CA C 13 53.49191 0.4 . . . . . . 62 ARG CA . 25951 2 314 . 1 1 62 62 ARG CB C 13 32.858035 0.4 . . . . . . 62 ARG CB . 25951 2 315 . 1 1 62 62 ARG N N 15 129.71002 0.2 . . . . . . 62 ARG N . 25951 2 316 . 1 1 63 63 VAL H H 1 8.88368 0.04 . . . . . . 63 VAL H . 25951 2 317 . 1 1 63 63 VAL C C 13 174.12204 0.4 . . . . . . 63 VAL C . 25951 2 318 . 1 1 63 63 VAL CA C 13 60.335865 0.4 . . . . . . 63 VAL CA . 25951 2 319 . 1 1 63 63 VAL CB C 13 34.13998 0.4 . . . . . . 63 VAL CB . 25951 2 320 . 1 1 63 63 VAL N N 15 123.78115 0.2 . . . . . . 63 VAL N . 25951 2 321 . 1 1 64 64 TYR H H 1 8.64125 0.04 . . . . . . 64 TYR H . 25951 2 322 . 1 1 64 64 TYR C C 13 175.16829 0.4 . . . . . . 64 TYR C . 25951 2 323 . 1 1 64 64 TYR CA C 13 57.938265 0.4 . . . . . . 64 TYR CA . 25951 2 324 . 1 1 64 64 TYR CB C 13 36.85164 0.4 . . . . . . 64 TYR CB . 25951 2 325 . 1 1 64 64 TYR N N 15 125.37216 0.2 . . . . . . 64 TYR N . 25951 2 326 . 1 1 65 65 ALA H H 1 9.2979 0.04 . . . . . . 65 ALA H . 25951 2 327 . 1 1 65 65 ALA C C 13 176.7209 0.4 . . . . . . 65 ALA C . 25951 2 328 . 1 1 65 65 ALA CA C 13 50.55681 0.4 . . . . . . 65 ALA CA . 25951 2 329 . 1 1 65 65 ALA CB C 13 22.369575 0.4 . . . . . . 65 ALA CB . 25951 2 330 . 1 1 65 65 ALA N N 15 132.20177 0.2 . . . . . . 65 ALA N . 25951 2 331 . 1 1 66 66 SER H H 1 8.94691 0.04 . . . . . . 66 SER H . 25951 2 332 . 1 1 66 66 SER C C 13 173.2656 0.4 . . . . . . 66 SER C . 25951 2 333 . 1 1 66 66 SER CA C 13 58.15221 0.4 . . . . . . 66 SER CA . 25951 2 334 . 1 1 66 66 SER CB C 13 65.224695 0.4 . . . . . . 66 SER CB . 25951 2 335 . 1 1 66 66 SER N N 15 118.84574 0.2 . . . . . . 66 SER N . 25951 2 336 . 1 1 67 67 THR H H 1 8.53809 0.04 . . . . . . 67 THR H . 25951 2 337 . 1 1 67 67 THR C C 13 174.63835 0.4 . . . . . . 67 THR C . 25951 2 338 . 1 1 67 67 THR CA C 13 62.153705 0.4 . . . . . . 67 THR CA . 25951 2 339 . 1 1 67 67 THR CB C 13 71.070725 0.4 . . . . . . 67 THR CB . 25951 2 340 . 1 1 67 67 THR N N 15 121.56732 0.2 . . . . . . 67 THR N . 25951 2 341 . 1 1 68 68 GLY H H 1 9.42805 0.04 . . . . . . 68 GLY H . 25951 2 342 . 1 1 68 68 GLY C C 13 174.90667 0.4 . . . . . . 68 GLY C . 25951 2 343 . 1 1 68 68 GLY CA C 13 47.29298 0.4 . . . . . . 68 GLY CA . 25951 2 344 . 1 1 68 68 GLY N N 15 118.34003 0.2 . . . . . . 68 GLY N . 25951 2 345 . 1 1 69 69 THR H H 1 8.56302 0.04 . . . . . . 69 THR H . 25951 2 346 . 1 1 69 69 THR C C 13 174.54365 0.4 . . . . . . 69 THR C . 25951 2 347 . 1 1 69 69 THR CA C 13 61.15022 0.4 . . . . . . 69 THR CA . 25951 2 348 . 1 1 69 69 THR CB C 13 68.53294 0.4 . . . . . . 69 THR CB . 25951 2 349 . 1 1 69 69 THR N N 15 115.51214 0.2 . . . . . . 69 THR N . 25951 2 350 . 1 1 70 70 THR H H 1 8.35383 0.04 . . . . . . 