data_25411 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25411 _Entry.Title ; MPMV MA T41I T78I ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-01-05 _Entry.Accession_date 2015-01-05 _Entry.Last_release_date 2016-01-04 _Entry.Original_release_date 2016-01-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Tomas Kroupa . . . 25411 2 Richard Hrabal . . . 25411 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25411 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID M-PMV . 25411 'Mason-Pfiser Monkey virus' . 25411 'matrix protein' . 25411 myristoylation . 25411 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25411 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 374 25411 '15N chemical shifts' 100 25411 '1H chemical shifts' 687 25411 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-01-04 . original BMRB . 25411 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MXI 'BMRB Entry Tracking System' 25411 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25411 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Mason-Pfizer monkey virus matrix protein mutants - structural view of impaired membrane interaction ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Tomas Kroupa . . . 25411 1 2 Michal Dolezal . . . 25411 1 3 Jan Prchal . . . 25411 1 4 Tomas Ruml . . . 25411 1 5 Richard Hrabal . . . 25411 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25411 _Assembly.ID 1 _Assembly.Name 'MPMV MA T41I T78I' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'MPMV MA T41I T78I' 1 $MPMV_MA_T41I_T78I A . yes native no no . . . 25411 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MPMV_MA_T41I_T78I _Entity.Sf_category entity _Entity.Sf_framecode MPMV_MA_T41I_T78I _Entity.Entry_ID 25411 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MPMV_MA_T41I_T78I _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; XGQELSQHERYVEQLKQALK TRGVKVKYADLLKFFDFVKD ICPWFPQEGTIDIKRWRRVG DCFQDYYNTFGPEKVPVIAF SYWNLIKELIDKKEVNPQVM AAVAQTEEILKSNSQTDLEH HHHHH ; _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 yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 125 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14737.889 _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 MYR . 25411 1 2 2 GLY . 25411 1 3 3 GLN . 25411 1 4 4 GLU . 25411 1 5 5 LEU . 25411 1 6 6 SER . 25411 1 7 7 GLN . 25411 1 8 8 HIS . 25411 1 9 9 GLU . 25411 1 10 10 ARG . 25411 1 11 11 TYR . 25411 1 12 12 VAL . 25411 1 13 13 GLU . 25411 1 14 14 GLN . 25411 1 15 15 LEU . 25411 1 16 16 LYS . 25411 1 17 17 GLN . 25411 1 18 18 ALA . 25411 1 19 19 LEU . 25411 1 20 20 LYS . 25411 1 21 21 THR . 25411 1 22 22 ARG . 25411 1 23 23 GLY . 25411 1 24 24 VAL . 25411 1 25 25 LYS . 25411 1 26 26 VAL . 25411 1 27 27 LYS . 25411 1 28 28 TYR . 25411 1 29 29 ALA . 25411 1 30 30 ASP . 25411 1 31 31 LEU . 25411 1 32 32 LEU . 25411 1 33 33 LYS . 25411 1 34 34 PHE . 25411 1 35 35 PHE . 25411 1 36 36 ASP . 25411 1 37 37 PHE . 25411 1 38 38 VAL . 25411 1 39 39 LYS . 25411 1 40 40 ASP . 25411 1 41 41 ILE . 25411 1 42 42 CYS . 25411 1 43 43 PRO . 25411 1 44 44 TRP . 25411 1 45 45 PHE . 25411 1 46 46 PRO . 25411 1 47 47 GLN . 25411 1 48 48 GLU . 25411 1 49 49 GLY . 25411 1 50 50 THR . 25411 1 51 51 ILE . 25411 1 52 52 ASP . 25411 1 53 53 ILE . 25411 1 54 54 LYS . 25411 1 55 55 ARG . 25411 1 56 56 TRP . 25411 1 57 57 ARG . 25411 1 58 58 ARG . 25411 1 59 59 VAL . 25411 1 60 60 GLY . 25411 1 61 61 ASP . 25411 1 62 62 CYS . 25411 1 63 63 PHE . 25411 1 64 64 GLN . 25411 1 65 65 ASP . 25411 1 66 66 TYR . 25411 1 67 67 TYR . 25411 1 68 68 ASN . 25411 1 69 69 THR . 25411 1 70 70 PHE . 25411 1 71 71 GLY . 25411 1 72 72 PRO . 25411 1 73 73 GLU . 25411 1 74 74 LYS . 25411 1 75 75 VAL . 25411 1 76 76 PRO . 25411 1 77 77 VAL . 25411 1 78 78 ILE . 25411 1 79 79 ALA . 25411 1 80 80 PHE . 25411 1 81 81 SER . 25411 1 82 82 TYR . 25411 1 83 83 TRP . 25411 1 84 84 ASN . 25411 1 85 85 LEU . 25411 1 86 86 ILE . 25411 1 87 87 LYS . 25411 1 88 88 GLU . 25411 1 89 89 LEU . 25411 1 90 90 ILE . 25411 1 91 91 ASP . 25411 1 92 92 LYS . 25411 1 93 93 LYS . 25411 1 94 94 GLU . 25411 1 95 95 VAL . 25411 1 96 96 ASN . 25411 1 97 97 PRO . 25411 1 98 98 GLN . 25411 1 99 99 VAL . 25411 1 100 100 MET . 25411 1 101 101 ALA . 25411 1 102 102 ALA . 25411 1 103 103 VAL . 25411 1 104 104 ALA . 25411 1 105 105 GLN . 25411 1 106 106 THR . 25411 1 107 107 GLU . 25411 1 108 108 GLU . 25411 1 109 109 ILE . 25411 1 110 110 LEU . 25411 1 111 111 LYS . 25411 1 112 112 SER . 25411 1 113 113 ASN . 25411 1 114 114 SER . 25411 1 115 115 GLN . 25411 1 116 116 THR . 25411 1 117 117 ASP . 25411 1 118 118 LEU . 25411 1 119 119 GLU . 25411 1 120 120 HIS . 25411 1 121 121 HIS . 25411 1 122 122 HIS . 25411 1 123 123 HIS . 25411 1 124 124 HIS . 25411 1 125 125 HIS . 25411 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 . MYR 1 1 25411 1 . GLY 2 2 25411 1 . GLN 3 3 25411 1 . GLU 4 4 25411 1 . LEU 5 5 25411 1 . SER 6 6 25411 1 . GLN 7 7 25411 1 . HIS 8 8 25411 1 . GLU 9 9 25411 1 . ARG 10 10 25411 1 . TYR 11 11 25411 1 . VAL 12 12 25411 1 . GLU 13 13 25411 1 . GLN 14 14 25411 1 . LEU 15 15 25411 1 . LYS 16 16 25411 1 . GLN 17 17 25411 1 . ALA 18 18 25411 1 . LEU 19 19 25411 1 . LYS 20 20 25411 1 . THR 21 21 25411 1 . ARG 22 22 25411 1 . GLY 23 23 25411 1 . VAL 24 24 25411 1 . LYS 25 25 25411 1 . VAL 26 26 25411 1 . LYS 27 27 25411 1 . TYR 28 28 25411 1 . ALA 29 29 25411 1 . ASP 30 30 25411 1 . LEU 31 31 25411 1 . LEU 32 32 25411 1 . LYS 33 33 25411 1 . PHE 34 34 25411 1 . PHE 35 35 25411 1 . ASP 36 36 25411 1 . PHE 37 37 25411 1 . VAL 38 38 25411 1 . LYS 39 39 25411 1 . ASP 40 40 25411 1 . ILE 41 41 25411 1 . CYS 42 42 25411 1 . PRO 43 43 25411 1 . TRP 44 44 25411 1 . PHE 45 45 25411 1 . PRO 46 46 25411 1 . GLN 47 47 25411 1 . GLU 48 48 25411 1 . GLY 49 49 25411 1 . THR 50 50 25411 1 . ILE 51 51 25411 1 . ASP 52 52 25411 1 . ILE 53 53 25411 1 . LYS 54 54 25411 1 . ARG 55 55 25411 1 . TRP 56 56 25411 1 . ARG 57 57 25411 1 . ARG 58 58 25411 1 . VAL 59 59 25411 1 . GLY 60 60 25411 1 . ASP 61 61 25411 1 . CYS 62 62 25411 1 . PHE 63 63 25411 1 . GLN 64 64 25411 1 . ASP 65 65 25411 1 . TYR 66 66 25411 1 . TYR 67 67 25411 1 . ASN 68 68 25411 1 . THR 69 69 25411 1 . PHE 70 70 25411 1 . GLY 71 71 25411 1 . PRO 72 72 25411 1 . GLU 73 73 25411 1 . LYS 74 74 25411 1 . VAL 75 75 25411 1 . PRO 76 76 25411 1 . VAL 77 77 25411 1 . ILE 78 78 25411 1 . ALA 79 79 25411 1 . PHE 80 80 25411 1 . SER 81 81 25411 1 . TYR 82 82 25411 1 . TRP 83 83 25411 1 . ASN 84 84 25411 1 . LEU 85 85 25411 1 . ILE 86 86 25411 1 . LYS 87 87 25411 1 . GLU 88 88 25411 1 . LEU 89 89 25411 1 . ILE 90 90 25411 1 . ASP 91 91 25411 1 . LYS 92 92 25411 1 . LYS 93 93 25411 1 . GLU 94 94 25411 1 . VAL 95 95 25411 1 . ASN 96 96 25411 1 . PRO 97 97 25411 1 . GLN 98 98 25411 1 . VAL 99 99 25411 1 . MET 100 100 25411 1 . ALA 101 101 25411 1 . ALA 102 102 25411 1 . VAL 103 103 25411 1 . ALA 104 104 25411 1 . GLN 105 105 25411 1 . THR 106 106 25411 1 . GLU 107 107 25411 1 . GLU 108 108 25411 1 . ILE 109 109 25411 1 . LEU 110 110 25411 1 . LYS 111 111 25411 1 . SER 112 112 25411 1 . ASN 113 113 25411 1 . SER 114 114 25411 1 . GLN 115 115 25411 1 . THR 116 116 25411 1 . ASP 117 117 25411 1 . LEU 118 118 25411 1 . GLU 119 119 25411 1 . HIS 120 120 25411 1 . HIS 121 121 25411 1 . HIS 122 122 25411 1 . HIS 123 123 25411 1 . HIS 124 124 25411 1 . HIS 125 125 25411 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25411 _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 $MPMV_MA_T41I_T78I . 11855 virus . 'Mason-Pfizer monkey virus' 'Simian retrovirus' . . Viruses . Betaretrovirus 'Mason-Pfizer monkey virus' . . . . . . . . . . . . . 25411 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 25411 _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 $MPMV_MA_T41I_T78I . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Escherichia coli BL21 (DE3)' . . . . . pET-22b . . . 25411 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_MYR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MYR _Chem_comp.Entry_ID 25411 _Chem_comp.ID MYR _Chem_comp.Provenance PDB _Chem_comp.Name 'MYRISTIC ACID' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code MYR _Chem_comp.PDB_code MYR _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2014-04-24 _Chem_comp.Modified_date 2014-04-24 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code MYR _Chem_comp.Number_atoms_all 44 _Chem_comp.Number_atoms_nh 16 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16) _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 'C14 H28 O2' _Chem_comp.Formula_weight 228.371 _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 Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1ICM _Chem_comp.Processing_site RCSB _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 CCCCCCCCCCCCCC(=O)O SMILES 'OpenEye OEToolkits' 1.7.6 25411 MYR CCCCCCCCCCCCCC(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 25411 MYR CCCCCCCCCCCCCC(O)=O SMILES CACTVS 3.385 25411 MYR CCCCCCCCCCCCCC(O)=O SMILES_CANONICAL CACTVS 3.385 25411 MYR InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16) InChI InChI 1.03 25411 MYR O=C(O)CCCCCCCCCCCCC SMILES ACDLabs 12.01 25411 MYR TUNFSRHWOTWDNC-UHFFFAOYSA-N InChIKey InChI 1.03 25411 MYR 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 'tetradecanoic acid' 'SYSTEMATIC NAME' ACDLabs 12.01 25411 MYR 'tetradecanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 25411 MYR 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 . . N 0 . . . 1 no no . . . . 6.748 . -0.653 . 3.744 . 6.963 -0.121 0.001 1 . 25411 MYR O1 O1 O1 O1 . O . . N 0 . . . 1 no no . . . . 6.160 . -1.704 . 3.756 . 6.889 -1.327 0.001 2 . 25411 MYR O2 O2 O2 O2 . O . . N 0 . . . 1 no yes . . . . 6.245 . 0.389 . 4.316 . 8.165 0.477 -0.004 3 . 25411 MYR C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . 8.095 . -0.440 . 3.061 . 5.707 0.712 0.002 4 . 25411 MYR C3 C3 C3 C3 . C . . N 0 . . . 1 no no . . . . 9.236 . -1.264 . 3.627 . 4.485 -0.209 0.001 5 . 25411 MYR C4 C4 C4 C4 . C . . N 0 . . . 1 no no . . . . 9.578 . -0.958 . 5.081 . 3.210 0.637 0.001 6 . 25411 MYR C5 C5 C5 C5 . C . . N 0 . . . 1 no no . . . . 10.773 . -1.735 . 5.635 . 1.988 -0.284 0.001 7 . 25411 MYR C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . 11.280 . -1.093 . 6.928 . 0.712 0.561 0.001 8 . 25411 MYR C7 C7 C7 C7 . C . . N 0 . . . 1 no no . . . . 12.782 . -1.170 . 7.157 . -0.510 -0.359 0.000 9 . 25411 MYR C8 C8 C8 C8 . C . . N 0 . . . 1 no no . . . . 13.305 . 0.171 . 7.667 . -1.785 0.486 0.001 10 . 25411 MYR C9 C9 C9 C9 . C . . N 0 . . . 1 no no . . . . 14.245 . 0.011 . 8.840 . -3.007 -0.435 -0.000 11 . 25411 MYR C10 C10 C10 C10 . C . . N 0 . . . 1 no no . . . . 14.363 . 1.259 . 9.699 . -4.282 0.410 0.000 12 . 25411 MYR C11 C11 C11 C11 . C . . N 0 . . . 1 no no . . . . 15.566 . 2.088 . 9.297 . -5.504 -0.510 -0.001 13 . 25411 MYR C12 C12 C12 C12 . C . . N 0 . . . 1 no no . . . . 15.613 . 3.507 . 9.835 . -6.780 0.335 -0.000 14 . 25411 MYR C13 C13 C13 C13 . C . . N 0 . . . 1 no no . . . . 16.815 . 4.232 . 9.253 . -8.002 -0.586 -0.001 15 . 25411 MYR C14 C14 C14 C14 . C . . N 0 . . . 1 no no . . . . 17.118 . 5.584 . 9.876 . -9.277 0.260 -0.001 16 . 25411 MYR HO2 HO2 HO2 HO2 . H . . N 0 . . . 1 no yes . . . . 5.406 . 0.165 . 4.702 . 8.942 -0.098 -0.008 17 . 25411 MYR H21 H21 H21 H21 . H . . N 0 . . . 1 no no . . . . 7.983 . -0.697 . 1.997 . 5.688 1.340 0.892 18 . 25411 MYR H22 H22 H22 H22 . H . . N 0 . . . 1 no no . . . . 8.362 . 0.623 . 3.155 . 5.688 1.341 -0.888 19 . 25411 MYR H31 H31 H31 H31 . H . . N 0 . . . 1 no no . . . . 8.961 . -2.327 . 3.555 . 4.504 -0.837 -0.890 20 . 25411 MYR H32 H32 H32 H32 . H . . N 0 . . . 1 no no . . . . 10.131 . -1.075 . 3.017 . 4.504 -0.838 0.891 21 . 25411 MYR H41 H41 H41 H41 . H . . N 0 . . . 1 no no . . . . 9.801 . 0.116 . 5.162 . 3.191 1.265 0.891 22 . 25411 MYR H42 H42 H42 H42 . H . . N 0 . . . 1 no no . . . . 8.699 . -1.197 . 5.697 . 3.191 1.266 -0.888 23 . 25411 MYR H51 H51 H51 H51 . H . . N 0 . . . 1 no no . . . . 10.466 . -2.771 . 5.842 . 2.007 -0.913 -0.890 24 . 25411 MYR H52 H52 H52 H52 . H . . N 0 . . . 1 no no . . . . 11.582 . -1.734 . 4.890 . 2.007 -0.914 0.890 25 . 25411 MYR H61 H61 H61 H61 . H . . N 0 . . . 1 no no . . . . 10.994 . -0.031 . 6.913 . 0.693 1.190 0.891 26 . 25411 MYR H62 H62 H62 H62 . H . . N 0 . . . 1 no no . . . . 10.783 . -1.594 . 7.772 . 0.693 1.191 -0.889 27 . 25411 MYR H71 H71 H71 H71 . H . . N 0 . . . 1 no no . . . . 12.997 . -1.951 . 7.901 . -0.491 -0.988 -0.890 28 . 25411 MYR H72 H72 H72 H72 . H . . N 0 . . . 1 no no . . . . 13.282 . -1.419 . 6.209 . -0.491 -0.989 0.890 29 . 25411 MYR H81 H81 H81 H81 . H . . N 0 . . . 1 no no . . . . 13.842 . 0.675 . 6.850 . -1.804 1.114 0.891 30 . 25411 MYR H82 H82 H82 H82 . H . . N 0 . . . 1 no no . . . . 12.450 . 0.788 . 7.980 . -1.804 1.115 -0.889 31 . 25411 MYR H91 H91 H91 H91 . H . . N 0 . . . 1 no no . . . . 13.877 . -0.812 . 9.471 . -2.988 -1.063 -0.891 32 . 25411 MYR H92 H92 H92 H92 . H . . N 0 . . . 1 no no . . . . 