data_25786 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25786 _Entry.Title ; Solution structure of holo ArCP from yersiniabactin synthetase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-08-31 _Entry.Accession_date 2015-08-31 _Entry.Last_release_date 2016-07-28 _Entry.Original_release_date 2016-07-28 _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 Andrew Goodrich . C. . . 25786 2 Bradley Harden . J. . . 25786 3 Dominique Frueh . P. . . 25786 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' . 25786 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Carrier Protein' . 25786 Holo . 25786 'Nonribosomal Peptide Synthetase' . 25786 Yersiniabactin . 25786 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25786 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 371 25786 '15N chemical shifts' 81 25786 '1H chemical shifts' 580 25786 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-07-28 2015-08-31 update BMRB 'update entry citation' 25786 1 . . 2015-09-21 2015-08-31 original author 'original release' 25786 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25787 'salicylate-loaded ArCP from yersiniabactin synthetase' 25786 PDB 2N6Y 'BMRB Entry Tracking System' 25786 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25786 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26334259 _Citation.Full_citation . _Citation.Title ; The Solution Structure of a Nonribosomal Peptide Syn-thetase Carrier Protein Loaded with its Substrate Reveals Transient, Well-defined Contacts ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 137 _Citation.Journal_issue 37 _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 12100 _Citation.Page_last 12109 _Citation.Year 2015 _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 Andrew Goodrich . C. . . 25786 1 2 Bradley Harden . J. . . 25786 1 3 Dominique Frueh . P. . . 25786 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25786 _Assembly.ID 1 _Assembly.Name 'holo ArCP from yersiniabactin synthetase' _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 . . . 25786 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25786 _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 ; DNRHAADYQQLRERLIQELN LTPQQLHEESNLIQAGLDXI RLMRWLHWFRKNGYRLTLRE LYAAPTLAAWNQLMLSRSPE ; _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 80 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9942.206 _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 14 ASP . 25786 1 2 15 ASN . 25786 1 3 16 ARG . 25786 1 4 17 HIS . 25786 1 5 18 ALA . 25786 1 6 19 ALA . 25786 1 7 20 ASP . 25786 1 8 21 TYR . 25786 1 9 22 GLN . 25786 1 10 23 GLN . 25786 1 11 24 LEU . 25786 1 12 25 ARG . 25786 1 13 26 GLU . 25786 1 14 27 ARG . 25786 1 15 28 LEU . 25786 1 16 29 ILE . 25786 1 17 30 GLN . 25786 1 18 31 GLU . 25786 1 19 32 LEU . 25786 1 20 33 ASN . 25786 1 21 34 LEU . 25786 1 22 35 THR . 25786 1 23 36 PRO . 25786 1 24 37 GLN . 25786 1 25 38 GLN . 25786 1 26 39 LEU . 25786 1 27 40 HIS . 25786 1 28 41 GLU . 25786 1 29 42 GLU . 25786 1 30 43 SER . 25786 1 31 44 ASN . 25786 1 32 45 LEU . 25786 1 33 46 ILE . 25786 1 34 47 GLN . 25786 1 35 48 ALA . 25786 1 36 49 GLY . 25786 1 37 50 LEU . 25786 1 38 51 ASP . 25786 1 39 52 4HH . 25786 1 40 53 ILE . 25786 1 41 54 ARG . 25786 1 42 55 LEU . 25786 1 43 56 MET . 