data_26047 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26047 _Entry.Title ; Lysine dimethylated FKBP12 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-05-05 _Entry.Accession_date 2016-05-05 _Entry.Last_release_date 2016-05-13 _Entry.Original_release_date 2016-05-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Yoshikazu Hattori . . . . 26047 2 Jukab Sebera . . . . 26047 3 Vladimir Sychrovsky . . . . 26047 4 Kyoko Furuita . . . . 26047 5 Toshihiko Sugiki . . . . 26047 6 Izuru Ohki . . . . 26047 7 Takahisa Ikegami . . . . 26047 8 Naohiro Kobayashi . . . . 26047 9 Yoshiyuki Tanaka . . . . 26047 10 Toshimichi Fujiwara . . . . 26047 11 Chojiro Kojima . . . . 26047 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' . 26047 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID NMR . 26047 lysine . 26047 methylation . 26047 'salt bridge' . 26047 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26047 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 494 26047 '15N chemical shifts' 109 26047 '1H chemical shifts' 791 26047 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 . . 2017-05-15 . original BMRB . 26047 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2ND5 'BMRB Entry Tracking System' 26047 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 26047 _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 ; NMR Observation of Protein Surface Salt Bridges at Neutral pH ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yoshikazu Hattori . . . . 26047 1 2 Jukab Sebera . . . . 26047 1 3 Vladimir Sychrovsky . . . . 26047 1 4 Kyoko Furuita . . . . 26047 1 5 Toshihiko Sugiki . . . . 26047 1 6 Izuru Ohki . . . . 26047 1 7 Takahisa Ikegami . . . . 26047 1 8 Naohiro Kobayashi . . . . 26047 1 9 Yoshiyuki Tanaka . . . . 26047 1 10 Toshimichi Fujiwara . . . . 26047 1 11 Chojiro Kojima . . . . 26047 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26047 _Assembly.ID 1 _Assembly.Name 'Lysine dimethylated FKBP12' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $entity A . yes native no no . . . 26047 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 26047 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; GPSMGVQVETISPGDGRTFP XRGQTCVVHYTGMLEDGXXF DSSRDRNXPFXFMLGXQEVI RGWEEGVAQMSVGQRAXLTI SPDYAYGATGHPGIIPPHAT LVFDVELLXLE ; _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 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12425.415 _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 -3 GLY . 26047 1 2 -2 PRO . 26047 1 3 -1 SER . 26047 1 4 0 MET . 26047 1 5 1 GLY . 26047 1 6 2 VAL . 26047 1 7 3 GLN . 26047 1 8 4 VAL . 26047 1 9 5 GLU . 26047 1 10 6 THR . 26047 1 11 7 ILE . 26047 1 12 8 SER . 26047 1 13 9 PRO . 26047 1 14 10 GLY . 26047 1 15 11 ASP . 26047 1 16 12 GLY . 26047 1 17 13 ARG . 26047 1 18 14 THR . 26047 1 19 15 PHE . 26047 1 20 16 PRO . 26047 1 21 17 MLY . 26047 1 22 18 ARG . 26047 1 23 19 GLY . 26047 1 24 20 GLN . 26047 1 25 21 THR . 26047 1 26 22 CYS . 26047 1 27 23 VAL . 26047 1 28 24 VAL . 26047 1 29 25 HIS . 26047 1 30 26 TYR . 26047 1 31 27 THR . 26047 1 32 28 GLY . 26047 1 33 29 MET . 26047 1 34 30 LEU . 26047 1 35 31 GLU . 26047 1 36 32 ASP . 26047 1 37 33 GLY . 26047 1 38 34 MLY . 26047 1 39 35 MLY . 26047 1 40 36 PHE . 26047 1 41 37 ASP . 26047 1 42 38 SER . 26047 1 43 39 SER . 26047 1 44 40 ARG . 26047 1 45 41 ASP . 26047 1 46 42 ARG . 26047 1 47 43 ASN . 26047 1 48 44 MLY . 26047 1 49 45 PRO . 26047 1 50 46 PHE . 26047 1 51 47 MLY . 26047 1 52 48 PHE . 26047 1 53 49 MET . 26047 1 54 50 LEU . 26047 1 55 51 GLY . 26047 1 56 52 MLY . 26047 1 57 53 GLN . 26047 1 58 54 GLU . 26047 1 59 55 VAL . 26047 1 60 56 ILE . 26047 1 61 57 ARG . 26047 1 62 58 GLY . 26047 1 63 59 TRP . 26047 1 64 60 GLU . 26047 1 65 61 GLU . 26047 1 66 62 GLY . 26047 1 67 63 VAL . 26047 1 68 64 ALA . 26047 1 69 65 GLN . 26047 1 70 66 MET . 26047 1 71 67 SER . 26047 1 72 68 VAL . 26047 1 73 69 GLY . 26047 1 74 70 GLN . 26047 1 75 71 ARG . 26047 1 76 72 ALA . 26047 1 77 73 MLY . 26047 1 78 74 LEU . 26047 1 79 75 THR . 26047 1 80 76 ILE . 26047 1 81 77 SER . 26047 1 82 78 PRO . 26047 1 83 79 ASP . 26047 1 84 80 TYR . 26047 1 85 81 ALA . 26047 1 86 82 TYR . 26047 1 87 83 GLY . 26047 1 88 84 ALA . 26047 1 89 85 THR . 26047 1 90 86 GLY . 26047 1 91 87 HIS . 26047 1 92 88 PRO . 26047 1 93 89 GLY . 26047 1 94 90 ILE . 26047 1 95 91 ILE . 26047 1 96 92 PRO . 26047 1 97 93 PRO . 26047 1 98 94 HIS . 26047 1 99 95 ALA . 26047 1 100 96 THR . 26047 1 101 97 LEU . 26047 1 102 98 VAL . 26047 1 103 99 PHE . 26047 1 104 100 ASP . 26047 1 105 101 VAL . 26047 1 106 102 GLU . 26047 1 107 103 LEU . 26047 1 108 104 LEU . 26047 1 109 105 MLY . 26047 1 110 106 LEU . 26047 1 111 107 GLU . 26047 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 26047 1 . PRO 2 2 26047 1 . SER 3 3 26047 1 . MET 4 4 26047 1 . GLY 5 5 26047 1 . VAL 6 6 26047 1 . GLN 7 7 26047 1 . VAL 8 8 26047 1 . GLU 9 9 26047 1 . THR 10 10 26047 1 . ILE 11 11 26047 1 . SER 12 12 26047 1 . PRO 13 13 26047 1 . GLY 14 14 26047 1 . ASP 15 15 26047 1 . GLY 16 16 26047 1 . ARG 17 17 26047 1 . THR 18 18 26047 1 . PHE 19 19 26047 1 . PRO 20 20 26047 1 . MLY 21 21 26047 1 . ARG 22 22 26047 1 . GLY 23 23 26047 1 . GLN 24 24 26047 1 . THR 25 25 26047 1 . CYS 26 26 26047 1 . VAL 27 27 26047 1 . VAL 28 28 26047 1 . HIS 29 29 26047 1 . TYR 30 30 26047 1 . THR 31 31 26047 1 . GLY 32 32 26047 1 . MET 33 33 26047 1 . LEU 34 34 26047 1 . GLU 35 35 26047 1 . ASP 36 36 26047 1 . GLY 37 37 26047 1 . MLY 38 38 26047 1 . MLY 39 39 26047 1 . PHE 40 40 26047 1 . ASP 41 41 26047 1 . SER 42 42 26047 1 . SER 43 43 26047 1 . ARG 44 44 26047 1 . ASP 45 45 26047 1 . ARG 46 46 26047 1 . ASN 47 47 26047 1 . MLY 48 48 26047 1 . PRO 49 49 26047 1 . PHE 50 50 26047 1 . MLY 51 51 26047 1 . PHE 52 52 26047 1 . MET 53 53 26047 1 . LEU 54 54 26047 1 . GLY 55 55 26047 1 . MLY 56 56 26047 1 . GLN 57 57 26047 1 . GLU 58 58 26047 1 . VAL 59 59 26047 1 . ILE 60 60 26047 1 . ARG 61 61 26047 1 . GLY 62 62 26047 1 . TRP 63 63 26047 1 . GLU 64 64 26047 1 . GLU 65 65 26047 1 . GLY 66 66 26047 1 . VAL 67 67 26047 1 . ALA 68 68 26047 1 . GLN 69 69 26047 1 . MET 70 70 26047 1 . SER 71 71 26047 1 . VAL 72 72 26047 1 . GLY 73 73 26047 1 . GLN 74 74 26047 1 . ARG 75 75 26047 1 . ALA 76 76 26047 1 . MLY 77 77 26047 1 . LEU 78 78 26047 1 . THR 79 79 26047 1 . ILE 80 80 26047 1 . SER 81 81 26047 1 . PRO 82 82 26047 1 . ASP 83 83 26047 1 . TYR 84 84 26047 1 . ALA 85 85 26047 1 . TYR 86 86 26047 1 . GLY 87 87 26047 1 . ALA 88 88 26047 1 . THR 89 89 26047 1 . GLY 90 90 26047 1 . HIS 91 91 26047 1 . PRO 92 92 26047 1 . GLY 93 93 26047 1 . ILE 94 94 26047 1 . ILE 95 95 26047 1 . PRO 96 96 26047 1 . PRO 97 97 26047 1 . HIS 98 98 26047 1 . ALA 99 99 26047 1 . THR 100 100 26047 1 . LEU 101 101 26047 1 . VAL 102 102 26047 1 . PHE 103 103 26047 1 . ASP 104 104 26047 1 . VAL 105 105 26047 1 . GLU 106 106 26047 1 . LEU 107 107 26047 1 . LEU 108 108 26047 1 . MLY 109 109 26047 1 . LEU 110 110 26047 1 . GLU 111 111 26047 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 26047 _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 $entity . 9606 plasmid . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26047 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 26047 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pGEX . . . 26047 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_MLY _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MLY _Chem_comp.Entry_ID 26047 _Chem_comp.ID MLY _Chem_comp.Provenance PDB _Chem_comp.Name N-DIMETHYL-LYSINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code MLY _Chem_comp.PDB_code MLY _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces TRG _Chem_comp.One_letter_code K _Chem_comp.Three_letter_code MLY _Chem_comp.Number_atoms_all 30 _Chem_comp.Number_atoms_nh 12 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C8H18N2O2/c1-10(2)6-4-3-5-7(9)8(11)12/h7H,3-6,9H2,1-2H3,(H,11,12)/t7-/m0/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID LYS _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 'C8 H18 N2 O2' _Chem_comp.Formula_weight 174.241 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2MYS _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 CN(C)CCCCC(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 26047 MLY CN(C)CCCC[C@@H](C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 26047 MLY CN(C)CCCC[C@H](N)C(O)=O SMILES_CANONICAL CACTVS 3.341 26047 MLY CN(C)CCCC[CH](N)C(O)=O SMILES CACTVS 3.341 26047 MLY InChI=1S/C8H18N2O2/c1-10(2)6-4-3-5-7(9)8(11)12/h7H,3-6,9H2,1-2H3,(H,11,12)/t7-/m0/s1 InChI InChI 1.03 26047 MLY O=C(O)C(N)CCCCN(C)C SMILES ACDLabs 10.04 26047 MLY XXEWFEBMSGLYBY-ZETCQYMHSA-N InChIKey InChI 1.03 26047 MLY 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 '(2S)-2-amino-6-dimethylamino-hexanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 26047 MLY N~6~,N~6~-dimethyl-L-lysine 'SYSTEMATIC NAME' ACDLabs 10.04 26047 MLY 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 N N N N . N . . N 0 . . . 1 no no . . . . 30.897 . 32.013 . 86.595 . -1.796 -0.012 -2.201 1 . 26047 MLY CA CA CA CA . C . . S 0 . . . 1 no no . . . . 30.008 . 31.772 . 85.465 . -0.408 0.467 -2.256 2 . 26047 MLY CB CB CB CB . C . . N 0 . . . 1 no no . . . . 28.866 . 32.726 . 85.430 . 0.352 -0.033 -1.026 3 . 26047 MLY CG CG CG CG . C . . N 0 . . . 1 no no . . . . 27.670 . 32.308 . 86.280 . -0.321 0.496 0.240 4 . 26047 MLY CD CD CD CD . C . . N 0 . . . 1 no no . . . . 27.216 . 30.876 . 86.047 . 0.439 -0.003 1.470 5 . 26047 MLY CE CE CE CE . C . . N 0 . . . 1 no no . . . . 25.708 . 30.712 . 86.248 . -0.233 0.526 2.737 6 . 26047 MLY NZ NZ NZ NZ . N . . N 0 . . . 1 no no . . . . 25.277 . 29.321 . 86.461 . 0.496 0.045 3.917 7 . 26047 MLY CH1 CH1 CH1 CH1 . C . . N 0 . . . 1 no no . . . . 23.809 . 29.228 . 86.351 . -0.197 0.587 5.093 8 . 26047 MLY CH2 CH2 CH2 CH2 . C . . N 0 . . . 1 no no . . . . 25.992 . 28.420 . 85.520 . 0.321 -1.412 3.958 9 . 26047 MLY C C C C . C . . N 0 . . . 1 no no . . . . 30.734 . 31.700 . 84.129 . 0.254 -0.054 -3.504 10 . 26047 MLY O O O O . O . . N 0 . . . 1 no no . . . . 31.846 . 32.183 . 83.971 . -0.089 -1.113 -3.973 11 . 26047 MLY OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 30.115 . 31.026 . 83.149 . 1.227 0.656 -4.095 12 . 26047 MLY H H H 1HN . H . . N 0 . . . 1 no no . . . . 31.679 . 31.359 . 86.619 . -2.166 0.271 -1.307 13 . 26047 MLY H2 H2 H2 2HN . H . . N 0 . . . 1 no yes . . . . 30.383 . 32.004 . 87.476 . -1.754 -1.020 -2.191 14 . 26047 MLY HA HA HA HA . H . . N 0 . . . 1 no no . . . . 29.580 . 30.756 . 85.633 . -0.401 1.557 -2.269 15 . 26047 MLY HB2 HB2 HB2 1HB . H . . N 0 . . . 1 no no . . . . 29.205 . 33.749 . 85.713 . 1.381 0.322 -1.067 16 . 26047 MLY HB3 HB3 HB3 2HB . H . . N 0 . . . 1 no no . . . . 28.548 . 32.914 . 84.377 . 0.344 -1.123 -1.013 17 . 26047 MLY HG2 HG2 HG2 1HG . H . . N 0 . . . 1 no no . . . . 27.878 . 32.481 . 87.361 . -1.350 0.141 0.281 18 . 26047 MLY HG3 HG3 HG3 2HG . H . . N 0 . . . 1 no no . . . . 26.820 . 33.016 . 86.136 . -0.313 1.586 0.227 19 . 26047 MLY HD2 HD2 HD2 1HD . H . . N 0 . . . 1 no no . . . . 27.532 . 30.509 . 85.042 . 1.469 0.352 1.429 20 . 26047 MLY HD3 HD3 HD3 2HD . H . . N 0 . . . 1 no no . . . . 27.788 . 30.161 . 86.683 . 0.432 -1.093 1.483 21 . 26047 MLY HE2 HE2 HE2 1HE . H . . N 0 . . . 1 no no . . . . 25.351 . 31.363 . 87.080 . -1.263 0.170 2.777 22 . 26047 MLY HE3 HE3 HE3 2HE . H . . N 0 . . . 1 no no . . . . 25.148 . 31.168 . 85.398 . -0.226 1.616 2.724 23 . 26047 MLY HH11 HH11 HH11 1HC1 . H . . N 0 . . . 0 no no . . . . 23.482 . 28.174 . 86.512 . 0.310 0.256 5.999 24 . 26047 MLY HH12 HH12 HH12 2HC1 . H . . N 0 . . . 0 no no . . . . 23.291 . 29.936 . 87.039 . -0.190 1.676 5.050 25 . 26047 MLY HH13 HH13 HH13 3HC1 . H . . N 0 . . . 0 no no . . . . 23.434 . 29.638 . 85.384 . -1.227 0.230 5.103 26 . 26047 MLY HH21 HH21 HH21 1HC2 . H . . N 0 . . . 0 no no . . . . 25.665 . 27.366 . 85.681 . 0.822 -1.862 3.101 27 . 26047 MLY HH22 HH22 HH22 2HC2 . H . . N 0 . . . 0 no no . . . . 25.867 . 28.739 . 84.458 . 0.753 -1.804 4.878 28 . 26047 MLY HH23 HH23 HH23 3HC2 . H . . N 0 . . . 0 no no . . . . 27.099 . 28.531 . 85.593 . -0.741 -1.651 3.925 29 . 26047 MLY HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 30.568 . 30.981 . 82.315 . 1.653 0.321 -4.896 30 . 26047 MLY stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . 26047 MLY 2 . SING N H no N 2 . 26047 MLY 3 . SING N H2 no N 3 . 26047 MLY 4 . SING CA CB no N 4 . 26047 MLY 5 . SING CA C no N 5 . 26047 MLY 6 . SING CA HA no N 6 . 26047 MLY 7 . SING CB CG no N 7 . 26047 MLY 8 . SING CB HB2 no N 8 . 26047 MLY 9 . SING CB HB3 no N 9 . 26047 MLY 10 . SING CG CD no N 10 . 26047 MLY 11 . SING CG HG2 no N 11 . 26047 MLY 12 . SING CG HG3 no N 12 . 26047 MLY 13 . SING CD CE no N 13 . 26047 MLY 14 . SING CD HD2 no N 14 . 26047 MLY 15 . SING CD HD3 no N 15 . 26047 MLY 16 . SING CE NZ no N 16 . 26047 MLY 17 . SING CE HE2 no N 17 . 26047 MLY 18 . SING CE HE3 no N 18 . 26047 MLY 19 . SING NZ CH1 no N 19 . 26047 MLY 20 . SING NZ CH2 no N 20 . 26047 MLY 21 . SING CH1 HH11 no N 21 . 26047 MLY 22 . SING CH1 HH12 no N 22 . 26047 MLY 23 . SING CH1 HH13 no N 23 . 26047 MLY 24 . SING CH2 HH21 no N 24 . 26047 MLY 25 . SING CH2 HH22 no N 25 . 26047 MLY 26 . SING CH2 HH23 no N 26 . 26047 MLY 27 . DOUB C O no N 27 . 26047 MLY 28 . SING C OXT no N 28 . 26047 MLY 29 . SING OXT HXT no N 29 . 26047 MLY stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26047 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 1.2 . . mM . . . . 26047 1 2 'sodium chloride' 'natural abundance' . . . . . . 30 . . mM . . . . 26047 1 3 DTT 'natural abundance' . . . . . . 3 . . mM . . . . 26047 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 26047 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 26047 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 26047 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 . pH 26047 1 temperature 303 . K 26047 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26047 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26047 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26047 1 stop_ save_ save_MagRO-NMRView _Software.Sf_category software _Software.Sf_framecode MagRO-NMRView _Software.Entry_ID 26047 _Software.ID 2 _Software.Name MagRO-NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, Naohiro' . . 