15.244 . -0.241 . 8.454 . -2.988 -1.064 0.890 33 . 25411 MYR H101 H101 H101 H101 . H . . N 0 . . . 0 no no . . . . 13.453 . 1.865 . 9.579 . -4.301 1.039 0.891 34 . 25411 MYR H102 H102 H102 H102 . H . . N 0 . . . 0 no no . . . . 14.468 . 0.961 . 10.753 . -4.301 1.040 -0.890 35 . 25411 MYR H111 H111 H111 H111 . H . . N 0 . . . 0 no no . . . . 16.467 . 1.565 . 9.650 . -5.485 -1.139 -0.891 36 . 25411 MYR H112 H112 H112 H112 . H . . N 0 . . . 0 no no . . . . 15.582 . 2.145 . 8.199 . -5.485 -1.140 0.889 37 . 25411 MYR H121 H121 H121 H121 . H . . N 0 . . . 0 no no . . . . 14.692 . 4.037 . 9.550 . -6.799 0.964 0.890 38 . 25411 MYR H122 H122 H122 H122 . H . . N 0 . . . 0 no no . . . . 15.697 . 3.480 . 10.931 . -6.799 0.965 -0.890 39 . 25411 MYR H131 H131 H131 H131 . H . . N 0 . . . 0 no no . . . . 17.698 . 3.590 . 9.387 . -7.983 -1.214 -0.891 40 . 25411 MYR H132 H132 H132 H132 . H . . N 0 . . . 0 no no . . . . 16.633 . 4.385 . 8.179 . -7.983 -1.215 0.889 41 . 25411 MYR H141 H141 H141 H141 . H . . N 0 . . . 0 no no . . . . 18.000 . 6.024 . 9.388 . -9.296 0.889 -0.890 42 . 25411 MYR H142 H142 H142 H142 . H . . N 0 . . . 0 no no . . . . 16.254 . 6.251 . 9.742 . -10.148 -0.396 -0.001 43 . 25411 MYR H143 H143 H143 H143 . H . . N 0 . . . 0 no no . . . . 17.319 . 5.456 . 10.950 . -9.296 0.888 0.890 44 . 25411 MYR 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 . DOUB C1 O1 no N 1 . 25411 MYR 2 . SING C1 O2 no N 2 . 25411 MYR 3 . SING C1 C2 no N 3 . 25411 MYR 4 . SING O2 HO2 no N 4 . 25411 MYR 5 . SING C2 C3 no N 5 . 25411 MYR 6 . SING C2 H21 no N 6 . 25411 MYR 7 . SING C2 H22 no N 7 . 25411 MYR 8 . SING C3 C4 no N 8 . 25411 MYR 9 . SING C3 H31 no N 9 . 25411 MYR 10 . SING C3 H32 no N 10 . 25411 MYR 11 . SING C4 C5 no N 11 . 25411 MYR 12 . SING C4 H41 no N 12 . 25411 MYR 13 . SING C4 H42 no N 13 . 25411 MYR 14 . SING C5 C6 no N 14 . 25411 MYR 15 . SING C5 H51 no N 15 . 25411 MYR 16 . SING C5 H52 no N 16 . 25411 MYR 17 . SING C6 C7 no N 17 . 25411 MYR 18 . SING C6 H61 no N 18 . 25411 MYR 19 . SING C6 H62 no N 19 . 25411 MYR 20 . SING C7 C8 no N 20 . 25411 MYR 21 . SING C7 H71 no N 21 . 25411 MYR 22 . SING C7 H72 no N 22 . 25411 MYR 23 . SING C8 C9 no N 23 . 25411 MYR 24 . SING C8 H81 no N 24 . 25411 MYR 25 . SING C8 H82 no N 25 . 25411 MYR 26 . SING C9 C10 no N 26 . 25411 MYR 27 . SING C9 H91 no N 27 . 25411 MYR 28 . SING C9 H92 no N 28 . 25411 MYR 29 . SING C10 C11 no N 29 . 25411 MYR 30 . SING C10 H101 no N 30 . 25411 MYR 31 . SING C10 H102 no N 31 . 25411 MYR 32 . SING C11 C12 no N 32 . 25411 MYR 33 . SING C11 H111 no N 33 . 25411 MYR 34 . SING C11 H112 no N 34 . 25411 MYR 35 . SING C12 C13 no N 35 . 25411 MYR 36 . SING C12 H121 no N 36 . 25411 MYR 37 . SING C12 H122 no N 37 . 25411 MYR 38 . SING C13 C14 no N 38 . 25411 MYR 39 . SING C13 H131 no N 39 . 25411 MYR 40 . SING C13 H132 no N 40 . 25411 MYR 41 . SING C14 H141 no N 41 . 25411 MYR 42 . SING C14 H142 no N 42 . 25411 MYR 43 . SING C14 H143 no N 43 . 25411 MYR stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25411 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'the myristoyl residue is reverse-labeled' _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 MPMV_MA_T41I_T78I '[U-99% 13C; U-99% 15N, NA-MYR]' . . 1 $MPMV_MA_T41I_T78I . . . 0.4 0.7 mM . . . . 25411 1 2 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 25411 1 3 'sodium phosphate' 'natural abundance' . . . . . . 100 . . mM . . . . 25411 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25411 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25411 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 25411 _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' 1 . M 25411 1 pH 6 . pH 25411 1 pressure 1 . atm 25411 1 temperature 298 . K 25411 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 25411 _Software.ID 1 _Software.Name CcpNmr_Analysis _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25411 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25411 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25411 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25411 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25411 2 processing 25411 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25411 _Software.ID 3 _Software.Name X-PLOR_NIH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Brunger . . 25411 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25411 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 25411 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25411 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 25411 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 25411 _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 . . . . . . . . . . . . . . . . 25411 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25411 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25411 1 4 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25411 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25411 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25411 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25411 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25411 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25411 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 25411 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 2.7 external indirect 0.251449530 . . . . . . . . . 25411 1 H 1 DSS 'methyl protons' . . . . ppm 0.05 external direct 1.000000000 . . . . . . . . . 25411 1 N 15 DSS 'methyl protons' . . . . ppm 0.07 external indirect 0.101329118 . . . . . . . . . 25411 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 25411 _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' . . . 25411 1 2 '2D 1H-13C HSQC' . . . 25411 1 4 '3D HN(COCA)CB' . . . 25411 1 5 '3D HNCACB' . . . 25411 1 6 '3D HNCA' . . . 25411 1 7 '3D 1H-15N NOESY' . . . 25411 1 8 '3D 1H-13C NOESY' . . . 25411 1 9 '3D HCCH-TOCSY' . . . 25411 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CcpNmr_Analysis . . 25411 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 GLY HA2 H 1 3.707 0.003 . 1 . . . . 2 GLY HA2 . 25411 1 2 . 1 1 2 2 GLY HA3 H 1 3.707 0.003 . 1 . . . . 2 GLY HA3 . 25411 1 3 . 1 1 2 2 GLY CA C 13 48.510 0.030 . 1 . . . . 2 GLY CA . 25411 1 4 . 1 1 3 3 GLN H H 1 9.398 0.010 . 1 . . . . 3 GLN H . 25411 1 5 . 1 1 3 3 GLN HA H 1 3.888 0.025 . 1 . . . . 3 GLN HA . 25411 1 6 . 1 1 3 3 GLN HB2 H 1 1.926 0.016 . 2 . . . . 3 GLN HB2 . 25411 1 7 . 1 1 3 3 GLN HB3 H 1 1.785 0.025 . 2 . . . . 3 GLN HB3 . 25411 1 8 . 1 1 3 3 GLN CA C 13 58.742 0.248 . 1 . . . . 3 GLN CA . 25411 1 9 . 1 1 3 3 GLN CB C 13 28.383 0.405 . 1 . . . . 3 GLN CB . 25411 1 10 . 1 1 3 3 GLN CG C 13 33.613 0.030 . 1 . . . . 3 GLN CG . 25411 1 11 . 1 1 3 3 GLN N N 15 122.360 0.065 . 1 . . . . 3 GLN N . 25411 1 12 . 1 1 4 4 GLU H H 1 7.464 0.025 . 1 . . . . 4 GLU H . 25411 1 13 . 1 1 4 4 GLU HA H 1 4.674 0.031 . 1 . . . . 4 GLU HA . 25411 1 14 . 1 1 4 4 GLU HB2 H 1 2.713 0.003 . 1 . . . . 4 GLU HB2 . 25411 1 15 . 1 1 4 4 GLU HB3 H 1 2.713 0.003 . 1 . . . . 4 GLU HB3 . 25411 1 16 . 1 1 4 4 GLU CA C 13 57.807 1.853 . 1 . . . . 4 GLU CA . 25411 1 17 . 1 1 4 4 GLU CB C 13 28.700 0.133 . 1 . . . . 4 GLU CB . 25411 1 18 . 1 1 4 4 GLU N N 15 119.689 0.047 . 1 . . . . 4 GLU N . 25411 1 19 . 1 1 5 5 LEU H H 1 8.206 0.021 . 1 . . . . 5 LEU H . 25411 1 20 . 1 1 5 5 LEU HA H 1 3.701 0.014 . 1 . . . . 5 LEU HA . 25411 1 21 . 1 1 5 5 LEU HB2 H 1 1.430 0.061 . 2 . . . . 5 LEU HB2 . 25411 1 22 . 1 1 5 5 LEU HB3 H 1 1.338 0.018 . 2 . . . . 5 LEU HB3 . 25411 1 23 . 1 1 5 5 LEU HG H 1 0.989 0.010 . 1 . . . . 5 LEU HG . 25411 1 24 . 1 1 5 5 LEU HD11 H 1 0.824 0.040 . 1 . . . . 5 LEU MD1 . 25411 1 25 . 1 1 5 5 LEU HD12 H 1 0.824 0.040 . 1 . . . . 5 LEU MD1 . 25411 1 26 . 1 1 5 5 LEU HD13 H 1 0.824 0.040 . 1 . . . . 5 LEU MD1 . 25411 1 27 . 1 1 5 5 LEU HD21 H 1 0.824 0.040 . 1 . . . . 5 LEU MD2 . 25411 1 28 . 1 1 5 5 LEU HD22 H 1 0.824 0.040 . 1 . . . . 5 LEU MD2 . 25411 1 29 . 1 1 5 5 LEU HD23 H 1 0.824 0.040 . 1 . . . . 5 LEU MD2 . 25411 1 30 . 1 1 5 5 LEU CA C 13 57.738 0.261 . 1 . . . . 5 LEU CA . 25411 1 31 . 1 1 5 5 LEU CB C 13 40.815 0.099 . 1 . . . . 5 LEU CB . 25411 1 32 . 1 1 5 5 LEU CG C 13 25.109 0.251 . 1 . . . . 5 LEU CG . 25411 1 33 . 1 1 5 5 LEU CD1 C 13 22.333 0.030 . 1 . . . . 5 LEU CD1 . 25411 1 34 . 1 1 5 5 LEU CD2 C 13 22.333 0.030 . 1 . . . . 5 LEU CD2 . 25411 1 35 . 1 1 5 5 LEU N N 15 114.872 0.044 . 1 . . . . 5 LEU N . 25411 1 36 . 1 1 6 6 SER H H 1 8.253 0.015 . 1 . . . . 6 SER H . 25411 1 37 . 1 1 6 6 SER HA H 1 4.092 0.007 . 1 . . . . 6 SER HA . 25411 1 38 . 1 1 6 6 SER HB2 H 1 3.884 0.009 . 2 . . . . 6 SER HB2 . 25411 1 39 . 1 1 6 6 SER HB3 H 1 3.872 0.003 . 2 . . . . 6 SER HB3 . 25411 1 40 . 1 1 6 6 SER CA C 13 60.415 0.270 . 1 . . . . 6 SER CA . 25411 1 41 . 1 1 6 6 SER CB C 13 63.391 0.154 . 1 . . . . 6 SER CB . 25411 1 42 . 1 1 6 6 SER N N 15 109.762 0.048 . 1 . . . . 6 SER N . 25411 1 43 . 1 1 7 7 GLN H H 1 8.673 0.027 . 1 . . . . 7 GLN H . 25411 1 44 . 1 1 7 7 GLN HA H 1 3.955 0.007 . 1 . . . . 7 GLN HA . 25411 1 45 . 1 1 7 7 GLN HB2 H 1 2.048 0.006 . 1 . . . . 7 GLN HB2 . 25411 1 46 . 1 1 7 7 GLN HB3 H 1 2.048 0.006 . 1 . . . . 7 GLN HB3 . 25411 1 47 . 1 1 7 7 GLN CA C 13 58.425 0.014 . 1 . . . . 7 GLN CA . 25411 1 48 . 1 1 7 7 GLN CB C 13 28.739 0.325 . 1 . . . . 7 GLN CB . 25411 1 49 . 1 1 7 7 GLN CG C 13 36.006 0.030 . 1 . . . . 7 GLN CG . 25411 1 50 . 1 1 7 7 GLN N N 15 117.498 0.039 . 1 . . . . 7 GLN N . 25411 1 51 . 1 1 8 8 HIS HA H 1 3.797 0.020 . 1 . . . . 8 HIS HA . 25411 1 52 . 1 1 8 8 HIS HB2 H 1 1.925 0.003 . 1 . . . . 8 HIS HB2 . 25411 1 53 . 1 1 8 8 HIS HB3 H 1 1.925 0.003 . 1 . . . . 8 HIS HB3 . 25411 1 54 . 1 1 8 8 HIS CA C 13 59.055 0.030 . 1 . . . . 8 HIS CA . 25411 1 55 . 1 1 8 8 HIS CB C 13 29.109 0.030 . 1 . . . . 8 HIS CB . 25411 1 56 . 1 1 9 9 GLU H H 1 7.690 0.013 . 1 . . . . 9 GLU H . 25411 1 57 . 1 1 9 9 GLU HA H 1 3.959 0.025 . 1 . . . . 9 GLU HA . 25411 1 58 . 1 1 9 9 GLU HB2 H 1 1.967 0.014 . 2 . . . . 9 GLU HB2 . 25411 1 59 . 1 1 9 9 GLU HB3 H 1 2.043 0.018 . 2 . . . . 9 GLU HB3 . 25411 1 60 . 1 1 9 9 GLU HG2 H 1 2.305 0.027 . 1 . . . . 9 GLU HG2 . 25411 1 61 . 1 1 9 9 GLU HG3 H 1 2.305 0.027 . 1 . . . . 9 GLU HG3 . 25411 1 62 . 1 1 9 9 GLU CA C 13 60.258 0.247 . 1 . . . . 9 GLU CA . 25411 1 63 . 1 1 9 9 GLU CB C 13 29.227 0.274 . 1 . . . . 9 GLU CB . 25411 1 64 . 1 1 9 9 GLU CG C 13 36.057 0.045 . 1 . . . . 9 GLU CG . 25411 1 65 . 1 1 9 9 GLU N N 15 120.354 0.039 . 1 . . . . 9 GLU N . 25411 1 66 . 1 1 10 10 ARG H H 1 8.928 0.012 . 1 . . . . 10 ARG H . 25411 1 67 . 1 1 10 10 ARG HA H 1 4.099 0.018 . 1 . . . . 10 ARG HA . 25411 1 68 . 1 1 10 10 ARG HB2 H 1 1.876 0.030 . 1 . . . . 10 ARG HB2 . 25411 1 69 . 1 1 10 10 ARG HB3 H 1 1.876 0.030 . 1 . . . . 10 ARG HB3 . 25411 1 70 . 1 1 10 10 ARG HG2 H 1 1.601 0.029 . 1 . . . . 10 ARG HG2 . 25411 1 71 . 1 1 10 10 ARG HG3 H 1 1.601 0.029 . 1 . . . . 10 ARG HG3 . 25411 1 72 . 1 1 10 10 ARG CA C 13 58.221 0.276 . 1 . . . . 10 ARG CA . 25411 1 73 . 1 1 10 10 ARG CB C 13 29.095 0.008 . 1 . . . . 10 ARG CB . 25411 1 74 . 1 1 10 10 ARG CG C 13 27.609 0.030 . 1 . . . . 10 ARG CG . 25411 1 75 . 1 1 10 10 ARG CD C 13 41.999 0.030 . 1 . . . . 10 ARG CD . 25411 1 76 . 1 1 10 10 ARG N N 15 118.753 0.068 . 1 . . . . 10 ARG N . 25411 1 77 . 1 1 11 11 TYR H H 1 7.562 0.027 . 1 . . . . 11 TYR H . 25411 1 78 . 1 1 11 11 TYR HA H 1 4.189 0.025 . 1 . . . . 11 TYR HA . 25411 1 79 . 1 1 11 11 TYR HB2 H 1 3.279 0.047 . 2 . . . . 11 TYR HB2 . 25411 1 80 . 1 1 11 11 TYR HB3 H 1 3.011 0.015 . 2 . . . . 11 TYR HB3 . 25411 1 81 . 1 1 11 11 TYR CA C 13 61.236 0.302 . 1 . . . . 11 TYR CA . 25411 1 82 . 1 1 11 11 TYR CB C 13 37.861 0.282 . 1 . . . . 11 TYR CB . 25411 1 83 . 1 1 11 11 TYR N N 15 121.288 0.103 . 1 . . . . 11 TYR N . 25411 1 84 . 1 1 12 12 VAL H H 1 8.075 0.048 . 1 . . . . 12 VAL H . 25411 1 85 . 1 1 12 12 VAL HA H 1 3.083 0.018 . 1 . . . . 12 VAL HA . 25411 1 86 . 1 1 12 12 VAL HB H 1 2.064 0.021 . 1 . . . . 12 VAL HB . 25411 1 87 . 1 1 12 12 VAL HG11 H 1 0.601 0.012 . 2 . . . . 12 VAL MG1 . 25411 1 88 . 1 1 12 12 VAL HG12 H 1 0.601 0.012 . 2 . . . . 12 VAL MG1 . 25411 1 89 . 1 1 12 12 VAL HG13 H 1 0.601 0.012 . 2 . . . . 12 VAL MG1 . 25411 1 90 . 1 1 12 12 VAL HG21 H 1 1.118 0.024 . 2 . . . . 12 VAL MG2 . 25411 1 91 . 1 1 12 12 VAL HG22 H 1 1.118 0.024 . 2 . . . . 12 VAL MG2 . 25411 1 92 . 1 1 12 12 VAL HG23 H 1 1.118 0.024 . 2 . . . . 12 VAL MG2 . 25411 1 93 . 1 1 12 12 VAL CA C 13 66.835 0.240 . 1 . . . . 12 VAL CA . 25411 1 94 . 1 1 12 12 VAL CB C 13 31.099 0.252 . 1 . . . . 12 VAL CB . 25411 1 95 . 1 1 12 12 VAL CG1 C 13 23.574 0.099 . 2 . . . . 12 VAL CG1 . 25411 1 96 . 1 1 12 12 VAL CG2 C 13 21.025 0.264 . 2 . . . . 12 VAL CG2 . 25411 1 97 . 1 1 12 12 VAL N N 15 119.304 0.118 . 1 . . . . 12 VAL N . 25411 1 98 . 1 1 13 13 GLU H H 1 8.278 0.012 . 1 . . . . 13 GLU H . 25411 1 99 . 1 1 13 13 GLU HA H 1 4.155 0.031 . 1 . . . . 13 GLU HA . 25411 1 100 . 1 1 13 13 GLU HB2 H 1 2.020 0.003 . 1 . . . . 13 GLU HB2 . 