25786 1 44 57 ARG . 25786 1 45 58 TRP . 25786 1 46 59 LEU . 25786 1 47 60 HIS . 25786 1 48 61 TRP . 25786 1 49 62 PHE . 25786 1 50 63 ARG . 25786 1 51 64 LYS . 25786 1 52 65 ASN . 25786 1 53 66 GLY . 25786 1 54 67 TYR . 25786 1 55 68 ARG . 25786 1 56 69 LEU . 25786 1 57 70 THR . 25786 1 58 71 LEU . 25786 1 59 72 ARG . 25786 1 60 73 GLU . 25786 1 61 74 LEU . 25786 1 62 75 TYR . 25786 1 63 76 ALA . 25786 1 64 77 ALA . 25786 1 65 78 PRO . 25786 1 66 79 THR . 25786 1 67 80 LEU . 25786 1 68 81 ALA . 25786 1 69 82 ALA . 25786 1 70 83 TRP . 25786 1 71 84 ASN . 25786 1 72 85 GLN . 25786 1 73 86 LEU . 25786 1 74 87 MET . 25786 1 75 88 LEU . 25786 1 76 89 SER . 25786 1 77 90 ARG . 25786 1 78 91 SER . 25786 1 79 92 PRO . 25786 1 80 93 GLU . 25786 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 . ASP 1 1 25786 1 . ASN 2 2 25786 1 . ARG 3 3 25786 1 . HIS 4 4 25786 1 . ALA 5 5 25786 1 . ALA 6 6 25786 1 . ASP 7 7 25786 1 . TYR 8 8 25786 1 . GLN 9 9 25786 1 . GLN 10 10 25786 1 . LEU 11 11 25786 1 . ARG 12 12 25786 1 . GLU 13 13 25786 1 . ARG 14 14 25786 1 . LEU 15 15 25786 1 . ILE 16 16 25786 1 . GLN 17 17 25786 1 . GLU 18 18 25786 1 . LEU 19 19 25786 1 . ASN 20 20 25786 1 . LEU 21 21 25786 1 . THR 22 22 25786 1 . PRO 23 23 25786 1 . GLN 24 24 25786 1 . GLN 25 25 25786 1 . LEU 26 26 25786 1 . HIS 27 27 25786 1 . GLU 28 28 25786 1 . GLU 29 29 25786 1 . SER 30 30 25786 1 . ASN 31 31 25786 1 . LEU 32 32 25786 1 . ILE 33 33 25786 1 . GLN 34 34 25786 1 . ALA 35 35 25786 1 . GLY 36 36 25786 1 . LEU 37 37 25786 1 . ASP 38 38 25786 1 . 4HH 39 39 25786 1 . ILE 40 40 25786 1 . ARG 41 41 25786 1 . LEU 42 42 25786 1 . MET 43 43 25786 1 . ARG 44 44 25786 1 . TRP 45 45 25786 1 . LEU 46 46 25786 1 . HIS 47 47 25786 1 . TRP 48 48 25786 1 . PHE 49 49 25786 1 . ARG 50 50 25786 1 . LYS 51 51 25786 1 . ASN 52 52 25786 1 . GLY 53 53 25786 1 . TYR 54 54 25786 1 . ARG 55 55 25786 1 . LEU 56 56 25786 1 . THR 57 57 25786 1 . LEU 58 58 25786 1 . ARG 59 59 25786 1 . GLU 60 60 25786 1 . LEU 61 61 25786 1 . TYR 62 62 25786 1 . ALA 63 63 25786 1 . ALA 64 64 25786 1 . PRO 65 65 25786 1 . THR 66 66 25786 1 . LEU 67 67 25786 1 . ALA 68 68 25786 1 . ALA 69 69 25786 1 . TRP 70 70 25786 1 . ASN 71 71 25786 1 . GLN 72 72 25786 1 . LEU 73 73 25786 1 . MET 74 74 25786 1 . LEU 75 75 25786 1 . SER 76 76 25786 1 . ARG 77 77 25786 1 . SER 78 78 25786 1 . PRO 79 79 25786 1 . GLU 80 80 25786 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 25786 _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 . 632 organism . 'yersinia pestis' enterobacteria . . Bacteria . yersinia pestis . . . . . . . . . . . . . 25786 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 25786 _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 . . . . . . pET-DUET-1 . . . 25786 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_4HH _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_4HH _Chem_comp.Entry_ID 25786 _Chem_comp.ID 4HH _Chem_comp.Provenance PDB _Chem_comp.Name ; O-[(S)-hydroxy{[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl]oxy}phosphoryl]-L-serine ; _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code 4HH _Chem_comp.PDB_code 4HH _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2015-09-15 _Chem_comp.Modified_date 2015-09-15 _Chem_comp.Release_status