26047 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26047 2 'data analysis' 26047 2 'peak picking' 26047 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 26047 _Software.ID 3 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 26047 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26047 3 'structure solution' 26047 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 26047 _Software.ID 4 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 26047 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 26047 4 'structure solution' 26047 4 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 26047 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'with a TXI cryogenic probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26047 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Avance III' . 800 'with a TXI cryogenic probe' . . 26047 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 26047 _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 . . . . . . . . . . . . . . . . 26047 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26047 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26047 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26047 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26047 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26047 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26047 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26047 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26047 1 10 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26047 1 11 '3D HC(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26047 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26047 1 13 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26047 1 14 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26047 1 15 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26047 1 16 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26047 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 26047 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26047 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26047 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26047 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 26047 _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' . . . 26047 1 2 '2D 1H-13C HSQC aliphatic' . . . 26047 1 3 '2D 1H-13C HSQC aromatic' . . . 26047 1 4 '2D 1H-1H NOESY' . . . 26047 1 5 '3D CBCA(CO)NH' . . . 26047 1 6 '3D HNCACB' . . . 26047 1 7 '3D HN(CA)CO' . . . 26047 1 8 '3D HNCO' . . . 26047 1 9 '3D HBHA(CO)NH' . . . 26047 1 10 '3D C(CO)NH' . . . 26047 1 11 '3D HC(CO)NH' . . . 26047 1 12 '3D HCCH-TOCSY' . . . 26047 1 13 '3D 1H-15N TOCSY' . . . 26047 1 14 '3D 1H-15N NOESY' . . . 26047 1 15 '3D 1H-13C NOESY aliphatic' . . . 26047 1 16 '3D 1H-13C NOESY aromatic' . . . 26047 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 2 $MagRO-NMRView . . 26047 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 PRO HA H 1 4.485 0.03 . 1 . . . A -2 PRO HA . 26047 1 2 . 1 1 2 2 PRO HB2 H 1 1.935 0.03 . 2 . . . A -2 PRO HB2 . 26047 1 3 . 1 1 2 2 PRO HB3 H 1 2.28 0.03 . 2 . . . A -2 PRO HB3 . 26047 1 4 . 1 1 2 2 PRO HG2 H 1 1.976 0.03 . 1 . . . A -2 PRO HG2 . 26047 1 5 . 1 1 2 2 PRO HG3 H 1 1.976 0.03 . 1 . . . A -2 PRO HG3 . 26047 1 6 . 1 1 2 2 PRO HD2 H 1 3.543 0.03 . 2 . . . A -2 PRO HD2 . 26047 1 7 . 1 1 2 2 PRO HD3 H 1 3.516 0.03 . 2 . . . A -2 PRO HD3 . 26047 1 8 . 1 1 2 2 PRO C C 13 176.57 0.3 . 1 . . . A -2 PRO C . 26047 1 9 . 1 1 2 2 PRO CA C 13 63.243 0.3 . 1 . . . A -2 PRO CA . 26047 1 10 . 1 1 2 2 PRO CB C 13 32.29 0.3 . 1 . . . A -2 PRO CB . 26047 1 11 . 1 1 2 2 PRO CG C 13 27.031 0.3 . 1 . . . A -2 PRO CG . 26047 1 12 . 1 1 2 2 PRO CD C 13 49.763 0.3 . 1 . . . A -2 PRO CD . 26047 1 13 . 1 1 3 3 SER H H 1 8.542 0.03 . 1 . . . A -1 SER H . 26047 1 14 . 1 1 3 3 SER HA H 1 4.422 0.03 . 1 . . . A -1 SER HA . 26047 1 15 . 1 1 3 3 SER HB2 H 1 3.818 0.03 . 2 . . . A -1 SER HB2 . 26047 1 16 . 1 1 3 3 SER HB3 H 1 3.839 0.03 . 2 . . . A -1 SER HB3 . 26047 1 17 . 1 1 3 3 SER C C 13 174.384 0.3 . 1 . . . A -1 SER C . 26047 1 18 . 1 1 3 3 SER CA C 13 58.23 0.3 . 1 . . . A -1 SER CA . 26047 1 19 . 1 1 3 3 SER CB C 13 63.838 0.3 . 1 . . . A -1 SER CB . 26047 1 20 . 1 1 3 3 SER N N 15 116.659 0.3 . 1 . . . A -1 SER N . 26047 1 21 . 1 1 4 4 MET H H 1 8.356 0.03 . 1 . . . A 0 MET H . 26047 1 22 . 1 1 4 4 MET HA H 1 4.441 0.03 . 1 . . . A 0 MET HA . 26047 1 23 . 1 1 4 4 MET HB2 H 1 2.011 0.03 . 2 . . . A 0 MET HB2 . 26047 1 24 . 1 1 4 4 MET HB3 H 1 1.925 0.03 . 2 . . . A 0 MET HB3 . 26047 1 25 . 1 1 4 4 MET HG2 H 1 2.54 0.03 . 2 . . . A 0 MET HG2 . 26047 1 26 . 1 1 4 4 MET HG3 H 1 2.475 0.03 . 2 . . . A 0 MET HG3 . 26047 1 27 . 1 1 4 4 MET HE1 H 1 1.998 0.03 . 1 . . . A 0 MET HE1 . 26047 1 28 . 1 1 4 4 MET HE2 H 1 1.998 0.03 . 1 . . . A 0 MET HE2 . 26047 1 29 . 1 1 4 4 MET HE3 H 1 1.998 0.03 . 1 . . . A 0 MET HE3 . 26047 1 30 . 1 1 4 4 MET C C 13 176.182 0.3 . 1 . . . A 0 MET C . 26047 1 31 . 1 1 4 4 MET CA C 13 55.346 0.3 . 1 . . . A 0 MET CA . 26047 1 32 . 1 1 4 4 MET CB C 13 33.248 0.3 . 1 . . . A 0 MET CB . 26047 1 33 . 1 1 4 4 MET CG C 13 31.913 0.3 . 1 . . . A 0 MET CG . 26047 1 34 . 1 1 4 4 MET CE C 13 17.013 0.3 . 1 . . . A 0 MET CE . 26047 1 35 . 1 1 4 4 MET N N 15 122.115 0.3 . 1 . . . A 0 MET N . 26047 1 36 . 1 1 5 5 GLY H H 1 8.157 0.03 . 1 . . . A 1 GLY H . 26047 1 37 . 1 1 5 5 GLY HA2 H 1 3.132 0.03 . 2 . . . A 1 GLY HA2 . 26047 1 38 . 1 1 5 5 GLY HA3 H 1 2.818 0.03 . 2 . . . A 1 GLY HA3 . 26047 1 39 . 1 1 5 5 GLY C C 13 172.468 0.3 . 1 . . . A 1 GLY C . 26047 1 40 . 1 1 5 5 GLY CA C 13 45.585 0.3 . 1 . . . A 1 GLY CA . 26047 1 41 . 1 1 5 5 GLY N N 15 110.724 0.3 . 1 . . . A 1 GLY N . 26047 1 42 . 1 1 6 6 VAL H H 1 7.471 0.03 . 1 . . . A 2 VAL H . 26047 1 43 . 1 1 6 6 VAL HA H 1 4.889 0.03 . 1 . . . A 2 VAL HA . 26047 1 44 . 1 1 6 6 VAL HB H 1 1.845 0.03 . 1 . . . A 2 VAL HB . 26047 1 45 . 1 1 6 6 VAL HG11 H 1 0.804 0.03 . 2 . . . A 2 VAL HG11 . 26047 1 46 . 1 1 6 6 VAL HG12 H 1 0.804 0.03 . 2 . . . A 2 VAL HG12 . 26047 1 47 . 1 1 6 6 VAL HG13 H 1 0.804 0.03 . 2 . . . A 2 VAL HG13 . 26047 1 48 . 1 1 6 6 VAL HG21 H 1 0.741 0.03 . 2 . . . A 2 VAL HG21 . 26047 1 49 . 1 1 6 6 VAL HG22 H 1 0.741 0.03 . 2 . . . A 2 VAL HG22 . 26047 1 50 . 1 1 6 6 VAL HG23 H 1 0.741 0.03 . 2 . . . A 2 VAL HG23 . 26047 1 51 . 1 1 6 6 VAL C C 13 173.396 0.3 . 1 . . . A 2 VAL C . 26047 1 52 . 1 1 6 6 VAL CA C 13 59.731 0.3 . 1 . . . A 2 VAL CA . 26047 1 53 . 1 1 6 6 VAL CB C 13 34.6 0.3 . 1 . . . A 2 VAL CB . 26047 1 54 . 1 1 6 6 VAL CG1 C 13 19.137 0.3 . 2 . . . A 2 VAL CG1 . 26047 1 55 . 1 1 6 6 VAL CG2 C 13 22.411 0.3 . 2 . . . A 2 VAL CG2 . 26047 1 56 . 1 1 6 6 VAL N N 15 117.765 0.3 . 1 . . . A 2 VAL N . 26047 1 57 . 1 1 7 7 GLN H H 1 8.514 0.03 . 1 . . . A 3 GLN H . 26047 1 58 . 1 1 7 7 GLN HA H 1 4.686 0.03 . 1 . . . A 3 GLN HA . 26047 1 59 . 1 1 7 7 GLN HB2 H 1 2.111 0.03 . 2 . . . A 3 GLN HB2 . 26047 1 60 . 1 1 7 7 GLN HB3 H 1 1.935 0.03 . 2 . . . A 3 GLN HB3 . 26047 1 61 . 1 1 7 7 GLN HG2 H 1 2.279 0.03 . 2 . . . A 3 GLN HG2 . 26047 1 62 . 1 1 7 7 GLN HG3 H 1 2.32 0.03 . 2 . . . A 3 GLN HG3 . 26047 1 63 . 1 1 7 7 GLN HE21 H 1 7.428 0.03 . 2 . . . A 3 GLN HE21 . 26047 1 64 . 1 1 7 7 GLN HE22 H 1 6.793 0.03 . 2 . . . A 3 GLN HE22 . 26047 1 65 . 1 1 7 7 GLN C C 13 174.658 0.3 . 1 . . . A 3 GLN C . 26047 1 66 . 1 1 7 7 GLN CA C 13 54.379 0.3 . 1 . . . A 3 GLN CA . 26047 1 67 . 1 1 7 7 GLN CB C 13 31.669 0.3 . 1 . . . A 3 GLN CB . 26047 1 68 . 1 1 7 7 GLN CG C 13 34.032 0.3 . 1 . . . A 3 GLN CG . 26047 1 69 . 1 1 7 7 GLN N N 15 126.962 0.3 . 1 . . . A 3 GLN N . 26047 1 70 . 1 1 7 7 GLN NE2 N 15 111.658 0.3 . 1 . . . A 3 GLN NE2 . 26047 1 71 . 1 1 8 8 VAL H H 1 8.823 0.03 . 1 . . . A 4 VAL H . 26047 1 72 . 1 1 8 8 VAL HA H 1 4.52 0.03 . 1 . . . A 4 VAL HA . 26047 1 73 . 1 1 8 8 VAL HB H 1 2.01 0.03 . 1 . . . A 4 VAL HB . 26047 1 74 . 1 1 8 8 VAL HG11 H 1 0.781 0.03 . 2 . . . A 4 VAL HG11 . 26047 1 75 . 1 1 8 8 VAL HG12 H 1 0.781 0.03 . 2 . . . A 4 VAL HG12 . 26047 1 76 . 1 1 8 8 VAL HG13 H 1 0.781 0.03 . 2 . . . A 4 VAL HG13 . 26047 1 77 . 1 1 8 8 VAL HG21 H 1 0.647 0.03 . 2 . . . A 4 VAL HG21 . 26047 1 78 . 1 1 8 8 VAL HG22 H 1 0.647 0.03 . 2 . . . A 4 VAL HG22 . 26047 1 79 . 1 1 8 8 VAL HG23 H 1 0.647 0.03 . 2 . . . A 4 VAL HG23 . 26047 1 80 . 1 1 8 8 VAL C C 13 175.411 0.3 . 1 . . . A 4 VAL C . 26047 1 81 . 1 1 8 8 VAL CA C 13 61.993 0.3 . 1 . . . A 4 VAL CA . 26047 1 82 . 1 1 8 8 VAL CB C 13 33.355 0.3 . 1 . . . A 4 VAL CB . 26047 1 83 . 1 1 8 8 VAL CG1 C 13 21.127 0.3 . 2 . . . A 4 VAL CG1 . 26047 1 84 . 1 1 8 8 VAL CG2 C 13 20.638 0.3 . 2 . . . A 4 VAL CG2 . 26047 1 85 . 1 1 8 8 VAL N N 15 125.396 0.3 . 1 . . . A 4 VAL N . 26047 1 86 . 1 1 9 9 GLU H H 1 9.024 0.03 . 1 . . . A 5 GLU H . 26047 1 87 . 1 1 9 9 GLU HA H 1 4.782 0.03 . 1 . . . A 5 GLU HA . 26047 1 88 . 1 1 9 9 GLU HB2 H 1 1.953 0.03 . 2 . . . A 5 GLU HB2 . 26047 1 89 . 1 1 9 9 GLU HB3 H 1 2.098 0.03 . 2 . . . A 5 GLU HB3 . 26047 1 90 . 1 1 9 9 GLU HG2 H 1 2.168 0.03 . 2 . . . A 5 GLU HG2 . 26047 1 91 . 1 1 9 9 GLU HG3 H 1 2.102 0.03 . 2 . . . A 5 GLU HG3 . 26047 1 92 . 1 1 9 9 GLU C C 13 175.83 0.3 . 1 . . . A 5 GLU C . 26047 1 93 . 1 1 9 9 GLU CA C 13 54.451 0.3 . 1 . . . A 5 GLU CA . 26047 1 94 . 1 1 9 9 GLU CB C 13 32.818 0.3 . 1 . . . A 5 GLU CB . 26047 1 95 . 1 1 9 9 GLU CG C 13 36.636 0.3 . 1 . . . A 5 GLU CG . 26047 1 96 . 1 1 9 9 GLU N N 15 128.706 0.3 . 1 . . . A 5 GLU N . 26047 1 97 . 1 1 10 10 THR H H 1 9.173 0.03 . 1 . . . A 6 THR H . 26047 1 98 . 1 1 10 10 THR HA H 1 3.898 0.03 . 1 . . . A 6 THR HA . 26047 1 99 . 1 1 10 10 THR HB H 1 4.079 0.03 . 1 . . . A 6 THR HB . 26047 1 100 . 1 1 10 10 THR HG21 H 1 1.116 0.03 . 1 . . . A 6 THR HG21 . 26047 1 101 . 1 1 10 10 THR HG22 H 1 1.116 0.03 . 1 . . . A 6 THR HG22 . 26047 1 102 . 1 1 10 10 THR HG23 H 1 1.116 0.03 . 1 . . . A 6 THR HG23 . 26047 1 103 . 1 1 10 10 THR C C 13 173.675 0.3 . 1 . . . A 6 THR C . 26047 1 104 . 1 1 10 10 THR CA C 13 66.715 0.3 . 1 . . . A 6 THR CA . 26047 1 105 . 1 1 10 10 THR CB C 13 68.934 0.3 . 1 . . . A 6 THR CB . 26047 1 106 . 1 1 10 10 THR CG2 C 13 22.44 0.3 . 1 . . . A 6 THR CG2 . 26047 1 107 . 1 1 10 10 THR N N 15 124.408 0.3 . 1 . . . A 6 THR N . 26047 1 108 . 1 1 11 11 ILE H H 1 9.329 0.03 . 1 . . . A 7 ILE H . 26047 1 109 . 1 1 11 11 ILE HA H 1 4.071 0.03 . 1 . . . A 7 ILE HA . 26047 1 110 . 1 1 11 11 ILE HB H 1 1.29 0.03 . 1 . . . A 7 ILE HB . 26047 1 111 . 1 1 11 11 ILE HG12 H 1 1.05 0.03 . 2 . . . A 7 ILE HG12 . 26047 1 112 . 1 1 11 11 ILE HG13 H 1 1.558 0.03 . 2 . . . A 7 ILE HG13 . 26047 1 113 . 1 1 11 11 ILE HG21 H 1 0.856 0.03 . 1 . . . A 7 ILE HG21 . 26047 1 114 . 1 1 11 11 ILE HG22 H 1 0.856 0.03 . 1 . . . A 7 ILE HG22 . 26047 1 115 . 1 1 11 11 ILE HG23 H 1 0.856 0.03 . 1 . . . A 7 ILE HG23 . 26047 1 116 . 1 1 11 11 ILE HD11 H 1 0.716 0.03 . 1 . . . A 7 ILE HD11 . 26047 1 117 . 1 1 11 11 ILE HD12 H 1 0.716 0.03 . 1 . . . A 7 ILE HD12 . 26047 1 118 . 1 1 11 11 ILE HD13 H 1 0.716 0.03 . 1 . . . A 7 ILE HD13 . 26047 1 119 . 1 1 11 11 ILE C C 13 175.768 0.3 . 1 . . . A 7 ILE C . 26047 1 120 . 1 1 11 11 ILE CA C 13 63.285 0.3 . 1 . . . A 7 ILE CA . 26047 1 121 . 1 1 11 11 ILE CB C 13 39.659 0.3 . 1 . . . A 7 ILE CB . 26047 1 122 . 1 1 11 11 ILE CG1 C 13 27.912 0.3 . 1 . . . A 7 ILE CG1 . 26047 1 123 . 1 1 11 11 ILE CG2 C 13 16.616 0.3 . 1 . . . A 7 ILE CG2 . 26047 1 124 . 1 1 11 11 ILE CD1 C 13 13.451 0.3 . 1 . . . A 7 ILE CD1 . 26047 1 125 . 1 1 11 11 ILE N N 15 129.476 0.3 . 1 . . . A 7 ILE N . 26047 1 126 . 1 1 12 12 SER H H 1 8.3 0.03 . 1 . . . A 8 SER H . 26047 1 127 . 1 1 12 12 SER HA H 1 4.987 0.03 . 1 . . . A 8 SER HA . 26047 1 128 . 1 1 12 12 SER HB2 H 1 3.79 0.03 . 2 . . . A 8 SER HB2 . 26047 1 129 . 1 1 12 12 SER HB3 H 1 3.868 0.03 . 2 . . . A 8 SER HB3 . 26047 1 130 . 1 1 12 12 SER C C 13 171.895 0.3 . 1 . . . A 8 SER C . 26047 1 131 . 1 1 12 12 SER CA C 13 55.577 0.3 . 1 . . . A 8 SER CA . 26047 1 132 . 1 1 12 12 SER CB C 13 64.384 0.3 . 1 . . . A 8 SER CB . 26047 1 133 . 1 1 12 12 SER N N 15 114.774 0.3 . 1 . . . A 8 SER N . 26047 1 134 . 1 1 13 13 PRO HA H 1 4.331 0.03 . 1 . . . A 9 PRO HA . 26047 1 135 . 1 1 13 13 PRO HB2 H 1 2.112 0.03 . 2 . . . A 9 PRO HB2 . 26047 1 136 . 1 1 13 13 PRO HB3 H 1 2.293 0.03 . 2 . . . A 9 PRO HB3 . 26047 1 137 . 1 1 13 13 PRO HG2 H 1 2.054 0.03 . 2 . . . A 9 PRO HG2 . 26047 1 138 . 1 1 13 13 PRO HG3 H 1 2.019 0.03 . 2 . . . A 9 PRO HG3 . 26047 1 139 . 1 1 13 13 PRO HD2 H 1 3.802 0.03 . 2 . . . A 9 PRO HD2 . 26047 1 140 . 1 1 13 13 PRO HD3 H 1 3.725 0.03 . 2 . . . A 9 PRO HD3 . 26047 1 141 . 1 1 13 13 PRO C C 13 177.628 0.3 . 1 . . . A 9 PRO C . 26047 1 142 . 1 1 13 13 PRO CA C 13 63.646 0.3 . 1 . . . A 9 PRO CA . 26047 1 143 . 1 1 13 13 PRO CB C 13 32.91 0.3 . 1 . . . A 9 PRO CB . 26047 1 144 . 1 1 13 13 PRO CG C 13 27.119 0.3 . 1 . . . A 9 PRO CG . 26047 1 145 . 1 1 13 13 PRO CD C 13 51.127 0.3 . 1 . . . A 9 PRO CD . 26047 1 146 . 1 1 14 14 GLY H H 1 8.464 0.03 . 1 . . . A 10 GLY H . 26047 1 147 . 1 1 14 14 GLY HA2 H 1 3.516 0.03 . 2 . . . A 10 GLY HA2 . 26047 1 148 . 1 1 14 14 GLY HA3 H 1 4.147 0.03 . 2 . . . A 10 GLY HA3 . 26047 1 149 . 1 1 14 14 GLY C C 13 174.203 0.3 . 1 . . . A 10 GLY C . 26047 1 150 . 1 1 14 14 GLY CA C 13 44.176 0.3 . 1 . . . A 10 GLY CA . 26047 1 151 . 1 1 14 14 GLY N N 15 107.91 0.3 . 1 . . . A 10 GLY N . 26047 1 152 . 1 1 15 15 ASP H H 1 8.049 0.03 . 1 . . . A 11 ASP H . 26047 1 153 . 1 1 15 15 ASP HA H 1 4.289 0.03 . 1 . . . A 11 ASP HA . 26047 1 154 . 1 1 15 15 ASP HB2 H 1 2.979 0.03 . 2 . . . A 11 ASP HB2 . 26047 1 155 . 1 1 15 15 ASP HB3 H 1 2.726 0.03 . 2 . . . A 11 ASP HB3 . 26047 1 156 . 1 1 15 15 ASP C C 13 178.317 0.3 . 1 . . . A 11 ASP C . 26047 1 157 . 1 1 15 15 ASP CA C 13 54.629 0.3 . 1 . . . A 11 ASP CA . 26047 1 158 . 1 1 15 15 ASP CB C 13 39.382 0.3 . 1 . . . A 11 ASP CB . 26047 1 159 . 1 1 15 15 ASP N N 15 118.911 0.3 . 1 . . . A 11 ASP N . 26047 1 160 . 1 1 16 16 GLY H H 1 8.719 0.03 . 1 . . . A 12 GLY H . 26047 1 161 . 1 1 16 16 GLY HA2 H 1 3.465 0.03 . 2 . . . A 12 GLY HA2 . 26047 1 162 . 1 1 16 16 GLY HA3 H 1 4.003 0.03 . 2 . . . A 12 GLY HA3 . 26047 1 163 . 1 1 16 16 GLY C C 13 173.279 0.3 . 1 . . . A 12 GLY C . 26047 1 164 . 1 1 16 16 GLY CA C 13 46.049 0.3 . 1 . . . A 12 GLY CA . 26047 1 165 . 1 1 16 16 GLY N N 15 108.262 0.3 . 1 . . . A 12 GLY N . 26047 1 166 . 1 1 17 17 ARG H H 1 8.539 0.03 . 1 . . . A 13 ARG H . 26047 1 167 . 1 1 17 17 ARG HA H 1 4.709 0.03 . 1 . . . A 13 ARG HA . 26047 1 168 . 1 1 17 17 ARG HB2 H 1 1.729 0.03 . 2 . . . A 13 ARG HB2 . 26047 1 169 . 1 1 17 17 ARG HB3 H 1 1.538 0.03 . 2 . . . A 13 ARG HB3 . 26047 1 170 . 1 1 17 17 ARG HG2 H 1 1.421 0.03 . 2 . . . A 13 ARG HG2 . 26047 1 171 . 1 1 17 17 ARG HG3 H 1 1.535 0.03 . 2 . . . A 13 ARG HG3 . 26047 1 172 . 1 1 17 17 ARG HD2 H 1 3.152 0.03 . 1 . . . A 13 ARG HD2 . 26047 1 173 . 1 1 17 17 ARG HD3 H 1 3.152 0.03 . 1 . . . A 13 ARG HD3 . 26047 1 174 . 1 1 17 17 ARG C C 13 175.038 0.3 . 1 . . . A 13 ARG C . 26047 1 175 . 1 1 17 17 ARG CA C 13 56.794 0.3 . 