25411 1 101 . 1 1 13 13 GLU HB3 H 1 2.020 0.003 . 1 . . . . 13 GLU HB3 . 25411 1 102 . 1 1 13 13 GLU CA C 13 59.425 0.197 . 1 . . . . 13 GLU CA . 25411 1 103 . 1 1 13 13 GLU CB C 13 29.188 0.124 . 1 . . . . 13 GLU CB . 25411 1 104 . 1 1 13 13 GLU N N 15 119.685 0.026 . 1 . . . . 13 GLU N . 25411 1 105 . 1 1 14 14 GLN H H 1 7.653 0.012 . 1 . . . . 14 GLN H . 25411 1 106 . 1 1 14 14 GLN HA H 1 3.656 0.017 . 1 . . . . 14 GLN HA . 25411 1 107 . 1 1 14 14 GLN HB2 H 1 1.887 0.025 . 2 . . . . 14 GLN HB2 . 25411 1 108 . 1 1 14 14 GLN HB3 H 1 2.188 0.017 . 2 . . . . 14 GLN HB3 . 25411 1 109 . 1 1 14 14 GLN HG2 H 1 2.551 0.009 . 2 . . . . 14 GLN HG2 . 25411 1 110 . 1 1 14 14 GLN HG3 H 1 2.529 0.005 . 2 . . . . 14 GLN HG3 . 25411 1 111 . 1 1 14 14 GLN CA C 13 59.969 0.268 . 1 . . . . 14 GLN CA . 25411 1 112 . 1 1 14 14 GLN CB C 13 29.673 0.254 . 1 . . . . 14 GLN CB . 25411 1 113 . 1 1 14 14 GLN CG C 13 36.883 0.285 . 1 . . . . 14 GLN CG . 25411 1 114 . 1 1 14 14 GLN N N 15 119.682 0.063 . 1 . . . . 14 GLN N . 25411 1 115 . 1 1 15 15 LEU H H 1 8.402 0.022 . 1 . . . . 15 LEU H . 25411 1 116 . 1 1 15 15 LEU HA H 1 3.921 0.024 . 1 . . . . 15 LEU HA . 25411 1 117 . 1 1 15 15 LEU HB2 H 1 1.715 0.029 . 2 . . . . 15 LEU HB2 . 25411 1 118 . 1 1 15 15 LEU HB3 H 1 1.817 0.010 . 2 . . . . 15 LEU HB3 . 25411 1 119 . 1 1 15 15 LEU HG H 1 1.804 0.003 . 1 . . . . 15 LEU HG . 25411 1 120 . 1 1 15 15 LEU HD11 H 1 0.327 0.018 . 2 . . . . 15 LEU MD1 . 25411 1 121 . 1 1 15 15 LEU HD12 H 1 0.327 0.018 . 2 . . . . 15 LEU MD1 . 25411 1 122 . 1 1 15 15 LEU HD13 H 1 0.327 0.018 . 2 . . . . 15 LEU MD1 . 25411 1 123 . 1 1 15 15 LEU HD21 H 1 0.773 0.050 . 2 . . . . 15 LEU MD2 . 25411 1 124 . 1 1 15 15 LEU HD22 H 1 0.773 0.050 . 2 . . . . 15 LEU MD2 . 25411 1 125 . 1 1 15 15 LEU HD23 H 1 0.773 0.050 . 2 . . . . 15 LEU MD2 . 25411 1 126 . 1 1 15 15 LEU CA C 13 58.455 0.030 . 1 . . . . 15 LEU CA . 25411 1 127 . 1 1 15 15 LEU CB C 13 40.760 0.030 . 1 . . . . 15 LEU CB . 25411 1 128 . 1 1 15 15 LEU CG C 13 25.500 0.548 . 1 . . . . 15 LEU CG . 25411 1 129 . 1 1 15 15 LEU CD1 C 13 21.885 0.235 . 1 . . . . 15 LEU CD1 . 25411 1 130 . 1 1 15 15 LEU CD2 C 13 21.885 0.235 . 1 . . . . 15 LEU CD2 . 25411 1 131 . 1 1 15 15 LEU N N 15 121.000 0.005 . 1 . . . . 15 LEU N . 25411 1 132 . 1 1 16 16 LYS HA H 1 3.696 0.028 . 1 . . . . 16 LYS HA . 25411 1 133 . 1 1 16 16 LYS HB2 H 1 1.770 0.020 . 1 . . . . 16 LYS HB2 . 25411 1 134 . 1 1 16 16 LYS HB3 H 1 1.770 0.020 . 1 . . . . 16 LYS HB3 . 25411 1 135 . 1 1 16 16 LYS HG2 H 1 1.314 0.027 . 1 . . . . 16 LYS HG2 . 25411 1 136 . 1 1 16 16 LYS HG3 H 1 1.314 0.027 . 1 . . . . 16 LYS HG3 . 25411 1 137 . 1 1 16 16 LYS HD2 H 1 1.664 0.021 . 1 . . . . 16 LYS HD2 . 25411 1 138 . 1 1 16 16 LYS HD3 H 1 1.664 0.021 . 1 . . . . 16 LYS HD3 . 25411 1 139 . 1 1 16 16 LYS HE2 H 1 2.892 0.053 . 1 . . . . 16 LYS HE2 . 25411 1 140 . 1 1 16 16 LYS HE3 H 1 2.892 0.053 . 1 . . . . 16 LYS HE3 . 25411 1 141 . 1 1 16 16 LYS CA C 13 60.258 0.258 . 1 . . . . 16 LYS CA . 25411 1 142 . 1 1 16 16 LYS CB C 13 32.135 0.221 . 1 . . . . 16 LYS CB . 25411 1 143 . 1 1 16 16 LYS CG C 13 25.103 0.250 . 1 . . . . 16 LYS CG . 25411 1 144 . 1 1 16 16 LYS CD C 13 29.206 0.284 . 1 . . . . 16 LYS CD . 25411 1 145 . 1 1 16 16 LYS CE C 13 41.199 0.139 . 1 . . . . 16 LYS CE . 25411 1 146 . 1 1 17 17 GLN H H 1 7.849 0.012 . 1 . . . . 17 GLN H . 25411 1 147 . 1 1 17 17 GLN HA H 1 3.887 0.048 . 1 . . . . 17 GLN HA . 25411 1 148 . 1 1 17 17 GLN HB2 H 1 2.067 0.056 . 1 . . . . 17 GLN HB2 . 25411 1 149 . 1 1 17 17 GLN HB3 H 1 2.067 0.056 . 1 . . . . 17 GLN HB3 . 25411 1 150 . 1 1 17 17 GLN HG2 H 1 2.397 0.011 . 2 . . . . 17 GLN HG2 . 25411 1 151 . 1 1 17 17 GLN HG3 H 1 2.193 0.025 . 2 . . . . 17 GLN HG3 . 25411 1 152 . 1 1 17 17 GLN CA C 13 58.442 0.050 . 1 . . . . 17 GLN CA . 25411 1 153 . 1 1 17 17 GLN CB C 13 28.045 0.146 . 1 . . . . 17 GLN CB . 25411 1 154 . 1 1 17 17 GLN CG C 13 33.315 0.252 . 1 . . . . 17 GLN CG . 25411 1 155 . 1 1 17 17 GLN N N 15 117.558 0.092 . 1 . . . . 17 GLN N . 25411 1 156 . 1 1 18 18 ALA H H 1 8.504 0.013 . 1 . . . . 18 ALA H . 25411 1 157 . 1 1 18 18 ALA HA H 1 3.788 0.012 . 1 . . . . 18 ALA HA . 25411 1 158 . 1 1 18 18 ALA HB1 H 1 1.324 0.018 . 1 . . . . 18 ALA MB . 25411 1 159 . 1 1 18 18 ALA HB2 H 1 1.324 0.018 . 1 . . . . 18 ALA MB . 25411 1 160 . 1 1 18 18 ALA HB3 H 1 1.324 0.018 . 1 . . . . 18 ALA MB . 25411 1 161 . 1 1 18 18 ALA CA C 13 54.893 0.269 . 1 . . . . 18 ALA CA . 25411 1 162 . 1 1 18 18 ALA CB C 13 17.396 0.240 . 1 . . . . 18 ALA CB . 25411 1 163 . 1 1 18 18 ALA N N 15 120.288 0.018 . 1 . . . . 18 ALA N . 25411 1 164 . 1 1 19 19 LEU H H 1 8.143 0.017 . 1 . . . . 19 LEU H . 25411 1 165 . 1 1 19 19 LEU HA H 1 3.759 0.030 . 1 . . . . 19 LEU HA . 25411 1 166 . 1 1 19 19 LEU HB2 H 1 1.413 0.031 . 1 . . . . 19 LEU HB2 . 25411 1 167 . 1 1 19 19 LEU HB3 H 1 1.413 0.031 . 1 . . . . 19 LEU HB3 . 25411 1 168 . 1 1 19 19 LEU HD11 H 1 0.605 0.016 . 1 . . . . 19 LEU MD1 . 25411 1 169 . 1 1 19 19 LEU HD12 H 1 0.605 0.016 . 1 . . . . 19 LEU MD1 . 25411 1 170 . 1 1 19 19 LEU HD13 H 1 0.605 0.016 . 1 . . . . 19 LEU MD1 . 25411 1 171 . 1 1 19 19 LEU HD21 H 1 0.605 0.016 . 1 . . . . 19 LEU MD2 . 25411 1 172 . 1 1 19 19 LEU HD22 H 1 0.605 0.016 . 1 . . . . 19 LEU MD2 . 25411 1 173 . 1 1 19 19 LEU HD23 H 1 0.605 0.016 . 1 . . . . 19 LEU MD2 . 25411 1 174 . 1 1 19 19 LEU CA C 13 57.552 0.288 . 1 . . . . 19 LEU CA . 25411 1 175 . 1 1 19 19 LEU CB C 13 40.693 0.025 . 1 . . . . 19 LEU CB . 25411 1 176 . 1 1 19 19 LEU CG C 13 25.214 0.003 . 1 . . . . 19 LEU CG . 25411 1 177 . 1 1 19 19 LEU CD1 C 13 22.080 0.235 . 2 . . . . 19 LEU CD1 . 25411 1 178 . 1 1 19 19 LEU CD2 C 13 19.890 0.030 . 2 . . . . 19 LEU CD2 . 25411 1 179 . 1 1 19 19 LEU N N 15 116.974 0.098 . 1 . . . . 19 LEU N . 25411 1 180 . 1 1 20 20 LYS H H 1 8.340 0.015 . 1 . . . . 20 LYS H . 25411 1 181 . 1 1 20 20 LYS HA H 1 3.955 0.003 . 1 . . . . 20 LYS HA . 25411 1 182 . 1 1 20 20 LYS HB2 H 1 1.986 0.003 . 1 . . . . 20 LYS HB2 . 25411 1 183 . 1 1 20 20 LYS HB3 H 1 1.986 0.003 . 1 . . . . 20 LYS HB3 . 25411 1 184 . 1 1 20 20 LYS CA C 13 59.544 0.963 . 1 . . . . 20 LYS CA . 25411 1 185 . 1 1 20 20 LYS CB C 13 30.486 1.669 . 1 . . . . 20 LYS CB . 25411 1 186 . 1 1 20 20 LYS N N 15 117.776 0.062 . 1 . . . . 20 LYS N . 25411 1 187 . 1 1 21 21 THR H H 1 7.302 0.020 . 1 . . . . 21 THR H . 25411 1 188 . 1 1 21 21 THR HA H 1 4.107 0.015 . 1 . . . . 21 THR HA . 25411 1 189 . 1 1 21 21 THR HB H 1 4.249 0.024 . 1 . . . . 21 THR HB . 25411 1 190 . 1 1 21 21 THR HG21 H 1 1.338 0.023 . 1 . . . . 21 THR HG21 . 25411 1 191 . 1 1 21 21 THR HG22 H 1 1.338 0.023 . 1 . . . . 21 THR HG22 . 25411 1 192 . 1 1 21 21 THR HG23 H 1 1.338 0.023 . 1 . . . . 21 THR HG23 . 25411 1 193 . 1 1 21 21 THR CA C 13 64.611 0.308 . 1 . . . . 21 THR CA . 25411 1 194 . 1 1 21 21 THR CB C 13 68.811 0.304 . 1 . . . . 21 THR CB . 25411 1 195 . 1 1 21 21 THR CG2 C 13 20.963 0.185 . 1 . . . . 21 THR CG2 . 25411 1 196 . 1 1 21 21 THR N N 15 116.373 0.061 . 1 . . . . 21 THR N . 25411 1 197 . 1 1 22 22 ARG H H 1 7.290 0.009 . 1 . . . . 22 ARG H . 25411 1 198 . 1 1 22 22 ARG HA H 1 4.362 0.019 . 1 . . . . 22 ARG HA . 25411 1 199 . 1 1 22 22 ARG HB2 H 1 2.032 0.028 . 2 . . . . 22 ARG HB2 . 25411 1 200 . 1 1 22 22 ARG HB3 H 1 1.655 0.036 . 2 . . . . 22 ARG HB3 . 25411 1 201 . 1 1 22 22 ARG HD2 H 1 3.137 0.019 . 1 . . . . 22 ARG HD2 . 25411 1 202 . 1 1 22 22 ARG HD3 H 1 3.137 0.019 . 1 . . . . 22 ARG HD3 . 25411 1 203 . 1 1 22 22 ARG CA C 13 54.065 0.278 . 1 . . . . 22 ARG CA . 25411 1 204 . 1 1 22 22 ARG CB C 13 29.528 0.152 . 1 . . . . 22 ARG CB . 25411 1 205 . 1 1 22 22 ARG CG C 13 26.374 0.030 . 1 . . . . 22 ARG CG . 25411 1 206 . 1 1 22 22 ARG CD C 13 41.481 0.030 . 1 . . . . 22 ARG CD . 25411 1 207 . 1 1 22 22 ARG N N 15 118.647 0.072 . 1 . . . . 22 ARG N . 25411 1 208 . 1 1 23 23 GLY H H 1 7.881 0.009 . 1 . . . . 23 GLY H . 25411 1 209 . 1 1 23 23 GLY HA2 H 1 3.858 0.044 . 1 . . . . 23 GLY HA2 . 25411 1 210 . 1 1 23 23 GLY HA3 H 1 3.858 0.044 . 1 . . . . 23 GLY HA3 . 25411 1 211 . 1 1 23 23 GLY CA C 13 46.112 0.088 . 1 . . . . 23 GLY CA . 25411 1 212 . 1 1 23 23 GLY N N 15 108.637 0.080 . 1 . . . . 23 GLY N . 25411 1 213 . 1 1 24 24 VAL H H 1 7.333 0.003 . 1 . . . . 24 VAL H . 25411 1 214 . 1 1 24 24 VAL HA H 1 4.014 0.021 . 1 . . . . 24 VAL HA . 25411 1 215 . 1 1 24 24 VAL HB H 1 1.942 0.025 . 1 . . . . 24 VAL HB . 25411 1 216 . 1 1 24 24 VAL HG11 H 1 0.832 0.017 . 2 . . . . 24 VAL MG1 . 25411 1 217 . 1 1 24 24 VAL HG12 H 1 0.832 0.017 . 2 . . . . 24 VAL MG1 . 25411 1 218 . 1 1 24 24 VAL HG13 H 1 0.832 0.017 . 2 . . . . 24 VAL MG1 . 25411 1 219 . 1 1 24 24 VAL HG21 H 1 0.870 0.043 . 2 . . . . 24 VAL MG2 . 25411 1 220 . 1 1 24 24 VAL HG22 H 1 0.870 0.043 . 2 . . . . 24 VAL MG2 . 25411 1 221 . 1 1 24 24 VAL HG23 H 1 0.870 0.043 . 2 . . . . 24 VAL MG2 . 25411 1 222 . 1 1 24 24 VAL CA C 13 61.668 0.263 . 1 . . . . 24 VAL CA . 25411 1 223 . 1 1 24 24 VAL CB C 13 32.372 0.243 . 1 . . . . 24 VAL CB . 25411 1 224 . 1 1 24 24 VAL CG1 C 13 21.262 0.261 . 2 . . . . 24 VAL CG1 . 25411 1 225 . 1 1 24 24 VAL CG2 C 13 25.461 0.030 . 2 . . . . 24 VAL CG2 . 25411 1 226 . 1 1 24 24 VAL N N 15 117.390 0.155 . 1 . . . . 24 VAL N . 25411 1 227 . 1 1 25 25 LYS H H 1 8.722 0.012 . 1 . . . . 25 LYS H . 25411 1 228 . 1 1 25 25 LYS HA H 1 4.332 0.029 . 1 . . . . 25 LYS HA . 25411 1 229 . 1 1 25 25 LYS HB2 H 1 1.648 0.006 . 2 . . . . 25 LYS HB2 . 25411 1 230 . 1 1 25 25 LYS HB3 H 1 2.093 0.018 . 2 . . . . 25 LYS HB3 . 25411 1 231 . 1 1 25 25 LYS HG2 H 1 1.392 0.050 . 1 . . . . 25 LYS HG2 . 25411 1 232 . 1 1 25 25 LYS HG3 H 1 1.392 0.050 . 1 . . . . 25 LYS HG3 . 25411 1 233 . 1 1 25 25 LYS HD2 H 1 1.620 0.056 . 2 . . . . 25 LYS HD2 . 25411 1 234 . 1 1 25 25 LYS HD3 H 1 1.531 0.003 . 2 . . . . 25 LYS HD3 . 25411 1 235 . 1 1 25 25 LYS HE2 H 1 2.931 0.023 . 2 . . . . 25 LYS HE2 . 25411 1 236 . 1 1 25 25 LYS HE3 H 1 3.089 0.057 . 2 . . . . 25 LYS HE3 . 25411 1 237 . 1 1 25 25 LYS CA C 13 55.762 0.240 . 1 . . . . 25 LYS CA . 25411 1 238 . 1 1 25 25 LYS CB C 13 31.761 0.025 . 1 . . . . 25 LYS CB . 25411 1 239 . 1 1 25 25 LYS CG C 13 24.569 0.140 . 1 . . . . 25 LYS CG . 25411 1 240 . 1 1 25 25 LYS CD C 13 27.976 0.025 . 1 . . . . 25 LYS CD . 25411 1 241 . 1 1 25 25 LYS CE C 13 41.806 0.239 . 1 . . . . 25 LYS CE . 25411 1 242 . 1 1 25 25 LYS N N 15 127.322 0.170 . 1 . . . . 25 LYS N . 25411 1 243 . 1 1 26 26 VAL H H 1 7.119 0.073 . 1 . . . . 26 VAL H . 25411 1 244 . 1 1 26 26 VAL HA H 1 4.078 0.032 . 1 . . . . 26 VAL HA . 25411 1 245 . 1 1 26 26 VAL HB H 1 1.754 0.025 . 1 . . . . 26 VAL HB . 25411 1 246 . 1 1 26 26 VAL HG11 H 1 0.676 0.006 . 2 . . . . 26 VAL MG1 . 25411 1 247 . 1 1 26 26 VAL HG12 H 1 0.676 0.006 . 2 . . . . 26 VAL MG1 . 25411 1 248 . 1 1 26 26 VAL HG13 H 1 0.676 0.006 . 2 . . . . 26 VAL MG1 . 25411 1 249 . 1 1 26 26 VAL HG21 H 1 0.712 0.042 . 2 . . . . 26 VAL MG2 . 25411 1 250 . 1 1 26 26 VAL HG22 H 1 0.712 0.042 . 2 . . . . 26 VAL MG2 . 25411 1 251 . 1 1 26 26 VAL HG23 H 1 0.712 0.042 . 2 . . . . 26 VAL MG2 . 25411 1 252 . 1 1 26 26 VAL CA C 13 60.665 0.048 . 1 . . . . 26 VAL CA . 25411 1 253 . 1 1 26 26 VAL CB C 13 33.647 0.267 . 1 . . . . 26 VAL CB . 25411 1 254 . 1 1 26 26 VAL CG1 C 13 23.160 0.030 . 2 . . . . 26 VAL CG1 . 25411 1 255 . 1 1 26 26 VAL CG2 C 13 21.031 0.234 . 2 . . . . 26 VAL CG2 . 25411 1 256 . 1 1 26 26 VAL N N 15 120.568 0.129 . 1 . . . . 26 VAL N . 25411 1 257 . 1 1 27 27 LYS H H 1 8.570 0.008 . 1 . . . . 27 LYS H . 25411 1 258 . 1 1 27 27 LYS HA H 1 4.326 0.026 . 1 . . . . 27 LYS HA . 25411 1 259 . 1 1 27 27 LYS HB2 H 1 1.654 0.011 . 1 . . . . 27 LYS HB2 . 25411 1 260 . 1 1 27 27 LYS HB3 H 1 1.654 0.011 . 1 . . . . 27 LYS HB3 . 25411 1 261 . 1 1 27 27 LYS HG2 H 1 1.387 0.018 . 1 . . . . 27 LYS HG2 . 25411 1 262 . 1 1 27 27 LYS HG3 H 1 1.387 0.018 . 1 . . . . 27 LYS HG3 . 25411 1 263 . 1 1 27 27 LYS HD2 H 1 1.621 0.006 . 1 . . . . 27 LYS HD2 . 25411 1 264 . 1 1 27 27 LYS HD3 H 1 1.621 0.006 . 1 . . . . 27 LYS HD3 . 25411 1 265 . 1 1 27 27 LYS HE2 H 1 2.930 0.012 . 1 . . . . 27 LYS HE2 . 25411 1 266 . 1 1 27 27 LYS HE3 H 1 2.930 0.012 . 1 . . . . 27 LYS HE3 . 25411 1 267 . 1 1 27 27 LYS CA C 13 55.411 0.046 . 1 . . . . 27 LYS CA . 25411 1 268 . 1 1 27 27 LYS CB C 13 31.959 0.267 . 1 . . . . 27 LYS CB . 25411 1 269 . 1 1 27 27 LYS CG C 13 24.581 0.027 . 1 . . . . 27 LYS CG . 25411 1 270 . 1 1 27 27 LYS CD C 13 28.791 0.257 . 1 . . . . 27 LYS CD . 25411 1 271 . 1 1 27 27 LYS CE C 13 41.952 0.017 . 1 . . . . 27 LYS CE . 25411 1 272 . 1 1 27 27 LYS N N 15 125.675 0.086 . 1 . . . . 27 LYS N . 25411 1 273 . 1 1 28 28 TYR HA H 1 4.017 0.046 . 1 . . . . 28 TYR HA . 25411 1 274 . 1 1 28 28 TYR HB2 H 1 2.920 0.003 . 1 . . . . 28 TYR HB2 . 25411 1 275 . 1 1 28 28 TYR HB3 H 1 2.920 0.003 . 1 . . . . 28 TYR HB3 . 25411 1 276 . 1 1 28 28 TYR CA C 13 56.412 0.030 . 1 . . . . 28 TYR CA . 25411 1 277 . 1 1 28 28 TYR CB C 13 40.840 0.030 . 1 . . . . 28 TYR CB . 25411 1 278 . 1 1 29 29 ALA H H 1 8.323 0.008 . 1 . . . . 29 ALA H . 25411 1 279 . 1 1 29 29 ALA HA H 1 3.668 0.029 . 