HOLD _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code 4HH _Chem_comp.Number_atoms_all 56 _Chem_comp.Number_atoms_nh 28 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C14H28N3O9PS/c1-14(2,8-26-27(23,24)25-7-9(15)13(21)22)11(19)12(20)17-4-3-10(18)16-5-6-28/h9,11,19,28H,3-8,15H2,1-2H3,(H,16,18)(H,17,20)(H,21,22)(H,23,24)/t9-,11-/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 SER _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C14 H28 N3 O9 P S' _Chem_comp.Formula_weight 445.426 _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 yes _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2N6Y _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 CC(C)(COP(=O)(O)OCC(C(=O)O)N)C(C(=O)NCCC(=O)NCCS)O SMILES 'OpenEye OEToolkits' 1.7.6 25786 4HH CC(C)(COP(=O)(O)OC[C@@H](C(=O)O)N)[C@H](C(=O)NCCC(=O)NCCS)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 25786 4HH CC(C)(CO[P](O)(=O)OC[C@H](N)C(O)=O)[C@@H](O)C(=O)NCCC(=O)NCCS SMILES_CANONICAL CACTVS 3.385 25786 4HH CC(C)(CO[P](O)(=O)OC[CH](N)C(O)=O)[CH](O)C(=O)NCCC(=O)NCCS SMILES CACTVS 3.385 25786 4HH ; InChI=1S/C14H28N3O9PS/c1-14(2,8-26-27(23,24)25-7-9(15)13(21)22)11(19)12(20)17-4-3-10(18)16-5-6-28/h9,11,19,28H,3-8,15H2,1-2H3,(H,16,18)(H,17,20)(H,21,22)(H,23,24)/t9-,11-/m0/s1 ; InChI InChI 1.03 25786 4HH JVRAFVIBQUUZKZ-ONGXEEELSA-N InChIKey InChI 1.03 25786 4HH O=C(O)C(N)COP(O)(=O)OCC(C)(C(C(=O)NCCC(=O)NCCS)O)C SMILES ACDLabs 12.01 25786 4HH 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-azanyl-3-[[(3R)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(2-sulfanylethylamino)propyl]amino]butoxy]-oxidanyl-phosphoryl]oxy-propanoic acid ; 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 25786 4HH ; O-[(S)-hydroxy{[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl]oxy}phosphoryl]-L-serine ; 'SYSTEMATIC NAME' ACDLabs 12.01 25786 4HH 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 O O O O . O . . N 0 . . . 1 no no . . . . -5.653 . -24.863 . 12.678 . -8.016 2.933 -0.134 1 . 25786 4HH C C C C . C . . N 0 . . . 1 no no . . . . -4.587 . -25.451 . 12.918 . -6.880 3.206 0.175 2 . 25786 4HH CA CA CA CA . C . . S 0 . . . 1 no no . . . . -3.972 . -26.430 . 11.926 . -5.978 2.142 0.747 3 . 25786 4HH N N N N . N . . N 0 . . . 1 no no . . . . -2.674 . -26.844 . 12.438 . -6.794 1.039 1.271 4 . 25786 4HH CB CB CB CB . C . . N 0 . . . 1 no no . . . . -4.859 . -27.646 . 11.754 . -5.051 1.615 -0.350 5 . 25786 4HH OG OG OG OG . O . . N 0 . . . 1 no no . . . . -5.046 . -28.245 . 13.029 . -4.119 0.692 0.217 6 . 25786 4HH CJ CJ CJ CJ . C . . N 0 . . . 1 no no . . . . -7.731 . -27.457 . 13.405 . -1.220 -2.014 -0.223 7 . 25786 4HH CK CK CK CK . C . . N 0 . . . 1 no no . . . . -9.203 . -27.048 . 13.235 . -0.683 -2.874 0.923 8 . 25786 4HH CL1 CL1 CL1 CL1 . C . . N 0 . . . 1 no no . . . . -9.658 . -27.382 . 11.805 . -0.059 -1.971 1.989 9 . 25786 4HH CL2 CL2 CL2 CL2 . C . . N 0 . . . 1 no no . . . . -9.219 . -25.539 . 13.403 . -1.831 -3.675 1.541 10 . 25786 4HH CL3 CL3 CL3 CL3 . C . . N 0 . . . 1 no no . . . . -11.584 . -27.697 . 14.249 . 1.439 -3.055 -0.347 11 . 25786 4HH CM CM CM CM . C . . R 0 . . . 1 no no . . . . -10.035 . -27.850 . 14.295 . 0.377 -3.836 0.384 12 . 25786 4HH OM OM OM OM . O . . N 0 . . . 1 no no . . . . -9.582 . -27.552 . 15.617 . -0.234 -4.765 -0.513 13 . 