1 . . . A 13 ARG CA . 26047 1 176 . 1 1 17 17 ARG CB C 13 34.416 0.3 . 1 . . . A 13 ARG CB . 26047 1 177 . 1 1 17 17 ARG CG C 13 26.763 0.3 . 1 . . . A 13 ARG CG . 26047 1 178 . 1 1 17 17 ARG CD C 13 43.359 0.3 . 1 . . . A 13 ARG CD . 26047 1 179 . 1 1 17 17 ARG N N 15 117.671 0.3 . 1 . . . A 13 ARG N . 26047 1 180 . 1 1 18 18 THR H H 1 10.197 0.03 . 1 . . . A 14 THR H . 26047 1 181 . 1 1 18 18 THR HA H 1 4.205 0.03 . 1 . . . A 14 THR HA . 26047 1 182 . 1 1 18 18 THR HB H 1 4.211 0.03 . 1 . . . A 14 THR HB . 26047 1 183 . 1 1 18 18 THR HG21 H 1 1.094 0.03 . 1 . . . A 14 THR HG21 . 26047 1 184 . 1 1 18 18 THR HG22 H 1 1.094 0.03 . 1 . . . A 14 THR HG22 . 26047 1 185 . 1 1 18 18 THR HG23 H 1 1.094 0.03 . 1 . . . A 14 THR HG23 . 26047 1 186 . 1 1 18 18 THR C C 13 172.353 0.3 . 1 . . . A 14 THR C . 26047 1 187 . 1 1 18 18 THR CA C 13 62.06 0.3 . 1 . . . A 14 THR CA . 26047 1 188 . 1 1 18 18 THR CB C 13 66.395 0.3 . 1 . . . A 14 THR CB . 26047 1 189 . 1 1 18 18 THR CG2 C 13 22.378 0.3 . 1 . . . A 14 THR CG2 . 26047 1 190 . 1 1 18 18 THR N N 15 125.323 0.3 . 1 . . . A 14 THR N . 26047 1 191 . 1 1 19 19 PHE H H 1 8.086 0.03 . 1 . . . A 15 PHE H . 26047 1 192 . 1 1 19 19 PHE HA H 1 5.232 0.03 . 1 . . . A 15 PHE HA . 26047 1 193 . 1 1 19 19 PHE HB2 H 1 3.08 0.03 . 2 . . . A 15 PHE HB2 . 26047 1 194 . 1 1 19 19 PHE HB3 H 1 2.606 0.03 . 2 . . . A 15 PHE HB3 . 26047 1 195 . 1 1 19 19 PHE HD1 H 1 7.041 0.03 . 1 . . . A 15 PHE HD1 . 26047 1 196 . 1 1 19 19 PHE HD2 H 1 7.041 0.03 . 1 . . . A 15 PHE HD2 . 26047 1 197 . 1 1 19 19 PHE HE1 H 1 7.078 0.03 . 1 . . . A 15 PHE HE1 . 26047 1 198 . 1 1 19 19 PHE HE2 H 1 7.078 0.03 . 1 . . . A 15 PHE HE2 . 26047 1 199 . 1 1 19 19 PHE HZ H 1 7.064 0.03 . 1 . . . A 15 PHE HZ . 26047 1 200 . 1 1 19 19 PHE C C 13 174.388 0.3 . 1 . . . A 15 PHE C . 26047 1 201 . 1 1 19 19 PHE CA C 13 54.495 0.3 . 1 . . . A 15 PHE CA . 26047 1 202 . 1 1 19 19 PHE CB C 13 39.883 0.3 . 1 . . . A 15 PHE CB . 26047 1 203 . 1 1 19 19 PHE CD1 C 13 132.754 0.3 . 1 . . . A 15 PHE CD1 . 26047 1 204 . 1 1 19 19 PHE CD2 C 13 132.754 0.3 . 1 . . . A 15 PHE CD2 . 26047 1 205 . 1 1 19 19 PHE CE1 C 13 130.847 0.3 . 1 . . . A 15 PHE CE1 . 26047 1 206 . 1 1 19 19 PHE CE2 C 13 130.847 0.3 . 1 . . . A 15 PHE CE2 . 26047 1 207 . 1 1 19 19 PHE CZ C 13 128.764 0.3 . 1 . . . A 15 PHE CZ . 26047 1 208 . 1 1 19 19 PHE N N 15 124.865 0.3 . 1 . . . A 15 PHE N . 26047 1 209 . 1 1 20 20 PRO HA H 1 4.348 0.03 . 1 . . . A 16 PRO HA . 26047 1 210 . 1 1 20 20 PRO HB2 H 1 1.646 0.03 . 2 . . . A 16 PRO HB2 . 26047 1 211 . 1 1 20 20 PRO HB3 H 1 2.012 0.03 . 2 . . . A 16 PRO HB3 . 26047 1 212 . 1 1 20 20 PRO HG2 H 1 2.114 0.03 . 2 . . . A 16 PRO HG2 . 26047 1 213 . 1 1 20 20 PRO HG3 H 1 1.789 0.03 . 2 . . . A 16 PRO HG3 . 26047 1 214 . 1 1 20 20 PRO HD2 H 1 4.02 0.03 . 2 . . . A 16 PRO HD2 . 26047 1 215 . 1 1 20 20 PRO HD3 H 1 4.29 0.03 . 2 . . . A 16 PRO HD3 . 26047 1 216 . 1 1 20 20 PRO C C 13 175.449 0.3 . 1 . . . A 16 PRO C . 26047 1 217 . 1 1 20 20 PRO CA C 13 63.082 0.3 . 1 . . . A 16 PRO CA . 26047 1 218 . 1 1 20 20 PRO CB C 13 33.459 0.3 . 1 . . . A 16 PRO CB . 26047 1 219 . 1 1 20 20 PRO CG C 13 28.435 0.3 . 1 . . . A 16 PRO CG . 26047 1 220 . 1 1 20 20 PRO CD C 13 51.579 0.3 . 1 . . . A 16 PRO CD . 26047 1 221 . 1 1 21 21 MLY C C 13 175.991 0.3 . 1 . . . A 17 MLY C . 26047 1 222 . 1 1 21 21 MLY CA C 13 53.547 0.3 . 1 . . . A 17 MLY CA . 26047 1 223 . 1 1 21 21 MLY CB C 13 35.019 0.3 . 1 . . . A 17 MLY CB . 26047 1 224 . 1 1 21 21 MLY CD C 13 26.182 0.3 . 1 . . . A 17 MLY CD . 26047 1 225 . 1 1 21 21 MLY CE C 13 60.246 0.3 . 1 . . . A 17 MLY CE . 26047 1 226 . 1 1 21 21 MLY CG C 13 24.534 0.3 . 1 . . . A 17 MLY CG . 26047 1 227 . 1 1 21 21 MLY H H 1 8.485 0.03 . 1 . . . A 17 MLY H . 26047 1 228 . 1 1 21 21 MLY HA H 1 4.59 0.03 . 1 . . . A 17 MLY HA . 26047 1 229 . 1 1 21 21 MLY HB2 H 1 1.813 0.03 . 2 . . . A 17 MLY HB2 . 26047 1 230 . 1 1 21 21 MLY HB3 H 1 1.545 0.03 . 2 . . . A 17 MLY HB3 . 26047 1 231 . 1 1 21 21 MLY HD2 H 1 1.654 0.03 . 2 . . . A 17 MLY HD2 . 26047 1 232 . 1 1 21 21 MLY HD3 H 1 1.729 0.03 . 2 . . . A 17 MLY HD3 . 26047 1 233 . 1 1 21 21 MLY HE2 H 1 3.125 0.03 . 1 . . . A 17 MLY HE2 . 26047 1 234 . 1 1 21 21 MLY HE3 H 1 3.125 0.03 . 1 . . . A 17 MLY HE3 . 26047 1 235 . 1 1 21 21 MLY HG2 H 1 1.46 0.03 . 2 . . . A 17 MLY HG2 . 26047 1 236 . 1 1 21 21 MLY HG3 H 1 1.425 0.03 . 2 . . . A 17 MLY HG3 . 26047 1 237 . 1 1 21 21 MLY HH1 H 1 2.86 0 . 2 . . . A 17 MLY HH1 . 26047 1 238 . 1 1 21 21 MLY HH2 H 1 2.86 0 . 2 . . . A 17 MLY HH2 . 26047 1 239 . 1 1 21 21 MLY N N 15 121.273 0.3 . 1 . . . A 17 MLY N . 26047 1 240 . 1 1 22 22 ARG H H 1 8.489 0.03 . 1 . . . A 18 ARG H . 26047 1 241 . 1 1 22 22 ARG HA H 1 3.616 0.03 . 1 . . . A 18 ARG HA . 26047 1 242 . 1 1 22 22 ARG HB2 H 1 1.776 0.03 . 2 . . . A 18 ARG HB2 . 26047 1 243 . 1 1 22 22 ARG HB3 H 1 1.729 0.03 . 2 . . . A 18 ARG HB3 . 26047 1 244 . 1 1 22 22 ARG HG2 H 1 1.704 0.03 . 2 . . . A 18 ARG HG2 . 26047 1 245 . 1 1 22 22 ARG HG3 H 1 1.505 0.03 . 2 . . . A 18 ARG HG3 . 26047 1 246 . 1 1 22 22 ARG HD2 H 1 3.215 0.03 . 1 . . . A 18 ARG HD2 . 26047 1 247 . 1 1 22 22 ARG HD3 H 1 3.215 0.03 . 1 . . . A 18 ARG HD3 . 26047 1 248 . 1 1 22 22 ARG C C 13 177.336 0.3 . 1 . . . A 18 ARG C . 26047 1 249 . 1 1 22 22 ARG CA C 13 58.855 0.3 . 1 . . . A 18 ARG CA . 26047 1 250 . 1 1 22 22 ARG CB C 13 29.74 0.3 . 1 . . . A 18 ARG CB . 26047 1 251 . 1 1 22 22 ARG CG C 13 28.057 0.3 . 1 . . . A 18 ARG CG . 26047 1 252 . 1 1 22 22 ARG CD C 13 43.372 0.3 . 1 . . . A 18 ARG CD . 26047 1 253 . 1 1 22 22 ARG N N 15 120.621 0.3 . 1 . . . A 18 ARG N . 26047 1 254 . 1 1 23 23 GLY H H 1 8.682 0.03 . 1 . . . A 19 GLY H . 26047 1 255 . 1 1 23 23 GLY HA2 H 1 4.385 0.03 . 2 . . . A 19 GLY HA2 . 26047 1 256 . 1 1 23 23 GLY HA3 H 1 3.636 0.03 . 2 . . . A 19 GLY HA3 . 26047 1 257 . 1 1 23 23 GLY C C 13 174.204 0.3 . 1 . . . A 19 GLY C . 26047 1 258 . 1 1 23 23 GLY CA C 13 44.943 0.3 . 1 . . . A 19 GLY CA . 26047 1 259 . 1 1 23 23 GLY N N 15 112.901 0.3 . 1 . . . A 19 GLY N . 26047 1 260 . 1 1 24 24 GLN H H 1 8.103 0.03 . 1 . . . A 20 GLN H . 26047 1 261 . 1 1 24 24 GLN HA H 1 4.497 0.03 . 1 . . . A 20 GLN HA . 26047 1 262 . 1 1 24 24 GLN HB2 H 1 1.883 0.03 . 2 . . . A 20 GLN HB2 . 26047 1 263 . 1 1 24 24 GLN HB3 H 1 2.274 0.03 . 2 . . . A 20 GLN HB3 . 26047 1 264 . 1 1 24 24 GLN HG2 H 1 2.287 0.03 . 1 . . . A 20 GLN HG2 . 26047 1 265 . 1 1 24 24 GLN HG3 H 1 2.287 0.03 . 1 . . . A 20 GLN HG3 . 26047 1 266 . 1 1 24 24 GLN HE21 H 1 7.583 0.03 . 2 . . . A 20 GLN HE21 . 26047 1 267 . 1 1 24 24 GLN HE22 H 1 6.457 0.03 . 2 . . . A 20 GLN HE22 . 26047 1 268 . 1 1 24 24 GLN C C 13 174.974 0.3 . 1 . . . A 20 GLN C . 26047 1 269 . 1 1 24 24 GLN CA C 13 56.335 0.3 . 1 . . . A 20 GLN CA . 26047 1 270 . 1 1 24 24 GLN CB C 13 30.891 0.3 . 1 . . . A 20 GLN CB . 26047 1 271 . 1 1 24 24 GLN CG C 13 35.834 0.3 . 1 . . . A 20 GLN CG . 26047 1 272 . 1 1 24 24 GLN N N 15 118.698 0.3 . 1 . . . A 20 GLN N . 26047 1 273 . 1 1 24 24 GLN NE2 N 15 110.602 0.3 . 1 . . . A 20 GLN NE2 . 26047 1 274 . 1 1 25 25 THR H H 1 8.729 0.03 . 1 . . . A 21 THR H . 26047 1 275 . 1 1 25 25 THR HA H 1 4.457 0.03 . 1 . . . A 21 THR HA . 26047 1 276 . 1 1 25 25 THR HB H 1 3.881 0.03 . 1 . . . A 21 THR HB . 26047 1 277 . 1 1 25 25 THR HG21 H 1 0.805 0.03 . 1 . . . A 21 THR HG21 . 26047 1 278 . 1 1 25 25 THR HG22 H 1 0.805 0.03 . 1 . . . A 21 THR HG22 . 26047 1 279 . 1 1 25 25 THR HG23 H 1 0.805 0.03 . 1 . . . A 21 THR HG23 . 26047 1 280 . 1 1 25 25 THR C C 13 173.797 0.3 . 1 . . . A 21 THR C . 26047 1 281 . 1 1 25 25 THR CA C 13 63.067 0.3 . 1 . . . A 21 THR CA . 26047 1 282 . 1 1 25 25 THR CB C 13 68.825 0.3 . 1 . . . A 21 THR CB . 26047 1 283 . 1 1 25 25 THR CG2 C 13 21.393 0.3 . 1 . . . A 21 THR CG2 . 26047 1 284 . 1 1 25 25 THR N N 15 119.715 0.3 . 1 . . . A 21 THR N . 26047 1 285 . 1 1 26 26 CYS H H 1 8.826 0.03 . 1 . . . A 22 CYS H . 26047 1 286 . 1 1 26 26 CYS HA H 1 4.269 0.03 . 1 . . . A 22 CYS HA . 26047 1 287 . 1 1 26 26 CYS HB2 H 1 1.808 0.03 . 2 . . . A 22 CYS HB2 . 26047 1 288 . 1 1 26 26 CYS HB3 H 1 1.694 0.03 . 2 . . . A 22 CYS HB3 . 26047 1 289 . 1 1 26 26 CYS C C 13 172.458 0.3 . 1 . . . A 22 CYS C . 26047 1 290 . 1 1 26 26 CYS CA C 13 58.011 0.3 . 1 . . . A 22 CYS CA . 26047 1 291 . 1 1 26 26 CYS CB C 13 28.794 0.3 . 1 . . . A 22 CYS CB . 26047 1 292 . 1 1 26 26 CYS N N 15 126.008 0.3 . 1 . . . A 22 CYS N . 26047 1 293 . 1 1 27 27 VAL H H 1 8.063 0.03 . 1 . . . A 23 VAL H . 26047 1 294 . 1 1 27 27 VAL HA H 1 4.595 0.03 . 1 . . . A 23 VAL HA . 26047 1 295 . 1 1 27 27 VAL HB H 1 1.999 0.03 . 1 . . . A 23 VAL HB . 26047 1 296 . 1 1 27 27 VAL HG11 H 1 0.726 0.03 . 2 . . . A 23 VAL HG11 . 26047 1 297 . 1 1 27 27 VAL HG12 H 1 0.726 0.03 . 2 . . . A 23 VAL HG12 . 26047 1 298 . 1 1 27 27 VAL HG13 H 1 0.726 0.03 . 2 . . . A 23 VAL HG13 . 26047 1 299 . 1 1 27 27 VAL HG21 H 1 0.59 0.03 . 2 . . . A 23 VAL HG21 . 26047 1 300 . 1 1 27 27 VAL HG22 H 1 0.59 0.03 . 2 . . . A 23 VAL HG22 . 26047 1 301 . 1 1 27 27 VAL HG23 H 1 0.59 0.03 . 2 . . . A 23 VAL HG23 . 26047 1 302 . 1 1 27 27 VAL C C 13 175.899 0.3 . 1 . . . A 23 VAL C . 26047 1 303 . 1 1 27 27 VAL CA C 13 61.411 0.3 . 1 . . . A 23 VAL CA . 26047 1 304 . 1 1 27 27 VAL CB C 13 31.277 0.3 . 1 . . . A 23 VAL CB . 26047 1 305 . 1 1 27 27 VAL CG1 C 13 21.41 0.3 . 2 . . . A 23 VAL CG1 . 26047 1 306 . 1 1 27 27 VAL CG2 C 13 19.862 0.3 . 2 . . . A 23 VAL CG2 . 26047 1 307 . 1 1 27 27 VAL N N 15 123.456 0.3 . 1 . . . A 23 VAL N . 26047 1 308 . 1 1 28 28 VAL H H 1 9.62 0.03 . 1 . . . A 24 VAL H . 26047 1 309 . 1 1 28 28 VAL HA H 1 5.852 0.03 . 1 . . . A 24 VAL HA . 26047 1 310 . 1 1 28 28 VAL HB H 1 2.377 0.03 . 1 . . . A 24 VAL HB . 26047 1 311 . 1 1 28 28 VAL HG11 H 1 0.902 0.03 . 2 . . . A 24 VAL HG11 . 26047 1 312 . 1 1 28 28 VAL HG12 H 1 0.902 0.03 . 2 . . . A 24 VAL HG12 . 26047 1 313 . 1 1 28 28 VAL HG13 H 1 0.902 0.03 . 2 . . . A 24 VAL HG13 . 26047 1 314 . 1 1 28 28 VAL HG21 H 1 1.273 0.03 . 2 . . . A 24 VAL HG21 . 26047 1 315 . 1 1 28 28 VAL HG22 H 1 1.273 0.03 . 2 . . . A 24 VAL HG22 . 26047 1 316 . 1 1 28 28 VAL HG23 H 1 1.273 0.03 . 2 . . . A 24 VAL HG23 . 26047 1 317 . 1 1 28 28 VAL C C 13 175.589 0.3 . 1 . . . A 24 VAL C . 26047 1 318 . 1 1 28 28 VAL CA C 13 57.962 0.3 . 1 . . . A 24 VAL CA . 26047 1 319 . 1 1 28 28 VAL CB C 13 35.885 0.3 . 1 . . . A 24 VAL CB . 26047 1 320 . 1 1 28 28 VAL CG1 C 13 21.845 0.3 . 2 . . . A 24 VAL CG1 . 26047 1 321 . 1 1 28 28 VAL CG2 C 13 20.114 0.3 . 2 . . . A 24 VAL CG2 . 26047 1 322 . 1 1 28 28 VAL N N 15 118.126 0.3 . 1 . . . A 24 VAL N . 26047 1 323 . 1 1 29 29 HIS H H 1 8.579 0.03 . 1 . . . A 25 HIS H . 26047 1 324 . 1 1 29 29 HIS HA H 1 5.865 0.03 . 1 . . . A 25 HIS HA . 26047 1 325 . 1 1 29 29 HIS HB2 H 1 2.853 0.03 . 2 . . . A 25 HIS HB2 . 26047 1 326 . 1 1 29 29 HIS HB3 H 1 2.714 0.03 . 2 . . . A 25 HIS HB3 . 26047 1 327 . 1 1 29 29 HIS HD2 H 1 6.971 0.03 . 1 . . . A 25 HIS HD2 . 26047 1 328 . 1 1 29 29 HIS HE1 H 1 7.09 0.03 . 1 . . . A 25 HIS HE1 . 26047 1 329 . 1 1 29 29 HIS C C 13 176.663 0.3 . 1 . . . A 25 HIS C . 26047 1 330 . 1 1 29 29 HIS CA C 13 54.463 0.3 . 1 . . . A 25 HIS CA . 26047 1 331 . 1 1 29 29 HIS CB C 13 35.454 0.3 . 1 . . . A 25 HIS CB . 26047 1 332 . 1 1 29 29 HIS CD2 C 13 117.469 0.3 . 1 . . . A 25 HIS CD2 . 26047 1 333 . 1 1 29 29 HIS CE1 C 13 136.97 0.3 . 1 . . . A 25 HIS CE1 . 26047 1 334 . 1 1 29 29 HIS N N 15 118.824 0.3 . 1 . . . A 25 HIS N . 26047 1 335 . 1 1 30 30 TYR H H 1 9.937 0.03 . 1 . . . A 26 TYR H . 26047 1 336 . 1 1 30 30 TYR HA H 1 6.441 0.03 . 1 . . . A 26 TYR HA . 26047 1 337 . 1 1 30 30 TYR HB2 H 1 2.878 0.03 . 2 . . . A 26 TYR HB2 . 26047 1 338 . 1 1 30 30 TYR HB3 H 1 2.957 0.03 . 2 . . . A 26 TYR HB3 . 26047 1 339 . 1 1 30 30 TYR HD1 H 1 6.955 0.03 . 1 . . . A 26 TYR HD1 . 26047 1 340 . 1 1 30 30 TYR HD2 H 1 6.955 0.03 . 1 . . . A 26 TYR HD2 . 26047 1 341 . 1 1 30 30 TYR HE1 H 1 6.553 0.03 . 1 . . . A 26 TYR HE1 . 26047 1 342 . 1 1 30 30 TYR HE2 H 1 6.553 0.03 . 1 . . . A 26 TYR HE2 . 26047 1 343 . 1 1 30 30 TYR C C 13 173.864 0.3 . 1 . . . A 26 TYR C . 26047 1 344 . 1 1 30 30 TYR CA C 13 55.934 0.3 . 1 . . . A 26 TYR CA . 26047 1 345 . 1 1 30 30 TYR CB C 13 44.38 0.3 . 1 . . . A 26 TYR CB . 26047 1 346 . 1 1 30 30 TYR CD1 C 13 132.845 0.3 . 1 . . . A 26 TYR CD1 . 26047 1 347 . 1 1 30 30 TYR CD2 C 13 132.845 0.3 . 1 . . . A 26 TYR CD2 . 26047 1 348 . 1 1 30 30 TYR CE1 C 13 117.888 0.3 . 1 . . . A 26 TYR CE1 . 26047 1 349 . 1 1 30 30 TYR CE2 C 13 117.888 0.3 . 1 . . . A 26 TYR CE2 . 26047 1 350 . 1 1 30 30 TYR N N 15 118.524 0.3 . 1 . . . A 26 TYR N . 26047 1 351 . 1 1 31 31 THR H H 1 8.716 0.03 . 1 . . . A 27 THR H . 26047 1 352 . 1 1 31 31 THR HA H 1 4.482 0.03 . 1 . . . A 27 THR HA . 26047 1 353 . 1 1 31 31 THR HB H 1 3.968 0.03 . 1 . . . A 27 THR HB . 26047 1 354 . 1 1 31 31 THR HG21 H 1 1.2 0.03 . 1 . . . A 27 THR HG21 . 26047 1 355 . 1 1 31 31 THR HG22 H 1 1.2 0.03 . 1 . . . A 27 THR HG22 . 26047 1 356 . 1 1 31 31 THR HG23 H 1 1.2 0.03 . 1 . . . A 27 THR HG23 . 26047 1 357 . 1 1 31 31 THR C C 13 172.648 0.3 . 1 . . . A 27 THR C . 26047 1 358 . 1 1 31 31 THR CA C 13 63.163 0.3 . 1 . . . A 27 THR CA . 26047 1 359 . 1 1 31 31 THR CB C 13 72.324 0.3 . 1 . . . A 27 THR CB . 26047 1 360 . 1 1 31 31 THR CG2 C 13 22.225 0.3 . 1 . . . A 27 THR CG2 . 26047 1 361 . 1 1 31 31 THR N N 15 117.098 0.3 . 1 . . . A 27 THR N . 26047 1 362 . 1 1 32 32 GLY H H 1 9.316 0.03 . 1 . . . A 28 GLY H . 26047 1 363 . 1 1 32 32 GLY HA2 H 1 3.987 0.03 . 2 . . . A 28 GLY HA2 . 26047 1 364 . 1 1 32 32 GLY HA3 H 1 2.154 0.03 . 2 . . . A 28 GLY HA3 . 26047 1 365 . 1 1 32 32 GLY C C 13 171.083 0.3 . 1 . . . A 28 GLY C . 26047 1 366 . 1 1 32 32 GLY CA C 13 45.419 0.3 . 1 . . . A 28 GLY CA . 26047 1 367 . 1 1 32 32 GLY N N 15 115.59 0.3 . 1 . . . A 28 GLY N . 26047 1 368 . 1 1 33 33 MET H H 1 9.192 0.03 . 1 . . . A 29 MET H . 26047 1 369 . 1 1 33 33 MET HA H 1 5.251 0.03 . 1 . . . A 29 MET HA . 26047 1 370 . 1 1 33 33 MET HB2 H 1 1.941 0.03 . 2 . . . A 29 MET HB2 . 26047 1 371 . 1 1 33 33 MET HB3 H 1 1.857 0.03 . 2 . . . A 29 MET HB3 . 26047 1 372 . 1 1 33 33 MET HG2 H 1 2.019 0.03 . 2 . . . A 29 MET HG2 . 26047 1 373 . 1 1 33 33 MET HG3 H 1 2.327 0.03 . 2 . . . A 29 MET HG3 . 26047 1 374 . 1 1 33 33 MET HE1 H 1 1.891 0.03 . 1 . . . A 29 MET HE1 . 26047 1 375 . 1 1 33 33 MET HE2 H 1 1.891 0.03 . 1 . . . A 29 MET HE2 . 26047 1 376 . 1 1 33 33 MET HE3 H 1 1.891 0.03 . 1 . . . A 29 MET HE3 . 26047 1 377 . 1 1 33 33 MET C C 13 175.508 0.3 . 1 . . . A 29 MET C . 26047 1 378 . 1 1 33 33 MET CA C 13 54.221 0.3 . 1 . . . A 29 MET CA . 26047 1 379 . 1 1 33 33 MET CB C 13 37.913 0.3 . 1 . . . A 29 MET CB . 26047 1 380 . 1 1 33 33 MET CG C 13 31.86 0.3 . 1 . . . A 29 MET CG . 