1 . . . . 29 ALA HA . 25411 1 280 . 1 1 29 29 ALA HB1 H 1 1.163 0.021 . 1 . . . . 29 ALA MB . 25411 1 281 . 1 1 29 29 ALA HB2 H 1 1.163 0.021 . 1 . . . . 29 ALA MB . 25411 1 282 . 1 1 29 29 ALA HB3 H 1 1.163 0.021 . 1 . . . . 29 ALA MB . 25411 1 283 . 1 1 29 29 ALA CA C 13 54.678 0.325 . 1 . . . . 29 ALA CA . 25411 1 284 . 1 1 29 29 ALA CB C 13 18.000 0.319 . 1 . . . . 29 ALA CB . 25411 1 285 . 1 1 29 29 ALA N N 15 120.743 0.140 . 1 . . . . 29 ALA N . 25411 1 286 . 1 1 30 30 ASP H H 1 6.872 0.012 . 1 . . . . 30 ASP H . 25411 1 287 . 1 1 30 30 ASP HA H 1 4.281 0.059 . 1 . . . . 30 ASP HA . 25411 1 288 . 1 1 30 30 ASP HB2 H 1 2.699 0.035 . 2 . . . . 30 ASP HB2 . 25411 1 289 . 1 1 30 30 ASP HB3 H 1 2.718 0.014 . 2 . . . . 30 ASP HB3 . 25411 1 290 . 1 1 30 30 ASP CA C 13 56.553 0.123 . 1 . . . . 30 ASP CA . 25411 1 291 . 1 1 30 30 ASP CB C 13 39.807 0.314 . 1 . . . . 30 ASP CB . 25411 1 292 . 1 1 30 30 ASP N N 15 117.202 0.053 . 1 . . . . 30 ASP N . 25411 1 293 . 1 1 31 31 LEU H H 1 7.433 0.015 . 1 . . . . 31 LEU H . 25411 1 294 . 1 1 31 31 LEU HA H 1 3.546 0.009 . 1 . . . . 31 LEU HA . 25411 1 295 . 1 1 31 31 LEU HB2 H 1 1.801 0.002 . 1 . . . . 31 LEU HB2 . 25411 1 296 . 1 1 31 31 LEU HB3 H 1 1.801 0.002 . 1 . . . . 31 LEU HB3 . 25411 1 297 . 1 1 31 31 LEU CA C 13 56.725 0.304 . 1 . . . . 31 LEU CA . 25411 1 298 . 1 1 31 31 LEU CB C 13 40.658 0.030 . 1 . . . . 31 LEU CB . 25411 1 299 . 1 1 31 31 LEU CG C 13 24.766 0.030 . 1 . . . . 31 LEU CG . 25411 1 300 . 1 1 31 31 LEU CD1 C 13 21.986 0.030 . 1 . . . . 31 LEU CD1 . 25411 1 301 . 1 1 31 31 LEU CD2 C 13 21.986 0.030 . 1 . . . . 31 LEU CD2 . 25411 1 302 . 1 1 31 31 LEU N N 15 122.273 0.131 . 1 . . . . 31 LEU N . 25411 1 303 . 1 1 32 32 LEU H H 1 8.727 0.016 . 1 . . . . 32 LEU H . 25411 1 304 . 1 1 32 32 LEU HA H 1 3.615 0.012 . 1 . . . . 32 LEU HA . 25411 1 305 . 1 1 32 32 LEU HB2 H 1 1.659 0.022 . 1 . . . . 32 LEU HB2 . 25411 1 306 . 1 1 32 32 LEU HB3 H 1 1.659 0.022 . 1 . . . . 32 LEU HB3 . 25411 1 307 . 1 1 32 32 LEU CA C 13 58.096 0.315 . 1 . . . . 32 LEU CA . 25411 1 308 . 1 1 32 32 LEU CB C 13 40.542 0.070 . 1 . . . . 32 LEU CB . 25411 1 309 . 1 1 32 32 LEU CG C 13 25.499 0.030 . 1 . . . . 32 LEU CG . 25411 1 310 . 1 1 32 32 LEU CD1 C 13 21.989 0.030 . 1 . . . . 32 LEU CD1 . 25411 1 311 . 1 1 32 32 LEU CD2 C 13 21.989 0.030 . 1 . . . . 32 LEU CD2 . 25411 1 312 . 1 1 32 32 LEU N N 15 123.376 0.077 . 1 . . . . 32 LEU N . 25411 1 313 . 1 1 33 33 LYS H H 1 7.149 0.013 . 1 . . . . 33 LYS H . 25411 1 314 . 1 1 33 33 LYS HA H 1 4.213 0.026 . 1 . . . . 33 LYS HA . 25411 1 315 . 1 1 33 33 LYS HB2 H 1 1.891 0.011 . 2 . . . . 33 LYS HB2 . 25411 1 316 . 1 1 33 33 LYS HB3 H 1 1.479 0.002 . 2 . . . . 33 LYS HB3 . 25411 1 317 . 1 1 33 33 LYS HG2 H 1 1.387 0.041 . 1 . . . . 33 LYS HG2 . 25411 1 318 . 1 1 33 33 LYS HG3 H 1 1.387 0.041 . 1 . . . . 33 LYS HG3 . 25411 1 319 . 1 1 33 33 LYS HD2 H 1 1.599 0.048 . 2 . . . . 33 LYS HD2 . 25411 1 320 . 1 1 33 33 LYS HD3 H 1 1.519 0.003 . 2 . . . . 33 LYS HD3 . 25411 1 321 . 1 1 33 33 LYS HE2 H 1 2.981 0.039 . 1 . . . . 33 LYS HE2 . 25411 1 322 . 1 1 33 33 LYS HE3 H 1 2.981 0.039 . 1 . . . . 33 LYS HE3 . 25411 1 323 . 1 1 33 33 LYS CA C 13 59.098 0.291 . 1 . . . . 33 LYS CA . 25411 1 324 . 1 1 33 33 LYS CB C 13 31.890 0.219 . 1 . . . . 33 LYS CB . 25411 1 325 . 1 1 33 33 LYS CG C 13 25.034 0.179 . 1 . . . . 33 LYS CG . 25411 1 326 . 1 1 33 33 LYS CD C 13 28.316 0.088 . 1 . . . . 33 LYS CD . 25411 1 327 . 1 1 33 33 LYS CE C 13 42.389 0.026 . 1 . . . . 33 LYS CE . 25411 1 328 . 1 1 33 33 LYS N N 15 118.078 0.061 . 1 . . . . 33 LYS N . 25411 1 329 . 1 1 34 34 PHE H H 1 7.633 0.022 . 1 . . . . 34 PHE H . 25411 1 330 . 1 1 34 34 PHE CA C 13 56.695 0.030 . 1 . . . . 34 PHE CA . 25411 1 331 . 1 1 34 34 PHE CB C 13 41.219 0.030 . 1 . . . . 34 PHE CB . 25411 1 332 . 1 1 34 34 PHE N N 15 117.398 0.085 . 1 . . . . 34 PHE N . 25411 1 333 . 1 1 35 35 PHE HA H 1 3.793 0.026 . 1 . . . . 35 PHE HA . 25411 1 334 . 1 1 35 35 PHE HB2 H 1 2.967 0.001 . 2 . . . . 35 PHE HB2 . 25411 1 335 . 1 1 35 35 PHE HB3 H 1 2.898 0.022 . 2 . . . . 35 PHE HB3 . 25411 1 336 . 1 1 35 35 PHE CA C 13 61.592 0.283 . 1 . . . . 35 PHE CA . 25411 1 337 . 1 1 35 35 PHE CB C 13 37.014 0.328 . 1 . . . . 35 PHE CB . 25411 1 338 . 1 1 36 36 ASP H H 1 8.330 0.010 . 1 . . . . 36 ASP H . 25411 1 339 . 1 1 36 36 ASP HA H 1 4.096 0.022 . 1 . . . . 36 ASP HA . 25411 1 340 . 1 1 36 36 ASP HB2 H 1 2.931 0.003 . 1 . . . . 36 ASP HB2 . 25411 1 341 . 1 1 36 36 ASP HB3 H 1 2.931 0.003 . 1 . . . . 36 ASP HB3 . 25411 1 342 . 1 1 36 36 ASP CA C 13 56.941 0.200 . 1 . . . . 36 ASP CA . 25411 1 343 . 1 1 36 36 ASP CB C 13 39.104 0.044 . 1 . . . . 36 ASP CB . 25411 1 344 . 1 1 36 36 ASP N N 15 120.136 0.050 . 1 . . . . 36 ASP N . 25411 1 345 . 1 1 37 37 PHE H H 1 7.794 0.008 . 1 . . . . 37 PHE H . 25411 1 346 . 1 1 37 37 PHE HA H 1 4.258 0.019 . 1 . . . . 37 PHE HA . 25411 1 347 . 1 1 37 37 PHE HB2 H 1 2.742 0.043 . 2 . . . . 37 PHE HB2 . 25411 1 348 . 1 1 37 37 PHE HB3 H 1 3.272 0.045 . 2 . . . . 37 PHE HB3 . 25411 1 349 . 1 1 37 37 PHE CA C 13 59.698 1.432 . 1 . . . . 37 PHE CA . 25411 1 350 . 1 1 37 37 PHE CB C 13 40.185 1.632 . 1 . . . . 37 PHE CB . 25411 1 351 . 1 1 37 37 PHE N N 15 121.883 0.065 . 1 . . . . 37 PHE N . 25411 1 352 . 1 1 38 38 VAL H H 1 8.262 0.028 . 1 . . . . 38 VAL H . 25411 1 353 . 1 1 38 38 VAL HA H 1 3.039 0.026 . 1 . . . . 38 VAL HA . 25411 1 354 . 1 1 38 38 VAL HB H 1 2.227 0.014 . 1 . . . . 38 VAL HB . 25411 1 355 . 1 1 38 38 VAL HG11 H 1 0.650 0.012 . 2 . . . . 38 VAL MG1 . 25411 1 356 . 1 1 38 38 VAL HG12 H 1 0.650 0.012 . 2 . . . . 38 VAL MG1 . 25411 1 357 . 1 1 38 38 VAL HG13 H 1 0.650 0.012 . 2 . . . . 38 VAL MG1 . 25411 1 358 . 1 1 38 38 VAL HG21 H 1 0.488 0.019 . 2 . . . . 38 VAL MG2 . 25411 1 359 . 1 1 38 38 VAL HG22 H 1 0.488 0.019 . 2 . . . . 38 VAL MG2 . 25411 1 360 . 1 1 38 38 VAL HG23 H 1 0.488 0.019 . 2 . . . . 38 VAL MG2 . 25411 1 361 . 1 1 38 38 VAL CA C 13 66.882 0.255 . 1 . . . . 38 VAL CA . 25411 1 362 . 1 1 38 38 VAL CB C 13 30.688 0.260 . 1 . . . . 38 VAL CB . 25411 1 363 . 1 1 38 38 VAL CG1 C 13 23.710 0.247 . 2 . . . . 38 VAL CG1 . 25411 1 364 . 1 1 38 38 VAL CG2 C 13 20.759 0.075 . 2 . . . . 38 VAL CG2 . 25411 1 365 . 1 1 38 38 VAL N N 15 118.525 0.098 . 1 . . . . 38 VAL N . 25411 1 366 . 1 1 39 39 LYS HA H 1 3.456 0.014 . 1 . . . . 39 LYS HA . 25411 1 367 . 1 1 39 39 LYS HB2 H 1 1.978 0.006 . 1 . . . . 39 LYS HB2 . 25411 1 368 . 1 1 39 39 LYS HB3 H 1 1.978 0.006 . 1 . . . . 39 LYS HB3 . 25411 1 369 . 1 1 39 39 LYS HG2 H 1 1.400 0.049 . 1 . . . . 39 LYS HG2 . 25411 1 370 . 1 1 39 39 LYS HG3 H 1 1.400 0.049 . 1 . . . . 39 LYS HG3 . 25411 1 371 . 1 1 39 39 LYS CA C 13 59.054 0.296 . 1 . . . . 39 LYS CA . 25411 1 372 . 1 1 39 39 LYS CB C 13 31.696 0.287 . 1 . . . . 39 LYS CB . 25411 1 373 . 1 1 39 39 LYS CG C 13 24.948 0.189 . 1 . . . . 39 LYS CG . 25411 1 374 . 1 1 39 39 LYS CD C 13 29.451 0.124 . 1 . . . . 39 LYS CD . 25411 1 375 . 1 1 39 39 LYS CE C 13 42.279 0.013 . 1 . . . . 39 LYS CE . 25411 1 376 . 1 1 40 40 ASP HA H 1 4.445 0.041 . 1 . . . . 40 ASP HA . 25411 1 377 . 1 1 40 40 ASP HB2 H 1 2.623 0.024 . 2 . . . . 40 ASP HB2 . 25411 1 378 . 1 1 40 40 ASP HB3 H 1 2.684 0.003 . 2 . . . . 40 ASP HB3 . 25411 1 379 . 1 1 40 40 ASP CA C 13 56.985 0.560 . 1 . . . . 40 ASP CA . 25411 1 380 . 1 1 40 40 ASP CB C 13 40.692 0.300 . 1 . . . . 40 ASP CB . 25411 1 381 . 1 1 41 41 ILE H H 1 8.788 0.007 . 1 . . . . 41 ILE H . 25411 1 382 . 1 1 41 41 ILE HA H 1 4.025 0.023 . 1 . . . . 41 ILE HA . 25411 1 383 . 1 1 41 41 ILE HB H 1 1.698 0.045 . 1 . . . . 41 ILE HB . 25411 1 384 . 1 1 41 41 ILE HG12 H 1 0.917 0.033 . 2 . . . . 41 ILE HG12 . 25411 1 385 . 1 1 41 41 ILE HG13 H 1 1.036 0.034 . 2 . . . . 41 ILE HG13 . 25411 1 386 . 1 1 41 41 ILE HG21 H 1 0.732 0.013 . 1 . . . . 41 ILE MG . 25411 1 387 . 1 1 41 41 ILE HG22 H 1 0.732 0.013 . 1 . . . . 41 ILE MG . 25411 1 388 . 1 1 41 41 ILE HG23 H 1 0.732 0.013 . 1 . . . . 41 ILE MG . 25411 1 389 . 1 1 41 41 ILE HD11 H 1 0.683 0.007 . 1 . . . . 41 ILE MD . 25411 1 390 . 1 1 41 41 ILE HD12 H 1 0.683 0.007 . 1 . . . . 41 ILE MD . 25411 1 391 . 1 1 41 41 ILE HD13 H 1 0.683 0.007 . 1 . . . . 41 ILE MD . 25411 1 392 . 1 1 41 41 ILE CA C 13 61.652 0.295 . 1 . . . . 41 ILE CA . 25411 1 393 . 1 1 41 41 ILE CB C 13 38.064 0.057 . 1 . . . . 41 ILE CB . 25411 1 394 . 1 1 41 41 ILE CG1 C 13 27.809 0.055 . 1 . . . . 41 ILE CG1 . 25411 1 395 . 1 1 41 41 ILE CG2 C 13 17.470 0.231 . 1 . . . . 41 ILE CG2 . 25411 1 396 . 1 1 41 41 ILE CD1 C 13 13.714 0.227 . 1 . . . . 41 ILE CD1 . 25411 1 397 . 1 1 41 41 ILE N N 15 120.641 0.099 . 1 . . . . 41 ILE N . 25411 1 398 . 1 1 42 42 CYS H H 1 7.180 0.035 . 1 . . . . 42 CYS H . 25411 1 399 . 1 1 42 42 CYS CA C 13 56.172 0.030 . 1 . . . . 42 CYS CA . 25411 1 400 . 1 1 42 42 CYS CB C 13 28.324 0.030 . 1 . . . . 42 CYS CB . 25411 1 401 . 1 1 42 42 CYS N N 15 117.896 0.077 . 1 . . . . 42 CYS N . 25411 1 402 . 1 1 43 43 PRO HA H 1 4.315 0.013 . 1 . . . . 43 PRO HA . 25411 1 403 . 1 1 43 43 PRO HB2 H 1 2.114 0.034 . 2 . . . . 43 PRO HB2 . 25411 1 404 . 1 1 43 43 PRO HB3 H 1 2.423 0.031 . 2 . . . . 43 PRO HB3 . 25411 1 405 . 1 1 43 43 PRO HG2 H 1 1.922 0.011 . 2 . . . . 43 PRO HG2 . 25411 1 406 . 1 1 43 43 PRO HG3 H 1 2.074 0.024 . 2 . . . . 43 PRO HG3 . 25411 1 407 . 1 1 43 43 PRO HD2 H 1 3.889 0.015 . 1 . . . . 43 PRO HD2 . 25411 1 408 . 1 1 43 43 PRO HD3 H 1 3.889 0.015 . 1 . . . . 43 PRO HD3 . 25411 1 409 . 1 1 43 43 PRO CA C 13 65.003 0.254 . 1 . . . . 43 PRO CA . 25411 1 410 . 1 1 43 43 PRO CB C 13 30.715 0.401 . 1 . . . . 43 PRO CB . 25411 1 411 . 1 1 43 43 PRO CG C 13 26.956 0.259 . 1 . . . . 43 PRO CG . 25411 1 412 . 1 1 43 43 PRO CD C 13 50.941 0.262 . 1 . . . . 43 PRO CD . 25411 1 413 . 1 1 44 44 TRP H H 1 6.591 0.021 . 1 . . . . 44 TRP H . 25411 1 414 . 1 1 44 44 TRP HA H 1 4.305 0.006 . 1 . . . . 44 TRP HA . 25411 1 415 . 1 1 44 44 TRP HB2 H 1 3.055 0.003 . 1 . . . . 44 TRP HB2 . 25411 1 416 . 1 1 44 44 TRP HB3 H 1 3.055 0.003 . 1 . . . . 44 TRP HB3 . 25411 1 417 . 1 1 44 44 TRP CA C 13 55.398 0.020 . 1 . . . . 44 TRP CA . 25411 1 418 . 1 1 44 44 TRP CB C 13 27.811 0.024 . 1 . . . . 44 TRP CB . 25411 1 419 . 1 1 44 44 TRP N N 15 113.823 0.043 . 1 . . . . 44 TRP N . 25411 1 420 . 1 1 45 45 PHE H H 1 7.239 0.007 . 1 . . . . 45 PHE H . 25411 1 421 . 1 1 45 45 PHE HA H 1 4.001 0.012 . 1 . . . . 45 PHE HA . 25411 1 422 . 1 1 45 45 PHE HB2 H 1 2.608 0.052 . 2 . . . . 45 PHE HB2 . 25411 1 423 . 1 1 45 45 PHE HB3 H 1 2.515 0.015 . 2 . . . . 45 PHE HB3 . 25411 1 424 . 1 1 45 45 PHE CA C 13 62.809 0.316 . 1 . . . . 45 PHE CA . 25411 1 425 . 1 1 45 45 PHE CB C 13 34.935 0.125 . 1 . . . . 45 PHE CB . 25411 1 426 . 1 1 45 45 PHE N N 15 123.100 0.070 . 1 . . . . 45 PHE N . 25411 1 427 . 1 1 46 46 PRO HA H 1 4.012 0.025 . 1 . . . . 46 PRO HA . 25411 1 428 . 1 1 46 46 PRO HB2 H 1 2.156 0.010 . 2 . . . . 46 PRO HB2 . 25411 1 429 . 1 1 46 46 PRO HB3 H 1 1.955 0.032 . 2 . . . . 46 PRO HB3 . 25411 1 430 . 1 1 46 46 PRO HG2 H 1 2.094 0.006 . 1 . . . . 46 PRO HG2 . 25411 1 431 . 1 1 46 46 PRO HG3 H 1 2.094 0.006 . 1 . . . . 46 PRO HG3 . 25411 1 432 . 1 1 46 46 PRO HD2 H 1 3.632 0.013 . 2 . . . . 46 PRO HD2 . 25411 1 433 . 1 1 46 46 PRO HD3 H 1 3.219 0.037 . 2 . . . . 46 PRO HD3 . 25411 1 434 . 1 1 46 46 PRO CA C 13 64.531 0.274 . 1 . . . . 46 PRO CA . 25411 1 435 . 1 1 46 46 PRO CB C 13 30.487 0.363 . 1 . . . . 46 PRO CB . 25411 1 436 . 1 1 46 46 PRO CG C 13 27.657 0.310 . 1 . . . . 46 PRO CG . 25411 1 437 . 1 1 46 46 PRO CD C 13 49.891 0.310 . 1 . . . . 46 PRO CD . 25411 1 438 . 1 1 47 47 GLN H H 1 6.518 0.007 . 1 . . . . 47 GLN H . 25411 1 439 . 1 1 47 47 GLN HA H 1 3.937 0.017 . 1 . . . . 47 GLN HA . 25411 1 440 . 1 1 47 47 GLN HB2 H 1 2.216 0.058 . 2 . . . . 47 GLN HB2 . 25411 1 441 . 1 1 47 47 GLN HB3 H 1 2.038 0.025 . 2 . . . . 47 GLN HB3 . 25411 1 442 . 1 1 47 47 GLN HG2 H 1 2.449 0.005 . 2 . . . . 47 GLN HG2 . 25411 1 443 . 1 1 47 47 GLN HG3 H 1 2.411 0.012 . 2 . . . . 47 GLN HG3 . 25411 1 444 . 1 1 47 47 GLN CA C 13 58.404 0.295 . 1 . . . . 47 GLN CA . 25411 1 445 . 1 1 47 47 GLN CB C 13 28.320 0.087 . 1 . . . . 47 GLN CB . 25411 1 446 . 1 1 47 47 GLN CG C 13 33.405 0.268 . 1 . . . . 47 GLN CG . 25411 1 447 . 1 1 47 47 GLN N N 15 114.502 0.070 . 1 . . . . 47 GLN N . 25411 1 448 . 1 1 48 48 GLU H H 1 7.318 0.003 . 1 . . . . 48 GLU H . 25411 1 449 . 1 1 48 48 GLU HA H 1 4.038 0.015 . 1 . . . . 48 GLU HA . 25411 1 450 . 1 1 48 48 GLU HB2 H 1 2.091 0.025 . 1 . . . . 48 GLU HB2 . 25411 1 451 . 1 1 48 48 GLU HB3 H 1 2.091 0.025 . 1 . . . . 48 GLU HB3 . 25411 1 452 . 1 1 48 48 GLU CA C 13 58.172 0.075 . 1 . . . . 48 GLU CA . 25411 1 453 . 1 1 48 48 GLU CB C 13 28.954 0.261 . 1 . . . . 48 GLU CB . 25411 1 454 . 1 1 48 48 GLU CG C 13 36.107 0.030 . 1 . . . . 48 GLU CG . 25411 1 455 . 1 1 48 48 GLU N N 15 117.358 0.091 . 1 . . . . 48 GLU N . 25411 1 456 . 1 1 49 49 GLY H H 1 7.296 0.019 . 1 . . . . 49 GLY H . 25411 1 457 . 1 1 49 49 GLY HA2 H 1 3.164 0.034 . 2 . . . . 49 GLY HA2 . 25411 1 458 . 1 1 49 49 GLY HA3 H 1 3.495 0.041 . 