25786 4HH NN NN NN NN . N . . N 0 . . . 1 no no . . . . -12.141 . -26.647 . 13.665 . 2.297 -2.276 0.342 14 . 25786 4HH ON ON ON ON . O . . N 0 . . . 1 no no . . . . -12.266 . -28.550 . 14.779 . 1.522 -3.128 -1.554 15 . 25786 4HH P P P P . P . . N 0 . . . 1 no no . . . . -6.153 . -29.376 . 13.218 . -2.991 -0.059 -0.652 16 . 25786 4HH O1P O1P O1P O1P . O . . N 0 . . . 1 no no . . . . -6.088 . -29.804 . 14.623 . -1.947 1.023 -1.227 17 . 25786 4HH O2P O2P O2P O2P . O . . N 0 . . . 1 no no . . . . -5.825 . -30.483 . 12.313 . -3.631 -0.774 -1.779 18 . 25786 4HH O3P O3P O3P O3P . O . . N 0 . . . 1 no no . . . . -7.489 . -28.796 . 12.929 . -2.211 -1.115 0.280 19 . 25786 4HH CO CO CO CO . C . . N 0 . . . 1 no no . . . . -12.431 . -25.381 . 14.395 . 3.260 -1.437 -0.375 20 . 25786 4HH CP CP CP CP . C . . N 0 . . . 1 no no . . . . -12.724 . -24.196 . 13.475 . 4.108 -0.659 0.634 21 . 25786 4HH CQ CQ CQ CQ . C . . N 0 . . . 1 no no . . . . -13.044 . -22.922 . 14.250 . 5.099 0.205 -0.103 22 . 25786 4HH CS CS CS CS . C . . N 0 . . . 1 no no . . . . -13.556 . -21.038 . 12.782 . 6.920 1.823 -0.131 23 . 25786 4HH CT CT CT CT . C . . N 0 . . . 1 no no . . . . -12.764 . -20.109 . 11.874 . 7.768 2.601 0.878 24 . 25786 4HH NR NR NR NR . N . . N 0 . . . 1 no no . . . . -12.693 . -21.791 . 13.673 . 5.957 0.984 0.586 25 . 25786 4HH OR OR OR OR . O . . N 0 . . . 1 no no . . . . -13.590 . -22.968 . 15.336 . 5.125 0.199 -1.315 26 . 25786 4HH SU SU SU SU . S . . N 0 . . . 1 no no . . . . -13.815 . -19.210 . 10.709 . 8.961 3.641 -0.009 27 . 25786 4HH HA HA HA HA . H . . N 0 . . . 1 no no . . . . -3.851 . -25.929 . 10.954 . -5.381 2.568 1.554 28 . 25786 4HH H H H H . H . . N 0 . . . 1 no no . . . . -2.088 . -26.041 . 12.552 . -7.357 0.627 0.542 29 . 25786 4HH H2 H2 H2 H2 . H . . N 0 . . . 1 no yes . . . . -2.793 . -27.297 . 13.321 . -6.216 0.343 1.718 30 . 25786 4HH HB3 HB3 HB3 HB3 . H . . N 0 . . . 1 no no . . . . -5.831 . -27.342 . 11.340 . -5.643 1.111 -1.114 31 . 25786 4HH HB2 HB2 HB2 HB2 . H . . N 0 . . . 1 no no . . . . -4.379 . -28.364 . 11.073 . -4.510 2.448 -0.800 32 . 25786 4HH HJ3 HJ3 HJ3 HJ3 . H . . N 0 . . . 1 no no . . . . -7.468 . -27.405 . 14.472 . -0.403 -1.444 -0.663 33 . 25786 4HH HJ2 HJ2 HJ2 HJ2 . H . . N 0 . . . 1 no no . . . . -7.099 . -26.758 . 12.837 . -1.665 -2.657 -0.982 34 . 25786 4HH HL13 HL13 HL13 HL13 . H . . N 0 . . . 0 no no . . . . -9.653 . -28.473 . 11.663 . 0.407 -2.587 2.758 35 . 25786 4HH HL12 HL12 HL12 HL12 . H . . N 0 . . . 0 no no . . . . -10.676 . -26.996 . 11.645 . 0.695 -1.333 1.528 36 . 25786 4HH HL11 HL11 HL11 HL11 . H . . N 0 . . . 0 no no . . . . -8.971 . -26.916 . 11.083 . -0.834 -1.351 2.439 37 . 25786 4HH HL21 HL21 HL21 HL21 . H . . N 0 . . . 0 no no . . . . -8.896 . -25.280 . 14.422 . -2.352 -4.226 0.758 38 . 25786 4HH HL23 HL23 HL23 HL23 . H . . N 0 . . . 0 no no . . . . -8.534 . -25.082 . 12.674 . -1.432 -4.375 2.275 39 . 25786 4HH HL22 HL22 HL22 HL22 . H . . N 0 . . . 0 no no . . . . -10.239 . -25.162 . 13.235 . -2.527 -2.993 2.030 40 . 25786 4HH HL3 HL3 HL3 HL3 . H . . N 0 . . . 1 no no . . . . -9.827 . -28.913 . 14.103 . 0.831 -4.378 1.214 41 . 25786 4HH HM HM HM HM . H . . N 0 . . . 1 no no . . . . -10.282 . -27.720 . 16.237 . -0.659 -4.352 -1.278 42 . 25786 4HH HN HN HN HN . H . . N 0 . . . 