26047 1 381 . 1 1 33 33 MET CE C 13 16.836 0.3 . 1 . . . A 29 MET CE . 26047 1 382 . 1 1 33 33 MET N N 15 125.723 0.3 . 1 . . . A 29 MET N . 26047 1 383 . 1 1 34 34 LEU H H 1 8.433 0.03 . 1 . . . A 30 LEU H . 26047 1 384 . 1 1 34 34 LEU HA H 1 4.772 0.03 . 1 . . . A 30 LEU HA . 26047 1 385 . 1 1 34 34 LEU HB2 H 1 2.205 0.03 . 2 . . . A 30 LEU HB2 . 26047 1 386 . 1 1 34 34 LEU HB3 H 1 1.898 0.03 . 2 . . . A 30 LEU HB3 . 26047 1 387 . 1 1 34 34 LEU HG H 1 1.906 0.03 . 1 . . . A 30 LEU HG . 26047 1 388 . 1 1 34 34 LEU HD11 H 1 1.045 0.03 . 2 . . . A 30 LEU HD11 . 26047 1 389 . 1 1 34 34 LEU HD12 H 1 1.045 0.03 . 2 . . . A 30 LEU HD12 . 26047 1 390 . 1 1 34 34 LEU HD13 H 1 1.045 0.03 . 2 . . . A 30 LEU HD13 . 26047 1 391 . 1 1 34 34 LEU HD21 H 1 0.841 0.03 . 2 . . . A 30 LEU HD21 . 26047 1 392 . 1 1 34 34 LEU HD22 H 1 0.841 0.03 . 2 . . . A 30 LEU HD22 . 26047 1 393 . 1 1 34 34 LEU HD23 H 1 0.841 0.03 . 2 . . . A 30 LEU HD23 . 26047 1 394 . 1 1 34 34 LEU C C 13 179.278 0.3 . 1 . . . A 30 LEU C . 26047 1 395 . 1 1 34 34 LEU CA C 13 54.169 0.3 . 1 . . . A 30 LEU CA . 26047 1 396 . 1 1 34 34 LEU CB C 13 41.634 0.3 . 1 . . . A 30 LEU CB . 26047 1 397 . 1 1 34 34 LEU CG C 13 27.914 0.3 . 1 . . . A 30 LEU CG . 26047 1 398 . 1 1 34 34 LEU CD1 C 13 25.782 0.3 . 2 . . . A 30 LEU CD1 . 26047 1 399 . 1 1 34 34 LEU CD2 C 13 23.131 0.3 . 2 . . . A 30 LEU CD2 . 26047 1 400 . 1 1 34 34 LEU N N 15 119.15 0.3 . 1 . . . A 30 LEU N . 26047 1 401 . 1 1 35 35 GLU H H 1 9.11 0.03 . 1 . . . A 31 GLU H . 26047 1 402 . 1 1 35 35 GLU HA H 1 3.816 0.03 . 1 . . . A 31 GLU HA . 26047 1 403 . 1 1 35 35 GLU HB2 H 1 2.05 0.03 . 2 . . . A 31 GLU HB2 . 26047 1 404 . 1 1 35 35 GLU HB3 H 1 2.131 0.03 . 2 . . . A 31 GLU HB3 . 26047 1 405 . 1 1 35 35 GLU HG2 H 1 2.252 0.03 . 1 . . . A 31 GLU HG2 . 26047 1 406 . 1 1 35 35 GLU HG3 H 1 2.252 0.03 . 1 . . . A 31 GLU HG3 . 26047 1 407 . 1 1 35 35 GLU C C 13 176.568 0.3 . 1 . . . A 31 GLU C . 26047 1 408 . 1 1 35 35 GLU CA C 13 59.788 0.3 . 1 . . . A 31 GLU CA . 26047 1 409 . 1 1 35 35 GLU CB C 13 29.883 0.3 . 1 . . . A 31 GLU CB . 26047 1 410 . 1 1 35 35 GLU CG C 13 36.796 0.3 . 1 . . . A 31 GLU CG . 26047 1 411 . 1 1 35 35 GLU N N 15 120.636 0.3 . 1 . . . A 31 GLU N . 26047 1 412 . 1 1 36 36 ASP H H 1 7.826 0.03 . 1 . . . A 32 ASP H . 26047 1 413 . 1 1 36 36 ASP HA H 1 4.42 0.03 . 1 . . . A 32 ASP HA . 26047 1 414 . 1 1 36 36 ASP HB2 H 1 2.985 0.03 . 2 . . . A 32 ASP HB2 . 26047 1 415 . 1 1 36 36 ASP HB3 H 1 2.567 0.03 . 2 . . . A 32 ASP HB3 . 26047 1 416 . 1 1 36 36 ASP C C 13 177.209 0.3 . 1 . . . A 32 ASP C . 26047 1 417 . 1 1 36 36 ASP CA C 13 53.556 0.3 . 1 . . . A 32 ASP CA . 26047 1 418 . 1 1 36 36 ASP CB C 13 40.03 0.3 . 1 . . . A 32 ASP CB . 26047 1 419 . 1 1 36 36 ASP N N 15 115.429 0.3 . 1 . . . A 32 ASP N . 26047 1 420 . 1 1 37 37 GLY H H 1 8.222 0.03 . 1 . . . A 33 GLY H . 26047 1 421 . 1 1 37 37 GLY HA2 H 1 4.275 0.03 . 2 . . . A 33 GLY HA2 . 26047 1 422 . 1 1 37 37 GLY HA3 H 1 3.638 0.03 . 2 . . . A 33 GLY HA3 . 26047 1 423 . 1 1 37 37 GLY C C 13 174.277 0.3 . 1 . . . A 33 GLY C . 26047 1 424 . 1 1 37 37 GLY CA C 13 44.891 0.3 . 1 . . . A 33 GLY CA . 26047 1 425 . 1 1 37 37 GLY N N 15 108.489 0.3 . 1 . . . A 33 GLY N . 26047 1 426 . 1 1 38 38 MLY C C 13 176.263 0.3 . 1 . . . A 34 MLY C . 26047 1 427 . 1 1 38 38 MLY CA C 13 57.243 0.3 . 1 . . . A 34 MLY CA . 26047 1 428 . 1 1 38 38 MLY CB C 13 32.719 0.3 . 1 . . . A 34 MLY CB . 26047 1 429 . 1 1 38 38 MLY CD C 13 26.516 0.3 . 1 . . . A 34 MLY CD . 26047 1 430 . 1 1 38 38 MLY CE C 13 60.196 0.3 . 1 . . . A 34 MLY CE . 26047 1 431 . 1 1 38 38 MLY CG C 13 25.043 0.3 . 1 . . . A 34 MLY CG . 26047 1 432 . 1 1 38 38 MLY H H 1 7.861 0.03 . 1 . . . A 34 MLY H . 26047 1 433 . 1 1 38 38 MLY HA H 1 4.103 0.03 . 1 . . . A 34 MLY HA . 26047 1 434 . 1 1 38 38 MLY HB2 H 1 1.93 0.03 . 2 . . . A 34 MLY HB2 . 26047 1 435 . 1 1 38 38 MLY HB3 H 1 1.795 0.03 . 2 . . . A 34 MLY HB3 . 26047 1 436 . 1 1 38 38 MLY HD2 H 1 1.797 0.03 . 2 . . . A 34 MLY HD2 . 26047 1 437 . 1 1 38 38 MLY HD3 H 1 1.834 0.03 . 2 . . . A 34 MLY HD3 . 26047 1 438 . 1 1 38 38 MLY HE2 H 1 3.114 0.03 . 1 . . . A 34 MLY HE2 . 26047 1 439 . 1 1 38 38 MLY HE3 H 1 3.114 0.03 . 1 . . . A 34 MLY HE3 . 26047 1 440 . 1 1 38 38 MLY HG2 H 1 1.3 0.03 . 2 . . . A 34 MLY HG2 . 26047 1 441 . 1 1 38 38 MLY HG3 H 1 1.422 0.03 . 2 . . . A 34 MLY HG3 . 26047 1 442 . 1 1 38 38 MLY HH1 H 1 2.86 0 . 2 . . . A 34 MLY HH1 . 26047 1 443 . 1 1 38 38 MLY HH2 H 1 2.86 0 . 2 . . . A 34 MLY HH2 . 26047 1 444 . 1 1 38 38 MLY N N 15 121.723 0.3 . 1 . . . A 34 MLY N . 26047 1 445 . 1 1 39 39 MLY C C 13 176.491 0.3 . 1 . . . A 35 MLY C . 26047 1 446 . 1 1 39 39 MLY CA C 13 56.574 0.3 . 1 . . . A 35 MLY CA . 26047 1 447 . 1 1 39 39 MLY CB C 13 32.583 0.3 . 1 . . . A 35 MLY CB . 26047 1 448 . 1 1 39 39 MLY CD C 13 26.532 0.3 . 1 . . . A 35 MLY CD . 26047 1 449 . 1 1 39 39 MLY CE C 13 58.953 0.3 . 1 . . . A 35 MLY CE . 26047 1 450 . 1 1 39 39 MLY CG C 13 24.561 0.3 . 1 . . . A 35 MLY CG . 26047 1 451 . 1 1 39 39 MLY H H 1 8.574 0.03 . 1 . . . A 35 MLY H . 26047 1 452 . 1 1 39 39 MLY HA H 1 4.482 0.03 . 1 . . . A 35 MLY HA . 26047 1 453 . 1 1 39 39 MLY HB2 H 1 1.667 0.03 . 1 . . . A 35 MLY HB2 . 26047 1 454 . 1 1 39 39 MLY HB3 H 1 1.667 0.03 . 1 . . . A 35 MLY HB3 . 26047 1 455 . 1 1 39 39 MLY HD2 H 1 1.715 0.03 . 1 . . . A 35 MLY HD2 . 26047 1 456 . 1 1 39 39 MLY HD3 H 1 1.715 0.03 . 1 . . . A 35 MLY HD3 . 26047 1 457 . 1 1 39 39 MLY HE2 H 1 2.94 0.03 . 2 . . . A 35 MLY HE2 . 26047 1 458 . 1 1 39 39 MLY HE3 H 1 3.015 0.03 . 2 . . . A 35 MLY HE3 . 26047 1 459 . 1 1 39 39 MLY HG2 H 1 1.118 0.03 . 2 . . . A 35 MLY HG2 . 26047 1 460 . 1 1 39 39 MLY HG3 H 1 1.416 0.03 . 2 . . . A 35 MLY HG3 . 26047 1 461 . 1 1 39 39 MLY HH1 H 1 2.742 0 . 2 . . . A 35 MLY HH1 . 26047 1 462 . 1 1 39 39 MLY HH2 H 1 2.742 0 . 2 . . . A 35 MLY HH2 . 26047 1 463 . 1 1 39 39 MLY N N 15 127.611 0.3 . 1 . . . A 35 MLY N . 26047 1 464 . 1 1 40 40 PHE H H 1 8.495 0.03 . 1 . . . A 36 PHE H . 26047 1 465 . 1 1 40 40 PHE HA H 1 5.11 0.03 . 1 . . . A 36 PHE HA . 26047 1 466 . 1 1 40 40 PHE HB2 H 1 3.278 0.03 . 2 . . . A 36 PHE HB2 . 26047 1 467 . 1 1 40 40 PHE HB3 H 1 2.627 0.03 . 2 . . . A 36 PHE HB3 . 26047 1 468 . 1 1 40 40 PHE HD1 H 1 6.951 0.03 . 1 . . . A 36 PHE HD1 . 26047 1 469 . 1 1 40 40 PHE HD2 H 1 6.951 0.03 . 1 . . . A 36 PHE HD2 . 26047 1 470 . 1 1 40 40 PHE HE1 H 1 7.232 0.03 . 1 . . . A 36 PHE HE1 . 26047 1 471 . 1 1 40 40 PHE HE2 H 1 7.232 0.03 . 1 . . . A 36 PHE HE2 . 26047 1 472 . 1 1 40 40 PHE HZ H 1 7.03 0.03 . 1 . . . A 36 PHE HZ . 26047 1 473 . 1 1 40 40 PHE C C 13 174.493 0.3 . 1 . . . A 36 PHE C . 26047 1 474 . 1 1 40 40 PHE CA C 13 56.251 0.3 . 1 . . . A 36 PHE CA . 26047 1 475 . 1 1 40 40 PHE CB C 13 41.093 0.3 . 1 . . . A 36 PHE CB . 26047 1 476 . 1 1 40 40 PHE CD1 C 13 132.72 0.3 . 1 . . . A 36 PHE CD1 . 26047 1 477 . 1 1 40 40 PHE CD2 C 13 132.72 0.3 . 1 . . . A 36 PHE CD2 . 26047 1 478 . 1 1 40 40 PHE CE1 C 13 131.212 0.3 . 1 . . . A 36 PHE CE1 . 26047 1 479 . 1 1 40 40 PHE CE2 C 13 131.212 0.3 . 1 . . . A 36 PHE CE2 . 26047 1 480 . 1 1 40 40 PHE CZ C 13 129.808 0.3 . 1 . . . A 36 PHE CZ . 26047 1 481 . 1 1 40 40 PHE N N 15 121.28 0.3 . 1 . . . A 36 PHE N . 26047 1 482 . 1 1 41 41 ASP H H 1 6.765 0.03 . 1 . . . A 37 ASP H . 26047 1 483 . 1 1 41 41 ASP HA H 1 4.827 0.03 . 1 . . . A 37 ASP HA . 26047 1 484 . 1 1 41 41 ASP HB2 H 1 3.345 0.03 . 2 . . . A 37 ASP HB2 . 26047 1 485 . 1 1 41 41 ASP HB3 H 1 2.151 0.03 . 2 . . . A 37 ASP HB3 . 26047 1 486 . 1 1 41 41 ASP C C 13 174.807 0.3 . 1 . . . A 37 ASP C . 26047 1 487 . 1 1 41 41 ASP CA C 13 54.739 0.3 . 1 . . . A 37 ASP CA . 26047 1 488 . 1 1 41 41 ASP CB C 13 44.386 0.3 . 1 . . . A 37 ASP CB . 26047 1 489 . 1 1 41 41 ASP N N 15 118.871 0.3 . 1 . . . A 37 ASP N . 26047 1 490 . 1 1 42 42 SER H H 1 8.196 0.03 . 1 . . . A 38 SER H . 26047 1 491 . 1 1 42 42 SER HA H 1 4.581 0.03 . 1 . . . A 38 SER HA . 26047 1 492 . 1 1 42 42 SER HB2 H 1 3.979 0.03 . 2 . . . A 38 SER HB2 . 26047 1 493 . 1 1 42 42 SER HB3 H 1 3.597 0.03 . 2 . . . A 38 SER HB3 . 26047 1 494 . 1 1 42 42 SER C C 13 174.967 0.3 . 1 . . . A 38 SER C . 26047 1 495 . 1 1 42 42 SER CA C 13 57.033 0.3 . 1 . . . A 38 SER CA . 26047 1 496 . 1 1 42 42 SER CB C 13 64.862 0.3 . 1 . . . A 38 SER CB . 26047 1 497 . 1 1 42 42 SER N N 15 118.532 0.3 . 1 . . . A 38 SER N . 26047 1 498 . 1 1 43 43 SER H H 1 7.872 0.03 . 1 . . . A 39 SER H . 26047 1 499 . 1 1 43 43 SER HA H 1 4.131 0.03 . 1 . . . A 39 SER HA . 26047 1 500 . 1 1 43 43 SER HB2 H 1 5.041 0.03 . 2 . . . A 39 SER HB2 . 26047 1 501 . 1 1 43 43 SER HB3 H 1 3.777 0.03 . 2 . . . A 39 SER HB3 . 26047 1 502 . 1 1 43 43 SER C C 13 177.101 0.3 . 1 . . . A 39 SER C . 26047 1 503 . 1 1 43 43 SER CA C 13 61.69 0.3 . 1 . . . A 39 SER CA . 26047 1 504 . 1 1 43 43 SER CB C 13 61.632 0.3 . 1 . . . A 39 SER CB . 26047 1 505 . 1 1 43 43 SER N N 15 124.92 0.3 . 1 . . . A 39 SER N . 26047 1 506 . 1 1 44 44 ARG H H 1 7.617 0.03 . 1 . . . A 40 ARG H . 26047 1 507 . 1 1 44 44 ARG HA H 1 3.607 0.03 . 1 . . . A 40 ARG HA . 26047 1 508 . 1 1 44 44 ARG HB2 H 1 1.471 0.03 . 2 . . . A 40 ARG HB2 . 26047 1 509 . 1 1 44 44 ARG HB3 H 1 1.369 0.03 . 2 . . . A 40 ARG HB3 . 26047 1 510 . 1 1 44 44 ARG HG2 H 1 1.09 0.03 . 2 . . . A 40 ARG HG2 . 26047 1 511 . 1 1 44 44 ARG HG3 H 1 0.664 0.03 . 2 . . . A 40 ARG HG3 . 26047 1 512 . 1 1 44 44 ARG HD2 H 1 2.699 0.03 . 2 . . . A 40 ARG HD2 . 26047 1 513 . 1 1 44 44 ARG HD3 H 1 2.808 0.03 . 2 . . . A 40 ARG HD3 . 26047 1 514 . 1 1 44 44 ARG C C 13 179.844 0.3 . 1 . . . A 40 ARG C . 26047 1 515 . 1 1 44 44 ARG CA C 13 58.859 0.3 . 1 . . . A 40 ARG CA . 26047 1 516 . 1 1 44 44 ARG CB C 13 28.763 0.3 . 1 . . . A 40 ARG CB . 26047 1 517 . 1 1 44 44 ARG CG C 13 28.866 0.3 . 1 . . . A 40 ARG CG . 26047 1 518 . 1 1 44 44 ARG CD C 13 42.898 0.3 . 1 . . . A 40 ARG CD . 26047 1 519 . 1 1 44 44 ARG N N 15 124.309 0.3 . 1 . . . A 40 ARG N . 26047 1 520 . 1 1 45 45 ASP H H 1 7.079 0.03 . 1 . . . A 41 ASP H . 26047 1 521 . 1 1 45 45 ASP HA H 1 4.314 0.03 . 1 . . . A 41 ASP HA . 26047 1 522 . 1 1 45 45 ASP HB2 H 1 2.785 0.03 . 2 . . . A 41 ASP HB2 . 26047 1 523 . 1 1 45 45 ASP HB3 H 1 2.658 0.03 . 2 . . . A 41 ASP HB3 . 26047 1 524 . 1 1 45 45 ASP C C 13 176.75 0.3 . 1 . . . A 41 ASP C . 26047 1 525 . 1 1 45 45 ASP CA C 13 56.536 0.3 . 1 . . . A 41 ASP CA . 26047 1 526 . 1 1 45 45 ASP CB C 13 40.095 0.3 . 1 . . . A 41 ASP CB . 26047 1 527 . 1 1 45 45 ASP N N 15 118.394 0.3 . 1 . . . A 41 ASP N . 26047 1 528 . 1 1 46 46 ARG H H 1 6.859 0.03 . 1 . . . A 42 ARG H . 26047 1 529 . 1 1 46 46 ARG HA H 1 4.431 0.03 . 1 . . . A 42 ARG HA . 26047 1 530 . 1 1 46 46 ARG HB2 H 1 1.999 0.03 . 1 . . . A 42 ARG HB2 . 26047 1 531 . 1 1 46 46 ARG HB3 H 1 1.999 0.03 . 1 . . . A 42 ARG HB3 . 26047 1 532 . 1 1 46 46 ARG HG2 H 1 1.669 0.03 . 2 . . . A 42 ARG HG2 . 26047 1 533 . 1 1 46 46 ARG HG3 H 1 1.759 0.03 . 2 . . . A 42 ARG HG3 . 26047 1 534 . 1 1 46 46 ARG HD2 H 1 3.491 0.03 . 2 . . . A 42 ARG HD2 . 26047 1 535 . 1 1 46 46 ARG HD3 H 1 3.233 0.03 . 2 . . . A 42 ARG HD3 . 26047 1 536 . 1 1 46 46 ARG C C 13 175.43 0.3 . 1 . . . A 42 ARG C . 26047 1 537 . 1 1 46 46 ARG CA C 13 56.099 0.3 . 1 . . . A 42 ARG CA . 26047 1 538 . 1 1 46 46 ARG CB C 13 31.577 0.3 . 1 . . . A 42 ARG CB . 26047 1 539 . 1 1 46 46 ARG CG C 13 28.705 0.3 . 1 . . . A 42 ARG CG . 26047 1 540 . 1 1 46 46 ARG CD C 13 43.743 0.3 . 1 . . . A 42 ARG CD . 26047 1 541 . 1 1 46 46 ARG N N 15 115.037 0.3 . 1 . . . A 42 ARG N . 26047 1 542 . 1 1 47 47 ASN H H 1 7.804 0.03 . 1 . . . A 43 ASN H . 26047 1 543 . 1 1 47 47 ASN HA H 1 4.408 0.03 . 1 . . . A 43 ASN HA . 26047 1 544 . 1 1 47 47 ASN HB2 H 1 3.197 0.03 . 2 . . . A 43 ASN HB2 . 26047 1 545 . 1 1 47 47 ASN HB3 H 1 2.68 0.03 . 2 . . . A 43 ASN HB3 . 26047 1 546 . 1 1 47 47 ASN HD21 H 1 6.825 0.03 . 2 . . . A 43 ASN HD21 . 26047 1 547 . 1 1 47 47 ASN HD22 H 1 7.567 0.03 . 2 . . . A 43 ASN HD22 . 26047 1 548 . 1 1 47 47 ASN C C 13 174.108 0.3 . 1 . . . A 43 ASN C . 26047 1 549 . 1 1 47 47 ASN CA C 13 54.13 0.3 . 1 . . . A 43 ASN CA . 26047 1 550 . 1 1 47 47 ASN CB C 13 37.675 0.3 . 1 . . . A 43 ASN CB . 26047 1 551 . 1 1 47 47 ASN N N 15 115.52 0.3 . 1 . . . A 43 ASN N . 26047 1 552 . 1 1 47 47 ASN ND2 N 15 112.317 0.3 . 1 . . . A 43 ASN ND2 . 26047 1 553 . 1 1 48 48 MLY C C 13 172.366 0.3 . 1 . . . A 44 MLY C . 26047 1 554 . 1 1 48 48 MLY CA C 13 53.513 0.3 . 1 . . . A 44 MLY CA . 26047 1 555 . 1 1 48 48 MLY CB C 13 35.501 0.3 . 1 . . . A 44 MLY CB . 26047 1 556 . 1 1 48 48 MLY CD C 13 26.594 0.3 . 1 . . . A 44 MLY CD . 26047 1 557 . 1 1 48 48 MLY CE C 13 60.202 0.3 . 1 . . . A 44 MLY CE . 26047 1 558 . 1 1 48 48 MLY CG C 13 24.128 0.3 . 1 . . . A 44 MLY CG . 26047 1 559 . 1 1 48 48 MLY H H 1 7.394 0.03 . 1 . . . A 44 MLY H . 26047 1 560 . 1 1 48 48 MLY HA H 1 4.913 0.03 . 1 . . . A 44 MLY HA . 26047 1 561 . 1 1 48 48 MLY HB2 H 1 1.81 0.03 . 2 . . . A 44 MLY HB2 . 26047 1 562 . 1 1 48 48 MLY HB3 H 1 1.707 0.03 . 2 . . . A 44 MLY HB3 . 26047 1 563 . 1 1 48 48 MLY HD2 H 1 1.794 0.03 . 2 . . . A 44 MLY HD2 . 26047 1 564 . 1 1 48 48 MLY HD3 H 1 1.832 0.03 . 2 . . . A 44 MLY HD3 . 26047 1 565 . 1 1 48 48 MLY HE2 H 1 3.186 0.03 . 1 . . . A 44 MLY HE2 . 26047 1 566 . 1 1 48 48 MLY HE3 H 1 3.186 0.03 . 1 . . . A 44 MLY HE3 . 26047 1 567 . 1 1 48 48 MLY HG2 H 1 1.471 0.03 . 1 . . . A 44 MLY HG2 . 26047 1 568 . 1 1 48 48 MLY HG3 H 1 1.471 0.03 . 1 . . . A 44 MLY HG3 . 26047 1 569 . 1 1 48 48 MLY HH1 H 1 2.924 0 . 2 . . . A 44 MLY HH1 . 26047 1 570 . 1 1 48 48 MLY HH2 H 1 2.924 0 . 2 . . . A 44 MLY HH2 . 26047 1 571 . 1 1 48 48 MLY N N 15 115.449 0.3 . 1 . . . A 44 MLY N . 26047 1 572 . 1 1 49 49 PRO HA H 1 3.914 0.03 . 1 . . . A 45 PRO HA . 26047 1 573 . 1 1 49 49 PRO HB2 H 1 1.396 0.03 . 1 . . . A 45 PRO HB2 . 26047 1 574 . 1 1 49 49 PRO HB3 H 1 1.396 0.03 . 1 . . . A 45 PRO HB3 . 26047 1 575 . 1 1 49 49 PRO HG2 H 1 1.709 0.03 . 2 . . . A 45 PRO HG2 . 26047 1 576 . 1 1 49 49 PRO HG3 H 1 1.264 0.03 . 2 . . . A 45 PRO HG3 . 26047 1 577 . 1 1 49 49 PRO HD2 H 1 3.637 0.03 . 2 . . . A 45 PRO HD2 . 26047 1 578 . 1 1 49 49 PRO HD3 H 1 3.586 0.03 . 2 . . . A 45 PRO HD3 . 26047 1 579 . 1 1 49 49 PRO C C 13 174.205 0.3 . 1 . . . A 45 PRO C . 26047 1 580 . 1 1 49 49 PRO CA C 13 63.03 0.3 . 1 . . . A 45 PRO CA . 26047 1 581 . 1 1 49 49 PRO CB C 13 32.38 0.3 . 1 . . . A 45 PRO CB . 26047 1 582 . 1 1 49 49 PRO CG C 13 26.636 0.3 . 1 . . . A 45 PRO CG . 26047 1 583 . 1 1 49 49 PRO CD C 13 50.721 0.3 . 1 . . . A 45 PRO CD . 26047 1 584 . 1 1 50 50 PHE H H 1 9.177 0.03 . 1 . . . A 46 PHE H . 26047 1 585 . 1 1 50 50 PHE HA H 1 4.946 0.03 . 1 . . . A 46 PHE HA . 26047 1 586 . 1 1 50 50 PHE HB2 H 1 3.6 0.03 . 2 . . . A 46 PHE HB2 . 26047 1 587 . 