2 . . . . 49 GLY HA3 . 25411 1 459 . 1 1 49 49 GLY CA C 13 47.303 0.067 . 1 . . . . 49 GLY CA . 25411 1 460 . 1 1 49 49 GLY N N 15 105.534 0.076 . 1 . . . . 49 GLY N . 25411 1 461 . 1 1 50 50 THR H H 1 7.597 0.014 . 1 . . . . 50 THR H . 25411 1 462 . 1 1 50 50 THR HA H 1 4.234 0.041 . 1 . . . . 50 THR HA . 25411 1 463 . 1 1 50 50 THR HB H 1 3.512 0.023 . 1 . . . . 50 THR HB . 25411 1 464 . 1 1 50 50 THR HG21 H 1 1.143 0.018 . 1 . . . . 50 THR HG21 . 25411 1 465 . 1 1 50 50 THR HG22 H 1 1.143 0.018 . 1 . . . . 50 THR HG22 . 25411 1 466 . 1 1 50 50 THR HG23 H 1 1.143 0.018 . 1 . . . . 50 THR HG23 . 25411 1 467 . 1 1 50 50 THR CA C 13 61.683 0.286 . 1 . . . . 50 THR CA . 25411 1 468 . 1 1 50 50 THR CB C 13 70.718 0.314 . 1 . . . . 50 THR CB . 25411 1 469 . 1 1 50 50 THR CG2 C 13 21.220 0.310 . 1 . . . . 50 THR CG2 . 25411 1 470 . 1 1 50 50 THR N N 15 114.069 0.085 . 1 . . . . 50 THR N . 25411 1 471 . 1 1 51 51 ILE HA H 1 4.125 0.004 . 1 . . . . 51 ILE HA . 25411 1 472 . 1 1 51 51 ILE HB H 1 1.945 0.016 . 1 . . . . 51 ILE HB . 25411 1 473 . 1 1 51 51 ILE HG12 H 1 1.190 0.013 . 2 . . . . 51 ILE HG12 . 25411 1 474 . 1 1 51 51 ILE HG13 H 1 1.249 0.016 . 2 . . . . 51 ILE HG13 . 25411 1 475 . 1 1 51 51 ILE HG21 H 1 0.752 0.034 . 1 . . . . 51 ILE MG . 25411 1 476 . 1 1 51 51 ILE HG22 H 1 0.752 0.034 . 1 . . . . 51 ILE MG . 25411 1 477 . 1 1 51 51 ILE HG23 H 1 0.752 0.034 . 1 . . . . 51 ILE MG . 25411 1 478 . 1 1 51 51 ILE HD11 H 1 0.611 0.012 . 1 . . . . 51 ILE MD . 25411 1 479 . 1 1 51 51 ILE HD12 H 1 0.611 0.012 . 1 . . . . 51 ILE MD . 25411 1 480 . 1 1 51 51 ILE HD13 H 1 0.611 0.012 . 1 . . . . 51 ILE MD . 25411 1 481 . 1 1 51 51 ILE CA C 13 59.870 0.513 . 1 . . . . 51 ILE CA . 25411 1 482 . 1 1 51 51 ILE CB C 13 35.288 0.306 . 1 . . . . 51 ILE CB . 25411 1 483 . 1 1 51 51 ILE CG1 C 13 26.964 0.390 . 1 . . . . 51 ILE CG1 . 25411 1 484 . 1 1 51 51 ILE CG2 C 13 17.835 0.030 . 1 . . . . 51 ILE CG2 . 25411 1 485 . 1 1 51 51 ILE CD1 C 13 12.459 0.219 . 1 . . . . 51 ILE CD1 . 25411 1 486 . 1 1 52 52 ASP H H 1 7.168 0.016 . 1 . . . . 52 ASP H . 25411 1 487 . 1 1 52 52 ASP HA H 1 4.623 0.036 . 1 . . . . 52 ASP HA . 25411 1 488 . 1 1 52 52 ASP HB2 H 1 3.093 0.030 . 2 . . . . 52 ASP HB2 . 25411 1 489 . 1 1 52 52 ASP HB3 H 1 2.728 0.023 . 2 . . . . 52 ASP HB3 . 25411 1 490 . 1 1 52 52 ASP CA C 13 51.732 0.258 . 1 . . . . 52 ASP CA . 25411 1 491 . 1 1 52 52 ASP CB C 13 42.461 0.034 . 1 . . . . 52 ASP CB . 25411 1 492 . 1 1 52 52 ASP N N 15 121.791 0.077 . 1 . . . . 52 ASP N . 25411 1 493 . 1 1 53 53 ILE H H 1 8.336 0.043 . 1 . . . . 53 ILE H . 25411 1 494 . 1 1 53 53 ILE HA H 1 4.135 0.018 . 1 . . . . 53 ILE HA . 25411 1 495 . 1 1 53 53 ILE HB H 1 1.907 0.029 . 1 . . . . 53 ILE HB . 25411 1 496 . 1 1 53 53 ILE HG12 H 1 1.545 0.020 . 2 . . . . 53 ILE HG12 . 25411 1 497 . 1 1 53 53 ILE HG13 H 1 1.533 0.012 . 2 . . . . 53 ILE HG13 . 25411 1 498 . 1 1 53 53 ILE HG21 H 1 1.047 0.013 . 1 . . . . 53 ILE MG . 25411 1 499 . 1 1 53 53 ILE HG22 H 1 1.047 0.013 . 1 . . . . 53 ILE MG . 25411 1 500 . 1 1 53 53 ILE HG23 H 1 1.047 0.013 . 1 . . . . 53 ILE MG . 25411 1 501 . 1 1 53 53 ILE HD11 H 1 0.980 0.024 . 1 . . . . 53 ILE MD . 25411 1 502 . 1 1 53 53 ILE HD12 H 1 0.980 0.024 . 1 . . . . 53 ILE MD . 25411 1 503 . 1 1 53 53 ILE HD13 H 1 0.980 0.024 . 1 . . . . 53 ILE MD . 25411 1 504 . 1 1 53 53 ILE CA C 13 61.796 0.252 . 1 . . . . 53 ILE CA . 25411 1 505 . 1 1 53 53 ILE CB C 13 37.815 0.247 . 1 . . . . 53 ILE CB . 25411 1 506 . 1 1 53 53 ILE CG1 C 13 28.200 0.250 . 1 . . . . 53 ILE CG1 . 25411 1 507 . 1 1 53 53 ILE CG2 C 13 17.940 0.210 . 1 . . . . 53 ILE CG2 . 25411 1 508 . 1 1 53 53 ILE CD1 C 13 13.402 0.231 . 1 . . . . 53 ILE CD1 . 25411 1 509 . 1 1 53 53 ILE N N 15 119.537 0.067 . 1 . . . . 53 ILE N . 25411 1 510 . 1 1 54 54 LYS H H 1 8.104 0.011 . 1 . . . . 54 LYS H . 25411 1 511 . 1 1 54 54 LYS HA H 1 4.105 0.022 . 1 . . . . 54 LYS HA . 25411 1 512 . 1 1 54 54 LYS HB2 H 1 1.875 0.024 . 1 . . . . 54 LYS HB2 . 25411 1 513 . 1 1 54 54 LYS HB3 H 1 1.875 0.024 . 1 . . . . 54 LYS HB3 . 25411 1 514 . 1 1 54 54 LYS HG2 H 1 1.441 0.027 . 1 . . . . 54 LYS HG2 . 25411 1 515 . 1 1 54 54 LYS HG3 H 1 1.441 0.027 . 1 . . . . 54 LYS HG3 . 25411 1 516 . 1 1 54 54 LYS HD2 H 1 1.720 0.003 . 1 . . . . 54 LYS HD2 . 25411 1 517 . 1 1 54 54 LYS HD3 H 1 1.720 0.003 . 1 . . . . 54 LYS HD3 . 25411 1 518 . 1 1 54 54 LYS HE2 H 1 2.966 0.019 . 1 . . . . 54 LYS HE2 . 25411 1 519 . 1 1 54 54 LYS HE3 H 1 2.966 0.019 . 1 . . . . 54 LYS HE3 . 25411 1 520 . 1 1 54 54 LYS CA C 13 59.972 0.245 . 1 . . . . 54 LYS CA . 25411 1 521 . 1 1 54 54 LYS CB C 13 31.748 0.190 . 1 . . . . 54 LYS CB . 25411 1 522 . 1 1 54 54 LYS CG C 13 25.432 0.030 . 1 . . . . 54 LYS CG . 25411 1 523 . 1 1 54 54 LYS CD C 13 27.269 0.030 . 1 . . . . 54 LYS CD . 25411 1 524 . 1 1 54 54 LYS CE C 13 41.781 0.030 . 1 . . . . 54 LYS CE . 25411 1 525 . 1 1 54 54 LYS N N 15 123.592 0.061 . 1 . . . . 54 LYS N . 25411 1 526 . 1 1 55 55 ARG H H 1 9.196 0.027 . 1 . . . . 55 ARG H . 25411 1 527 . 1 1 55 55 ARG HA H 1 4.301 0.041 . 1 . . . . 55 ARG HA . 25411 1 528 . 1 1 55 55 ARG HB2 H 1 1.994 0.036 . 1 . . . . 55 ARG HB2 . 25411 1 529 . 1 1 55 55 ARG HB3 H 1 1.994 0.036 . 1 . . . . 55 ARG HB3 . 25411 1 530 . 1 1 55 55 ARG CA C 13 59.903 0.124 . 1 . . . . 55 ARG CA . 25411 1 531 . 1 1 55 55 ARG CB C 13 30.056 0.149 . 1 . . . . 55 ARG CB . 25411 1 532 . 1 1 55 55 ARG N N 15 120.511 0.072 . 1 . . . . 55 ARG N . 25411 1 533 . 1 1 56 56 TRP H H 1 8.899 0.005 . 1 . . . . 56 TRP H . 25411 1 534 . 1 1 56 56 TRP HA H 1 4.703 0.037 . 1 . . . . 56 TRP HA . 25411 1 535 . 1 1 56 56 TRP HB2 H 1 3.292 0.039 . 1 . . . . 56 TRP HB2 . 25411 1 536 . 1 1 56 56 TRP HB3 H 1 3.292 0.039 . 1 . . . . 56 TRP HB3 . 25411 1 537 . 1 1 56 56 TRP CA C 13 59.406 0.065 . 1 . . . . 56 TRP CA . 25411 1 538 . 1 1 56 56 TRP CB C 13 30.014 0.085 . 1 . . . . 56 TRP CB . 25411 1 539 . 1 1 56 56 TRP N N 15 120.681 0.054 . 1 . . . . 56 TRP N . 25411 1 540 . 1 1 57 57 ARG H H 1 9.210 0.011 . 1 . . . . 57 ARG H . 25411 1 541 . 1 1 57 57 ARG HA H 1 4.407 0.017 . 1 . . . . 57 ARG HA . 25411 1 542 . 1 1 57 57 ARG HB2 H 1 2.169 0.026 . 1 . . . . 57 ARG HB2 . 25411 1 543 . 1 1 57 57 ARG HB3 H 1 2.169 0.026 . 1 . . . . 57 ARG HB3 . 25411 1 544 . 1 1 57 57 ARG HD2 H 1 3.249 0.015 . 1 . . . . 57 ARG HD2 . 25411 1 545 . 1 1 57 57 ARG HD3 H 1 3.249 0.015 . 1 . . . . 57 ARG HD3 . 25411 1 546 . 1 1 57 57 ARG CA C 13 60.027 0.288 . 1 . . . . 57 ARG CA . 25411 1 547 . 1 1 57 57 ARG CB C 13 29.786 0.311 . 1 . . . . 57 ARG CB . 25411 1 548 . 1 1 57 57 ARG CG C 13 27.797 0.093 . 1 . . . . 57 ARG CG . 25411 1 549 . 1 1 57 57 ARG CD C 13 43.085 0.335 . 1 . . . . 57 ARG CD . 25411 1 550 . 1 1 57 57 ARG N N 15 122.115 0.102 . 1 . . . . 57 ARG N . 25411 1 551 . 1 1 58 58 ARG H H 1 7.640 0.013 . 1 . . . . 58 ARG H . 25411 1 552 . 1 1 58 58 ARG CA C 13 59.845 0.030 . 1 . . . . 58 ARG CA . 25411 1 553 . 1 1 58 58 ARG CB C 13 29.729 0.030 . 1 . . . . 58 ARG CB . 25411 1 554 . 1 1 58 58 ARG N N 15 120.918 0.064 . 1 . . . . 58 ARG N . 25411 1 555 . 1 1 59 59 VAL H H 1 7.916 0.006 . 1 . . . . 59 VAL H . 25411 1 556 . 1 1 59 59 VAL HA H 1 3.764 0.020 . 1 . . . . 59 VAL HA . 25411 1 557 . 1 1 59 59 VAL HB H 1 1.508 0.021 . 1 . . . . 59 VAL HB . 25411 1 558 . 1 1 59 59 VAL HG11 H 1 -0.332 0.010 . 2 . . . . 59 VAL MG1 . 25411 1 559 . 1 1 59 59 VAL HG12 H 1 -0.332 0.010 . 2 . . . . 59 VAL MG1 . 25411 1 560 . 1 1 59 59 VAL HG13 H 1 -0.332 0.010 . 2 . . . . 59 VAL MG1 . 25411 1 561 . 1 1 59 59 VAL HG21 H 1 0.458 0.012 . 2 . . . . 59 VAL MG2 . 25411 1 562 . 1 1 59 59 VAL HG22 H 1 0.458 0.012 . 2 . . . . 59 VAL MG2 . 25411 1 563 . 1 1 59 59 VAL HG23 H 1 0.458 0.012 . 2 . . . . 59 VAL MG2 . 25411 1 564 . 1 1 59 59 VAL CA C 13 66.000 0.257 . 1 . . . . 59 VAL CA . 25411 1 565 . 1 1 59 59 VAL CB C 13 30.832 0.270 . 1 . . . . 59 VAL CB . 25411 1 566 . 1 1 59 59 VAL CG1 C 13 22.742 0.219 . 2 . . . . 59 VAL CG1 . 25411 1 567 . 1 1 59 59 VAL CG2 C 13 20.414 0.189 . 2 . . . . 59 VAL CG2 . 25411 1 568 . 1 1 60 60 GLY H H 1 7.623 0.013 . 1 . . . . 60 GLY H . 25411 1 569 . 1 1 60 60 GLY HA2 H 1 4.097 0.034 . 1 . . . . 60 GLY HA2 . 25411 1 570 . 1 1 60 60 GLY HA3 H 1 4.097 0.034 . 1 . . . . 60 GLY HA3 . 25411 1 571 . 1 1 60 60 GLY CA C 13 46.081 0.062 . 1 . . . . 60 GLY CA . 25411 1 572 . 1 1 60 60 GLY N N 15 106.856 0.056 . 1 . . . . 60 GLY N . 25411 1 573 . 1 1 61 61 ASP H H 1 8.203 0.019 . 1 . . . . 61 ASP H . 25411 1 574 . 1 1 61 61 ASP HA H 1 4.225 0.042 . 1 . . . . 61 ASP HA . 25411 1 575 . 1 1 61 61 ASP HB2 H 1 2.684 0.025 . 2 . . . . 61 ASP HB2 . 25411 1 576 . 1 1 61 61 ASP HB3 H 1 2.640 0.043 . 2 . . . . 61 ASP HB3 . 25411 1 577 . 1 1 61 61 ASP CA C 13 56.800 0.168 . 1 . . . . 61 ASP CA . 25411 1 578 . 1 1 61 61 ASP CB C 13 39.484 0.307 . 1 . . . . 61 ASP CB . 25411 1 579 . 1 1 61 61 ASP N N 15 123.308 0.033 . 1 . . . . 61 ASP N . 25411 1 580 . 1 1 62 62 CYS H H 1 7.795 0.003 . 1 . . . . 62 CYS H . 25411 1 581 . 1 1 62 62 CYS HA H 1 4.238 0.017 . 1 . . . . 62 CYS HA . 25411 1 582 . 1 1 62 62 CYS HB2 H 1 3.168 0.039 . 2 . . . . 62 CYS HB2 . 25411 1 583 . 1 1 62 62 CYS HB3 H 1 2.804 0.043 . 2 . . . . 62 CYS HB3 . 25411 1 584 . 1 1 62 62 CYS CA C 13 62.950 0.051 . 1 . . . . 62 CYS CA . 25411 1 585 . 1 1 62 62 CYS CB C 13 26.503 0.055 . 1 . . . . 62 CYS CB . 25411 1 586 . 1 1 62 62 CYS N N 15 120.841 0.061 . 1 . . . . 62 CYS N . 25411 1 587 . 1 1 63 63 PHE H H 1 8.647 0.014 . 1 . . . . 63 PHE H . 25411 1 588 . 1 1 63 63 PHE HA H 1 4.278 0.013 . 1 . . . . 63 PHE HA . 25411 1 589 . 1 1 63 63 PHE HB2 H 1 2.952 0.003 . 1 . . . . 63 PHE HB2 . 25411 1 590 . 1 1 63 63 PHE HB3 H 1 2.952 0.003 . 1 . . . . 63 PHE HB3 . 25411 1 591 . 1 1 63 63 PHE CA C 13 58.657 0.050 . 1 . . . . 63 PHE CA . 25411 1 592 . 1 1 63 63 PHE CB C 13 36.990 0.003 . 1 . . . . 63 PHE CB . 25411 1 593 . 1 1 63 63 PHE N N 15 119.763 0.064 . 1 . . . . 63 PHE N . 25411 1 594 . 1 1 64 64 GLN H H 1 8.261 0.019 . 1 . . . . 64 GLN H . 25411 1 595 . 1 1 64 64 GLN HA H 1 4.308 0.044 . 1 . . . . 64 GLN HA . 25411 1 596 . 1 1 64 64 GLN HB2 H 1 2.166 0.025 . 1 . . . . 64 GLN HB2 . 25411 1 597 . 1 1 64 64 GLN HB3 H 1 2.166 0.025 . 1 . . . . 64 GLN HB3 . 25411 1 598 . 1 1 64 64 GLN CA C 13 59.333 0.014 . 1 . . . . 64 GLN CA . 25411 1 599 . 1 1 64 64 GLN CB C 13 28.579 0.311 . 1 . . . . 64 GLN CB . 25411 1 600 . 1 1 64 64 GLN CG C 13 36.538 0.030 . 1 . . . . 64 GLN CG . 25411 1 601 . 1 1 64 64 GLN N N 15 118.578 0.112 . 1 . . . . 64 GLN N . 25411 1 602 . 1 1 65 65 ASP H H 1 8.338 0.013 . 1 . . . . 65 ASP H . 25411 1 603 . 1 1 65 65 ASP HA H 1 4.484 0.014 . 1 . . . . 65 ASP HA . 25411 1 604 . 1 1 65 65 ASP HB2 H 1 2.779 0.013 . 1 . . . . 65 ASP HB2 . 25411 1 605 . 1 1 65 65 ASP HB3 H 1 2.779 0.013 . 1 . . . . 65 ASP HB3 . 25411 1 606 . 1 1 65 65 ASP CA C 13 57.329 0.374 . 1 . . . . 65 ASP CA . 25411 1 607 . 1 1 65 65 ASP CB C 13 39.671 0.283 . 1 . . . . 65 ASP CB . 25411 1 608 . 1 1 65 65 ASP N N 15 119.534 0.070 . 1 . . . . 65 ASP N . 25411 1 609 . 1 1 66 66 TYR H H 1 7.804 0.015 . 1 . . . . 66 TYR H . 25411 1 610 . 1 1 66 66 TYR HA H 1 4.502 0.023 . 1 . . . . 66 TYR HA . 25411 1 611 . 1 1 66 66 TYR HB2 H 1 3.306 0.027 . 2 . . . . 66 TYR HB2 . 25411 1 612 . 1 1 66 66 TYR HB3 H 1 3.004 0.027 . 2 . . . . 66 TYR HB3 . 25411 1 613 . 1 1 66 66 TYR CA C 13 61.231 0.308 . 1 . . . . 66 TYR CA . 25411 1 614 . 1 1 66 66 TYR CB C 13 38.433 0.280 . 1 . . . . 66 TYR CB . 25411 1 615 . 1 1 66 66 TYR N N 15 123.600 0.066 . 1 . . . . 66 TYR N . 25411 1 616 . 1 1 67 67 TYR H H 1 9.100 0.013 . 1 . . . . 67 TYR H . 25411 1 617 . 1 1 67 67 TYR HA H 1 3.997 0.031 . 1 . . . . 67 TYR HA . 25411 1 618 . 1 1 67 67 TYR HB2 H 1 3.274 0.027 . 2 . . . . 67 TYR HB2 . 25411 1 619 . 1 1 67 67 TYR HB3 H 1 3.029 0.043 . 2 . . . . 67 TYR HB3 . 25411 1 620 . 1 1 67 67 TYR CA C 13 61.903 0.220 . 1 . . . . 67 TYR CA . 25411 1 621 . 1 1 67 67 TYR CB C 13 38.946 0.253 . 1 . . . . 67 TYR CB . 25411 1 622 . 1 1 67 67 TYR N N 15 122.825 0.045 . 1 . . . . 67 TYR N . 25411 1 623 . 1 1 68 68 ASN H H 1 8.853 0.023 . 1 . . . . 68 ASN H . 25411 1 624 . 1 1 68 68 ASN HA H 1 4.283 0.046 . 1 . . . . 68 ASN HA . 25411 1 625 . 1 1 68 68 ASN HB2 H 1 2.876 0.012 . 1 . . . . 68 ASN HB2 . 25411 1 626 . 1 1 68 68 ASN HB3 H 1 2.876 0.012 . 1 . . . . 68 ASN HB3 . 25411 1 627 . 1 1 68 68 ASN CA C 13 55.432 0.051 . 1 . . . . 68 ASN CA . 25411 1 628 . 1 1 68 68 ASN CB C 13 37.876 0.002 . 1 . . . . 68 ASN CB . 25411 1 629 . 1 1 68 68 ASN N N 15 118.826 0.059 . 1 . . . . 68 ASN N . 25411 1 630 . 1 1 69 69 THR H H 1 7.847 0.005 . 1 . . . . 69 THR H . 25411 1 631 . 1 1 69 69 THR HA H 1 3.837 0.012 . 1 . . . . 69 THR HA . 25411 1 632 . 1 1 69 69 THR HB H 1 3.548 0.027 . 1 . . . . 69 THR HB . 25411 1 633 . 1 1 69 69 THR HG21 H 1 0.245 0.007 . 1 . . . . 69 THR HG21 . 25411 1 634 . 1 1 69 69 THR HG22 H 1 0.245 0.007 . 1 . . . . 69 THR HG22 . 25411 1 635 . 1 1 69 69 THR HG23 H 1 0.245 0.007 . 1 . . . . 69 THR HG23 . 25411 1 636 . 1 1 69 69 THR CA C 13 65.328 0.296 . 1 . . . . 69 THR CA . 25411 1 637 . 1 1 69 69 THR CB C 13 69.249 0.296 . 