70 THR H . 25951 2 351 . 1 1 70 70 THR C C 13 173.83093 0.4 . . . . . . 70 THR C . 25951 2 352 . 1 1 70 70 THR CA C 13 62.42472 0.4 . . . . . . 70 THR CA . 25951 2 353 . 1 1 70 70 THR CB C 13 70.434145 0.4 . . . . . . 70 THR CB . 25951 2 354 . 1 1 70 70 THR N N 15 119.44164 0.2 . . . . . . 70 THR N . 25951 2 355 . 1 1 71 71 THR H H 1 8.80941 0.04 . . . . . . 71 THR H . 25951 2 356 . 1 1 71 71 THR C C 13 172.78055 0.4 . . . . . . 71 THR C . 25951 2 357 . 1 1 71 71 THR CA C 13 61.743305 0.4 . . . . . . 71 THR CA . 25951 2 358 . 1 1 71 71 THR CB C 13 70.60988 0.4 . . . . . . 71 THR CB . 25951 2 359 . 1 1 71 71 THR N N 15 126.10928 0.2 . . . . . . 71 THR N . 25951 2 360 . 1 1 72 72 THR H H 1 9.46726 0.04 . . . . . . 72 THR H . 25951 2 361 . 1 1 72 72 THR C C 13 171.2741 0.4 . . . . . . 72 THR C . 25951 2 362 . 1 1 72 72 THR CA C 13 62.091505 0.4 . . . . . . 72 THR CA . 25951 2 363 . 1 1 72 72 THR CB C 13 70.958435 0.4 . . . . . . 72 THR CB . 25951 2 364 . 1 1 72 72 THR N N 15 125.24419 0.2 . . . . . . 72 THR N . 25951 2 365 . 1 1 73 73 GLU H H 1 8.62119 0.04 . . . . . . 73 GLU H . 25951 2 366 . 1 1 73 73 GLU C C 13 173.31509 0.4 . . . . . . 73 GLU C . 25951 2 367 . 1 1 73 73 GLU CA C 13 53.785205 0.4 . . . . . . 73 GLU CA . 25951 2 368 . 1 1 73 73 GLU CB C 13 34.98354 0.4 . . . . . . 73 GLU CB . 25951 2 369 . 1 1 73 73 GLU N N 15 128.74342 0.2 . . . . . . 73 GLU N . 25951 2 370 . 1 1 74 74 TRP H H 1 9.58223 0.04 . . . . . . 74 TRP H . 25951 2 371 . 1 1 74 74 TRP HD1 H 1 6.7444 0.04 . . . . . . 74 TRP HD1 . 25951 2 372 . 1 1 74 74 TRP HE1 H 1 10.49096 0.04 . . . . . . 74 TRP HE1 . 25951 2 373 . 1 1 74 74 TRP C C 13 176.34499 0.4 . . . . . . 74 TRP C . 25951 2 374 . 1 1 74 74 TRP CA C 13 55.466985 0.4 . . . . . . 74 TRP CA . 25951 2 375 . 1 1 74 74 TRP CB C 13 33.599125 0.4 . . . . . . 74 TRP CB . 25951 2 376 . 1 1 74 74 TRP N N 15 129.54801 0.2 . . . . . . 74 TRP N . 25951 2 377 . 1 1 74 74 TRP NE1 N 15 128.09813 0.2 . . . . . . 74 TRP NE1 . 25951 2 378 . 1 1 75 75 CYS H H 1 10.22004 0.04 . . . . . . 75 CYS H . 25951 2 379 . 1 1 75 75 CYS C C 13 173.29301 0.4 . . . . . . 75 CYS C . 25951 2 380 . 1 1 75 75 CYS CA C 13 57.453135 0.4 . . . . . . 75 CYS CA . 25951 2 381 . 1 1 75 75 CYS CB C 13 30.087895 0.4 . . . . . . 75 CYS CB . 25951 2 382 . 1 1 75 75 CYS N N 15 120.56761 0.2 . . . . . . 75 CYS N . 25951 2 383 . 1 1 76 76 TRP H H 1 8.56784 0.04 . . . . . . 76 TRP H . 25951 2 384 . 1 1 76 76 TRP HD1 H 1 6.3612 0.04 . . . . . . 76 TRP HD1 . 25951 2 385 . 1 1 76 76 TRP HE1 H 1 10.32335 0.04 . . . . . . 76 TRP HE1 . 25951 2 386 . 1 1 76 76 TRP C C 13 175.82869 0.4 . . . . . . 76 TRP C . 25951 2 387 . 1 1 76 76 TRP CA C 13 56.89829 0.4 . . . . . . 76 TRP CA . 