1 1 50 50 PHE HB3 H 1 3.193 0.03 . 2 . . . A 46 PHE HB3 . 26047 1 588 . 1 1 50 50 PHE HD1 H 1 7.338 0.03 . 1 . . . A 46 PHE HD1 . 26047 1 589 . 1 1 50 50 PHE HD2 H 1 7.338 0.03 . 1 . . . A 46 PHE HD2 . 26047 1 590 . 1 1 50 50 PHE HE1 H 1 7.103 0.03 . 1 . . . A 46 PHE HE1 . 26047 1 591 . 1 1 50 50 PHE HE2 H 1 7.103 0.03 . 1 . . . A 46 PHE HE2 . 26047 1 592 . 1 1 50 50 PHE HZ H 1 7.131 0.03 . 1 . . . A 46 PHE HZ . 26047 1 593 . 1 1 50 50 PHE C C 13 172.978 0.3 . 1 . . . A 46 PHE C . 26047 1 594 . 1 1 50 50 PHE CA C 13 56.691 0.3 . 1 . . . A 46 PHE CA . 26047 1 595 . 1 1 50 50 PHE CB C 13 43.264 0.3 . 1 . . . A 46 PHE CB . 26047 1 596 . 1 1 50 50 PHE CD1 C 13 131.455 0.3 . 1 . . . A 46 PHE CD1 . 26047 1 597 . 1 1 50 50 PHE CD2 C 13 131.455 0.3 . 1 . . . A 46 PHE CD2 . 26047 1 598 . 1 1 50 50 PHE CE1 C 13 131.99 0.3 . 1 . . . A 46 PHE CE1 . 26047 1 599 . 1 1 50 50 PHE CE2 C 13 131.99 0.3 . 1 . . . A 46 PHE CE2 . 26047 1 600 . 1 1 50 50 PHE CZ C 13 130.168 0.3 . 1 . . . A 46 PHE CZ . 26047 1 601 . 1 1 50 50 PHE N N 15 124.351 0.3 . 1 . . . A 46 PHE N . 26047 1 602 . 1 1 51 51 MLY C C 13 174.626 0.3 . 1 . . . A 47 MLY C . 26047 1 603 . 1 1 51 51 MLY CA C 13 54.079 0.3 . 1 . . . A 47 MLY CA . 26047 1 604 . 1 1 51 51 MLY CB C 13 35.515 0.3 . 1 . . . A 47 MLY CB . 26047 1 605 . 1 1 51 51 MLY CD C 13 26.813 0.3 . 1 . . . A 47 MLY CD . 26047 1 606 . 1 1 51 51 MLY CE C 13 59.574 0.3 . 1 . . . A 47 MLY CE . 26047 1 607 . 1 1 51 51 MLY CG C 13 25.324 0.3 . 1 . . . A 47 MLY CG . 26047 1 608 . 1 1 51 51 MLY H H 1 7.406 0.03 . 1 . . . A 47 MLY H . 26047 1 609 . 1 1 51 51 MLY HA H 1 5.58 0.03 . 1 . . . A 47 MLY HA . 26047 1 610 . 1 1 51 51 MLY HB2 H 1 1.454 0.03 . 2 . . . A 47 MLY HB2 . 26047 1 611 . 1 1 51 51 MLY HB3 H 1 1.235 0.03 . 2 . . . A 47 MLY HB3 . 26047 1 612 . 1 1 51 51 MLY HD2 H 1 1.596 0.03 . 2 . . . A 47 MLY HD2 . 26047 1 613 . 1 1 51 51 MLY HD3 H 1 1.393 0.03 . 2 . . . A 47 MLY HD3 . 26047 1 614 . 1 1 51 51 MLY HE2 H 1 2.651 0.03 . 2 . . . A 47 MLY HE2 . 26047 1 615 . 1 1 51 51 MLY HE3 H 1 2.884 0.03 . 2 . . . A 47 MLY HE3 . 26047 1 616 . 1 1 51 51 MLY HG2 H 1 1.199 0.03 . 2 . . . A 47 MLY HG2 . 26047 1 617 . 1 1 51 51 MLY HG3 H 1 1.027 0.03 . 2 . . . A 47 MLY HG3 . 26047 1 618 . 1 1 51 51 MLY HH1 H 1 2.717 0 . 2 . . . A 47 MLY HH1 . 26047 1 619 . 1 1 51 51 MLY HH2 H 1 2.717 0 . 2 . . . A 47 MLY HH2 . 26047 1 620 . 1 1 51 51 MLY N N 15 124.234 0.3 . 1 . . . A 47 MLY N . 26047 1 621 . 1 1 52 52 PHE H H 1 7.968 0.03 . 1 . . . A 48 PHE H . 26047 1 622 . 1 1 52 52 PHE HA H 1 4.704 0.03 . 1 . . . A 48 PHE HA . 26047 1 623 . 1 1 52 52 PHE HB2 H 1 2.88 0.03 . 2 . . . A 48 PHE HB2 . 26047 1 624 . 1 1 52 52 PHE HB3 H 1 2.781 0.03 . 2 . . . A 48 PHE HB3 . 26047 1 625 . 1 1 52 52 PHE HD1 H 1 6.918 0.03 . 1 . . . A 48 PHE HD1 . 26047 1 626 . 1 1 52 52 PHE HD2 H 1 6.918 0.03 . 1 . . . A 48 PHE HD2 . 26047 1 627 . 1 1 52 52 PHE HE1 H 1 6.982 0.03 . 1 . . . A 48 PHE HE1 . 26047 1 628 . 1 1 52 52 PHE HE2 H 1 6.982 0.03 . 1 . . . A 48 PHE HE2 . 26047 1 629 . 1 1 52 52 PHE HZ H 1 6.848 0.03 . 1 . . . A 48 PHE HZ . 26047 1 630 . 1 1 52 52 PHE CA C 13 55.787 0.3 . 1 . . . A 48 PHE CA . 26047 1 631 . 1 1 52 52 PHE CB C 13 41.505 0.3 . 1 . . . A 48 PHE CB . 26047 1 632 . 1 1 52 52 PHE CD1 C 13 132.955 0.3 . 1 . . . A 48 PHE CD1 . 26047 1 633 . 1 1 52 52 PHE CD2 C 13 132.955 0.3 . 1 . . . A 48 PHE CD2 . 26047 1 634 . 1 1 52 52 PHE CE1 C 13 129.938 0.3 . 1 . . . A 48 PHE CE1 . 26047 1 635 . 1 1 52 52 PHE CE2 C 13 129.938 0.3 . 1 . . . A 48 PHE CE2 . 26047 1 636 . 1 1 52 52 PHE CZ C 13 127.797 0.3 . 1 . . . A 48 PHE CZ . 26047 1 637 . 1 1 52 52 PHE N N 15 115.409 0.3 . 1 . . . A 48 PHE N . 26047 1 638 . 1 1 53 53 MET H H 1 9.261 0.03 . 1 . . . A 49 MET H . 26047 1 639 . 1 1 53 53 MET HA H 1 4.681 0.03 . 1 . . . A 49 MET HA . 26047 1 640 . 1 1 53 53 MET HB2 H 1 1.807 0.03 . 2 . . . A 49 MET HB2 . 26047 1 641 . 1 1 53 53 MET HB3 H 1 1.854 0.03 . 2 . . . A 49 MET HB3 . 26047 1 642 . 1 1 53 53 MET HG2 H 1 2.073 0.03 . 1 . . . A 49 MET HG2 . 26047 1 643 . 1 1 53 53 MET HG3 H 1 2.073 0.03 . 1 . . . A 49 MET HG3 . 26047 1 644 . 1 1 53 53 MET HE1 H 1 2.072 0.03 . 1 . . . A 49 MET HE1 . 26047 1 645 . 1 1 53 53 MET HE2 H 1 2.072 0.03 . 1 . . . A 49 MET HE2 . 26047 1 646 . 1 1 53 53 MET HE3 H 1 2.072 0.03 . 1 . . . A 49 MET HE3 . 26047 1 647 . 1 1 53 53 MET C C 13 176.492 0.3 . 1 . . . A 49 MET C . 26047 1 648 . 1 1 53 53 MET CA C 13 54.487 0.3 . 1 . . . A 49 MET CA . 26047 1 649 . 1 1 53 53 MET CB C 13 33.755 0.3 . 1 . . . A 49 MET CB . 26047 1 650 . 1 1 53 53 MET CG C 13 31.452 0.3 . 1 . . . A 49 MET CG . 26047 1 651 . 1 1 53 53 MET CE C 13 16.949 0.3 . 1 . . . A 49 MET CE . 26047 1 652 . 1 1 53 53 MET N N 15 123.105 0.3 . 1 . . . A 49 MET N . 26047 1 653 . 1 1 54 54 LEU H H 1 8.633 0.03 . 1 . . . A 50 LEU H . 26047 1 654 . 1 1 54 54 LEU HA H 1 4.21 0.03 . 1 . . . A 50 LEU HA . 26047 1 655 . 1 1 54 54 LEU HB2 H 1 1.946 0.03 . 2 . . . A 50 LEU HB2 . 26047 1 656 . 1 1 54 54 LEU HB3 H 1 1.366 0.03 . 2 . . . A 50 LEU HB3 . 26047 1 657 . 1 1 54 54 LEU HG H 1 1.599 0.03 . 1 . . . A 50 LEU HG . 26047 1 658 . 1 1 54 54 LEU HD11 H 1 1.035 0.03 . 2 . . . A 50 LEU HD11 . 26047 1 659 . 1 1 54 54 LEU HD12 H 1 1.035 0.03 . 2 . . . A 50 LEU HD12 . 26047 1 660 . 1 1 54 54 LEU HD13 H 1 1.035 0.03 . 2 . . . A 50 LEU HD13 . 26047 1 661 . 1 1 54 54 LEU HD21 H 1 0.717 0.03 . 2 . . . A 50 LEU HD21 . 26047 1 662 . 1 1 54 54 LEU HD22 H 1 0.717 0.03 . 2 . . . A 50 LEU HD22 . 26047 1 663 . 1 1 54 54 LEU HD23 H 1 0.717 0.03 . 2 . . . A 50 LEU HD23 . 26047 1 664 . 1 1 54 54 LEU C C 13 177.825 0.3 . 1 . . . A 50 LEU C . 26047 1 665 . 1 1 54 54 LEU CA C 13 57.249 0.3 . 1 . . . A 50 LEU CA . 26047 1 666 . 1 1 54 54 LEU CB C 13 41.752 0.3 . 1 . . . A 50 LEU CB . 26047 1 667 . 1 1 54 54 LEU CG C 13 27.357 0.3 . 1 . . . A 50 LEU CG . 26047 1 668 . 1 1 54 54 LEU CD1 C 13 24.962 0.3 . 2 . . . A 50 LEU CD1 . 26047 1 669 . 1 1 54 54 LEU CD2 C 13 25.276 0.3 . 2 . . . A 50 LEU CD2 . 26047 1 670 . 1 1 54 54 LEU N N 15 131.689 0.3 . 1 . . . A 50 LEU N . 26047 1 671 . 1 1 55 55 GLY H H 1 10.027 0.03 . 1 . . . A 51 GLY H . 26047 1 672 . 1 1 55 55 GLY HA2 H 1 4.327 0.03 . 2 . . . A 51 GLY HA2 . 26047 1 673 . 1 1 55 55 GLY HA3 H 1 3.832 0.03 . 2 . . . A 51 GLY HA3 . 26047 1 674 . 1 1 55 55 GLY C C 13 174.433 0.3 . 1 . . . A 51 GLY C . 26047 1 675 . 1 1 55 55 GLY CA C 13 45.442 0.3 . 1 . . . A 51 GLY CA . 26047 1 676 . 1 1 55 55 GLY N N 15 118.586 0.3 . 1 . . . A 51 GLY N . 26047 1 677 . 1 1 56 56 MLY C C 13 175.32 0.3 . 1 . . . A 52 MLY C . 26047 1 678 . 1 1 56 56 MLY CA C 13 54.812 0.3 . 1 . . . A 52 MLY CA . 26047 1 679 . 1 1 56 56 MLY CB C 13 33.529 0.3 . 1 . . . A 52 MLY CB . 26047 1 680 . 1 1 56 56 MLY CD C 13 25.982 0.3 . 1 . . . A 52 MLY CD . 26047 1 681 . 1 1 56 56 MLY CE C 13 60.168 0.3 . 1 . . . A 52 MLY CE . 26047 1 682 . 1 1 56 56 MLY CG C 13 25.346 0.3 . 1 . . . A 52 MLY CG . 26047 1 683 . 1 1 56 56 MLY H H 1 7.575 0.03 . 1 . . . A 52 MLY H . 26047 1 684 . 1 1 56 56 MLY HA H 1 4.443 0.03 . 1 . . . A 52 MLY HA . 26047 1 685 . 1 1 56 56 MLY HB2 H 1 1.716 0.03 . 2 . . . A 52 MLY HB2 . 26047 1 686 . 1 1 56 56 MLY HB3 H 1 2.112 0.03 . 2 . . . A 52 MLY HB3 . 26047 1 687 . 1 1 56 56 MLY HD2 H 1 1.783 0.03 . 2 . . . A 52 MLY HD2 . 26047 1 688 . 1 1 56 56 MLY HD3 H 1 1.707 0.03 . 2 . . . A 52 MLY HD3 . 26047 1 689 . 1 1 56 56 MLY HE2 H 1 3.08 0.03 . 1 . . . A 52 MLY HE2 . 26047 1 690 . 1 1 56 56 MLY HE3 H 1 3.08 0.03 . 1 . . . A 52 MLY HE3 . 26047 1 691 . 1 1 56 56 MLY HG2 H 1 1.333 0.03 . 2 . . . A 52 MLY HG2 . 26047 1 692 . 1 1 56 56 MLY HG3 H 1 1.543 0.03 . 2 . . . A 52 MLY HG3 . 26047 1 693 . 1 1 56 56 MLY HH1 H 1 2.85 0 . 2 . . . A 52 MLY HH1 . 26047 1 694 . 1 1 56 56 MLY HH2 H 1 2.85 0 . 2 . . . A 52 MLY HH2 . 26047 1 695 . 1 1 56 56 MLY N N 15 119.376 0.3 . 1 . . . A 52 MLY N . 26047 1 696 . 1 1 57 57 GLN H H 1 9.055 0.03 . 1 . . . A 53 GLN H . 26047 1 697 . 1 1 57 57 GLN HA H 1 3.953 0.03 . 1 . . . A 53 GLN HA . 26047 1 698 . 1 1 57 57 GLN HB2 H 1 2.214 0.03 . 1 . . . A 53 GLN HB2 . 26047 1 699 . 1 1 57 57 GLN HB3 H 1 2.214 0.03 . 1 . . . A 53 GLN HB3 . 26047 1 700 . 1 1 57 57 GLN HG2 H 1 2.165 0.03 . 2 . . . A 53 GLN HG2 . 26047 1 701 . 1 1 57 57 GLN HG3 H 1 2.262 0.03 . 2 . . . A 53 GLN HG3 . 26047 1 702 . 1 1 57 57 GLN HE21 H 1 7.519 0.03 . 2 . . . A 53 GLN HE21 . 26047 1 703 . 1 1 57 57 GLN HE22 H 1 6.631 0.03 . 2 . . . A 53 GLN HE22 . 26047 1 704 . 1 1 57 57 GLN C C 13 176.013 0.3 . 1 . . . A 53 GLN C . 26047 1 705 . 1 1 57 57 GLN CA C 13 57.182 0.3 . 1 . . . A 53 GLN CA . 26047 1 706 . 1 1 57 57 GLN CB C 13 26.158 0.3 . 1 . . . A 53 GLN CB . 26047 1 707 . 1 1 57 57 GLN CG C 13 34.75 0.3 . 1 . . . A 53 GLN CG . 26047 1 708 . 1 1 57 57 GLN N N 15 116.921 0.3 . 1 . . . A 53 GLN N . 26047 1 709 . 1 1 57 57 GLN NE2 N 15 111.926 0.3 . 1 . . . A 53 GLN NE2 . 26047 1 710 . 1 1 58 58 GLU H H 1 9.389 0.03 . 1 . . . A 54 GLU H . 26047 1 711 . 1 1 58 58 GLU HA H 1 4.22 0.03 . 1 . . . A 54 GLU HA . 26047 1 712 . 1 1 58 58 GLU HB2 H 1 2.136 0.03 . 2 . . . A 54 GLU HB2 . 26047 1 713 . 1 1 58 58 GLU HB3 H 1 2.062 0.03 . 2 . . . A 54 GLU HB3 . 26047 1 714 . 1 1 58 58 GLU HG2 H 1 2.266 0.03 . 1 . . . A 54 GLU HG2 . 26047 1 715 . 1 1 58 58 GLU HG3 H 1 2.266 0.03 . 1 . . . A 54 GLU HG3 . 26047 1 716 . 1 1 58 58 GLU C C 13 176.221 0.3 . 1 . . . A 54 GLU C . 26047 1 717 . 1 1 58 58 GLU CA C 13 57.447 0.3 . 1 . . . A 54 GLU CA . 26047 1 718 . 1 1 58 58 GLU CB C 13 31.2 0.3 . 1 . . . A 54 GLU CB . 26047 1 719 . 1 1 58 58 GLU CG C 13 37.36 0.3 . 1 . . . A 54 GLU CG . 26047 1 720 . 1 1 58 58 GLU N N 15 117.417 0.3 . 1 . . . A 54 GLU N . 26047 1 721 . 1 1 59 59 VAL H H 1 6.82 0.03 . 1 . . . A 55 VAL H . 26047 1 722 . 1 1 59 59 VAL HA H 1 4.314 0.03 . 1 . . . A 55 VAL HA . 26047 1 723 . 1 1 59 59 VAL HB H 1 1.451 0.03 . 1 . . . A 55 VAL HB . 26047 1 724 . 1 1 59 59 VAL HG11 H 1 0.058 0.03 . 2 . . . A 55 VAL HG11 . 26047 1 725 . 1 1 59 59 VAL HG12 H 1 0.058 0.03 . 2 . . . A 55 VAL HG12 . 26047 1 726 . 1 1 59 59 VAL HG13 H 1 0.058 0.03 . 2 . . . A 55 VAL HG13 . 26047 1 727 . 1 1 59 59 VAL HG21 H 1 0.063 0.03 . 2 . . . A 55 VAL HG21 . 26047 1 728 . 1 1 59 59 VAL HG22 H 1 0.063 0.03 . 2 . . . A 55 VAL HG22 . 26047 1 729 . 1 1 59 59 VAL HG23 H 1 0.063 0.03 . 2 . . . A 55 VAL HG23 . 26047 1 730 . 1 1 59 59 VAL C C 13 175.226 0.3 . 1 . . . A 55 VAL C . 26047 1 731 . 1 1 59 59 VAL CA C 13 57.461 0.3 . 1 . . . A 55 VAL CA . 26047 1 732 . 1 1 59 59 VAL CB C 13 35.557 0.3 . 1 . . . A 55 VAL CB . 26047 1 733 . 1 1 59 59 VAL CG1 C 13 21.569 0.3 . 2 . . . A 55 VAL CG1 . 26047 1 734 . 1 1 59 59 VAL CG2 C 13 17.77 0.3 . 2 . . . A 55 VAL CG2 . 26047 1 735 . 1 1 59 59 VAL N N 15 108.426 0.3 . 1 . . . A 55 VAL N . 26047 1 736 . 1 1 60 60 ILE H H 1 7.404 0.03 . 1 . . . A 56 ILE H . 26047 1 737 . 1 1 60 60 ILE HA H 1 3.853 0.03 . 1 . . . A 56 ILE HA . 26047 1 738 . 1 1 60 60 ILE HB H 1 2.158 0.03 . 1 . . . A 56 ILE HB . 26047 1 739 . 1 1 60 60 ILE HG12 H 1 1.18 0.03 . 2 . . . A 56 ILE HG12 . 26047 1 740 . 1 1 60 60 ILE HG13 H 1 0.864 0.03 . 2 . . . A 56 ILE HG13 . 26047 1 741 . 1 1 60 60 ILE HG21 H 1 0.244 0.03 . 1 . . . A 56 ILE HG21 . 26047 1 742 . 1 1 60 60 ILE HG22 H 1 0.244 0.03 . 1 . . . A 56 ILE HG22 . 26047 1 743 . 1 1 60 60 ILE HG23 H 1 0.244 0.03 . 1 . . . A 56 ILE HG23 . 26047 1 744 . 1 1 60 60 ILE HD11 H 1 0.75 0.03 . 1 . . . A 56 ILE HD11 . 26047 1 745 . 1 1 60 60 ILE HD12 H 1 0.75 0.03 . 1 . . . A 56 ILE HD12 . 26047 1 746 . 1 1 60 60 ILE HD13 H 1 0.75 0.03 . 1 . . . A 56 ILE HD13 . 26047 1 747 . 1 1 60 60 ILE C C 13 177.344 0.3 . 1 . . . A 56 ILE C . 26047 1 748 . 1 1 60 60 ILE CA C 13 61.975 0.3 . 1 . . . A 56 ILE CA . 26047 1 749 . 1 1 60 60 ILE CB C 13 38.342 0.3 . 1 . . . A 56 ILE CB . 26047 1 750 . 1 1 60 60 ILE CG1 C 13 25.233 0.3 . 1 . . . A 56 ILE CG1 . 26047 1 751 . 1 1 60 60 ILE CG2 C 13 17.521 0.3 . 1 . . . A 56 ILE CG2 . 26047 1 752 . 1 1 60 60 ILE CD1 C 13 14.419 0.3 . 1 . . . A 56 ILE CD1 . 26047 1 753 . 1 1 60 60 ILE N N 15 111.618 0.3 . 1 . . . A 56 ILE N . 26047 1 754 . 1 1 61 61 ARG H H 1 8.631 0.03 . 1 . . . A 57 ARG H . 26047 1 755 . 1 1 61 61 ARG HA H 1 4.063 0.03 . 1 . . . A 57 ARG HA . 26047 1 756 . 1 1 61 61 ARG HB2 H 1 1.808 0.03 . 2 . . . A 57 ARG HB2 . 26047 1 757 . 1 1 61 61 ARG HB3 H 1 1.51 0.03 . 2 . . . A 57 ARG HB3 . 26047 1 758 . 1 1 61 61 ARG HG2 H 1 1.287 0.03 . 2 . . . A 57 ARG HG2 . 26047 1 759 . 1 1 61 61 ARG HG3 H 1 1.648 0.03 . 2 . . . A 57 ARG HG3 . 26047 1 760 . 1 1 61 61 ARG HD2 H 1 2.436 0.03 . 2 . . . A 57 ARG HD2 . 26047 1 761 . 1 1 61 61 ARG HD3 H 1 2.907 0.03 . 2 . . . A 57 ARG HD3 . 26047 1 762 . 1 1 61 61 ARG C C 13 179.428 0.3 . 1 . . . A 57 ARG C . 26047 1 763 . 1 1 61 61 ARG CA C 13 59.838 0.3 . 1 . . . A 57 ARG CA . 26047 1 764 . 1 1 61 61 ARG CB C 13 30.63 0.3 . 1 . . . A 57 ARG CB . 26047 1 765 . 1 1 61 61 ARG CG C 13 26.933 0.3 . 1 . . . A 57 ARG CG . 26047 1 766 . 1 1 61 61 ARG CD C 13 43.512 0.3 . 1 . . . A 57 ARG CD . 26047 1 767 . 1 1 61 61 ARG N N 15 124.436 0.3 . 1 . . . A 57 ARG N . 26047 1 768 . 1 1 62 62 GLY H H 1 9.688 0.03 . 1 . . . A 58 GLY H . 26047 1 769 . 1 1 62 62 GLY HA2 H 1 3.904 0.03 . 2 . . . A 58 GLY HA2 . 26047 1 770 . 1 1 62 62 GLY HA3 H 1 3.784 0.03 . 2 . . . A 58 GLY HA3 . 26047 1 771 . 1 1 62 62 GLY C C 13 175.21 0.3 . 1 . . . A 58 GLY C . 26047 1 772 . 1 1 62 62 GLY CA C 13 47.621 0.3 . 1 . . . A 58 GLY CA . 26047 1 773 . 1 1 62 62 GLY N N 15 107.151 0.3 . 1 . . . A 58 GLY N . 26047 1 774 . 1 1 63 63 TRP H H 1 7.534 0.03 . 1 . . . A 59 TRP H . 26047 1 775 . 1 1 63 63 TRP HA H 1 4.227 0.03 . 1 . . . A 59 TRP HA . 26047 1 776 . 1 1 63 63 TRP HB2 H 1 2.746 0.03 . 1 . . . A 59 TRP HB2 . 26047 1 777 . 1 1 63 63 TRP HB3 H 1 2.746 0.03 . 1 . . . A 59 TRP HB3 . 26047 1 778 . 1 1 63 63 TRP HD1 H 1 6.406 0.03 . 1 . . . A 59 TRP HD1 . 26047 1 779 . 1 1 63 63 TRP HE1 H 1 5.908 0.03 . 1 . . . A 59 TRP HE1 . 26047 1 780 . 1 1 63 63 TRP HE3 H 1 6.63 0.03 . 1 . . . A 59 TRP HE3 . 26047 1 781 . 1 1 63 63 TRP HZ2 H 1 6.207 0.03 . 1 . . . A 59 TRP HZ2 . 26047 1 782 . 1 1 63 63 TRP HZ3 H 1 6.636 0.03 . 1 . . . A 59 TRP HZ3 . 26047 1 783 . 1 1 63 63 TRP HH2 H 1 5.659 0.03 . 1 . . . A 59 TRP HH2 . 26047 1 784 . 1 1 63 63 TRP C C 13 177.529 0.3 . 1 . . . A 59 TRP C . 26047 1 785 . 1 1 63 63 TRP CA C 13 59.681 0.3 . 1 . . . A 59 TRP CA . 26047 1 786 . 1 1 63 63 TRP CB C 13 29.092 0.3 . 1 . . . A 59 TRP CB . 26047 1 787 . 1 1 63 63 TRP CD1 C 13 121.201 0.3 . 1 . . . A 59 TRP CD1 . 26047 1 788 . 1 1 63 63 TRP CE3 C 13 120.214 0.3 . 1 . . . A 59 TRP CE3 . 26047 1 789 . 1 1 63 63 TRP CZ2 C 13 111.909 0.3 . 1 . . . A 59 TRP CZ2 . 26047 1 790 . 1 1 63 63 TRP CZ3 C 13 121.347 0.3 . 1 . . . A 59 TRP CZ3 . 26047 1 791 . 1 1 63 63 TRP CH2 C 13 124.241 0.3 . 1 . . . A 59 TRP CH2 . 