1 . . . . 69 THR CB . 25411 1 638 . 1 1 69 69 THR CG2 C 13 20.540 0.303 . 1 . . . . 69 THR CG2 . 25411 1 639 . 1 1 69 69 THR N N 15 114.242 0.067 . 1 . . . . 69 THR N . 25411 1 640 . 1 1 70 70 PHE H H 1 8.489 0.003 . 1 . . . . 70 PHE H . 25411 1 641 . 1 1 70 70 PHE HA H 1 4.564 0.026 . 1 . . . . 70 PHE HA . 25411 1 642 . 1 1 70 70 PHE HB2 H 1 3.153 0.021 . 1 . . . . 70 PHE HB2 . 25411 1 643 . 1 1 70 70 PHE HB3 H 1 3.153 0.021 . 1 . . . . 70 PHE HB3 . 25411 1 644 . 1 1 70 70 PHE CA C 13 58.242 0.282 . 1 . . . . 70 PHE CA . 25411 1 645 . 1 1 70 70 PHE CB C 13 41.074 0.149 . 1 . . . . 70 PHE CB . 25411 1 646 . 1 1 70 70 PHE N N 15 117.970 0.081 . 1 . . . . 70 PHE N . 25411 1 647 . 1 1 71 71 GLY H H 1 7.968 0.023 . 1 . . . . 71 GLY H . 25411 1 648 . 1 1 71 71 GLY CA C 13 45.032 0.030 . 1 . . . . 71 GLY CA . 25411 1 649 . 1 1 71 71 GLY N N 15 109.516 0.080 . 1 . . . . 71 GLY N . 25411 1 650 . 1 1 72 72 PRO HA H 1 4.711 0.031 . 1 . . . . 72 PRO HA . 25411 1 651 . 1 1 72 72 PRO HB2 H 1 2.343 0.043 . 2 . . . . 72 PRO HB2 . 25411 1 652 . 1 1 72 72 PRO HB3 H 1 2.048 0.019 . 2 . . . . 72 PRO HB3 . 25411 1 653 . 1 1 72 72 PRO HG2 H 1 2.008 0.007 . 2 . . . . 72 PRO HG2 . 25411 1 654 . 1 1 72 72 PRO HG3 H 1 2.074 0.040 . 2 . . . . 72 PRO HG3 . 25411 1 655 . 1 1 72 72 PRO HD2 H 1 3.278 0.015 . 2 . . . . 72 PRO HD2 . 25411 1 656 . 1 1 72 72 PRO HD3 H 1 2.942 0.021 . 2 . . . . 72 PRO HD3 . 25411 1 657 . 1 1 72 72 PRO CA C 13 63.297 0.135 . 1 . . . . 72 PRO CA . 25411 1 658 . 1 1 72 72 PRO CB C 13 31.744 0.118 . 1 . . . . 72 PRO CB . 25411 1 659 . 1 1 72 72 PRO CG C 13 26.885 0.280 . 1 . . . . 72 PRO CG . 25411 1 660 . 1 1 72 72 PRO CD C 13 49.919 0.241 . 1 . . . . 72 PRO CD . 25411 1 661 . 1 1 73 73 GLU H H 1 8.586 0.006 . 1 . . . . 73 GLU H . 25411 1 662 . 1 1 73 73 GLU HA H 1 3.899 0.043 . 1 . . . . 73 GLU HA . 25411 1 663 . 1 1 73 73 GLU HB2 H 1 2.223 0.016 . 2 . . . . 73 GLU HB2 . 25411 1 664 . 1 1 73 73 GLU HB3 H 1 1.981 0.019 . 2 . . . . 73 GLU HB3 . 25411 1 665 . 1 1 73 73 GLU HG2 H 1 2.437 0.008 . 2 . . . . 73 GLU HG2 . 25411 1 666 . 1 1 73 73 GLU HG3 H 1 2.348 0.035 . 2 . . . . 73 GLU HG3 . 25411 1 667 . 1 1 73 73 GLU CA C 13 58.736 0.110 . 1 . . . . 73 GLU CA . 25411 1 668 . 1 1 73 73 GLU CB C 13 28.863 0.246 . 1 . . . . 73 GLU CB . 25411 1 669 . 1 1 73 73 GLU CG C 13 36.096 0.287 . 1 . . . . 73 GLU CG . 25411 1 670 . 1 1 73 73 GLU N N 15 117.720 0.046 . 1 . . . . 73 GLU N . 25411 1 671 . 1 1 74 74 LYS H H 1 7.505 0.013 . 1 . . . . 74 LYS H . 25411 1 672 . 1 1 74 74 LYS HA H 1 4.389 0.027 . 1 . . . . 74 LYS HA . 25411 1 673 . 1 1 74 74 LYS HB2 H 1 2.028 0.032 . 2 . . . . 74 LYS HB2 . 25411 1 674 . 1 1 74 74 LYS HB3 H 1 1.946 0.015 . 2 . . . . 74 LYS HB3 . 25411 1 675 . 1 1 74 74 LYS HG2 H 1 1.368 0.007 . 1 . . . . 74 LYS HG2 . 25411 1 676 . 1 1 74 74 LYS HG3 H 1 1.368 0.007 . 1 . . . . 74 LYS HG3 . 25411 1 677 . 1 1 74 74 LYS HD2 H 1 1.576 0.027 . 1 . . . . 74 LYS HD2 . 25411 1 678 . 1 1 74 74 LYS HD3 H 1 1.576 0.027 . 1 . . . . 74 LYS HD3 . 25411 1 679 . 1 1 74 74 LYS HE2 H 1 3.200 0.020 . 1 . . . . 74 LYS HE2 . 25411 1 680 . 1 1 74 74 LYS HE3 H 1 3.200 0.020 . 1 . . . . 74 LYS HE3 . 25411 1 681 . 1 1 74 74 LYS CA C 13 55.185 0.239 . 1 . . . . 74 LYS CA . 25411 1 682 . 1 1 74 74 LYS CB C 13 34.087 0.264 . 1 . . . . 74 LYS CB . 25411 1 683 . 1 1 74 74 LYS CG C 13 24.504 0.079 . 1 . . . . 74 LYS CG . 25411 1 684 . 1 1 74 74 LYS CD C 13 28.233 0.179 . 1 . . . . 74 LYS CD . 25411 1 685 . 1 1 74 74 LYS CE C 13 41.841 0.147 . 1 . . . . 74 LYS CE . 25411 1 686 . 1 1 74 74 LYS N N 15 116.974 0.064 . 1 . . . . 74 LYS N . 25411 1 687 . 1 1 75 75 VAL H H 1 7.402 0.021 . 1 . . . . 75 VAL H . 25411 1 688 . 1 1 75 75 VAL HA H 1 4.313 0.037 . 1 . . . . 75 VAL HA . 25411 1 689 . 1 1 75 75 VAL HB H 1 2.273 0.012 . 1 . . . . 75 VAL HB . 25411 1 690 . 1 1 75 75 VAL HG11 H 1 0.894 0.021 . 2 . . . . 75 VAL MG1 . 25411 1 691 . 1 1 75 75 VAL HG12 H 1 0.894 0.021 . 2 . . . . 75 VAL MG1 . 25411 1 692 . 1 1 75 75 VAL HG13 H 1 0.894 0.021 . 2 . . . . 75 VAL MG1 . 25411 1 693 . 1 1 75 75 VAL HG21 H 1 1.034 0.055 . 2 . . . . 75 VAL MG2 . 25411 1 694 . 1 1 75 75 VAL HG22 H 1 1.034 0.055 . 2 . . . . 75 VAL MG2 . 25411 1 695 . 1 1 75 75 VAL HG23 H 1 1.034 0.055 . 2 . . . . 75 VAL MG2 . 25411 1 696 . 1 1 75 75 VAL CA C 13 62.045 0.033 . 1 . . . . 75 VAL CA . 25411 1 697 . 1 1 75 75 VAL CB C 13 31.984 0.332 . 1 . . . . 75 VAL CB . 25411 1 698 . 1 1 75 75 VAL CG1 C 13 23.154 0.030 . 2 . . . . 75 VAL CG1 . 25411 1 699 . 1 1 75 75 VAL CG2 C 13 20.909 0.250 . 2 . . . . 75 VAL CG2 . 25411 1 700 . 1 1 75 75 VAL N N 15 117.309 0.088 . 1 . . . . 75 VAL N . 25411 1 701 . 1 1 76 76 PRO HA H 1 4.562 0.045 . 1 . . . . 76 PRO HA . 25411 1 702 . 1 1 76 76 PRO HB2 H 1 1.985 0.022 . 2 . . . . 76 PRO HB2 . 25411 1 703 . 1 1 76 76 PRO HB3 H 1 2.245 0.031 . 2 . . . . 76 PRO HB3 . 25411 1 704 . 1 1 76 76 PRO HG2 H 1 1.787 0.003 . 2 . . . . 76 PRO HG2 . 25411 1 705 . 1 1 76 76 PRO HG3 H 1 1.672 0.037 . 2 . . . . 76 PRO HG3 . 25411 1 706 . 1 1 76 76 PRO HD2 H 1 3.334 0.019 . 1 . . . . 76 PRO HD2 . 25411 1 707 . 1 1 76 76 PRO HD3 H 1 3.334 0.019 . 1 . . . . 76 PRO HD3 . 25411 1 708 . 1 1 76 76 PRO CA C 13 61.687 0.291 . 1 . . . . 76 PRO CA . 25411 1 709 . 1 1 76 76 PRO CB C 13 31.731 0.206 . 1 . . . . 76 PRO CB . 25411 1 710 . 1 1 76 76 PRO CG C 13 27.461 0.071 . 1 . . . . 76 PRO CG . 25411 1 711 . 1 1 76 76 PRO CD C 13 49.265 0.256 . 1 . . . . 76 PRO CD . 25411 1 712 . 1 1 77 77 VAL H H 1 8.473 0.003 . 1 . . . . 77 VAL H . 25411 1 713 . 1 1 77 77 VAL HA H 1 3.828 0.016 . 1 . . . . 77 VAL HA . 25411 1 714 . 1 1 77 77 VAL HB H 1 2.142 0.012 . 1 . . . . 77 VAL HB . 25411 1 715 . 1 1 77 77 VAL HG11 H 1 1.095 0.042 . 2 . . . . 77 VAL MG1 . 25411 1 716 . 1 1 77 77 VAL HG12 H 1 1.095 0.042 . 2 . . . . 77 VAL MG1 . 25411 1 717 . 1 1 77 77 VAL HG13 H 1 1.095 0.042 . 2 . . . . 77 VAL MG1 . 25411 1 718 . 1 1 77 77 VAL HG21 H 1 0.964 0.022 . 2 . . . . 77 VAL MG2 . 25411 1 719 . 1 1 77 77 VAL HG22 H 1 0.964 0.022 . 2 . . . . 77 VAL MG2 . 25411 1 720 . 1 1 77 77 VAL HG23 H 1 0.964 0.022 . 2 . . . . 77 VAL MG2 . 25411 1 721 . 1 1 77 77 VAL CA C 13 65.838 0.351 . 1 . . . . 77 VAL CA . 25411 1 722 . 1 1 77 77 VAL CB C 13 31.387 0.232 . 1 . . . . 77 VAL CB . 25411 1 723 . 1 1 77 77 VAL CG1 C 13 21.196 0.313 . 2 . . . . 77 VAL CG1 . 25411 1 724 . 1 1 77 77 VAL CG2 C 13 18.615 0.030 . 2 . . . . 77 VAL CG2 . 25411 1 725 . 1 1 77 77 VAL N N 15 120.870 0.035 . 1 . . . . 77 VAL N . 25411 1 726 . 1 1 78 78 ILE H H 1 8.388 0.055 . 1 . . . . 78 ILE H . 25411 1 727 . 1 1 78 78 ILE HA H 1 3.852 0.018 . 1 . . . . 78 ILE HA . 25411 1 728 . 1 1 78 78 ILE HB H 1 1.456 0.021 . 1 . . . . 78 ILE HB . 25411 1 729 . 1 1 78 78 ILE HG12 H 1 0.562 0.048 . 2 . . . . 78 ILE HG12 . 25411 1 730 . 1 1 78 78 ILE HG13 H 1 0.592 0.037 . 2 . . . . 78 ILE HG13 . 25411 1 731 . 1 1 78 78 ILE HG21 H 1 0.610 0.028 . 1 . . . . 78 ILE MG . 25411 1 732 . 1 1 78 78 ILE HG22 H 1 0.610 0.028 . 1 . . . . 78 ILE MG . 25411 1 733 . 1 1 78 78 ILE HG23 H 1 0.610 0.028 . 1 . . . . 78 ILE MG . 25411 1 734 . 1 1 78 78 ILE HD11 H 1 0.100 0.013 . 1 . . . . 78 ILE MD . 25411 1 735 . 1 1 78 78 ILE HD12 H 1 0.100 0.013 . 1 . . . . 78 ILE MD . 25411 1 736 . 1 1 78 78 ILE HD13 H 1 0.100 0.013 . 1 . . . . 78 ILE MD . 25411 1 737 . 1 1 78 78 ILE CA C 13 61.125 0.225 . 1 . . . . 78 ILE CA . 25411 1 738 . 1 1 78 78 ILE CB C 13 37.135 0.104 . 1 . . . . 78 ILE CB . 25411 1 739 . 1 1 78 78 ILE CG1 C 13 26.937 0.003 . 1 . . . . 78 ILE CG1 . 25411 1 740 . 1 1 78 78 ILE CG2 C 13 17.854 0.243 . 1 . . . . 78 ILE CG2 . 25411 1 741 . 1 1 78 78 ILE CD1 C 13 10.567 0.215 . 1 . . . . 78 ILE CD1 . 25411 1 742 . 1 1 79 79 ALA H H 1 7.953 0.025 . 1 . . . . 79 ALA H . 25411 1 743 . 1 1 79 79 ALA HA H 1 3.890 0.021 . 1 . . . . 79 ALA HA . 25411 1 744 . 1 1 79 79 ALA HB1 H 1 0.925 0.014 . 1 . . . . 79 ALA MB . 25411 1 745 . 1 1 79 79 ALA HB2 H 1 0.925 0.014 . 1 . . . . 79 ALA MB . 25411 1 746 . 1 1 79 79 ALA HB3 H 1 0.925 0.014 . 1 . . . . 79 ALA MB . 25411 1 747 . 1 1 79 79 ALA CA C 13 54.889 0.308 . 1 . . . . 79 ALA CA . 25411 1 748 . 1 1 79 79 ALA CB C 13 17.623 0.249 . 1 . . . . 79 ALA CB . 25411 1 749 . 1 1 79 79 ALA N N 15 123.960 0.077 . 1 . . . . 79 ALA N . 25411 1 750 . 1 1 80 80 PHE H H 1 7.499 0.020 . 1 . . . . 80 PHE H . 25411 1 751 . 1 1 80 80 PHE HA H 1 4.431 0.068 . 1 . . . . 80 PHE HA . 25411 1 752 . 1 1 80 80 PHE HB2 H 1 2.876 0.025 . 2 . . . . 80 PHE HB2 . 25411 1 753 . 1 1 80 80 PHE HB3 H 1 2.750 0.045 . 2 . . . . 80 PHE HB3 . 25411 1 754 . 1 1 80 80 PHE CA C 13 61.312 0.411 . 1 . . . . 80 PHE CA . 25411 1 755 . 1 1 80 80 PHE CB C 13 37.656 0.319 . 1 . . . . 80 PHE CB . 25411 1 756 . 1 1 80 80 PHE N N 15 114.330 0.059 . 1 . . . . 80 PHE N . 25411 1 757 . 1 1 81 81 SER H H 1 8.225 0.003 . 1 . . . . 81 SER H . 25411 1 758 . 1 1 81 81 SER HA H 1 4.206 0.025 . 1 . . . . 81 SER HA . 25411 1 759 . 1 1 81 81 SER HB2 H 1 3.749 0.003 . 1 . . . . 81 SER HB2 . 25411 1 760 . 1 1 81 81 SER HB3 H 1 3.749 0.003 . 1 . . . . 81 SER HB3 . 25411 1 761 . 1 1 81 81 SER CA C 13 58.432 0.005 . 1 . . . . 81 SER CA . 25411 1 762 . 1 1 81 81 SER CB C 13 63.575 0.055 . 1 . . . . 81 SER CB . 25411 1 763 . 1 1 81 81 SER N N 15 115.971 0.037 . 1 . . . . 81 SER N . 25411 1 764 . 1 1 82 82 TYR H H 1 8.378 0.008 . 1 . . . . 82 TYR H . 25411 1 765 . 1 1 82 82 TYR HA H 1 4.447 0.035 . 1 . . . . 82 TYR HA . 25411 1 766 . 1 1 82 82 TYR HB2 H 1 2.954 0.003 . 1 . . . . 82 TYR HB2 . 25411 1 767 . 1 1 82 82 TYR HB3 H 1 2.954 0.003 . 1 . . . . 82 TYR HB3 . 25411 1 768 . 1 1 82 82 TYR CA C 13 55.885 0.281 . 1 . . . . 82 TYR CA . 25411 1 769 . 1 1 82 82 TYR CB C 13 37.838 0.156 . 1 . . . . 82 TYR CB . 25411 1 770 . 1 1 82 82 TYR N N 15 121.997 0.019 . 1 . . . . 82 TYR N . 25411 1 771 . 1 1 83 83 TRP H H 1 8.546 0.017 . 1 . . . . 83 TRP H . 25411 1 772 . 1 1 83 83 TRP CA C 13 57.393 0.030 . 1 . . . . 83 TRP CA . 25411 1 773 . 1 1 83 83 TRP CB C 13 28.894 0.030 . 1 . . . . 83 TRP CB . 25411 1 774 . 1 1 83 83 TRP N N 15 120.268 0.042 . 1 . . . . 83 TRP N . 25411 1 775 . 1 1 84 84 ASN HA H 1 4.220 0.023 . 1 . . . . 84 ASN HA . 25411 1 776 . 1 1 84 84 ASN HB2 H 1 2.916 0.026 . 2 . . . . 84 ASN HB2 . 25411 1 777 . 1 1 84 84 ASN HB3 H 1 3.120 0.041 . 2 . . . . 84 ASN HB3 . 25411 1 778 . 1 1 84 84 ASN CA C 13 56.629 0.285 . 1 . . . . 84 ASN CA . 25411 1 779 . 1 1 84 84 ASN CB C 13 39.065 0.299 . 1 . . . . 84 ASN CB . 25411 1 780 . 1 1 85 85 LEU HA H 1 4.046 0.027 . 1 . . . . 85 LEU HA . 25411 1 781 . 1 1 85 85 LEU HB2 H 1 1.755 0.039 . 1 . . . . 85 LEU HB2 . 25411 1 782 . 1 1 85 85 LEU HB3 H 1 1.755 0.039 . 1 . . . . 85 LEU HB3 . 25411 1 783 . 1 1 85 85 LEU HD11 H 1 0.795 0.009 . 1 . . . . 85 LEU MD1 . 25411 1 784 . 1 1 85 85 LEU HD12 H 1 0.795 0.009 . 1 . . . . 85 LEU MD1 . 25411 1 785 . 1 1 85 85 LEU HD13 H 1 0.795 0.009 . 1 . . . . 85 LEU MD1 . 25411 1 786 . 1 1 85 85 LEU HD21 H 1 0.795 0.009 . 1 . . . . 85 LEU MD2 . 25411 1 787 . 1 1 85 85 LEU HD22 H 1 0.795 0.009 . 1 . . . . 85 LEU MD2 . 25411 1 788 . 1 1 85 85 LEU HD23 H 1 0.795 0.009 . 1 . . . . 85 LEU MD2 . 25411 1 789 . 1 1 85 85 LEU CA C 13 58.142 0.331 . 1 . . . . 85 LEU CA . 25411 1 790 . 1 1 85 85 LEU CB C 13 41.692 0.042 . 1 . . . . 85 LEU CB . 25411 1 791 . 1 1 85 85 LEU CG C 13 28.028 0.030 . 1 . . . . 85 LEU CG . 25411 1 792 . 1 1 85 85 LEU CD1 C 13 25.069 0.030 . 1 . . . . 85 LEU CD1 . 25411 1 793 . 1 1 85 85 LEU CD2 C 13 25.069 0.030 . 1 . . . . 85 LEU CD2 . 25411 1 794 . 1 1 86 86 ILE H H 1 7.882 0.010 . 1 . . . . 86 ILE H . 25411 1 795 . 1 1 86 86 ILE HA H 1 3.446 0.030 . 1 . . . . 86 ILE HA . 25411 1 796 . 1 1 86 86 ILE HB H 1 1.923 0.009 . 1 . . . . 86 ILE HB . 25411 1 797 . 1 1 86 86 ILE HG12 H 1 1.408 0.003 . 2 . . . . 86 ILE HG12 . 25411 1 798 . 1 1 86 86 ILE HG13 H 1 1.383 0.012 . 2 . . . . 86 ILE HG13 . 25411 1 799 . 1 1 86 86 ILE HG21 H 1 -0.518 0.020 . 1 . . . . 86 ILE MG . 25411 1 800 . 1 1 86 86 ILE HG22 H 1 -0.518 0.020 . 1 . . . . 86 ILE MG . 25411 1 801 . 1 1 86 86 ILE HG23 H 1 -0.518 0.020 . 1 . . . . 86 ILE MG . 25411 1 802 . 1 1 86 86 ILE HD11 H 1 0.779 0.019 . 1 . . . . 86 ILE MD . 25411 1 803 . 1 1 86 86 ILE HD12 H 1 0.779 0.019 . 1 . . . . 86 ILE MD . 25411 1 804 . 1 1 86 86 ILE HD13 H 1 0.779 0.019 . 1 . . . . 86 ILE MD . 25411 1 805 . 1 1 86 86 ILE CA C 13 61.283 0.098 . 1 . . . . 86 ILE CA . 25411 1 806 . 1 1 86 86 ILE CB C 13 34.412 0.241 . 1 . . . . 86 ILE CB . 25411 1 807 . 1 1 86 86 ILE CG1 C 13 28.365 0.115 . 1 . . . . 86 ILE CG1 . 25411 1 808 . 1 1 86 86 ILE CG2 C 13 16.265 0.233 . 1 . . . . 86 ILE CG2 . 25411 1 809 . 1 1 86 86 ILE CD1 C 13 9.198 0.225 . 1 . . . . 86 ILE CD1 . 25411 1 810 . 1 1 86 86 ILE N N 15 117.000 0.075 . 1 . . . . 86 ILE N . 25411 1 811 . 1 1 87 87 LYS HA H 1 3.226 0.035 . 1 . . . . 87 LYS HA . 25411 1 812 . 1 1 87 87 LYS HB2 H 1 1.706 0.046 . 1 . . . . 87 LYS HB2 . 25411 1 813 . 1 1 87 87 LYS HB3 H 1 1.706 0.046 . 1 . . . . 87 LYS HB3 . 25411 1 814 . 1 1 87 87 LYS HD2 H 1 1.561 0.006 . 1 . . . . 87 LYS HD2 . 25411 1 815 . 1 1 87 87 LYS HD3 H 1 1.561 0.006 . 1 . . . . 87 LYS HD3 . 