25951 2 388 . 1 1 76 76 TRP CB C 13 28.547545 0.4 . . . . . . 76 TRP CB . 25951 2 389 . 1 1 76 76 TRP N N 15 123.67257 0.2 . . . . . . 76 TRP N . 25951 2 390 . 1 1 76 76 TRP NE1 N 15 129.02196 0.2 . . . . . . 76 TRP NE1 . 25951 2 391 . 1 1 77 77 ASP H H 1 8.35946 0.04 . . . . . . 77 ASP H . 25951 2 392 . 1 1 77 77 ASP CA C 13 52.31422 0.4 . . . . . . 77 ASP CA . 25951 2 393 . 1 1 77 77 ASP CB C 13 42.88606 0.4 . . . . . . 77 ASP CB . 25951 2 394 . 1 1 77 77 ASP N N 15 126.61417 0.2 . . . . . . 77 ASP N . 25951 2 395 . 1 1 78 78 GLY C C 13 174.08013 0.4 . . . . . . 78 GLY C . 25951 2 396 . 1 1 78 78 GLY CA C 13 45.75251 0.4 . . . . . . 78 GLY CA . 25951 2 397 . 1 1 79 79 ASN H H 1 7.80893 0.04 . . . . . . 79 ASN H . 25951 2 398 . 1 1 79 79 ASN HD21 H 1 6.64411 0.04 . . . . . . 79 ASN HD21 . 25951 2 399 . 1 1 79 79 ASN HD22 H 1 7.31908 0.04 . . . . . . 79 ASN HD22 . 25951 2 400 . 1 1 79 79 ASN CA C 13 52.49344 0.4 . . . . . . 79 ASN CA . 25951 2 401 . 1 1 79 79 ASN CB C 13 39.34647 0.4 . . . . . . 79 ASN CB . 25951 2 402 . 1 1 79 79 ASN CG C 13 177.6851 0.4 . . . . . . 79 ASN CG . 25951 2 403 . 1 1 79 79 ASN N N 15 118.21232 0.2 . . . . . . 79 ASN N . 25951 2 404 . 1 1 79 79 ASN ND2 N 15 112.186065 0.2 . . . . . . 79 ASN ND2 . 25951 2 405 . 1 1 80 80 GLY C C 13 172.5603 0.4 . . . . . . 80 GLY C . 25951 2 406 . 1 1 80 80 GLY CA C 13 44.1047 0.4 . . . . . . 80 GLY CA . 25951 2 407 . 1 1 81 81 TRP H H 1 8.6379 0.04 . . . . . . 81 TRP H . 25951 2 408 . 1 1 81 81 TRP HD1 H 1 7.4228 0.04 . . . . . . 81 TRP HD1 . 25951 2 409 . 1 1 81 81 TRP HE1 H 1 11.37202 0.04 . . . . . . 81 TRP HE1 . 25951 2 410 . 1 1 81 81 TRP C C 13 178.22149 0.4 . . . . . . 81 TRP C . 25951 2 411 . 1 1 81 81 TRP CA C 13 57.331935 0.4 . . . . . . 81 TRP CA . 25951 2 412 . 1 1 81 81 TRP CB C 13 30.281535 0.4 . . . . . . 81 TRP CB . 25951 2 413 . 1 1 81 81 TRP N N 15 121.10772 0.2 . . . . . . 81 TRP N . 25951 2 414 . 1 1 81 81 TRP NE1 N 15 131.42737 0.2 . . . . . . 81 TRP NE1 . 25951 2 415 . 1 1 82 82 THR H H 1 9.67177 0.04 . . . . . . 82 THR H . 25951 2 416 . 1 1 82 82 THR C C 13 173.5285 0.4 . . . . . . 82 THR C . 25951 2 417 . 1 1 82 82 THR CA C 13 60.149345 0.4 . . . . . . 82 THR CA . 25951 2 418 . 1 1 82 82 THR CB C 13 71.97981 0.4 . . . . . . 82 THR CB . 25951 2 419 . 1 1 82 82 THR N N 15 116.45059 0.2 . . . . . . 82 THR N . 25951 2 420 . 1 1 83 83 LYS H H 1 8.79745 0.04 . . . . . . 83 LYS H . 25951 2 421 . 1 1 83 83 LYS C C 13 178.192 0.4 . . . . . . 83 LYS C . 25951 2 422 . 1 1 83 83 LYS CA C 13 57.43408 0.4 . . . . . . 83 LYS CA . 25951 2 423 . 1 1 83 83 LYS CB C 13 32.73523 0.4 . . . . . . 83 LYS CB . 25951 2 424 . 1 1 83 83 LYS N N 15 125.16137 0.2 . . . . . . 83 LYS N . 