26047 1 792 . 1 1 63 63 TRP N N 15 119.956 0.3 . 1 . . . A 59 TRP N . 26047 1 793 . 1 1 63 63 TRP NE1 N 15 117.754 0.3 . 1 . . . A 59 TRP NE1 . 26047 1 794 . 1 1 64 64 GLU H H 1 7.275 0.03 . 1 . . . A 60 GLU H . 26047 1 795 . 1 1 64 64 GLU HA H 1 3.89 0.03 . 1 . . . A 60 GLU HA . 26047 1 796 . 1 1 64 64 GLU HB2 H 1 2.194 0.03 . 2 . . . A 60 GLU HB2 . 26047 1 797 . 1 1 64 64 GLU HB3 H 1 2.065 0.03 . 2 . . . A 60 GLU HB3 . 26047 1 798 . 1 1 64 64 GLU HG2 H 1 2.052 0.03 . 2 . . . A 60 GLU HG2 . 26047 1 799 . 1 1 64 64 GLU HG3 H 1 2.35 0.03 . 2 . . . A 60 GLU HG3 . 26047 1 800 . 1 1 64 64 GLU C C 13 178.377 0.3 . 1 . . . A 60 GLU C . 26047 1 801 . 1 1 64 64 GLU CA C 13 61.081 0.3 . 1 . . . A 60 GLU CA . 26047 1 802 . 1 1 64 64 GLU CB C 13 29.417 0.3 . 1 . . . A 60 GLU CB . 26047 1 803 . 1 1 64 64 GLU CG C 13 37.533 0.3 . 1 . . . A 60 GLU CG . 26047 1 804 . 1 1 64 64 GLU N N 15 118.374 0.3 . 1 . . . A 60 GLU N . 26047 1 805 . 1 1 65 65 GLU H H 1 8.39 0.03 . 1 . . . A 61 GLU H . 26047 1 806 . 1 1 65 65 GLU HA H 1 4.149 0.03 . 1 . . . A 61 GLU HA . 26047 1 807 . 1 1 65 65 GLU HB2 H 1 2.129 0.03 . 2 . . . A 61 GLU HB2 . 26047 1 808 . 1 1 65 65 GLU HB3 H 1 1.889 0.03 . 2 . . . A 61 GLU HB3 . 26047 1 809 . 1 1 65 65 GLU HG2 H 1 2.266 0.03 . 2 . . . A 61 GLU HG2 . 26047 1 810 . 1 1 65 65 GLU HG3 H 1 2.413 0.03 . 2 . . . A 61 GLU HG3 . 26047 1 811 . 1 1 65 65 GLU C C 13 179.32 0.3 . 1 . . . A 61 GLU C . 26047 1 812 . 1 1 65 65 GLU CA C 13 58.633 0.3 . 1 . . . A 61 GLU CA . 26047 1 813 . 1 1 65 65 GLU CB C 13 29.872 0.3 . 1 . . . A 61 GLU CB . 26047 1 814 . 1 1 65 65 GLU CG C 13 36.732 0.3 . 1 . . . A 61 GLU CG . 26047 1 815 . 1 1 65 65 GLU N N 15 113.896 0.3 . 1 . . . A 61 GLU N . 26047 1 816 . 1 1 66 66 GLY H H 1 7.932 0.03 . 1 . . . A 62 GLY H . 26047 1 817 . 1 1 66 66 GLY HA2 H 1 3.7 0.03 . 2 . . . A 62 GLY HA2 . 26047 1 818 . 1 1 66 66 GLY HA3 H 1 3.593 0.03 . 2 . . . A 62 GLY HA3 . 26047 1 819 . 1 1 66 66 GLY C C 13 174.585 0.3 . 1 . . . A 62 GLY C . 26047 1 820 . 1 1 66 66 GLY CA C 13 47.194 0.3 . 1 . . . A 62 GLY CA . 26047 1 821 . 1 1 66 66 GLY N N 15 106.899 0.3 . 1 . . . A 62 GLY N . 26047 1 822 . 1 1 67 67 VAL H H 1 8.688 0.03 . 1 . . . A 63 VAL H . 26047 1 823 . 1 1 67 67 VAL HA H 1 3.927 0.03 . 1 . . . A 63 VAL HA . 26047 1 824 . 1 1 67 67 VAL HB H 1 2.267 0.03 . 1 . . . A 63 VAL HB . 26047 1 825 . 1 1 67 67 VAL HG11 H 1 1.079 0.03 . 2 . . . A 63 VAL HG11 . 26047 1 826 . 1 1 67 67 VAL HG12 H 1 1.079 0.03 . 2 . . . A 63 VAL HG12 . 26047 1 827 . 1 1 67 67 VAL HG13 H 1 1.079 0.03 . 2 . . . A 63 VAL HG13 . 26047 1 828 . 1 1 67 67 VAL HG21 H 1 1.018 0.03 . 2 . . . A 63 VAL HG21 . 26047 1 829 . 1 1 67 67 VAL HG22 H 1 1.018 0.03 . 2 . . . A 63 VAL HG22 . 26047 1 830 . 1 1 67 67 VAL HG23 H 1 1.018 0.03 . 2 . . . A 63 VAL HG23 . 26047 1 831 . 1 1 67 67 VAL C C 13 177.334 0.3 . 1 . . . A 63 VAL C . 26047 1 832 . 1 1 67 67 VAL CA C 13 65.419 0.3 . 1 . . . A 63 VAL CA . 26047 1 833 . 1 1 67 67 VAL CB C 13 31.126 0.3 . 1 . . . A 63 VAL CB . 26047 1 834 . 1 1 67 67 VAL CG1 C 13 22.686 0.3 . 2 . . . A 63 VAL CG1 . 26047 1 835 . 1 1 67 67 VAL CG2 C 13 23.856 0.3 . 2 . . . A 63 VAL CG2 . 26047 1 836 . 1 1 67 67 VAL N N 15 120.73 0.3 . 1 . . . A 63 VAL N . 26047 1 837 . 1 1 68 68 ALA H H 1 7.16 0.03 . 1 . . . A 64 ALA H . 26047 1 838 . 1 1 68 68 ALA HA H 1 4.014 0.03 . 1 . . . A 64 ALA HA . 26047 1 839 . 1 1 68 68 ALA HB1 H 1 1.562 0.03 . 1 . . . A 64 ALA HB1 . 26047 1 840 . 1 1 68 68 ALA HB2 H 1 1.562 0.03 . 1 . . . A 64 ALA HB2 . 26047 1 841 . 1 1 68 68 ALA HB3 H 1 1.562 0.03 . 1 . . . A 64 ALA HB3 . 26047 1 842 . 1 1 68 68 ALA C C 13 177.759 0.3 . 1 . . . A 64 ALA C . 26047 1 843 . 1 1 68 68 ALA CA C 13 54.526 0.3 . 1 . . . A 64 ALA CA . 26047 1 844 . 1 1 68 68 ALA CB C 13 18.715 0.3 . 1 . . . A 64 ALA CB . 26047 1 845 . 1 1 68 68 ALA N N 15 117.132 0.3 . 1 . . . A 64 ALA N . 26047 1 846 . 1 1 69 69 GLN H H 1 7.143 0.03 . 1 . . . A 65 GLN H . 26047 1 847 . 1 1 69 69 GLN HA H 1 4.359 0.03 . 1 . . . A 65 GLN HA . 26047 1 848 . 1 1 69 69 GLN HB2 H 1 2.385 0.03 . 2 . . . A 65 GLN HB2 . 26047 1 849 . 1 1 69 69 GLN HB3 H 1 2.121 0.03 . 2 . . . A 65 GLN HB3 . 26047 1 850 . 1 1 69 69 GLN HG2 H 1 2.375 0.03 . 2 . . . A 65 GLN HG2 . 26047 1 851 . 1 1 69 69 GLN HG3 H 1 2.534 0.03 . 2 . . . A 65 GLN HG3 . 26047 1 852 . 1 1 69 69 GLN HE21 H 1 7.171 0.03 . 2 . . . A 65 GLN HE21 . 26047 1 853 . 1 1 69 69 GLN HE22 H 1 7.059 0.03 . 2 . . . A 65 GLN HE22 . 26047 1 854 . 1 1 69 69 GLN C C 13 175.568 0.3 . 1 . . . A 65 GLN C . 26047 1 855 . 1 1 69 69 GLN CA C 13 55.459 0.3 . 1 . . . A 65 GLN CA . 26047 1 856 . 1 1 69 69 GLN CB C 13 30.028 0.3 . 1 . . . A 65 GLN CB . 26047 1 857 . 1 1 69 69 GLN CG C 13 34.384 0.3 . 1 . . . A 65 GLN CG . 26047 1 858 . 1 1 69 69 GLN N N 15 112.231 0.3 . 1 . . . A 65 GLN N . 26047 1 859 . 1 1 69 69 GLN NE2 N 15 111.207 0.3 . 1 . . . A 65 GLN NE2 . 26047 1 860 . 1 1 70 70 MET H H 1 7.965 0.03 . 1 . . . A 66 MET H . 26047 1 861 . 1 1 70 70 MET HA H 1 4.788 0.03 . 1 . . . A 66 MET HA . 26047 1 862 . 1 1 70 70 MET HB2 H 1 2.145 0.03 . 2 . . . A 66 MET HB2 . 26047 1 863 . 1 1 70 70 MET HB3 H 1 1.999 0.03 . 2 . . . A 66 MET HB3 . 26047 1 864 . 1 1 70 70 MET HG2 H 1 1.934 0.03 . 2 . . . A 66 MET HG2 . 26047 1 865 . 1 1 70 70 MET HG3 H 1 2.738 0.03 . 2 . . . A 66 MET HG3 . 26047 1 866 . 1 1 70 70 MET HE1 H 1 1.872 0.03 . 1 . . . A 66 MET HE1 . 26047 1 867 . 1 1 70 70 MET HE2 H 1 1.872 0.03 . 1 . . . A 66 MET HE2 . 26047 1 868 . 1 1 70 70 MET HE3 H 1 1.872 0.03 . 1 . . . A 66 MET HE3 . 26047 1 869 . 1 1 70 70 MET C C 13 172.467 0.3 . 1 . . . A 66 MET C . 26047 1 870 . 1 1 70 70 MET CA C 13 55.118 0.3 . 1 . . . A 66 MET CA . 26047 1 871 . 1 1 70 70 MET CB C 13 35.667 0.3 . 1 . . . A 66 MET CB . 26047 1 872 . 1 1 70 70 MET CG C 13 31.343 0.3 . 1 . . . A 66 MET CG . 26047 1 873 . 1 1 70 70 MET CE C 13 17.565 0.3 . 1 . . . A 66 MET CE . 26047 1 874 . 1 1 70 70 MET N N 15 122.412 0.3 . 1 . . . A 66 MET N . 26047 1 875 . 1 1 71 71 SER H H 1 8.182 0.03 . 1 . . . A 67 SER H . 26047 1 876 . 1 1 71 71 SER HA H 1 4.833 0.03 . 1 . . . A 67 SER HA . 26047 1 877 . 1 1 71 71 SER HB2 H 1 3.735 0.03 . 2 . . . A 67 SER HB2 . 26047 1 878 . 1 1 71 71 SER HB3 H 1 2.368 0.03 . 2 . . . A 67 SER HB3 . 26047 1 879 . 1 1 71 71 SER C C 13 176.275 0.3 . 1 . . . A 67 SER C . 26047 1 880 . 1 1 71 71 SER CA C 13 54.465 0.3 . 1 . . . A 67 SER CA . 26047 1 881 . 1 1 71 71 SER CB C 13 65.982 0.3 . 1 . . . A 67 SER CB . 26047 1 882 . 1 1 71 71 SER N N 15 107.611 0.3 . 1 . . . A 67 SER N . 26047 1 883 . 1 1 72 72 VAL H H 1 7.65 0.03 . 1 . . . A 68 VAL H . 26047 1 884 . 1 1 72 72 VAL HA H 1 3.105 0.03 . 1 . . . A 68 VAL HA . 26047 1 885 . 1 1 72 72 VAL HB H 1 1.798 0.03 . 1 . . . A 68 VAL HB . 26047 1 886 . 1 1 72 72 VAL HG11 H 1 0.866 0.03 . 2 . . . A 68 VAL HG11 . 26047 1 887 . 1 1 72 72 VAL HG12 H 1 0.866 0.03 . 2 . . . A 68 VAL HG12 . 26047 1 888 . 1 1 72 72 VAL HG13 H 1 0.866 0.03 . 2 . . . A 68 VAL HG13 . 26047 1 889 . 1 1 72 72 VAL HG21 H 1 0.83 0.03 . 2 . . . A 68 VAL HG21 . 26047 1 890 . 1 1 72 72 VAL HG22 H 1 0.83 0.03 . 2 . . . A 68 VAL HG22 . 26047 1 891 . 1 1 72 72 VAL HG23 H 1 0.83 0.03 . 2 . . . A 68 VAL HG23 . 26047 1 892 . 1 1 72 72 VAL C C 13 176.39 0.3 . 1 . . . A 68 VAL C . 26047 1 893 . 1 1 72 72 VAL CA C 13 67.074 0.3 . 1 . . . A 68 VAL CA . 26047 1 894 . 1 1 72 72 VAL CB C 13 31.503 0.3 . 1 . . . A 68 VAL CB . 26047 1 895 . 1 1 72 72 VAL CG1 C 13 23.132 0.3 . 2 . . . A 68 VAL CG1 . 26047 1 896 . 1 1 72 72 VAL CG2 C 13 21.535 0.3 . 2 . . . A 68 VAL CG2 . 26047 1 897 . 1 1 72 72 VAL N N 15 119.266 0.3 . 1 . . . A 68 VAL N . 26047 1 898 . 1 1 73 73 GLY H H 1 8.855 0.03 . 1 . . . A 69 GLY H . 26047 1 899 . 1 1 73 73 GLY HA2 H 1 4.417 0.03 . 2 . . . A 69 GLY HA2 . 26047 1 900 . 1 1 73 73 GLY HA3 H 1 3.819 0.03 . 2 . . . A 69 GLY HA3 . 26047 1 901 . 1 1 73 73 GLY C C 13 173.934 0.3 . 1 . . . A 69 GLY C . 26047 1 902 . 1 1 73 73 GLY CA C 13 44.407 0.3 . 1 . . . A 69 GLY CA . 26047 1 903 . 1 1 73 73 GLY N N 15 116.9 0.3 . 1 . . . A 69 GLY N . 26047 1 904 . 1 1 74 74 GLN H H 1 8.607 0.03 . 1 . . . A 70 GLN H . 26047 1 905 . 1 1 74 74 GLN HA H 1 4.035 0.03 . 1 . . . A 70 GLN HA . 26047 1 906 . 1 1 74 74 GLN HB2 H 1 2.174 0.03 . 1 . . . A 70 GLN HB2 . 26047 1 907 . 1 1 74 74 GLN HB3 H 1 2.174 0.03 . 1 . . . A 70 GLN HB3 . 26047 1 908 . 1 1 74 74 GLN HG2 H 1 2.179 0.03 . 2 . . . A 70 GLN HG2 . 26047 1 909 . 1 1 74 74 GLN HG3 H 1 2.966 0.03 . 2 . . . A 70 GLN HG3 . 26047 1 910 . 1 1 74 74 GLN HE21 H 1 7.587 0.03 . 2 . . . A 70 GLN HE21 . 26047 1 911 . 1 1 74 74 GLN HE22 H 1 6.49 0.03 . 2 . . . A 70 GLN HE22 . 26047 1 912 . 1 1 74 74 GLN C C 13 173.663 0.3 . 1 . . . A 70 GLN C . 26047 1 913 . 1 1 74 74 GLN CA C 13 55.788 0.3 . 1 . . . A 70 GLN CA . 26047 1 914 . 1 1 74 74 GLN CB C 13 30.551 0.3 . 1 . . . A 70 GLN CB . 26047 1 915 . 1 1 74 74 GLN CG C 13 33.52 0.3 . 1 . . . A 70 GLN CG . 26047 1 916 . 1 1 74 74 GLN N N 15 123.21 0.3 . 1 . . . A 70 GLN N . 26047 1 917 . 1 1 74 74 GLN NE2 N 15 108.578 0.3 . 1 . . . A 70 GLN NE2 . 26047 1 918 . 1 1 75 75 ARG H H 1 8.802 0.03 . 1 . . . A 71 ARG H . 26047 1 919 . 1 1 75 75 ARG HA H 1 5.66 0.03 . 1 . . . A 71 ARG HA . 26047 1 920 . 1 1 75 75 ARG HB2 H 1 1.855 0.03 . 2 . . . A 71 ARG HB2 . 26047 1 921 . 1 1 75 75 ARG HB3 H 1 1.562 0.03 . 2 . . . A 71 ARG HB3 . 26047 1 922 . 1 1 75 75 ARG HG2 H 1 1.402 0.03 . 2 . . . A 71 ARG HG2 . 26047 1 923 . 1 1 75 75 ARG HG3 H 1 1.558 0.03 . 2 . . . A 71 ARG HG3 . 26047 1 924 . 1 1 75 75 ARG HD2 H 1 2.905 0.03 . 2 . . . A 71 ARG HD2 . 26047 1 925 . 1 1 75 75 ARG HD3 H 1 2.98 0.03 . 2 . . . A 71 ARG HD3 . 26047 1 926 . 1 1 75 75 ARG HE H 1 8.962 0.03 . 1 . . . A 71 ARG HE . 26047 1 927 . 1 1 75 75 ARG C C 13 175.582 0.3 . 1 . . . A 71 ARG C . 26047 1 928 . 1 1 75 75 ARG CA C 13 53.936 0.3 . 1 . . . A 71 ARG CA . 26047 1 929 . 1 1 75 75 ARG CB C 13 33.739 0.3 . 1 . . . A 71 ARG CB . 26047 1 930 . 1 1 75 75 ARG CG C 13 27.222 0.3 . 1 . . . A 71 ARG CG . 26047 1 931 . 1 1 75 75 ARG CD C 13 44.369 0.3 . 1 . . . A 71 ARG CD . 26047 1 932 . 1 1 75 75 ARG N N 15 124.586 0.3 . 1 . . . A 71 ARG N . 26047 1 933 . 1 1 75 75 ARG NE N 15 113.932 0.3 . 1 . . . A 71 ARG NE . 26047 1 934 . 1 1 76 76 ALA H H 1 9.93 0.03 . 1 . . . A 72 ALA H . 26047 1 935 . 1 1 76 76 ALA HA H 1 5.113 0.03 . 1 . . . A 72 ALA HA . 26047 1 936 . 1 1 76 76 ALA HB1 H 1 1.285 0.03 . 1 . . . A 72 ALA HB1 . 26047 1 937 . 1 1 76 76 ALA HB2 H 1 1.285 0.03 . 1 . . . A 72 ALA HB2 . 26047 1 938 . 1 1 76 76 ALA HB3 H 1 1.285 0.03 . 1 . . . A 72 ALA HB3 . 26047 1 939 . 1 1 76 76 ALA C C 13 173.133 0.3 . 1 . . . A 72 ALA C . 26047 1 940 . 1 1 76 76 ALA CA C 13 51.12 0.3 . 1 . . . A 72 ALA CA . 26047 1 941 . 1 1 76 76 ALA CB C 13 23.583 0.3 . 1 . . . A 72 ALA CB . 26047 1 942 . 1 1 76 76 ALA N N 15 130.97 0.3 . 1 . . . A 72 ALA N . 26047 1 943 . 1 1 77 77 MLY C C 13 175.915 0.3 . 1 . . . A 73 MLY C . 26047 1 944 . 1 1 77 77 MLY CA C 13 54.624 0.3 . 1 . . . A 73 MLY CA . 26047 1 945 . 1 1 77 77 MLY CB C 13 34.467 0.3 . 1 . . . A 73 MLY CB . 26047 1 946 . 1 1 77 77 MLY CD C 13 26.879 0.3 . 1 . . . A 73 MLY CD . 26047 1 947 . 1 1 77 77 MLY CE C 13 59.739 0.3 . 1 . . . A 73 MLY CE . 26047 1 948 . 1 1 77 77 MLY CG C 13 25.182 0.3 . 1 . . . A 73 MLY CG . 26047 1 949 . 1 1 77 77 MLY H H 1 9.224 0.03 . 1 . . . A 73 MLY H . 26047 1 950 . 1 1 77 77 MLY HA H 1 5.238 0.03 . 1 . . . A 73 MLY HA . 26047 1 951 . 1 1 77 77 MLY HB2 H 1 1.779 0.03 . 2 . . . A 73 MLY HB2 . 26047 1 952 . 1 1 77 77 MLY HB3 H 1 1.633 0.03 . 2 . . . A 73 MLY HB3 . 26047 1 953 . 1 1 77 77 MLY HD2 H 1 1.662 0.03 . 2 . . . A 73 MLY HD2 . 26047 1 954 . 1 1 77 77 MLY HD3 H 1 1.622 0.03 . 2 . . . A 73 MLY HD3 . 26047 1 955 . 1 1 77 77 MLY HE2 H 1 2.89 0.03 . 1 . . . A 73 MLY HE2 . 26047 1 956 . 1 1 77 77 MLY HE3 H 1 2.89 0.03 . 1 . . . A 73 MLY HE3 . 26047 1 957 . 1 1 77 77 MLY HG2 H 1 1.142 0.03 . 2 . . . A 73 MLY HG2 . 26047 1 958 . 1 1 77 77 MLY HG3 H 1 1.282 0.03 . 2 . . . A 73 MLY HG3 . 26047 1 959 . 1 1 77 77 MLY HH1 H 1 2.803 0 . 2 . . . A 73 MLY HH1 . 26047 1 960 . 1 1 77 77 MLY HH2 H 1 2.803 0 . 2 . . . A 73 MLY HH2 . 26047 1 961 . 1 1 77 77 MLY N N 15 120.725 0.3 . 1 . . . A 73 MLY N . 26047 1 962 . 1 1 78 78 LEU H H 1 9.981 0.03 . 1 . . . A 74 LEU H . 26047 1 963 . 1 1 78 78 LEU HA H 1 5.476 0.03 . 1 . . . A 74 LEU HA . 26047 1 964 . 1 1 78 78 LEU HB2 H 1 1.799 0.03 . 2 . . . A 74 LEU HB2 . 26047 1 965 . 1 1 78 78 LEU HB3 H 1 1.309 0.03 . 2 . . . A 74 LEU HB3 . 26047 1 966 . 1 1 78 78 LEU HG H 1 1.644 0.03 . 1 . . . A 74 LEU HG . 26047 1 967 . 1 1 78 78 LEU HD11 H 1 0.72 0.03 . 2 . . . A 74 LEU HD11 . 26047 1 968 . 1 1 78 78 LEU HD12 H 1 0.72 0.03 . 2 . . . A 74 LEU HD12 . 26047 1 969 . 1 1 78 78 LEU HD13 H 1 0.72 0.03 . 2 . . . A 74 LEU HD13 . 26047 1 970 . 1 1 78 78 LEU HD21 H 1 0.695 0.03 . 2 . . . A 74 LEU HD21 . 26047 1 971 . 1 1 78 78 LEU HD22 H 1 0.695 0.03 . 2 . . . A 74 LEU HD22 . 26047 1 972 . 1 1 78 78 LEU HD23 H 1 0.695 0.03 . 2 . . . A 74 LEU HD23 . 26047 1 973 . 1 1 78 78 LEU C C 13 176.156 0.3 . 1 . . . A 74 LEU C . 26047 1 974 . 1 1 78 78 LEU CA C 13 53.268 0.3 . 1 . . . A 74 LEU CA . 26047 1 975 . 1 1 78 78 LEU CB C 13 43.748 0.3 . 1 . . . A 74 LEU CB . 26047 1 976 . 1 1 78 78 LEU CG C 13 28.422 0.3 . 1 . . . A 74 LEU CG . 26047 1 977 . 1 1 78 78 LEU CD1 C 13 25.569 0.3 . 2 . . . A 74 LEU CD1 . 26047 1 978 . 1 1 78 78 LEU CD2 C 13 25.588 0.3 . 2 . . . A 74 LEU CD2 . 26047 1 979 . 1 1 78 78 LEU N N 15 130.224 0.3 . 1 . . . A 74 LEU N . 26047 1 980 . 1 1 79 79 THR H H 1 8.884 0.03 . 1 . . . A 75 THR H . 26047 1 981 . 1 1 79 79 THR HA H 1 5.052 0.03 . 1 . . . A 75 THR HA . 26047 1 982 . 1 1 79 79 THR HB H 1 3.978 0.03 . 1 . . . A 75 THR HB . 26047 1 983 . 1 1 79 79 THR HG21 H 1 1.065 0.03 . 1 . . . A 75 THR HG21 . 26047 1 984 . 1 1 79 79 THR HG22 H 1 1.065 0.03 . 1 . . . A 75 THR HG22 . 26047 1 985 . 1 1 79 79 THR HG23 H 1 1.065 0.03 . 1 . . . A 75 THR HG23 . 26047 1 986 . 1 1 79 79 THR C C 13 175.079 0.3 . 1 . . . A 75 THR C . 26047 1 987 . 1 1 79 79 THR CA C 13 63.355 0.3 . 1 . . . A 75 THR CA . 26047 1 988 . 1 1 79 79 THR CB C 13 68.79 0.3 . 1 . . . A 75 THR CB . 26047 1 989 . 1 1 79 79 THR CG2 C 13 20.999 0.3 . 1 . . . A 75 THR CG2 . 26047 1 990 . 1 1 79 79 THR N N 15 121.856 0.3 . 1 . . . A 75 THR N . 26047 1 991 . 1 1 80 80 ILE H H 1 9.864 0.03 . 1 . . . A 76 ILE H . 26047 1 992 . 1 1 80 80 ILE HA H 1 4.68 0.03 . 1 . . . A 76 ILE HA . 26047 1 993 . 1 1 80 80 ILE HB H 1 1.824 0.03 . 1 . . . A 76 ILE HB . 26047 1 994 . 1 1 80 80 ILE HG12 H 1 1.706 0.03 . 2 . . . A 76 ILE HG12 . 26047 1 995 . 1 1 80 80 ILE HG13 H 1 0.85 0.03 . 2 . . . A 76 ILE HG13 . 26047 1 996 . 1 1 80 80 ILE HG21 H 1 1.14 0.03 . 1 . . . A 76 ILE HG21 . 26047 1 997 . 1 1 80 80 ILE HG22 H 1 1.14 0.03 . 