1 no no . . . . -12.376 . -26.706 . 12.695 . 2.276 -2.271 1.311 43 . 25786 4HH H4 H4 H4 H4 . H . . N 0 . . . 1 no no . . . . -5.844 . -30.721 . 14.664 . -1.489 1.530 -0.542 44 . 25786 4HH HO2 HO2 HO2 HO2 . H . . N 0 . . . 1 no no . . . . -11.559 . -25.131 . 15.017 . 3.908 -2.067 -0.984 45 . 25786 4HH HO3 HO3 HO3 HO3 . H . . N 0 . . . 1 no no . . . . -13.307 . -25.545 . 15.040 . 2.726 -0.737 -1.016 46 . 25786 4HH HP3 HP3 HP3 HP3 . H . . N 0 . . . 1 no no . . . . -13.585 . -24.448 . 12.838 . 3.460 -0.029 1.244 47 . 25786 4HH HP2 HP2 HP2 HP2 . H . . N 0 . . . 1 no no . . . . -11.842 . -24.013 . 12.843 . 4.642 -1.359 1.276 48 . 25786 4HH HS2 HS2 HS2 HS2 . H . . N 0 . . . 1 no no . . . . -14.252 . -20.437 . 13.385 . 6.385 2.523 -0.772 49 . 25786 4HH HS3 HS3 HS3 HS3 . H . . N 0 . . . 1 no no . . . . -14.126 . -21.743 . 12.159 . 7.568 1.193 -0.740 50 . 25786 4HH HT3 HT3 HT3 HT3 . H . . N 0 . . . 1 no no . . . . -12.039 . -20.708 . 11.304 . 7.120 3.231 1.488 51 . 25786 4HH HT2 HT2 HT2 HT2 . H . . N 0 . . . 1 no no . . . . -12.227 . -19.380 . 12.499 . 8.302 1.901 1.520 52 . 25786 4HH HR HR HR HR . H . . N 0 . . . 1 no no . . . . -11.779 . -21.431 . 13.860 . 5.936 0.989 1.555 53 . 25786 4HH HU HU HU HU . H . . N 0 . . . 1 no no . . . . -12.946 . -18.498 . 10.055 . 9.625 4.255 0.986 54 . 25786 4HH OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . . . . . . . -6.419 4.455 0.003 55 . 25786 4HH HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . . . . . . . -7.033 5.102 -0.371 56 . 25786 4HH 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 SU CT no N 1 . 25786 4HH 2 . SING CB CA no N 2 . 25786 4HH 3 . SING CB OG no N 3 . 25786 4HH 4 . SING CL1 CK no N 4 . 25786 4HH 5 . SING CT CS no N 5 . 25786 4HH 6 . SING CA N no N 6 . 25786 4HH 7 . SING CA C no N 7 . 25786 4HH 8 . DOUB O2P P no N 8 . 25786 4HH 9 . DOUB O C no N 9 . 25786 4HH 10 . SING CS NR no N 10 . 25786 4HH 11 . SING O3P P no N 11 . 25786 4HH 12 . SING O3P CJ no N 12 . 25786 4HH 13 . SING OG P no N 13 . 25786 4HH 14 . SING P O1P no N 14 . 25786 4HH 15 . SING CK CL2 no N 15 . 25786 4HH 16 . SING CK CJ no N 16 . 25786 4HH 17 . SING CK CM no N 17 . 25786 4HH 18 . SING CP CQ no N 18 . 25786 4HH 19 . SING CP CO no N 19 . 25786 4HH 20 . SING NN CL3 no N 20 . 25786 4HH 21 . SING NN CO no N 21 . 25786 4HH 22 . SING NR CQ no N 22 . 25786 4HH 23 . SING CL3 CM no N 23 . 25786 4HH 24 . DOUB CL3 ON no N 24 . 25786 4HH 25 . DOUB CQ OR no N 25 . 25786 4HH 26 . SING CM OM no N 26 . 25786 4HH 27 . SING CA HA no N 27 . 25786 4HH 28 . SING N H no N 28 . 25786 4HH 29 . SING N H2 no N 29 . 25786 4HH 30 . SING CB HB3 no N 30 . 25786 4HH 31 . SING CB HB2 no N 31 . 25786 4HH 32 . SING CJ HJ3 no N 32 . 25786 4HH 33 . SING CJ HJ2 no N 33 . 25786 4HH 34 . SING CL1 HL13 no N 34 . 25786 4HH 35 . SING CL1 HL12 no N 35 . 25786 4HH 36 . SING CL1 HL11 no N 36 . 25786 4HH 37 . SING CL2 HL21 no N 37 . 25786 4HH 38 . SING CL2 HL23 no N 38 . 25786 4HH 39 . SING CL2 HL22 no N 39 . 25786 4HH 40 . SING CM HL3 no N 40 . 25786 4HH 41 . SING OM HM no N 41 . 25786 4HH 42 . SING NN HN no N 42 . 25786 4HH 43 . SING O1P H4 no N 43 . 25786 4HH 44 . SING CO HO2 no N 44 . 25786 4HH 45 . SING CO HO3 no N 45 . 25786 4HH 46 . SING CP HP3 no N 46 . 25786 4HH 47 . SING CP HP2 no N 47 . 25786 4HH 48 . SING CS HS2 no N 48 . 