25411 1 816 . 1 1 87 87 LYS CA C 13 59.996 0.384 . 1 . . . . 87 LYS CA . 25411 1 817 . 1 1 87 87 LYS CB C 13 31.050 0.175 . 1 . . . . 87 LYS CB . 25411 1 818 . 1 1 87 87 LYS CG C 13 23.881 0.039 . 1 . . . . 87 LYS CG . 25411 1 819 . 1 1 87 87 LYS CD C 13 29.118 0.283 . 1 . . . . 87 LYS CD . 25411 1 820 . 1 1 87 87 LYS CE C 13 41.927 0.099 . 1 . . . . 87 LYS CE . 25411 1 821 . 1 1 88 88 GLU H H 1 7.689 0.014 . 1 . . . . 88 GLU H . 25411 1 822 . 1 1 88 88 GLU HA H 1 3.847 0.021 . 1 . . . . 88 GLU HA . 25411 1 823 . 1 1 88 88 GLU HB2 H 1 1.977 0.029 . 1 . . . . 88 GLU HB2 . 25411 1 824 . 1 1 88 88 GLU HB3 H 1 1.977 0.029 . 1 . . . . 88 GLU HB3 . 25411 1 825 . 1 1 88 88 GLU HG2 H 1 2.248 0.010 . 1 . . . . 88 GLU HG2 . 25411 1 826 . 1 1 88 88 GLU HG3 H 1 2.248 0.010 . 1 . . . . 88 GLU HG3 . 25411 1 827 . 1 1 88 88 GLU CA C 13 58.911 0.254 . 1 . . . . 88 GLU CA . 25411 1 828 . 1 1 88 88 GLU CB C 13 28.969 0.263 . 1 . . . . 88 GLU CB . 25411 1 829 . 1 1 88 88 GLU CG C 13 35.479 0.302 . 1 . . . . 88 GLU CG . 25411 1 830 . 1 1 88 88 GLU N N 15 116.404 0.075 . 1 . . . . 88 GLU N . 25411 1 831 . 1 1 89 89 LEU H H 1 7.415 0.026 . 1 . . . . 89 LEU H . 25411 1 832 . 1 1 89 89 LEU HA H 1 3.889 0.021 . 1 . . . . 89 LEU HA . 25411 1 833 . 1 1 89 89 LEU HB2 H 1 2.455 0.034 . 2 . . . . 89 LEU HB2 . 25411 1 834 . 1 1 89 89 LEU HB3 H 1 1.216 0.026 . 2 . . . . 89 LEU HB3 . 25411 1 835 . 1 1 89 89 LEU CA C 13 57.963 0.271 . 1 . . . . 89 LEU CA . 25411 1 836 . 1 1 89 89 LEU CB C 13 41.300 0.159 . 1 . . . . 89 LEU CB . 25411 1 837 . 1 1 89 89 LEU CG C 13 25.820 0.030 . 1 . . . . 89 LEU CG . 25411 1 838 . 1 1 89 89 LEU CD1 C 13 22.671 0.030 . 2 . . . . 89 LEU CD1 . 25411 1 839 . 1 1 89 89 LEU CD2 C 13 23.941 0.030 . 2 . . . . 89 LEU CD2 . 25411 1 840 . 1 1 89 89 LEU N N 15 118.193 0.076 . 1 . . . . 89 LEU N . 25411 1 841 . 1 1 90 90 ILE H H 1 7.718 0.013 . 1 . . . . 90 ILE H . 25411 1 842 . 1 1 90 90 ILE HA H 1 3.418 0.012 . 1 . . . . 90 ILE HA . 25411 1 843 . 1 1 90 90 ILE HB H 1 1.334 0.010 . 1 . . . . 90 ILE HB . 25411 1 844 . 1 1 90 90 ILE HG12 H 1 1.503 0.016 . 2 . . . . 90 ILE HG12 . 25411 1 845 . 1 1 90 90 ILE HG13 H 1 1.354 0.013 . 2 . . . . 90 ILE HG13 . 25411 1 846 . 1 1 90 90 ILE HG21 H 1 0.418 0.021 . 1 . . . . 90 ILE MG . 25411 1 847 . 1 1 90 90 ILE HG22 H 1 0.418 0.021 . 1 . . . . 90 ILE MG . 25411 1 848 . 1 1 90 90 ILE HG23 H 1 0.418 0.021 . 1 . . . . 90 ILE MG . 25411 1 849 . 1 1 90 90 ILE HD11 H 1 0.229 0.016 . 1 . . . . 90 ILE MD . 25411 1 850 . 1 1 90 90 ILE HD12 H 1 0.229 0.016 . 1 . . . . 90 ILE MD . 25411 1 851 . 1 1 90 90 ILE HD13 H 1 0.229 0.016 . 1 . . . . 90 ILE MD . 25411 1 852 . 1 1 90 90 ILE CA C 13 64.908 0.276 . 1 . . . . 90 ILE CA . 25411 1 853 . 1 1 90 90 ILE CB C 13 37.594 0.276 . 1 . . . . 90 ILE CB . 25411 1 854 . 1 1 90 90 ILE CG1 C 13 29.350 0.117 . 1 . . . . 90 ILE CG1 . 25411 1 855 . 1 1 90 90 ILE CG2 C 13 17.194 0.232 . 1 . . . . 90 ILE CG2 . 25411 1 856 . 1 1 90 90 ILE CD1 C 13 13.990 0.215 . 1 . . . . 90 ILE CD1 . 25411 1 857 . 1 1 90 90 ILE N N 15 115.471 0.054 . 1 . . . . 90 ILE N . 25411 1 858 . 1 1 91 91 ASP HA H 1 3.720 0.003 . 1 . . . . 91 ASP HA . 25411 1 859 . 1 1 91 91 ASP HB2 H 1 1.787 0.035 . 1 . . . . 91 ASP HB2 . 25411 1 860 . 1 1 91 91 ASP HB3 H 1 1.787 0.035 . 1 . . . . 91 ASP HB3 . 25411 1 861 . 1 1 91 91 ASP CA C 13 57.664 0.030 . 1 . . . . 91 ASP CA . 25411 1 862 . 1 1 91 91 ASP CB C 13 40.532 0.022 . 1 . . . . 91 ASP CB . 25411 1 863 . 1 1 92 92 LYS H H 1 7.869 0.018 . 1 . . . . 92 LYS H . 25411 1 864 . 1 1 92 92 LYS CA C 13 58.897 0.030 . 1 . . . . 92 LYS CA . 25411 1 865 . 1 1 92 92 LYS CB C 13 31.988 0.030 . 1 . . . . 92 LYS CB . 25411 1 866 . 1 1 92 92 LYS N N 15 119.253 0.074 . 1 . . . . 92 LYS N . 25411 1 867 . 1 1 93 93 LYS HA H 1 4.531 0.037 . 1 . . . . 93 LYS HA . 25411 1 868 . 1 1 93 93 LYS HB2 H 1 2.013 0.025 . 2 . . . . 93 LYS HB2 . 25411 1 869 . 1 1 93 93 LYS HB3 H 1 2.681 0.016 . 2 . . . . 93 LYS HB3 . 25411 1 870 . 1 1 93 93 LYS HG2 H 1 1.260 0.041 . 2 . . . . 93 LYS HG2 . 25411 1 871 . 1 1 93 93 LYS HG3 H 1 1.832 0.002 . 2 . . . . 93 LYS HG3 . 25411 1 872 . 1 1 93 93 LYS HD2 H 1 1.710 0.017 . 1 . . . . 93 LYS HD2 . 25411 1 873 . 1 1 93 93 LYS HD3 H 1 1.710 0.017 . 1 . . . . 93 LYS HD3 . 25411 1 874 . 1 1 93 93 LYS HE2 H 1 2.975 0.018 . 1 . . . . 93 LYS HE2 . 25411 1 875 . 1 1 93 93 LYS HE3 H 1 2.975 0.018 . 1 . . . . 93 LYS HE3 . 25411 1 876 . 1 1 93 93 LYS CA C 13 55.258 0.280 . 1 . . . . 93 LYS CA . 25411 1 877 . 1 1 93 93 LYS CB C 13 32.169 0.103 . 1 . . . . 93 LYS CB . 25411 1 878 . 1 1 93 93 LYS CG C 13 24.703 0.166 . 1 . . . . 93 LYS CG . 25411 1 879 . 1 1 93 93 LYS CD C 13 29.014 0.281 . 1 . . . . 93 LYS CD . 25411 1 880 . 1 1 93 93 LYS CE C 13 41.797 0.274 . 1 . . . . 93 LYS CE . 25411 1 881 . 1 1 94 94 GLU H H 1 8.393 0.019 . 1 . . . . 94 GLU H . 25411 1 882 . 1 1 94 94 GLU HA H 1 4.133 0.029 . 1 . . . . 94 GLU HA . 25411 1 883 . 1 1 94 94 GLU HB2 H 1 2.193 0.030 . 1 . . . . 94 GLU HB2 . 25411 1 884 . 1 1 94 94 GLU HB3 H 1 2.193 0.030 . 1 . . . . 94 GLU HB3 . 25411 1 885 . 1 1 94 94 GLU CA C 13 59.319 0.468 . 1 . . . . 94 GLU CA . 25411 1 886 . 1 1 94 94 GLU CB C 13 27.375 0.070 . 1 . . . . 94 GLU CB . 25411 1 887 . 1 1 94 94 GLU N N 15 116.729 0.031 . 1 . . . . 94 GLU N . 25411 1 888 . 1 1 95 95 VAL H H 1 7.923 0.014 . 1 . . . . 95 VAL H . 25411 1 889 . 1 1 95 95 VAL HA H 1 4.482 0.002 . 1 . . . . 95 VAL HA . 25411 1 890 . 1 1 95 95 VAL HB H 1 1.072 0.018 . 1 . . . . 95 VAL HB . 25411 1 891 . 1 1 95 95 VAL HG11 H 1 0.515 0.007 . 2 . . . . 95 VAL MG1 . 25411 1 892 . 1 1 95 95 VAL HG12 H 1 0.515 0.007 . 2 . . . . 95 VAL MG1 . 25411 1 893 . 1 1 95 95 VAL HG13 H 1 0.515 0.007 . 2 . . . . 95 VAL MG1 . 25411 1 894 . 1 1 95 95 VAL HG21 H 1 0.484 0.035 . 2 . . . . 95 VAL MG2 . 25411 1 895 . 1 1 95 95 VAL HG22 H 1 0.484 0.035 . 2 . . . . 95 VAL MG2 . 25411 1 896 . 1 1 95 95 VAL HG23 H 1 0.484 0.035 . 2 . . . . 95 VAL MG2 . 25411 1 897 . 1 1 95 95 VAL CA C 13 66.721 0.109 . 1 . . . . 95 VAL CA . 25411 1 898 . 1 1 95 95 VAL CB C 13 33.894 0.119 . 1 . . . . 95 VAL CB . 25411 1 899 . 1 1 95 95 VAL CG1 C 13 20.961 0.261 . 2 . . . . 95 VAL CG1 . 25411 1 900 . 1 1 95 95 VAL CG2 C 13 23.738 0.030 . 2 . . . . 95 VAL CG2 . 25411 1 901 . 1 1 95 95 VAL N N 15 121.696 0.083 . 1 . . . . 95 VAL N . 25411 1 902 . 1 1 97 97 PRO HA H 1 4.358 0.022 . 1 . . . . 97 PRO HA . 25411 1 903 . 1 1 97 97 PRO HB2 H 1 1.827 0.056 . 2 . . . . 97 PRO HB2 . 25411 1 904 . 1 1 97 97 PRO HB3 H 1 2.219 0.004 . 2 . . . . 97 PRO HB3 . 25411 1 905 . 1 1 97 97 PRO HG2 H 1 1.955 0.004 . 2 . . . . 97 PRO HG2 . 25411 1 906 . 1 1 97 97 PRO HG3 H 1 1.919 0.004 . 2 . . . . 97 PRO HG3 . 25411 1 907 . 1 1 97 97 PRO HD2 H 1 3.723 0.017 . 1 . . . . 97 PRO HD2 . 25411 1 908 . 1 1 97 97 PRO HD3 H 1 3.723 0.020 . 1 . . . . 97 PRO HD3 . 25411 1 909 . 1 1 97 97 PRO CA C 13 62.607 0.369 . 1 . . . . 97 PRO CA . 25411 1 910 . 1 1 97 97 PRO CB C 13 31.874 0.041 . 1 . . . . 97 PRO CB . 25411 1 911 . 1 1 97 97 PRO CG C 13 26.855 0.044 . 1 . . . . 97 PRO CG . 25411 1 912 . 1 1 97 97 PRO CD C 13 50.466 0.277 . 1 . . . . 97 PRO CD . 25411 1 913 . 1 1 98 98 GLN H H 1 8.359 0.028 . 1 . . . . 98 GLN H . 25411 1 914 . 1 1 98 98 GLN HA H 1 3.925 0.024 . 1 . . . . 98 GLN HA . 25411 1 915 . 1 1 98 98 GLN HB2 H 1 2.181 0.024 . 2 . . . . 98 GLN HB2 . 25411 1 916 . 1 1 98 98 GLN HB3 H 1 2.417 0.038 . 2 . . . . 98 GLN HB3 . 25411 1 917 . 1 1 98 98 GLN HG2 H 1 2.347 0.021 . 1 . . . . 98 GLN HG2 . 25411 1 918 . 1 1 98 98 GLN HG3 H 1 2.347 0.021 . 1 . . . . 98 GLN HG3 . 25411 1 919 . 1 1 98 98 GLN CA C 13 58.608 0.233 . 1 . . . . 98 GLN CA . 25411 1 920 . 1 1 98 98 GLN CB C 13 28.521 0.421 . 1 . . . . 98 GLN CB . 25411 1 921 . 1 1 98 98 GLN CG C 13 33.524 0.290 . 1 . . . . 98 GLN CG . 25411 1 922 . 1 1 98 98 GLN N N 15 117.731 0.080 . 1 . . . . 98 GLN N . 25411 1 923 . 1 1 99 99 VAL H H 1 7.901 0.015 . 1 . . . . 99 VAL H . 25411 1 924 . 1 1 99 99 VAL HA H 1 3.420 0.029 . 1 . . . . 99 VAL HA . 25411 1 925 . 1 1 99 99 VAL HB H 1 2.117 0.029 . 1 . . . . 99 VAL HB . 25411 1 926 . 1 1 99 99 VAL HG11 H 1 0.791 0.028 . 2 . . . . 99 VAL MG1 . 25411 1 927 . 1 1 99 99 VAL HG12 H 1 0.791 0.028 . 2 . . . . 99 VAL MG1 . 25411 1 928 . 1 1 99 99 VAL HG13 H 1 0.791 0.028 . 2 . . . . 99 VAL MG1 . 25411 1 929 . 1 1 99 99 VAL HG21 H 1 0.832 0.023 . 2 . . . . 99 VAL MG2 . 25411 1 930 . 1 1 99 99 VAL HG22 H 1 0.832 0.023 . 2 . . . . 99 VAL MG2 . 25411 1 931 . 1 1 99 99 VAL HG23 H 1 0.832 0.023 . 2 . . . . 99 VAL MG2 . 25411 1 932 . 1 1 99 99 VAL CA C 13 66.404 0.255 . 1 . . . . 99 VAL CA . 25411 1 933 . 1 1 99 99 VAL CB C 13 31.619 0.177 . 1 . . . . 99 VAL CB . 25411 1 934 . 1 1 99 99 VAL CG1 C 13 25.380 0.030 . 2 . . . . 99 VAL CG1 . 25411 1 935 . 1 1 99 99 VAL CG2 C 13 21.776 0.361 . 2 . . . . 99 VAL CG2 . 25411 1 936 . 1 1 99 99 VAL N N 15 121.326 0.082 . 1 . . . . 99 VAL N . 25411 1 937 . 1 1 100 100 MET H H 1 7.509 0.046 . 1 . . . . 100 MET H . 25411 1 938 . 1 1 100 100 MET HA H 1 3.812 0.043 . 1 . . . . 100 MET HA . 25411 1 939 . 1 1 100 100 MET HB2 H 1 1.442 0.001 . 1 . . . . 100 MET HB2 . 25411 1 940 . 1 1 100 100 MET HB3 H 1 1.442 0.001 . 1 . . . . 100 MET HB3 . 25411 1 941 . 1 1 100 100 MET CA C 13 59.297 0.055 . 1 . . . . 100 MET CA . 25411 1 942 . 1 1 100 100 MET CB C 13 32.099 0.092 . 1 . . . . 100 MET CB . 25411 1 943 . 1 1 100 100 MET N N 15 120.447 0.099 . 1 . . . . 100 MET N . 25411 1 944 . 1 1 101 101 ALA H H 1 7.889 0.013 . 1 . . . . 101 ALA H . 25411 1 945 . 1 1 101 101 ALA HA H 1 4.210 0.008 . 1 . . . . 101 ALA HA . 25411 1 946 . 1 1 101 101 ALA HB1 H 1 1.396 0.022 . 1 . . . . 101 ALA MB . 25411 1 947 . 1 1 101 101 ALA HB2 H 1 1.396 0.022 . 1 . . . . 101 ALA MB . 25411 1 948 . 1 1 101 101 ALA HB3 H 1 1.396 0.022 . 1 . . . . 101 ALA MB . 25411 1 949 . 1 1 101 101 ALA CA C 13 54.752 0.292 . 1 . . . . 101 ALA CA . 25411 1 950 . 1 1 101 101 ALA CB C 13 17.521 0.249 . 1 . . . . 101 ALA CB . 25411 1 951 . 1 1 101 101 ALA N N 15 119.458 0.072 . 1 . . . . 101 ALA N . 25411 1 952 . 1 1 102 102 ALA H H 1 7.563 0.065 . 1 . . . . 102 ALA H . 25411 1 953 . 1 1 102 102 ALA HA H 1 3.993 0.016 . 1 . . . . 102 ALA HA . 25411 1 954 . 1 1 102 102 ALA HB1 H 1 1.292 0.016 . 1 . . . . 102 ALA MB . 25411 1 955 . 1 1 102 102 ALA HB2 H 1 1.292 0.016 . 1 . . . . 102 ALA MB . 25411 1 956 . 1 1 102 102 ALA HB3 H 1 1.292 0.016 . 1 . . . . 102 ALA MB . 25411 1 957 . 1 1 102 102 ALA CA C 13 54.888 0.285 . 1 . . . . 102 ALA CA . 25411 1 958 . 1 1 102 102 ALA CB C 13 17.344 0.227 . 1 . . . . 102 ALA CB . 25411 1 959 . 1 1 102 102 ALA N N 15 119.627 0.078 . 1 . . . . 102 ALA N . 25411 1 960 . 1 1 103 103 VAL H H 1 8.828 0.025 . 1 . . . . 103 VAL H . 25411 1 961 . 1 1 103 103 VAL HA H 1 4.073 0.022 . 1 . . . . 103 VAL HA . 25411 1 962 . 1 1 103 103 VAL HB H 1 1.913 0.018 . 1 . . . . 103 VAL HB . 25411 1 963 . 1 1 103 103 VAL HG11 H 1 0.773 0.029 . 2 . . . . 103 VAL MG1 . 25411 1 964 . 1 1 103 103 VAL HG12 H 1 0.773 0.029 . 2 . . . . 103 VAL MG1 . 25411 1 965 . 1 1 103 103 VAL HG13 H 1 0.773 0.029 . 2 . . . . 103 VAL MG1 . 25411 1 966 . 1 1 103 103 VAL HG21 H 1 1.003 0.023 . 2 . . . . 103 VAL MG2 . 25411 1 967 . 1 1 103 103 VAL HG22 H 1 1.003 0.023 . 2 . . . . 103 VAL MG2 . 25411 1 968 . 1 1 103 103 VAL HG23 H 1 1.003 0.023 . 2 . . . . 103 VAL MG2 . 25411 1 969 . 1 1 103 103 VAL CA C 13 61.685 0.378 . 1 . . . . 103 VAL CA . 25411 1 970 . 1 1 103 103 VAL CB C 13 33.222 0.030 . 1 . . . . 103 VAL CB . 25411 1 971 . 1 1 103 103 VAL CG1 C 13 25.188 0.030 . 2 . . . . 103 VAL CG1 . 25411 1 972 . 1 1 103 103 VAL CG2 C 13 20.874 0.264 . 2 . . . . 103 VAL CG2 . 25411 1 973 . 1 1 103 103 VAL N N 15 122.690 0.049 . 1 . . . . 103 VAL N . 25411 1 974 . 1 1 104 104 ALA H H 1 8.367 0.016 . 1 . . . . 104 ALA H . 25411 1 975 . 1 1 104 104 ALA HA H 1 4.269 0.011 . 1 . . . . 104 ALA HA . 25411 1 976 . 1 1 104 104 ALA HB1 H 1 1.260 0.047 . 1 . . . . 104 ALA MB . 25411 1 977 . 1 1 104 104 ALA HB2 H 1 1.260 0.047 . 1 . . . . 104 ALA MB . 25411 1 978 . 1 1 104 104 ALA HB3 H 1 1.260 0.047 . 1 . . . . 104 ALA MB . 25411 1 979 . 1 1 104 104 ALA CA C 13 52.141 0.346 . 1 . . . . 104 ALA CA . 25411 1 980 . 1 1 104 104 ALA CB C 13 18.940 0.069 . 1 . . . . 104 ALA CB . 25411 1 981 . 1 1 104 104 ALA N N 15 128.041 0.057 . 1 . . . . 104 ALA N . 25411 1 982 . 1 1 105 105 GLN H H 1 8.356 0.017 . 1 . . . . 105 GLN H . 25411 1 983 . 1 1 105 105 GLN CA C 13 56.931 0.030 . 1 . . . . 105 GLN CA . 25411 1 984 . 1 1 105 105 GLN CB C 13 29.020 0.030 . 1 . . . . 105 GLN CB . 25411 1 985 . 1 1 105 105 GLN N N 15 120.265 0.048 . 1 . . . . 105 GLN N . 25411 1 986 . 1 1 106 106 THR HA H 1 4.320 0.017 . 1 . . . . 106 THR HA . 25411 1 987 . 1 1 106 106 THR HB H 1 4.210 0.003 . 1 . . . . 106 THR HB . 25411 1 988 . 1 1 106 106 THR HG21 H 1 1.102 0.031 . 1 . . . . 106 THR HG21 . 25411 1 989 . 1 1 106 106 THR HG22 H 1 1.102 0.031 . 1 . . . . 106 THR HG22 . 25411 1 990 . 1 1 106 106 THR HG23 H 1 1.102 0.031 . 1 . . . . 106 THR HG23 . 25411 1 991 . 1 1 106 106 THR CA C 13 61.346 0.369 . 1 . . . . 106 THR CA . 25411 1 992 . 1 1 106 106 THR CB C 13 69.293 0.362 . 