1 . . . A 76 ILE HG22 . 26047 1 998 . 1 1 80 80 ILE HG23 H 1 1.14 0.03 . 1 . . . A 76 ILE HG23 . 26047 1 999 . 1 1 80 80 ILE HD11 H 1 0.791 0.03 . 1 . . . A 76 ILE HD11 . 26047 1 1000 . 1 1 80 80 ILE HD12 H 1 0.791 0.03 . 1 . . . A 76 ILE HD12 . 26047 1 1001 . 1 1 80 80 ILE HD13 H 1 0.791 0.03 . 1 . . . A 76 ILE HD13 . 26047 1 1002 . 1 1 80 80 ILE C C 13 173.943 0.3 . 1 . . . A 76 ILE C . 26047 1 1003 . 1 1 80 80 ILE CA C 13 60.898 0.3 . 1 . . . A 76 ILE CA . 26047 1 1004 . 1 1 80 80 ILE CB C 13 41.236 0.3 . 1 . . . A 76 ILE CB . 26047 1 1005 . 1 1 80 80 ILE CG1 C 13 27.818 0.3 . 1 . . . A 76 ILE CG1 . 26047 1 1006 . 1 1 80 80 ILE CG2 C 13 20.585 0.3 . 1 . . . A 76 ILE CG2 . 26047 1 1007 . 1 1 80 80 ILE CD1 C 13 14.772 0.3 . 1 . . . A 76 ILE CD1 . 26047 1 1008 . 1 1 80 80 ILE N N 15 129.859 0.3 . 1 . . . A 76 ILE N . 26047 1 1009 . 1 1 81 81 SER H H 1 8.612 0.03 . 1 . . . A 77 SER H . 26047 1 1010 . 1 1 81 81 SER HA H 1 4.732 0.03 . 1 . . . A 77 SER HA . 26047 1 1011 . 1 1 81 81 SER HB2 H 1 4.032 0.03 . 2 . . . A 77 SER HB2 . 26047 1 1012 . 1 1 81 81 SER HB3 H 1 4.198 0.03 . 2 . . . A 77 SER HB3 . 26047 1 1013 . 1 1 81 81 SER C C 13 173.647 0.3 . 1 . . . A 77 SER C . 26047 1 1014 . 1 1 81 81 SER CA C 13 57.726 0.3 . 1 . . . A 77 SER CA . 26047 1 1015 . 1 1 81 81 SER CB C 13 62.763 0.3 . 1 . . . A 77 SER CB . 26047 1 1016 . 1 1 81 81 SER N N 15 123.243 0.3 . 1 . . . A 77 SER N . 26047 1 1017 . 1 1 82 82 PRO HA H 1 4.488 0.03 . 1 . . . A 78 PRO HA . 26047 1 1018 . 1 1 82 82 PRO HB2 H 1 2.109 0.03 . 2 . . . A 78 PRO HB2 . 26047 1 1019 . 1 1 82 82 PRO HB3 H 1 2.07 0.03 . 2 . . . A 78 PRO HB3 . 26047 1 1020 . 1 1 82 82 PRO HG2 H 1 1.761 0.03 . 2 . . . A 78 PRO HG2 . 26047 1 1021 . 1 1 82 82 PRO HG3 H 1 2.025 0.03 . 2 . . . A 78 PRO HG3 . 26047 1 1022 . 1 1 82 82 PRO HD2 H 1 3.806 0.03 . 2 . . . A 78 PRO HD2 . 26047 1 1023 . 1 1 82 82 PRO HD3 H 1 3.846 0.03 . 2 . . . A 78 PRO HD3 . 26047 1 1024 . 1 1 82 82 PRO C C 13 180.133 0.3 . 1 . . . A 78 PRO C . 26047 1 1025 . 1 1 82 82 PRO CA C 13 65.828 0.3 . 1 . . . A 78 PRO CA . 26047 1 1026 . 1 1 82 82 PRO CB C 13 30.995 0.3 . 1 . . . A 78 PRO CB . 26047 1 1027 . 1 1 82 82 PRO CG C 13 27.748 0.3 . 1 . . . A 78 PRO CG . 26047 1 1028 . 1 1 82 82 PRO CD C 13 49.986 0.3 . 1 . . . A 78 PRO CD . 26047 1 1029 . 1 1 83 83 ASP H H 1 8.799 0.03 . 1 . . . A 79 ASP H . 26047 1 1030 . 1 1 83 83 ASP HA H 1 4.39 0.03 . 1 . . . A 79 ASP HA . 26047 1 1031 . 1 1 83 83 ASP HB2 H 1 2.66 0.03 . 2 . . . A 79 ASP HB2 . 26047 1 1032 . 1 1 83 83 ASP HB3 H 1 2.579 0.03 . 2 . . . A 79 ASP HB3 . 26047 1 1033 . 1 1 83 83 ASP C C 13 176.81 0.3 . 1 . . . A 79 ASP C . 26047 1 1034 . 1 1 83 83 ASP CA C 13 56.159 0.3 . 1 . . . A 79 ASP CA . 26047 1 1035 . 1 1 83 83 ASP CB C 13 39.361 0.3 . 1 . . . A 79 ASP CB . 26047 1 1036 . 1 1 83 83 ASP N N 15 115.934 0.3 . 1 . . . A 79 ASP N . 26047 1 1037 . 1 1 84 84 TYR H H 1 8.116 0.03 . 1 . . . A 80 TYR H . 26047 1 1038 . 1 1 84 84 TYR HA H 1 4.377 0.03 . 1 . . . A 80 TYR HA . 26047 1 1039 . 1 1 84 84 TYR HB2 H 1 2.941 0.03 . 2 . . . A 80 TYR HB2 . 26047 1 1040 . 1 1 84 84 TYR HB3 H 1 2.781 0.03 . 2 . . . A 80 TYR HB3 . 26047 1 1041 . 1 1 84 84 TYR HD1 H 1 6.704 0.03 . 1 . . . A 80 TYR HD1 . 26047 1 1042 . 1 1 84 84 TYR HD2 H 1 6.704 0.03 . 1 . . . A 80 TYR HD2 . 26047 1 1043 . 1 1 84 84 TYR HE1 H 1 6.8 0.03 . 1 . . . A 80 TYR HE1 . 26047 1 1044 . 1 1 84 84 TYR HE2 H 1 6.8 0.03 . 1 . . . A 80 TYR HE2 . 26047 1 1045 . 1 1 84 84 TYR C C 13 173.332 0.3 . 1 . . . A 80 TYR C . 26047 1 1046 . 1 1 84 84 TYR CA C 13 57.597 0.3 . 1 . . . A 80 TYR CA . 26047 1 1047 . 1 1 84 84 TYR CB C 13 38.903 0.3 . 1 . . . A 80 TYR CB . 26047 1 1048 . 1 1 84 84 TYR CD1 C 13 131.302 0.3 . 1 . . . A 80 TYR CD1 . 26047 1 1049 . 1 1 84 84 TYR CD2 C 13 131.302 0.3 . 1 . . . A 80 TYR CD2 . 26047 1 1050 . 1 1 84 84 TYR CE1 C 13 118.564 0.3 . 1 . . . A 80 TYR CE1 . 26047 1 1051 . 1 1 84 84 TYR CE2 C 13 118.564 0.3 . 1 . . . A 80 TYR CE2 . 26047 1 1052 . 1 1 84 84 TYR N N 15 120.969 0.3 . 1 . . . A 80 TYR N . 26047 1 1053 . 1 1 85 85 ALA H H 1 7.801 0.03 . 1 . . . A 81 ALA H . 26047 1 1054 . 1 1 85 85 ALA HA H 1 4.421 0.03 . 1 . . . A 81 ALA HA . 26047 1 1055 . 1 1 85 85 ALA HB1 H 1 1.443 0.03 . 1 . . . A 81 ALA HB1 . 26047 1 1056 . 1 1 85 85 ALA HB2 H 1 1.443 0.03 . 1 . . . A 81 ALA HB2 . 26047 1 1057 . 1 1 85 85 ALA HB3 H 1 1.443 0.03 . 1 . . . A 81 ALA HB3 . 26047 1 1058 . 1 1 85 85 ALA C C 13 175.888 0.3 . 1 . . . A 81 ALA C . 26047 1 1059 . 1 1 85 85 ALA CA C 13 51.701 0.3 . 1 . . . A 81 ALA CA . 26047 1 1060 . 1 1 85 85 ALA CB C 13 19.334 0.3 . 1 . . . A 81 ALA CB . 26047 1 1061 . 1 1 85 85 ALA N N 15 125.669 0.3 . 1 . . . A 81 ALA N . 26047 1 1062 . 1 1 86 86 TYR H H 1 9.321 0.03 . 1 . . . A 82 TYR H . 26047 1 1063 . 1 1 86 86 TYR HA H 1 4.566 0.03 . 1 . . . A 82 TYR HA . 26047 1 1064 . 1 1 86 86 TYR HB2 H 1 3.15 0.03 . 2 . . . A 82 TYR HB2 . 26047 1 1065 . 1 1 86 86 TYR HB3 H 1 2.69 0.03 . 2 . . . A 82 TYR HB3 . 26047 1 1066 . 1 1 86 86 TYR HD1 H 1 7.072 0.03 . 1 . . . A 82 TYR HD1 . 26047 1 1067 . 1 1 86 86 TYR HD2 H 1 7.072 0.03 . 1 . . . A 82 TYR HD2 . 26047 1 1068 . 1 1 86 86 TYR HE1 H 1 6.534 0.03 . 1 . . . A 82 TYR HE1 . 26047 1 1069 . 1 1 86 86 TYR HE2 H 1 6.534 0.03 . 1 . . . A 82 TYR HE2 . 26047 1 1070 . 1 1 86 86 TYR C C 13 176.653 0.3 . 1 . . . A 82 TYR C . 26047 1 1071 . 1 1 86 86 TYR CA C 13 58.865 0.3 . 1 . . . A 82 TYR CA . 26047 1 1072 . 1 1 86 86 TYR CB C 13 37.995 0.3 . 1 . . . A 82 TYR CB . 26047 1 1073 . 1 1 86 86 TYR CD1 C 13 132.93 0.3 . 1 . . . A 82 TYR CD1 . 26047 1 1074 . 1 1 86 86 TYR CD2 C 13 132.93 0.3 . 1 . . . A 82 TYR CD2 . 26047 1 1075 . 1 1 86 86 TYR CE1 C 13 118.015 0.3 . 1 . . . A 82 TYR CE1 . 26047 1 1076 . 1 1 86 86 TYR CE2 C 13 118.015 0.3 . 1 . . . A 82 TYR CE2 . 26047 1 1077 . 1 1 86 86 TYR N N 15 122.08 0.3 . 1 . . . A 82 TYR N . 26047 1 1078 . 1 1 87 87 GLY H H 1 8.535 0.03 . 1 . . . A 83 GLY H . 26047 1 1079 . 1 1 87 87 GLY HA2 H 1 3.898 0.03 . 2 . . . A 83 GLY HA2 . 26047 1 1080 . 1 1 87 87 GLY HA3 H 1 3.7 0.03 . 2 . . . A 83 GLY HA3 . 26047 1 1081 . 1 1 87 87 GLY C C 13 175.214 0.3 . 1 . . . A 83 GLY C . 26047 1 1082 . 1 1 87 87 GLY CA C 13 46.827 0.3 . 1 . . . A 83 GLY CA . 26047 1 1083 . 1 1 87 87 GLY N N 15 108.394 0.3 . 1 . . . A 83 GLY N . 26047 1 1084 . 1 1 88 88 ALA HA H 1 3.273 0.03 . 1 . . . A 84 ALA HA . 26047 1 1085 . 1 1 88 88 ALA HB1 H 1 1.418 0.03 . 1 . . . A 84 ALA HB1 . 26047 1 1086 . 1 1 88 88 ALA HB2 H 1 1.418 0.03 . 1 . . . A 84 ALA HB2 . 26047 1 1087 . 1 1 88 88 ALA HB3 H 1 1.418 0.03 . 1 . . . A 84 ALA HB3 . 26047 1 1088 . 1 1 88 88 ALA C C 13 177.536 0.3 . 1 . . . A 84 ALA C . 26047 1 1089 . 1 1 88 88 ALA CA C 13 53.514 0.3 . 1 . . . A 84 ALA CA . 26047 1 1090 . 1 1 88 88 ALA CB C 13 19.318 0.3 . 1 . . . A 84 ALA CB . 26047 1 1091 . 1 1 89 89 THR H H 1 7.927 0.03 . 1 . . . A 85 THR H . 26047 1 1092 . 1 1 89 89 THR HA H 1 4.038 0.03 . 1 . . . A 85 THR HA . 26047 1 1093 . 1 1 89 89 THR HB H 1 4.241 0.03 . 1 . . . A 85 THR HB . 26047 1 1094 . 1 1 89 89 THR HG21 H 1 1.225 0.03 . 1 . . . A 85 THR HG21 . 26047 1 1095 . 1 1 89 89 THR HG22 H 1 1.225 0.03 . 1 . . . A 85 THR HG22 . 26047 1 1096 . 1 1 89 89 THR HG23 H 1 1.225 0.03 . 1 . . . A 85 THR HG23 . 26047 1 1097 . 1 1 89 89 THR C C 13 177.149 0.3 . 1 . . . A 85 THR C . 26047 1 1098 . 1 1 89 89 THR CA C 13 64.04 0.3 . 1 . . . A 85 THR CA . 26047 1 1099 . 1 1 89 89 THR CB C 13 69.466 0.3 . 1 . . . A 85 THR CB . 26047 1 1100 . 1 1 89 89 THR CG2 C 13 21.845 0.3 . 1 . . . A 85 THR CG2 . 26047 1 1101 . 1 1 89 89 THR N N 15 109.341 0.3 . 1 . . . A 85 THR N . 26047 1 1102 . 1 1 90 90 GLY H H 1 7.341 0.03 . 1 . . . A 86 GLY H . 26047 1 1103 . 1 1 90 90 GLY HA2 H 1 3.7 0.03 . 2 . . . A 86 GLY HA2 . 26047 1 1104 . 1 1 90 90 GLY HA3 H 1 3.476 0.03 . 2 . . . A 86 GLY HA3 . 26047 1 1105 . 1 1 90 90 GLY C C 13 171.567 0.3 . 1 . . . A 86 GLY C . 26047 1 1106 . 1 1 90 90 GLY CA C 13 45.151 0.3 . 1 . . . A 86 GLY CA . 26047 1 1107 . 1 1 90 90 GLY N N 15 106.961 0.3 . 1 . . . A 86 GLY N . 26047 1 1108 . 1 1 91 91 HIS H H 1 8.799 0.03 . 1 . . . A 87 HIS H . 26047 1 1109 . 1 1 91 91 HIS HA H 1 4.967 0.03 . 1 . . . A 87 HIS HA . 26047 1 1110 . 1 1 91 91 HIS HB2 H 1 2.516 0.03 . 2 . . . A 87 HIS HB2 . 26047 1 1111 . 1 1 91 91 HIS HB3 H 1 1.796 0.03 . 2 . . . A 87 HIS HB3 . 26047 1 1112 . 1 1 91 91 HIS HD2 H 1 6.53 0.03 . 1 . . . A 87 HIS HD2 . 26047 1 1113 . 1 1 91 91 HIS C C 13 172.75 0.3 . 1 . . . A 87 HIS C . 26047 1 1114 . 1 1 91 91 HIS CA C 13 53.029 0.3 . 1 . . . A 87 HIS CA . 26047 1 1115 . 1 1 91 91 HIS CB C 13 32.349 0.3 . 1 . . . A 87 HIS CB . 26047 1 1116 . 1 1 91 91 HIS CD2 C 13 118.523 0.3 . 1 . . . A 87 HIS CD2 . 26047 1 1117 . 1 1 91 91 HIS N N 15 121.87 0.3 . 1 . . . A 87 HIS N . 26047 1 1118 . 1 1 92 92 PRO HA H 1 4.132 0.03 . 1 . . . A 88 PRO HA . 26047 1 1119 . 1 1 92 92 PRO HB2 H 1 1.83 0.03 . 2 . . . A 88 PRO HB2 . 26047 1 1120 . 1 1 92 92 PRO HB3 H 1 2.171 0.03 . 2 . . . A 88 PRO HB3 . 26047 1 1121 . 1 1 92 92 PRO HG2 H 1 1.969 0.03 . 2 . . . A 88 PRO HG2 . 26047 1 1122 . 1 1 92 92 PRO HG3 H 1 1.857 0.03 . 2 . . . A 88 PRO HG3 . 26047 1 1123 . 1 1 92 92 PRO HD2 H 1 3.513 0.03 . 2 . . . A 88 PRO HD2 . 26047 1 1124 . 1 1 92 92 PRO HD3 H 1 3.255 0.03 . 2 . . . A 88 PRO HD3 . 26047 1 1125 . 1 1 92 92 PRO C C 13 176.585 0.3 . 1 . . . A 88 PRO C . 26047 1 1126 . 1 1 92 92 PRO CA C 13 65.123 0.3 . 1 . . . A 88 PRO CA . 26047 1 1127 . 1 1 92 92 PRO CB C 13 31.851 0.3 . 1 . . . A 88 PRO CB . 26047 1 1128 . 1 1 92 92 PRO CG C 13 26.745 0.3 . 1 . . . A 88 PRO CG . 26047 1 1129 . 1 1 92 92 PRO CD C 13 51.079 0.3 . 1 . . . A 88 PRO CD . 26047 1 1130 . 1 1 93 93 GLY H H 1 8.571 0.03 . 1 . . . A 89 GLY H . 26047 1 1131 . 1 1 93 93 GLY HA2 H 1 4.227 0.03 . 2 . . . A 89 GLY HA2 . 26047 1 1132 . 1 1 93 93 GLY HA3 H 1 3.599 0.03 . 2 . . . A 89 GLY HA3 . 26047 1 1133 . 1 1 93 93 GLY C C 13 174.03 0.3 . 1 . . . A 89 GLY C . 26047 1 1134 . 1 1 93 93 GLY CA C 13 45.251 0.3 . 1 . . . A 89 GLY CA . 26047 1 1135 . 1 1 93 93 GLY N N 15 113.445 0.3 . 1 . . . A 89 GLY N . 26047 1 1136 . 1 1 94 94 ILE H H 1 8.103 0.03 . 1 . . . A 90 ILE H . 26047 1 1137 . 1 1 94 94 ILE HA H 1 4.252 0.03 . 1 . . . A 90 ILE HA . 26047 1 1138 . 1 1 94 94 ILE HB H 1 1.399 0.03 . 1 . . . A 90 ILE HB . 26047 1 1139 . 1 1 94 94 ILE HG12 H 1 1.289 0.03 . 2 . . . A 90 ILE HG12 . 26047 1 1140 . 1 1 94 94 ILE HG13 H 1 0.947 0.03 . 2 . . . A 90 ILE HG13 . 26047 1 1141 . 1 1 94 94 ILE HG21 H 1 0.838 0.03 . 1 . . . A 90 ILE HG21 . 26047 1 1142 . 1 1 94 94 ILE HG22 H 1 0.838 0.03 . 1 . . . A 90 ILE HG22 . 26047 1 1143 . 1 1 94 94 ILE HG23 H 1 0.838 0.03 . 1 . . . A 90 ILE HG23 . 26047 1 1144 . 1 1 94 94 ILE HD11 H 1 0.651 0.03 . 1 . . . A 90 ILE HD11 . 26047 1 1145 . 1 1 94 94 ILE HD12 H 1 0.651 0.03 . 1 . . . A 90 ILE HD12 . 26047 1 1146 . 1 1 94 94 ILE HD13 H 1 0.651 0.03 . 1 . . . A 90 ILE HD13 . 26047 1 1147 . 1 1 94 94 ILE C C 13 174.403 0.3 . 1 . . . A 90 ILE C . 26047 1 1148 . 1 1 94 94 ILE CA C 13 62.855 0.3 . 1 . . . A 90 ILE CA . 26047 1 1149 . 1 1 94 94 ILE CB C 13 41.565 0.3 . 1 . . . A 90 ILE CB . 26047 1 1150 . 1 1 94 94 ILE CG1 C 13 27.115 0.3 . 1 . . . A 90 ILE CG1 . 26047 1 1151 . 1 1 94 94 ILE CG2 C 13 17.627 0.3 . 1 . . . A 90 ILE CG2 . 26047 1 1152 . 1 1 94 94 ILE CD1 C 13 12.56 0.3 . 1 . . . A 90 ILE CD1 . 26047 1 1153 . 1 1 94 94 ILE N N 15 118.128 0.3 . 1 . . . A 90 ILE N . 26047 1 1154 . 1 1 95 95 ILE H H 1 8.241 0.03 . 1 . . . A 91 ILE H . 26047 1 1155 . 1 1 95 95 ILE HA H 1 4.506 0.03 . 1 . . . A 91 ILE HA . 26047 1 1156 . 1 1 95 95 ILE HB H 1 1.288 0.03 . 1 . . . A 91 ILE HB . 26047 1 1157 . 1 1 95 95 ILE HG12 H 1 0.726 0.03 . 2 . . . A 91 ILE HG12 . 26047 1 1158 . 1 1 95 95 ILE HG13 H 1 0.349 0.03 . 2 . . . A 91 ILE HG13 . 26047 1 1159 . 1 1 95 95 ILE HG21 H 1 0.869 0.03 . 1 . . . A 91 ILE HG21 . 26047 1 1160 . 1 1 95 95 ILE HG22 H 1 0.869 0.03 . 1 . . . A 91 ILE HG22 . 26047 1 1161 . 1 1 95 95 ILE HG23 H 1 0.869 0.03 . 1 . . . A 91 ILE HG23 . 26047 1 1162 . 1 1 95 95 ILE HD11 H 1 -0.187 0.03 . 1 . . . A 91 ILE HD11 . 26047 1 1163 . 1 1 95 95 ILE HD12 H 1 -0.187 0.03 . 1 . . . A 91 ILE HD12 . 26047 1 1164 . 1 1 95 95 ILE HD13 H 1 -0.187 0.03 . 1 . . . A 91 ILE HD13 . 26047 1 1165 . 1 1 95 95 ILE C C 13 174.345 0.3 . 1 . . . A 91 ILE C . 26047 1 1166 . 1 1 95 95 ILE CA C 13 56.335 0.3 . 1 . . . A 91 ILE CA . 26047 1 1167 . 1 1 95 95 ILE CB C 13 40.719 0.3 . 1 . . . A 91 ILE CB . 26047 1 1168 . 1 1 95 95 ILE CG1 C 13 26.214 0.3 . 1 . . . A 91 ILE CG1 . 26047 1 1169 . 1 1 95 95 ILE CG2 C 13 17.719 0.3 . 1 . . . A 91 ILE CG2 . 26047 1 1170 . 1 1 95 95 ILE CD1 C 13 11.665 0.3 . 1 . . . A 91 ILE CD1 . 26047 1 1171 . 1 1 95 95 ILE N N 15 119.444 0.3 . 1 . . . A 91 ILE N . 26047 1 1172 . 1 1 96 96 PRO HA H 1 4.717 0.03 . 1 . . . A 92 PRO HA . 26047 1 1173 . 1 1 96 96 PRO HB2 H 1 2.368 0.03 . 2 . . . A 92 PRO HB2 . 26047 1 1174 . 1 1 96 96 PRO HB3 H 1 1.923 0.03 . 2 . . . A 92 PRO HB3 . 26047 1 1175 . 1 1 96 96 PRO HG2 H 1 1.943 0.03 . 1 . . . A 92 PRO HG2 . 26047 1 1176 . 1 1 96 96 PRO HG3 H 1 1.943 0.03 . 1 . . . A 92 PRO HG3 . 26047 1 1177 . 1 1 96 96 PRO HD2 H 1 3.751 0.03 . 2 . . . A 92 PRO HD2 . 26047 1 1178 . 1 1 96 96 PRO HD3 H 1 3.365 0.03 . 2 . . . A 92 PRO HD3 . 26047 1 1179 . 1 1 96 96 PRO CB C 13 31.011 0.3 . 1 . . . A 92 PRO CB . 26047 1 1180 . 1 1 96 96 PRO CG C 13 26.675 0.3 . 1 . . . A 92 PRO CG . 26047 1 1181 . 1 1 96 96 PRO CD C 13 51.734 0.3 . 1 . . . A 92 PRO CD . 26047 1 1182 . 1 1 97 97 PRO HA H 1 3.617 0.03 . 1 . . . A 93 PRO HA . 26047 1 1183 . 1 1 97 97 PRO HB2 H 1 2.21 0.03 . 2 . . . A 93 PRO HB2 . 26047 1 1184 . 1 1 97 97 PRO HB3 H 1 1.553 0.03 . 2 . . . A 93 PRO HB3 . 26047 1 1185 . 1 1 97 97 PRO HG2 H 1 2.019 0.03 . 2 . . . A 93 PRO HG2 . 26047 1 1186 . 1 1 97 97 PRO HG3 H 1 1.706 0.03 . 2 . . . A 93 PRO HG3 . 26047 1 1187 . 1 1 97 97 PRO HD2 H 1 3.455 0.03 . 2 . . . A 93 PRO HD2 . 26047 1 1188 . 1 1 97 97 PRO HD3 H 1 3.76 0.03 . 2 . . . A 93 PRO HD3 . 26047 1 1189 . 1 1 97 97 PRO C C 13 175.714 0.3 . 1 . . . A 93 PRO C . 26047 1 1190 . 1 1 97 97 PRO CA C 13 63.618 0.3 . 1 . . . A 93 PRO CA . 26047 1 1191 . 1 1 97 97 PRO CB C 13 33.171 0.3 . 1 . . . A 93 PRO CB . 26047 1 1192 . 1 1 97 97 PRO CG C 13 28.045 0.3 . 1 . . . A 93 PRO CG . 26047 1 1193 . 1 1 97 97 PRO CD C 13 50.829 0.3 . 1 . . . A 93 PRO CD . 26047 1 1194 . 1 1 98 98 HIS H H 1 7.934 0.03 . 1 . . . A 94 HIS H . 26047 1 1195 . 1 1 98 98 HIS HA H 1 3.804 0.03 . 1 . . . A 94 HIS HA . 26047 1 1196 . 1 1 98 98 HIS HB2 H 1 3.21 0.03 . 2 . . . A 94 HIS HB2 . 26047 1 1197 . 1 1 98 98 HIS HB3 H 1 3.167 0.03 . 2 . . . A 94 HIS HB3 . 26047 1 1198 . 1 1 98 98 HIS HD2 H 1 6.917 0.03 . 1 . . . A 94 HIS HD2 . 26047 1 1199 . 1 1 98 98 HIS HE1 H 1 7.811 0.03 . 1 . . . A 94 HIS HE1 . 