25951 2 425 . 1 1 84 84 GLY H H 1 9.00925 0.04 . . . . . . 84 GLY H . 25951 2 426 . 1 1 84 84 GLY C C 13 174.61171 0.4 . . . . . . 84 GLY C . 25951 2 427 . 1 1 84 84 GLY CA C 13 44.34509 0.4 . . . . . . 84 GLY CA . 25951 2 428 . 1 1 84 84 GLY N N 15 114.93364 0.2 . . . . . . 84 GLY N . 25951 2 429 . 1 1 85 85 ALA H H 1 8.1881 0.04 . . . . . . 85 ALA H . 25951 2 430 . 1 1 85 85 ALA C C 13 177.03336 0.4 . . . . . . 85 ALA C . 25951 2 431 . 1 1 85 85 ALA CA C 13 52.6257 0.4 . . . . . . 85 ALA CA . 25951 2 432 . 1 1 85 85 ALA CB C 13 19.5232 0.4 . . . . . . 85 ALA CB . 25951 2 433 . 1 1 85 85 ALA N N 15 120.31124 0.2 . . . . . . 85 ALA N . 25951 2 434 . 1 1 86 86 TYR H H 1 7.26243 0.04 . . . . . . 86 TYR H . 25951 2 435 . 1 1 86 86 TYR C C 13 174.96926 0.4 . . . . . . 86 TYR C . 25951 2 436 . 1 1 86 86 TYR CA C 13 61.58725 0.4 . . . . . . 86 TYR CA . 25951 2 437 . 1 1 86 86 TYR CB C 13 40.05424 0.4 . . . . . . 86 TYR CB . 25951 2 438 . 1 1 86 86 TYR N N 15 119.07545 0.2 . . . . . . 86 TYR N . 25951 2 439 . 1 1 87 87 THR H H 1 5.37357 0.04 . . . . . . 87 THR H . 25951 2 440 . 1 1 87 87 THR C C 13 172.89777 0.4 . . . . . . 87 THR C . 25951 2 441 . 1 1 87 87 THR CA C 13 58.621235 0.4 . . . . . . 87 THR CA . 25951 2 442 . 1 1 87 87 THR CB C 13 72.471175 0.4 . . . . . . 87 THR CB . 25951 2 443 . 1 1 87 87 THR N N 15 115.32226 0.2 . . . . . . 87 THR N . 25951 2 444 . 1 1 88 88 ALA H H 1 8.36721 0.04 . . . . . . 88 ALA H . 25951 2 445 . 1 1 88 88 ALA C C 13 176.4602 0.4 . . . . . . 88 ALA C . 25951 2 446 . 1 1 88 88 ALA CA C 13 52.898825 0.4 . . . . . . 88 ALA CA . 25951 2 447 . 1 1 88 88 ALA CB C 13 20.641365 0.4 . . . . . . 88 ALA CB . 25951 2 448 . 1 1 88 88 ALA N N 15 123.97665 0.2 . . . . . . 88 ALA N . 25951 2 449 . 1 1 89 89 THR H H 1 7.65044 0.04 . . . . . . 89 THR H . 25951 2 450 . 1 1 89 89 THR C C 13 172.99819 0.4 . . . . . . 89 THR C . 25951 2 451 . 1 1 89 89 THR CA C 13 60.706685 0.4 . . . . . . 89 THR CA . 25951 2 452 . 1 1 89 89 THR CB C 13 70.52023 0.4 . . . . . . 89 THR CB . 25951 2 453 . 1 1 89 89 THR N N 15 109.2953 0.2 . . . . . . 89 THR N . 25951 2 454 . 1 1 90 90 ASN H H 1 8.07561 0.04 . . . . . . 90 ASN H . 25951 2 455 . 1 1 90 90 ASN HD21 H 1 6.88305 0.04 . . . . . . 90 ASN HD21 . 25951 2 456 . 1 1 90 90 ASN HD22 H 1 7.49754 0.04 . . . . . . 90 ASN HD22 . 25951 2 457 . 1 1 90 90 ASN CA C 13 55.25209 0.4 . . . . . . 90 ASN CA . 25951 2 458 . 1 1 90 90 ASN CB C 13 39.98741 0.4 . . . . . . 90 ASN CB . 25951 2 459 . 1 1 90 90 ASN CG C 13 178.3143 0.4 . . . . . . 90 ASN CG . 25951 2 460 . 1 1 90 90 ASN N N 15 125.27983 0.2 . . . . . . 90 ASN N . 25951 2 461 . 1 1 90 90 ASN ND2 N 15 112.957965 0.2 . . . . . . 90 ASN ND2 . 25951 2 stop_ save_