1 . . . . 106 THR CB . 25411 1 993 . 1 1 106 106 THR CG2 C 13 20.691 0.389 . 1 . . . . 106 THR CG2 . 25411 1 994 . 1 1 107 107 GLU H H 1 8.404 0.029 . 1 . . . . 107 GLU H . 25411 1 995 . 1 1 107 107 GLU HA H 1 4.182 0.028 . 1 . . . . 107 GLU HA . 25411 1 996 . 1 1 107 107 GLU HB2 H 1 1.884 0.020 . 1 . . . . 107 GLU HB2 . 25411 1 997 . 1 1 107 107 GLU HB3 H 1 1.884 0.020 . 1 . . . . 107 GLU HB3 . 25411 1 998 . 1 1 107 107 GLU CA C 13 56.576 0.067 . 1 . . . . 107 GLU CA . 25411 1 999 . 1 1 107 107 GLU CB C 13 29.936 0.298 . 1 . . . . 107 GLU CB . 25411 1 1000 . 1 1 107 107 GLU CG C 13 36.191 0.030 . 1 . . . . 107 GLU CG . 25411 1 1001 . 1 1 107 107 GLU N N 15 122.706 0.030 . 1 . . . . 107 GLU N . 25411 1 1002 . 1 1 108 108 GLU H H 1 7.341 0.036 . 1 . . . . 108 GLU H . 25411 1 1003 . 1 1 108 108 GLU HA H 1 4.161 0.026 . 1 . . . . 108 GLU HA . 25411 1 1004 . 1 1 108 108 GLU HB2 H 1 1.830 0.014 . 1 . . . . 108 GLU HB2 . 25411 1 1005 . 1 1 108 108 GLU HB3 H 1 1.830 0.014 . 1 . . . . 108 GLU HB3 . 25411 1 1006 . 1 1 108 108 GLU HG2 H 1 2.138 0.036 . 1 . . . . 108 GLU HG2 . 25411 1 1007 . 1 1 108 108 GLU HG3 H 1 2.138 0.036 . 1 . . . . 108 GLU HG3 . 25411 1 1008 . 1 1 108 108 GLU CA C 13 56.649 0.300 . 1 . . . . 108 GLU CA . 25411 1 1009 . 1 1 108 108 GLU CB C 13 29.676 0.396 . 1 . . . . 108 GLU CB . 25411 1 1010 . 1 1 108 108 GLU CG C 13 35.882 0.306 . 1 . . . . 108 GLU CG . 25411 1 1011 . 1 1 108 108 GLU N N 15 122.034 0.048 . 1 . . . . 108 GLU N . 25411 1 1012 . 1 1 109 109 ILE H H 1 8.058 0.042 . 1 . . . . 109 ILE H . 25411 1 1013 . 1 1 109 109 ILE HA H 1 4.047 0.028 . 1 . . . . 109 ILE HA . 25411 1 1014 . 1 1 109 109 ILE HB H 1 1.787 0.015 . 1 . . . . 109 ILE HB . 25411 1 1015 . 1 1 109 109 ILE HG12 H 1 1.124 0.011 . 2 . . . . 109 ILE HG12 . 25411 1 1016 . 1 1 109 109 ILE HG13 H 1 1.417 0.006 . 2 . . . . 109 ILE HG13 . 25411 1 1017 . 1 1 109 109 ILE HG21 H 1 0.833 0.009 . 1 . . . . 109 ILE MG . 25411 1 1018 . 1 1 109 109 ILE HG22 H 1 0.833 0.009 . 1 . . . . 109 ILE MG . 25411 1 1019 . 1 1 109 109 ILE HG23 H 1 0.833 0.009 . 1 . . . . 109 ILE MG . 25411 1 1020 . 1 1 109 109 ILE HD11 H 1 0.790 0.010 . 1 . . . . 109 ILE MD . 25411 1 1021 . 1 1 109 109 ILE HD12 H 1 0.790 0.010 . 1 . . . . 109 ILE MD . 25411 1 1022 . 1 1 109 109 ILE HD13 H 1 0.790 0.010 . 1 . . . . 109 ILE MD . 25411 1 1023 . 1 1 109 109 ILE CA C 13 61.565 0.340 . 1 . . . . 109 ILE CA . 25411 1 1024 . 1 1 109 109 ILE CB C 13 38.104 0.288 . 1 . . . . 109 ILE CB . 25411 1 1025 . 1 1 109 109 ILE CG1 C 13 27.349 0.158 . 1 . . . . 109 ILE CG1 . 25411 1 1026 . 1 1 109 109 ILE CG2 C 13 17.203 0.256 . 1 . . . . 109 ILE CG2 . 25411 1 1027 . 1 1 109 109 ILE CD1 C 13 12.459 0.266 . 1 . . . . 109 ILE CD1 . 25411 1 1028 . 1 1 109 109 ILE N N 15 122.151 0.055 . 1 . . . . 109 ILE N . 25411 1 1029 . 1 1 110 110 LEU H H 1 8.194 0.011 . 1 . . . . 110 LEU H . 25411 1 1030 . 1 1 110 110 LEU HA H 1 4.276 0.008 . 1 . . . . 110 LEU HA . 25411 1 1031 . 1 1 110 110 LEU HB2 H 1 1.621 0.024 . 1 . . . . 110 LEU HB2 . 25411 1 1032 . 1 1 110 110 LEU HB3 H 1 1.621 0.024 . 1 . . . . 110 LEU HB3 . 25411 1 1033 . 1 1 110 110 LEU CA C 13 55.151 0.311 . 1 . . . . 110 LEU CA . 25411 1 1034 . 1 1 110 110 LEU CB C 13 41.861 0.074 . 1 . . . . 110 LEU CB . 25411 1 1035 . 1 1 110 110 LEU CG C 13 27.501 0.030 . 1 . . . . 110 LEU CG . 25411 1 1036 . 1 1 110 110 LEU CD1 C 13 23.185 0.014 . 2 . . . . 110 LEU CD1 . 25411 1 1037 . 1 1 110 110 LEU CD2 C 13 24.889 0.030 . 2 . . . . 110 LEU CD2 . 25411 1 1038 . 1 1 110 110 LEU N N 15 122.427 0.211 . 1 . . . . 110 LEU N . 25411 1 1039 . 1 1 111 111 LYS HA H 1 4.247 0.026 . 1 . . . . 111 LYS HA . 25411 1 1040 . 1 1 111 111 LYS HB2 H 1 1.705 0.032 . 2 . . . . 111 LYS HB2 . 25411 1 1041 . 1 1 111 111 LYS HB3 H 1 1.876 0.032 . 2 . . . . 111 LYS HB3 . 25411 1 1042 . 1 1 111 111 LYS HG2 H 1 1.373 0.019 . 1 . . . . 111 LYS HG2 . 25411 1 1043 . 1 1 111 111 LYS HG3 H 1 1.373 0.019 . 1 . . . . 111 LYS HG3 . 25411 1 1044 . 1 1 111 111 LYS HD2 H 1 1.538 0.013 . 1 . . . . 111 LYS HD2 . 25411 1 1045 . 1 1 111 111 LYS HD3 H 1 1.538 0.013 . 1 . . . . 111 LYS HD3 . 25411 1 1046 . 1 1 111 111 LYS HE2 H 1 2.931 0.036 . 1 . . . . 111 LYS HE2 . 25411 1 1047 . 1 1 111 111 LYS HE3 H 1 2.931 0.036 . 1 . . . . 111 LYS HE3 . 25411 1 1048 . 1 1 111 111 LYS CA C 13 56.137 0.254 . 1 . . . . 111 LYS CA . 25411 1 1049 . 1 1 111 111 LYS CB C 13 32.569 0.221 . 1 . . . . 111 LYS CB . 25411 1 1050 . 1 1 111 111 LYS CG C 13 24.493 0.236 . 1 . . . . 111 LYS CG . 25411 1 1051 . 1 1 111 111 LYS CD C 13 28.053 0.257 . 1 . . . . 111 LYS CD . 25411 1 1052 . 1 1 111 111 LYS CE C 13 41.654 0.108 . 1 . . . . 111 LYS CE . 25411 1 1053 . 1 1 112 112 SER H H 1 8.204 0.006 . 1 . . . . 112 SER H . 25411 1 1054 . 1 1 112 112 SER HA H 1 4.175 0.030 . 1 . . . . 112 SER HA . 25411 1 1055 . 1 1 112 112 SER HB2 H 1 3.861 0.024 . 1 . . . . 112 SER HB2 . 25411 1 1056 . 1 1 112 112 SER HB3 H 1 3.861 0.024 . 1 . . . . 112 SER HB3 . 25411 1 1057 . 1 1 112 112 SER CA C 13 58.311 0.071 . 1 . . . . 112 SER CA . 25411 1 1058 . 1 1 112 112 SER CB C 13 63.441 0.364 . 1 . . . . 112 SER CB . 25411 1 1059 . 1 1 112 112 SER N N 15 116.453 0.145 . 1 . . . . 112 SER N . 25411 1 1060 . 1 1 113 113 ASN H H 1 7.944 0.005 . 1 . . . . 113 ASN H . 25411 1 1061 . 1 1 113 113 ASN HA H 1 4.644 0.048 . 1 . . . . 113 ASN HA . 25411 1 1062 . 1 1 113 113 ASN HB2 H 1 2.738 0.016 . 1 . . . . 113 ASN HB2 . 25411 1 1063 . 1 1 113 113 ASN HB3 H 1 2.738 0.016 . 1 . . . . 113 ASN HB3 . 25411 1 1064 . 1 1 113 113 ASN CA C 13 53.645 0.410 . 1 . . . . 113 ASN CA . 25411 1 1065 . 1 1 113 113 ASN CB C 13 38.646 0.305 . 1 . . . . 113 ASN CB . 25411 1 1066 . 1 1 113 113 ASN N N 15 119.747 0.037 . 1 . . . . 113 ASN N . 25411 1 1067 . 1 1 114 114 SER H H 1 7.962 0.006 . 1 . . . . 114 SER H . 25411 1 1068 . 1 1 114 114 SER HA H 1 4.336 0.040 . 1 . . . . 114 SER HA . 25411 1 1069 . 1 1 114 114 SER HB2 H 1 3.808 0.007 . 1 . . . . 114 SER HB2 . 25411 1 1070 . 1 1 114 114 SER HB3 H 1 3.808 0.007 . 1 . . . . 114 SER HB3 . 25411 1 1071 . 1 1 114 114 SER CA C 13 58.711 0.273 . 1 . . . . 114 SER CA . 25411 1 1072 . 1 1 114 114 SER CB C 13 63.308 0.343 . 1 . . . . 114 SER CB . 25411 1 1073 . 1 1 114 114 SER N N 15 115.433 0.049 . 1 . . . . 114 SER N . 25411 1 1074 . 1 1 115 115 GLN H H 1 8.207 0.011 . 1 . . . . 115 GLN H . 25411 1 1075 . 1 1 115 115 GLN HA H 1 4.274 0.010 . 1 . . . . 115 GLN HA . 25411 1 1076 . 1 1 115 115 GLN HB2 H 1 1.914 0.061 . 1 . . . . 115 GLN HB2 . 25411 1 1077 . 1 1 115 115 GLN HB3 H 1 1.914 0.061 . 1 . . . . 115 GLN HB3 . 25411 1 1078 . 1 1 115 115 GLN CA C 13 56.193 0.030 . 1 . . . . 115 GLN CA . 25411 1 1079 . 1 1 115 115 GLN CB C 13 28.807 0.030 . 1 . . . . 115 GLN CB . 25411 1 1080 . 1 1 115 115 GLN N N 15 121.682 0.051 . 1 . . . . 115 GLN N . 25411 1 1081 . 1 1 116 116 THR H H 1 8.062 0.011 . 1 . . . . 116 THR H . 25411 1 1082 . 1 1 116 116 THR HA H 1 4.225 0.013 . 1 . . . . 116 THR HA . 25411 1 1083 . 1 1 116 116 THR HB H 1 4.154 0.012 . 1 . . . . 116 THR HB . 25411 1 1084 . 1 1 116 116 THR HG21 H 1 1.132 0.005 . 1 . . . . 116 THR HG21 . 25411 1 1085 . 1 1 116 116 THR HG22 H 1 1.132 0.005 . 1 . . . . 116 THR HG22 . 25411 1 1086 . 1 1 116 116 THR HG23 H 1 1.132 0.005 . 1 . . . . 116 THR HG23 . 25411 1 1087 . 1 1 116 116 THR CA C 13 62.109 0.240 . 1 . . . . 116 THR CA . 25411 1 1088 . 1 1 116 116 THR CB C 13 69.336 0.286 . 1 . . . . 116 THR CB . 25411 1 1089 . 1 1 116 116 THR CG2 C 13 20.813 0.383 . 1 . . . . 116 THR CG2 . 25411 1 1090 . 1 1 116 116 THR N N 15 114.715 0.034 . 1 . . . . 116 THR N . 25411 1 1091 . 1 1 117 117 ASP H H 1 8.065 0.012 . 1 . . . . 117 ASP H . 25411 1 1092 . 1 1 117 117 ASP HA H 1 4.568 0.031 . 1 . . . . 117 ASP HA . 25411 1 1093 . 1 1 117 117 ASP HB2 H 1 2.598 0.029 . 2 . . . . 117 ASP HB2 . 25411 1 1094 . 1 1 117 117 ASP HB3 H 1 2.679 0.016 . 2 . . . . 117 ASP HB3 . 25411 1 1095 . 1 1 117 117 ASP CA C 13 54.204 0.278 . 1 . . . . 117 ASP CA . 25411 1 1096 . 1 1 117 117 ASP CB C 13 40.665 0.280 . 1 . . . . 117 ASP CB . 25411 1 1097 . 1 1 117 117 ASP N N 15 122.602 0.053 . 1 . . . . 117 ASP N . 25411 1 1098 . 1 1 118 118 LEU H H 1 8.085 0.011 . 1 . . . . 118 LEU H . 25411 1 1099 . 1 1 118 118 LEU HA H 1 4.155 0.013 . 1 . . . . 118 LEU HA . 25411 1 1100 . 1 1 118 118 LEU HB2 H 1 1.474 0.040 . 2 . . . . 118 LEU HB2 . 25411 1 1101 . 1 1 118 118 LEU HB3 H 1 1.417 0.003 . 2 . . . . 118 LEU HB3 . 25411 1 1102 . 1 1 118 118 LEU HG H 1 1.542 0.023 . 1 . . . . 118 LEU HG . 25411 1 1103 . 1 1 118 118 LEU HD11 H 1 0.767 0.006 . 2 . . . . 118 LEU MD1 . 25411 1 1104 . 1 1 118 118 LEU HD12 H 1 0.767 0.006 . 2 . . . . 118 LEU MD1 . 25411 1 1105 . 1 1 118 118 LEU HD13 H 1 0.767 0.006 . 2 . . . . 118 LEU MD1 . 25411 1 1106 . 1 1 118 118 LEU HD21 H 1 0.825 0.027 . 2 . . . . 118 LEU MD2 . 25411 1 1107 . 1 1 118 118 LEU HD22 H 1 0.825 0.027 . 2 . . . . 118 LEU MD2 . 25411 1 1108 . 1 1 118 118 LEU HD23 H 1 0.825 0.027 . 2 . . . . 118 LEU MD2 . 25411 1 1109 . 1 1 118 118 LEU CA C 13 55.423 0.240 . 1 . . . . 118 LEU CA . 25411 1 1110 . 1 1 118 118 LEU CB C 13 41.873 0.132 . 1 . . . . 118 LEU CB . 25411 1 1111 . 1 1 118 118 LEU CG C 13 26.556 0.078 . 1 . . . . 118 LEU CG . 25411 1 1112 . 1 1 118 118 LEU CD1 C 13 24.670 0.288 . 2 . . . . 118 LEU CD1 . 25411 1 1113 . 1 1 118 118 LEU CD2 C 13 23.148 0.236 . 2 . . . . 118 LEU CD2 . 25411 1 1114 . 1 1 118 118 LEU N N 15 122.140 0.046 . 1 . . . . 118 LEU N . 25411 1 1115 . 1 1 119 119 GLU H H 1 8.143 0.004 . 1 . . . . 119 GLU H . 25411 1 1116 . 1 1 119 119 GLU HA H 1 4.068 0.024 . 1 . . . . 119 GLU HA . 25411 1 1117 . 1 1 119 119 GLU HB2 H 1 1.807 0.025 . 2 . . . . 119 GLU HB2 . 25411 1 1118 . 1 1 119 119 GLU HB3 H 1 1.718 0.036 . 2 . . . . 119 GLU HB3 . 25411 1 1119 . 1 1 119 119 GLU HG2 H 1 2.061 0.012 . 2 . . . . 119 GLU HG2 . 25411 1 1120 . 1 1 119 119 GLU HG3 H 1 2.170 0.022 . 2 . . . . 119 GLU HG3 . 25411 1 1121 . 1 1 119 119 GLU CA C 13 56.565 0.286 . 1 . . . . 119 GLU CA . 25411 1 1122 . 1 1 119 119 GLU CB C 13 29.572 0.084 . 1 . . . . 119 GLU CB . 25411 1 1123 . 1 1 119 119 GLU CG C 13 35.847 0.268 . 1 . . . . 119 GLU CG . 25411 1 1124 . 1 1 119 119 GLU N N 15 119.672 0.044 . 1 . . . . 119 GLU N . 25411 1 1125 . 1 1 120 120 HIS H H 1 8.107 0.005 . 1 . . . . 120 HIS H . 25411 1 1126 . 1 1 120 120 HIS CA C 13 55.883 0.030 . 1 . . . . 120 HIS CA . 25411 1 1127 . 1 1 120 120 HIS CB C 13 29.270 0.030 . 1 . . . . 120 HIS CB . 25411 1 1128 . 1 1 120 120 HIS N N 15 118.301 0.079 . 1 . . . . 120 HIS N . 25411 1 1129 . 1 1 121 121 HIS HA H 1 4.008 0.019 . 1 . . . . 121 HIS HA . 25411 1 1130 . 1 1 121 121 HIS HB2 H 1 1.952 0.003 . 1 . . . . 121 HIS HB2 . 25411 1 1131 . 1 1 121 121 HIS HB3 H 1 1.952 0.003 . 1 . . . . 121 HIS HB3 . 25411 1 1132 . 1 1 121 121 HIS CA C 13 55.166 0.030 . 1 . . . . 121 HIS CA . 25411 1 1133 . 1 1 121 121 HIS CB C 13 28.759 0.030 . 1 . . . . 121 HIS CB . 25411 1 1134 . 1 1 122 122 HIS H H 1 8.489 0.006 . 1 . . . . 122 HIS H . 25411 1 1135 . 1 1 122 122 HIS HA H 1 4.218 0.023 . 1 . . . . 122 HIS HA . 25411 1 1136 . 1 1 122 122 HIS HB2 H 1 1.889 0.003 . 1 . . . . 122 HIS HB2 . 25411 1 1137 . 1 1 122 122 HIS HB3 H 1 1.889 0.003 . 1 . . . . 122 HIS HB3 . 25411 1 1138 . 1 1 122 122 HIS CA C 13 56.081 0.094 . 1 . . . . 122 HIS CA . 25411 1 1139 . 1 1 122 122 HIS CB C 13 29.371 0.185 . 1 . . . . 122 HIS CB . 25411 1 1140 . 1 1 122 122 HIS N N 15 122.407 0.046 . 1 . . . . 122 HIS N . 25411 1 1141 . 1 1 123 123 HIS H H 1 8.596 0.009 . 1 . . . . 123 HIS H . 25411 1 1142 . 1 1 123 123 HIS HA H 1 4.387 0.003 . 1 . . . . 123 HIS HA . 25411 1 1143 . 1 1 123 123 HIS HB2 H 1 3.065 0.013 . 1 . . . . 123 HIS HB2 . 25411 1 1144 . 1 1 123 123 HIS HB3 H 1 3.065 0.013 . 1 . . . . 123 HIS HB3 . 25411 1 1145 . 1 1 123 123 HIS CA C 13 56.310 0.031 . 1 . . . . 123 HIS CA . 25411 1 1146 . 1 1 123 123 HIS CB C 13 29.502 0.317 . 1 . . . . 123 HIS CB . 25411 1 1147 . 1 1 123 123 HIS N N 15 122.868 0.085 . 1 . . . . 123 HIS N . 25411 1 1148 . 1 1 124 124 HIS H H 1 8.255 0.023 . 1 . . . . 124 HIS H . 25411 1 1149 . 1 1 124 124 HIS HA H 1 4.557 0.023 . 1 . . . . 124 HIS HA . 25411 1 1150 . 1 1 124 124 HIS HB2 H 1 3.094 0.032 . 2 . . . . 124 HIS HB2 . 25411 1 1151 . 1 1 124 124 HIS HB3 H 1 2.985 0.028 . 2 . . . . 124 HIS HB3 . 25411 1 1152 . 1 1 124 124 HIS CA C 13 55.385 0.316 . 1 . . . . 124 HIS CA . 25411 1 1153 . 1 1 124 124 HIS CB C 13 29.358 0.314 . 1 . . . . 124 HIS CB . 25411 1 1154 . 1 1 124 124 HIS N N 15 123.734 0.049 . 1 . . . . 124 HIS N . 25411 1 1155 . 1 1 125 125 HIS H H 1 8.192 0.020 . 1 . . . . 125 HIS H . 25411 1 1156 . 1 1 125 125 HIS HA H 1 4.381 0.006 . 1 . . . . 125 HIS HA . 25411 1 1157 . 1 1 125 125 HIS HB2 H 1 3.177 0.008 . 2 . . . . 125 HIS HB2 . 25411 1 1158 . 1 1 125 125 HIS HB3 H 1 3.151 0.006 . 2 . . . . 125 HIS HB3 . 25411 1 1159 . 1 1 125 125 HIS CA C 13 56.884 0.332 . 1 . . . . 125 HIS CA . 25411 1 1160 . 1 1 125 125 HIS CB C 13 29.654 0.349 . 1 . . . . 125 HIS CB . 25411 1 1161 . 1 1 125 125 HIS N N 15 125.378 0.035 . 1 . . . . 125 HIS N . 25411 1 stop_ save_