26047 1 1200 . 1 1 98 98 HIS C C 13 173.821 0.3 . 1 . . . A 94 HIS C . 26047 1 1201 . 1 1 98 98 HIS CA C 13 57.145 0.3 . 1 . . . A 94 HIS CA . 26047 1 1202 . 1 1 98 98 HIS CB C 13 27.977 0.3 . 1 . . . A 94 HIS CB . 26047 1 1203 . 1 1 98 98 HIS CD2 C 13 119.944 0.3 . 1 . . . A 94 HIS CD2 . 26047 1 1204 . 1 1 98 98 HIS CE1 C 13 138.496 0.3 . 1 . . . A 94 HIS CE1 . 26047 1 1205 . 1 1 98 98 HIS N N 15 115.851 0.3 . 1 . . . A 94 HIS N . 26047 1 1206 . 1 1 99 99 ALA H H 1 7.706 0.03 . 1 . . . A 95 ALA H . 26047 1 1207 . 1 1 99 99 ALA HA H 1 4.459 0.03 . 1 . . . A 95 ALA HA . 26047 1 1208 . 1 1 99 99 ALA HB1 H 1 1.259 0.03 . 1 . . . A 95 ALA HB1 . 26047 1 1209 . 1 1 99 99 ALA HB2 H 1 1.259 0.03 . 1 . . . A 95 ALA HB2 . 26047 1 1210 . 1 1 99 99 ALA HB3 H 1 1.259 0.03 . 1 . . . A 95 ALA HB3 . 26047 1 1211 . 1 1 99 99 ALA C C 13 177.246 0.3 . 1 . . . A 95 ALA C . 26047 1 1212 . 1 1 99 99 ALA CA C 13 52.728 0.3 . 1 . . . A 95 ALA CA . 26047 1 1213 . 1 1 99 99 ALA CB C 13 20.567 0.3 . 1 . . . A 95 ALA CB . 26047 1 1214 . 1 1 99 99 ALA N N 15 122.072 0.3 . 1 . . . A 95 ALA N . 26047 1 1215 . 1 1 100 100 THR H H 1 8.448 0.03 . 1 . . . A 96 THR H . 26047 1 1216 . 1 1 100 100 THR HA H 1 4.65 0.03 . 1 . . . A 96 THR HA . 26047 1 1217 . 1 1 100 100 THR HB H 1 3.948 0.03 . 1 . . . A 96 THR HB . 26047 1 1218 . 1 1 100 100 THR HG21 H 1 1.035 0.03 . 1 . . . A 96 THR HG21 . 26047 1 1219 . 1 1 100 100 THR HG22 H 1 1.035 0.03 . 1 . . . A 96 THR HG22 . 26047 1 1220 . 1 1 100 100 THR HG23 H 1 1.035 0.03 . 1 . . . A 96 THR HG23 . 26047 1 1221 . 1 1 100 100 THR C C 13 173.818 0.3 . 1 . . . A 96 THR C . 26047 1 1222 . 1 1 100 100 THR CA C 13 63.778 0.3 . 1 . . . A 96 THR CA . 26047 1 1223 . 1 1 100 100 THR CB C 13 69.588 0.3 . 1 . . . A 96 THR CB . 26047 1 1224 . 1 1 100 100 THR CG2 C 13 21.08 0.3 . 1 . . . A 96 THR CG2 . 26047 1 1225 . 1 1 100 100 THR N N 15 122.875 0.3 . 1 . . . A 96 THR N . 26047 1 1226 . 1 1 101 101 LEU H H 1 8.725 0.03 . 1 . . . A 97 LEU H . 26047 1 1227 . 1 1 101 101 LEU HA H 1 5.11 0.03 . 1 . . . A 97 LEU HA . 26047 1 1228 . 1 1 101 101 LEU HB2 H 1 1.774 0.03 . 2 . . . A 97 LEU HB2 . 26047 1 1229 . 1 1 101 101 LEU HB3 H 1 1.53 0.03 . 2 . . . A 97 LEU HB3 . 26047 1 1230 . 1 1 101 101 LEU HG H 1 1.838 0.03 . 1 . . . A 97 LEU HG . 26047 1 1231 . 1 1 101 101 LEU HD11 H 1 0.824 0.03 . 2 . . . A 97 LEU HD11 . 26047 1 1232 . 1 1 101 101 LEU HD12 H 1 0.824 0.03 . 2 . . . A 97 LEU HD12 . 26047 1 1233 . 1 1 101 101 LEU HD13 H 1 0.824 0.03 . 2 . . . A 97 LEU HD13 . 26047 1 1234 . 1 1 101 101 LEU HD21 H 1 1.216 0.03 . 2 . . . A 97 LEU HD21 . 26047 1 1235 . 1 1 101 101 LEU HD22 H 1 1.216 0.03 . 2 . . . A 97 LEU HD22 . 26047 1 1236 . 1 1 101 101 LEU HD23 H 1 1.216 0.03 . 2 . . . A 97 LEU HD23 . 26047 1 1237 . 1 1 101 101 LEU C C 13 175.041 0.3 . 1 . . . A 97 LEU C . 26047 1 1238 . 1 1 101 101 LEU CA C 13 52.832 0.3 . 1 . . . A 97 LEU CA . 26047 1 1239 . 1 1 101 101 LEU CB C 13 46.391 0.3 . 1 . . . A 97 LEU CB . 26047 1 1240 . 1 1 101 101 LEU CG C 13 27.14 0.3 . 1 . . . A 97 LEU CG . 26047 1 1241 . 1 1 101 101 LEU CD1 C 13 23.63 0.3 . 2 . . . A 97 LEU CD1 . 26047 1 1242 . 1 1 101 101 LEU CD2 C 13 27.445 0.3 . 2 . . . A 97 LEU CD2 . 26047 1 1243 . 1 1 101 101 LEU N N 15 124.809 0.3 . 1 . . . A 97 LEU N . 26047 1 1244 . 1 1 102 102 VAL H H 1 8.692 0.03 . 1 . . . A 98 VAL H . 26047 1 1245 . 1 1 102 102 VAL HA H 1 5.215 0.03 . 1 . . . A 98 VAL HA . 26047 1 1246 . 1 1 102 102 VAL HB H 1 1.746 0.03 . 1 . . . A 98 VAL HB . 26047 1 1247 . 1 1 102 102 VAL HG11 H 1 0.892 0.03 . 2 . . . A 98 VAL HG11 . 26047 1 1248 . 1 1 102 102 VAL HG12 H 1 0.892 0.03 . 2 . . . A 98 VAL HG12 . 26047 1 1249 . 1 1 102 102 VAL HG13 H 1 0.892 0.03 . 2 . . . A 98 VAL HG13 . 26047 1 1250 . 1 1 102 102 VAL HG21 H 1 0.803 0.03 . 2 . . . A 98 VAL HG21 . 26047 1 1251 . 1 1 102 102 VAL HG22 H 1 0.803 0.03 . 2 . . . A 98 VAL HG22 . 26047 1 1252 . 1 1 102 102 VAL HG23 H 1 0.803 0.03 . 2 . . . A 98 VAL HG23 . 26047 1 1253 . 1 1 102 102 VAL C C 13 175.15 0.3 . 1 . . . A 98 VAL C . 26047 1 1254 . 1 1 102 102 VAL CA C 13 60.662 0.3 . 1 . . . A 98 VAL CA . 26047 1 1255 . 1 1 102 102 VAL CB C 13 34.355 0.3 . 1 . . . A 98 VAL CB . 26047 1 1256 . 1 1 102 102 VAL CG1 C 13 20.921 0.3 . 2 . . . A 98 VAL CG1 . 26047 1 1257 . 1 1 102 102 VAL CG2 C 13 21.617 0.3 . 2 . . . A 98 VAL CG2 . 26047 1 1258 . 1 1 102 102 VAL N N 15 121.081 0.3 . 1 . . . A 98 VAL N . 26047 1 1259 . 1 1 103 103 PHE H H 1 9.724 0.03 . 1 . . . A 99 PHE H . 26047 1 1260 . 1 1 103 103 PHE HA H 1 5.754 0.03 . 1 . . . A 99 PHE HA . 26047 1 1261 . 1 1 103 103 PHE HB2 H 1 2.643 0.03 . 2 . . . A 99 PHE HB2 . 26047 1 1262 . 1 1 103 103 PHE HB3 H 1 2.771 0.03 . 2 . . . A 99 PHE HB3 . 26047 1 1263 . 1 1 103 103 PHE HD1 H 1 7 0.03 . 1 . . . A 99 PHE HD1 . 26047 1 1264 . 1 1 103 103 PHE HD2 H 1 7 0.03 . 1 . . . A 99 PHE HD2 . 26047 1 1265 . 1 1 103 103 PHE HE1 H 1 7.154 0.03 . 1 . . . A 99 PHE HE1 . 26047 1 1266 . 1 1 103 103 PHE HE2 H 1 7.154 0.03 . 1 . . . A 99 PHE HE2 . 26047 1 1267 . 1 1 103 103 PHE HZ H 1 7.578 0.03 . 1 . . . A 99 PHE HZ . 26047 1 1268 . 1 1 103 103 PHE C C 13 174.328 0.3 . 1 . . . A 99 PHE C . 26047 1 1269 . 1 1 103 103 PHE CA C 13 55.196 0.3 . 1 . . . A 99 PHE CA . 26047 1 1270 . 1 1 103 103 PHE CB C 13 43.396 0.3 . 1 . . . A 99 PHE CB . 26047 1 1271 . 1 1 103 103 PHE CD1 C 13 131.359 0.3 . 1 . . . A 99 PHE CD1 . 26047 1 1272 . 1 1 103 103 PHE CD2 C 13 131.359 0.3 . 1 . . . A 99 PHE CD2 . 26047 1 1273 . 1 1 103 103 PHE CE1 C 13 132.038 0.3 . 1 . . . A 99 PHE CE1 . 26047 1 1274 . 1 1 103 103 PHE CE2 C 13 132.038 0.3 . 1 . . . A 99 PHE CE2 . 26047 1 1275 . 1 1 103 103 PHE CZ C 13 130.597 0.3 . 1 . . . A 99 PHE CZ . 26047 1 1276 . 1 1 103 103 PHE N N 15 123.638 0.3 . 1 . . . A 99 PHE N . 26047 1 1277 . 1 1 104 104 ASP H H 1 8.775 0.03 . 1 . . . A 100 ASP H . 26047 1 1278 . 1 1 104 104 ASP HA H 1 5.164 0.03 . 1 . . . A 100 ASP HA . 26047 1 1279 . 1 1 104 104 ASP HB2 H 1 2.8 0.03 . 2 . . . A 100 ASP HB2 . 26047 1 1280 . 1 1 104 104 ASP HB3 H 1 2.452 0.03 . 2 . . . A 100 ASP HB3 . 26047 1 1281 . 1 1 104 104 ASP C C 13 176.946 0.3 . 1 . . . A 100 ASP C . 26047 1 1282 . 1 1 104 104 ASP CA C 13 52.778 0.3 . 1 . . . A 100 ASP CA . 26047 1 1283 . 1 1 104 104 ASP CB C 13 42.32 0.3 . 1 . . . A 100 ASP CB . 26047 1 1284 . 1 1 104 104 ASP N N 15 124.358 0.3 . 1 . . . A 100 ASP N . 26047 1 1285 . 1 1 105 105 VAL H H 1 9.513 0.03 . 1 . . . A 101 VAL H . 26047 1 1286 . 1 1 105 105 VAL HA H 1 5.057 0.03 . 1 . . . A 101 VAL HA . 26047 1 1287 . 1 1 105 105 VAL HB H 1 1.778 0.03 . 1 . . . A 101 VAL HB . 26047 1 1288 . 1 1 105 105 VAL HG11 H 1 0.702 0.03 . 2 . . . A 101 VAL HG11 . 26047 1 1289 . 1 1 105 105 VAL HG12 H 1 0.702 0.03 . 2 . . . A 101 VAL HG12 . 26047 1 1290 . 1 1 105 105 VAL HG13 H 1 0.702 0.03 . 2 . . . A 101 VAL HG13 . 26047 1 1291 . 1 1 105 105 VAL HG21 H 1 0.743 0.03 . 2 . . . A 101 VAL HG21 . 26047 1 1292 . 1 1 105 105 VAL HG22 H 1 0.743 0.03 . 2 . . . A 101 VAL HG22 . 26047 1 1293 . 1 1 105 105 VAL HG23 H 1 0.743 0.03 . 2 . . . A 101 VAL HG23 . 26047 1 1294 . 1 1 105 105 VAL C C 13 172.62 0.3 . 1 . . . A 101 VAL C . 26047 1 1295 . 1 1 105 105 VAL CA C 13 61.041 0.3 . 1 . . . A 101 VAL CA . 26047 1 1296 . 1 1 105 105 VAL CB C 13 35.481 0.3 . 1 . . . A 101 VAL CB . 26047 1 1297 . 1 1 105 105 VAL CG1 C 13 22.641 0.3 . 2 . . . A 101 VAL CG1 . 26047 1 1298 . 1 1 105 105 VAL CG2 C 13 21.096 0.3 . 2 . . . A 101 VAL CG2 . 26047 1 1299 . 1 1 105 105 VAL N N 15 126.428 0.3 . 1 . . . A 101 VAL N . 26047 1 1300 . 1 1 106 106 GLU H H 1 9.285 0.03 . 1 . . . A 102 GLU H . 26047 1 1301 . 1 1 106 106 GLU HA H 1 5.392 0.03 . 1 . . . A 102 GLU HA . 26047 1 1302 . 1 1 106 106 GLU HB2 H 1 2.037 0.03 . 2 . . . A 102 GLU HB2 . 26047 1 1303 . 1 1 106 106 GLU HB3 H 1 1.589 0.03 . 2 . . . A 102 GLU HB3 . 26047 1 1304 . 1 1 106 106 GLU HG2 H 1 1.852 0.03 . 2 . . . A 102 GLU HG2 . 26047 1 1305 . 1 1 106 106 GLU HG3 H 1 1.969 0.03 . 2 . . . A 102 GLU HG3 . 26047 1 1306 . 1 1 106 106 GLU C C 13 175.174 0.3 . 1 . . . A 102 GLU C . 26047 1 1307 . 1 1 106 106 GLU CA C 13 53.979 0.3 . 1 . . . A 102 GLU CA . 26047 1 1308 . 1 1 106 106 GLU CB C 13 33.852 0.3 . 1 . . . A 102 GLU CB . 26047 1 1309 . 1 1 106 106 GLU CG C 13 35.852 0.3 . 1 . . . A 102 GLU CG . 26047 1 1310 . 1 1 106 106 GLU N N 15 128.393 0.3 . 1 . . . A 102 GLU N . 26047 1 1311 . 1 1 107 107 LEU H H 1 8.613 0.03 . 1 . . . A 103 LEU H . 26047 1 1312 . 1 1 107 107 LEU HA H 1 4.671 0.03 . 1 . . . A 103 LEU HA . 26047 1 1313 . 1 1 107 107 LEU HB2 H 1 2.257 0.03 . 2 . . . A 103 LEU HB2 . 26047 1 1314 . 1 1 107 107 LEU HB3 H 1 1.043 0.03 . 2 . . . A 103 LEU HB3 . 26047 1 1315 . 1 1 107 107 LEU HG H 1 1.318 0.03 . 1 . . . A 103 LEU HG . 26047 1 1316 . 1 1 107 107 LEU HD11 H 1 0.635 0.03 . 2 . . . A 103 LEU HD11 . 26047 1 1317 . 1 1 107 107 LEU HD12 H 1 0.635 0.03 . 2 . . . A 103 LEU HD12 . 26047 1 1318 . 1 1 107 107 LEU HD13 H 1 0.635 0.03 . 2 . . . A 103 LEU HD13 . 26047 1 1319 . 1 1 107 107 LEU HD21 H 1 0.773 0.03 . 2 . . . A 103 LEU HD21 . 26047 1 1320 . 1 1 107 107 LEU HD22 H 1 0.773 0.03 . 2 . . . A 103 LEU HD22 . 26047 1 1321 . 1 1 107 107 LEU HD23 H 1 0.773 0.03 . 2 . . . A 103 LEU HD23 . 26047 1 1322 . 1 1 107 107 LEU C C 13 174.266 0.3 . 1 . . . A 103 LEU C . 26047 1 1323 . 1 1 107 107 LEU CA C 13 54.356 0.3 . 1 . . . A 103 LEU CA . 26047 1 1324 . 1 1 107 107 LEU CB C 13 41.465 0.3 . 1 . . . A 103 LEU CB . 26047 1 1325 . 1 1 107 107 LEU CG C 13 28.413 0.3 . 1 . . . A 103 LEU CG . 26047 1 1326 . 1 1 107 107 LEU CD1 C 13 25.763 0.3 . 2 . . . A 103 LEU CD1 . 26047 1 1327 . 1 1 107 107 LEU CD2 C 13 23.168 0.3 . 2 . . . A 103 LEU CD2 . 26047 1 1328 . 1 1 107 107 LEU N N 15 128.29 0.3 . 1 . . . A 103 LEU N . 26047 1 1329 . 1 1 108 108 LEU H H 1 9.019 0.03 . 1 . . . A 104 LEU H . 26047 1 1330 . 1 1 108 108 LEU HA H 1 4.194 0.03 . 1 . . . A 104 LEU HA . 26047 1 1331 . 1 1 108 108 LEU HB2 H 1 1.419 0.03 . 2 . . . A 104 LEU HB2 . 26047 1 1332 . 1 1 108 108 LEU HB3 H 1 1.466 0.03 . 2 . . . A 104 LEU HB3 . 26047 1 1333 . 1 1 108 108 LEU HG H 1 1.703 0.03 . 1 . . . A 104 LEU HG . 26047 1 1334 . 1 1 108 108 LEU HD11 H 1 0.806 0.03 . 2 . . . A 104 LEU HD11 . 26047 1 1335 . 1 1 108 108 LEU HD12 H 1 0.806 0.03 . 2 . . . A 104 LEU HD12 . 26047 1 1336 . 1 1 108 108 LEU HD13 H 1 0.806 0.03 . 2 . . . A 104 LEU HD13 . 26047 1 1337 . 1 1 108 108 LEU HD21 H 1 0.673 0.03 . 2 . . . A 104 LEU HD21 . 26047 1 1338 . 1 1 108 108 LEU HD22 H 1 0.673 0.03 . 2 . . . A 104 LEU HD22 . 26047 1 1339 . 1 1 108 108 LEU HD23 H 1 0.673 0.03 . 2 . . . A 104 LEU HD23 . 26047 1 1340 . 1 1 108 108 LEU C C 13 177.876 0.3 . 1 . . . A 104 LEU C . 26047 1 1341 . 1 1 108 108 LEU CA C 13 57.212 0.3 . 1 . . . A 104 LEU CA . 26047 1 1342 . 1 1 108 108 LEU CB C 13 42.958 0.3 . 1 . . . A 104 LEU CB . 26047 1 1343 . 1 1 108 108 LEU CG C 13 27.17 0.3 . 1 . . . A 104 LEU CG . 26047 1 1344 . 1 1 108 108 LEU CD1 C 13 22.479 0.3 . 2 . . . A 104 LEU CD1 . 26047 1 1345 . 1 1 108 108 LEU CD2 C 13 26.191 0.3 . 2 . . . A 104 LEU CD2 . 26047 1 1346 . 1 1 108 108 LEU N N 15 128.594 0.3 . 1 . . . A 104 LEU N . 26047 1 1347 . 1 1 109 109 MLY C C 13 172.233 0.3 . 1 . . . A 105 MLY C . 26047 1 1348 . 1 1 109 109 MLY CA C 13 55.4 0.3 . 1 . . . A 105 MLY CA . 26047 1 1349 . 1 1 109 109 MLY CB C 13 35.49 0.3 . 1 . . . A 105 MLY CB . 26047 1 1350 . 1 1 109 109 MLY CD C 13 26.656 0.3 . 1 . . . A 105 MLY CD . 26047 1 1351 . 1 1 109 109 MLY CE C 13 59.861 0.3 . 1 . . . A 105 MLY CE . 26047 1 1352 . 1 1 109 109 MLY CG C 13 24.037 0.3 . 1 . . . A 105 MLY CG . 26047 1 1353 . 1 1 109 109 MLY H H 1 7.634 0.03 . 1 . . . A 105 MLY H . 26047 1 1354 . 1 1 109 109 MLY HA H 1 4.306 0.03 . 1 . . . A 105 MLY HA . 26047 1 1355 . 1 1 109 109 MLY HB2 H 1 1.697 0.03 . 1 . . . A 105 MLY HB2 . 26047 1 1356 . 1 1 109 109 MLY HB3 H 1 1.697 0.03 . 1 . . . A 105 MLY HB3 . 26047 1 1357 . 1 1 109 109 MLY HD2 H 1 1.605 0.03 . 2 . . . A 105 MLY HD2 . 26047 1 1358 . 1 1 109 109 MLY HD3 H 1 1.695 0.03 . 2 . . . A 105 MLY HD3 . 26047 1 1359 . 1 1 109 109 MLY HE2 H 1 3.024 0.03 . 1 . . . A 105 MLY HE2 . 26047 1 1360 . 1 1 109 109 MLY HE3 H 1 3.024 0.03 . 1 . . . A 105 MLY HE3 . 26047 1 1361 . 1 1 109 109 MLY HG2 H 1 1.188 0.03 . 2 . . . A 105 MLY HG2 . 26047 1 1362 . 1 1 109 109 MLY HG3 H 1 1.235 0.03 . 2 . . . A 105 MLY HG3 . 26047 1 1363 . 1 1 109 109 MLY HH1 H 1 2.827 0 . 2 . . . A 105 MLY HH1 . 26047 1 1364 . 1 1 109 109 MLY HH2 H 1 2.827 0 . 2 . . . A 105 MLY HH2 . 26047 1 1365 . 1 1 109 109 MLY N N 15 112.442 0.3 . 1 . . . A 105 MLY N . 26047 1 1366 . 1 1 110 110 LEU H H 1 8.204 0.03 . 1 . . . A 106 LEU H . 26047 1 1367 . 1 1 110 110 LEU HA H 1 5.203 0.03 . 1 . . . A 106 LEU HA . 26047 1 1368 . 1 1 110 110 LEU HB2 H 1 1.535 0.03 . 2 . . . A 106 LEU HB2 . 26047 1 1369 . 1 1 110 110 LEU HB3 H 1 1.161 0.03 . 2 . . . A 106 LEU HB3 . 26047 1 1370 . 1 1 110 110 LEU HG H 1 1.335 0.03 . 1 . . . A 106 LEU HG . 26047 1 1371 . 1 1 110 110 LEU HD11 H 1 0.828 0.03 . 2 . . . A 106 LEU HD11 . 26047 1 1372 . 1 1 110 110 LEU HD12 H 1 0.828 0.03 . 2 . . . A 106 LEU HD12 . 26047 1 1373 . 1 1 110 110 LEU HD13 H 1 0.828 0.03 . 2 . . . A 106 LEU HD13 . 26047 1 1374 . 1 1 110 110 LEU HD21 H 1 0.632 0.03 . 2 . . . A 106 LEU HD21 . 26047 1 1375 . 1 1 110 110 LEU HD22 H 1 0.632 0.03 . 2 . . . A 106 LEU HD22 . 26047 1 1376 . 1 1 110 110 LEU HD23 H 1 0.632 0.03 . 2 . . . A 106 LEU HD23 . 26047 1 1377 . 1 1 110 110 LEU C C 13 175.953 0.3 . 1 . . . A 106 LEU C . 26047 1 1378 . 1 1 110 110 LEU CA C 13 53.193 0.3 . 1 . . . A 106 LEU CA . 26047 1 1379 . 1 1 110 110 LEU CB C 13 44.145 0.3 . 1 . . . A 106 LEU CB . 26047 1 1380 . 1 1 110 110 LEU CG C 13 26.737 0.3 . 1 . . . A 106 LEU CG . 26047 1 1381 . 1 1 110 110 LEU CD1 C 13 25.598 0.3 . 2 . . . A 106 LEU CD1 . 26047 1 1382 . 1 1 110 110 LEU CD2 C 13 26.051 0.3 . 2 . . . A 106 LEU CD2 . 26047 1 1383 . 1 1 110 110 LEU N N 15 120.833 0.3 . 1 . . . A 106 LEU N . 26047 1 1384 . 1 1 111 111 GLU H H 1 8.981 0.03 . 1 . . . A 107 GLU H . 26047 1 1385 . 1 1 111 111 GLU HA H 1 4.28 0.03 . 1 . . . A 107 GLU HA . 26047 1 1386 . 1 1 111 111 GLU HB2 H 1 1.654 0.03 . 2 . . . A 107 GLU HB2 . 26047 1 1387 . 1 1 111 111 GLU HB3 H 1 1.964 0.03 . 2 . . . A 107 GLU HB3 . 26047 1 1388 . 1 1 111 111 GLU HG2 H 1 1.869 0.03 . 2 . . . A 107 GLU HG2 . 26047 1 1389 . 1 1 111 111 GLU HG3 H 1 1.987 0.03 . 2 . . . A 107 GLU HG3 . 26047 1 1390 . 1 1 111 111 GLU C C 13 180.642 0.3 . 1 . . . A 107 GLU C . 26047 1 1391 . 1 1 111 111 GLU CA C 13 56.567 0.3 . 1 . . . A 107 GLU CA . 26047 1 1392 . 1 1 111 111 GLU CB C 13 32.584 0.3 . 1 . . . A 107 GLU CB . 26047 1 1393 . 1 1 111 111 GLU CG C 13 36.794 0.3 . 1 . . . A 107 GLU CG . 26047 1 1394 . 1 1 111 111 GLU N N 15 126.991 0.3 . 1 . . . A 107 GLU N . 26047 1 stop_ save_