25786 4HH 49 . SING CS HS3 no N 49 . 25786 4HH 50 . SING CT HT3 no N 50 . 25786 4HH 51 . SING CT HT2 no N 51 . 25786 4HH 52 . SING NR HR no N 52 . 25786 4HH 53 . SING SU HU no N 53 . 25786 4HH 54 . SING C OXT no N 54 . 25786 4HH 55 . SING OXT HXT no N 55 . 25786 4HH stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_n15 _Sample.Sf_category sample _Sample.Sf_framecode n15 _Sample.Entry_ID 25786 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 Holo-ArCP '[U-99% 15N]' . . 1 $entity . . 0.3-0.5 . . mM . . . . 25786 1 2 ACES 'natural abundance' . . . . . . 50 . . mM . . . . 25786 1 3 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 25786 1 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 25786 1 5 'magnesium chloride' 'natural abundance' . . . . . . 1 . . mM . . . . 25786 1 6 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 25786 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25786 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25786 1 stop_ save_ save_c13 _Sample.Sf_category sample _Sample.Sf_framecode c13 _Sample.Entry_ID 25786 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 Holo-ArCP '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 0.3-0.5 . . mM . . . . 25786 2 2 ACES 'natural abundance' . . . . . . 50 . . mM . . . . 25786 2 3 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 25786 2 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 25786 2 5 'magnesium chloride' 'natural abundance' . . . . . . 1 . . mM . . . . 25786 2 6 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 25786 2 7 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25786 2 stop_ save_ ####################### # Sample conditions # ####################### save_h2o _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode h2o _Sample_condition_list.Entry_ID 25786 _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 6.80 . pH 25786 1 pressure 1 . atm 25786 1 temperature 298 . K 25786 1 stop_ save_ save_d2o _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode d2o _Sample_condition_list.Entry_ID 25786 _Sample_condition_list.ID 2 _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 pD 6.40 . pD 25786 2 pressure 1 . atm 25786 2 temperature 298 . K 25786 2 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25786 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25786 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25786 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25786 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25786 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25786 2 'data analysis' 25786 2 'peak picking' 25786 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 25786 _Software.ID 3 _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' . . 25786 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25786 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25786 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25786 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 25786 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 25786 _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 $n15 isotropic . . 1 $h2o . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25786 1 2 '3D HNCO' no . . . . . . . . . . 2 $c13 isotropic . . 1 $h2o . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25786 1 3 '3D HNCA' no . . . . . . . . . . 2 $c13 isotropic . . 1 $h2o . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25786 1 4 '3D HN(CO)CA' no . . . . . . . . . . 2 $c13 isotropic . . 1 $h2o . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25786 1 5 '3D H(CCO)NH' no . . . . . . . . . . 2 $c13 isotropic . . 1 $h2o . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25786 1 6 '3D HNCACB' no . . . . . . . . . . 2 $c13 isotropic . . 1 $h2o . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25786 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $n15 isotropic . . 1 $h2o . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25786 1 8 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $c13 isotropic . . 1 $h2o . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25786 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $c13 isotropic . . 2 $d2o . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25786 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 25786 _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 . . . . . 25786 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25786 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25786 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 25786 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $h2o _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 2 '3D HNCO' . . . 25786 1 3 '3D HNCA' . . . 25786 1 4 '3D HN(CO)CA' . . . 25786 1 5 '3D H(CCO)NH' . . . 25786 1 6 '3D HNCACB' . . . 25786 1 7 '3D 1H-15N NOESY' . . . 25786 1 9 '3D 1H-13C NOESY' . . . 25786 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ASP HA H 1 4.645 . . 1 . . . A 14 ASP HA . 25786 1 2 . 1 1 1 1 ASP HB2 H 1 2.749 . . 2 . . . A 14 ASP HB2 . 25786 1 3 . 1 1 1 1 ASP HB3 H 1 2.68 . . 2 . . . A 14 ASP HB3 . 25786 1 4 . 1 1 1 1 ASP H H 1 8.569 . . 1 . . . A 14 ASP H . 25786 1 5 . 1 1 1 1 ASP C C 13 176.031 . . 1 . . . A 14 ASP C . 25786 1 6 . 1 1 1 1 ASP CA C 13 54.25 . . 1 . . . A 14 ASP CA . 25786 1 7 . 1 1 1 1 ASP CB C 13 41.083 . . 1 . . . A 14 ASP CB . 25786 1 8 . 1 1 1 1 ASP N N 15 122.9 . . 1 . . . A 14 ASP N . 25786 1 9 . 1 1 2 2 ASN H H 1 8.425 . . 1 . . . A 15 ASN H . 25786 1 10 . 1 1 2 2 ASN HA H 1 4.719 . . 1 . . . A 15 ASN HA . 25786 1 11 . 1 1 2 2 ASN HB2 H 1 2.88 . . 2 . . . A 15 ASN HB2 . 25786 1 12 . 1 1 2 2 ASN HB3 H 1 2.82 . . 2 . . . A 15 ASN HB3 . 25786 1 13 . 1 1 2 2 ASN C C 13 175.735 . . 1 . . . A 15 ASN C . 25786 1 14 . 1 1 2 2 ASN CA C 13 53.556 . . 1 . . . A 15 ASN CA . 25786 1 15 . 1 1 2 2 ASN CB C 13 38.731 . . 1 . . . A 15 ASN CB . 25786 1 16 . 1 1 2 2 ASN N N 15 119.857 . . 1 . . . A 15 ASN N . 25786 1 17 . 1 1 3 3 ARG H H 1 8.347 . . 1 . . . A 16 ARG H . 25786 1 18 . 1 1 3 3 ARG HA H 1 4.211 . . 1 . . . A 16 ARG HA . 25786 1 19 . 1 1 3 3 ARG HB2 H 1 1.849 . . 2 . . . A 16 ARG HB2 . 25786 1 20 . 1 1 3 3 ARG HB3 H 1 1.849 . . 2 . . . A 16 ARG HB3 . 25786 1 21 . 1 1 3 3 ARG HG2 H 1 1.628 . . 2 . . . A 16 ARG HG2 . 25786 1 22 . 1 1 3 3 ARG HG3 H 1 1.628 . . 2 . . . A 16 ARG HG3 . 25786 1 23 . 1 1 3 3 ARG HD2 H 1 3.206 . . 2 . . . A 16 ARG HD2 . 25786 1 24 . 1 1 3 3 ARG HD3 H 1 3.206 . . 2 . . . A 16 ARG HD3 . 25786 1 25 . 1 1 3 3 ARG C C 13 176.669 . . 1 . . . A 16 ARG C . 25786 1 26 . 1 1 3 3 ARG CA C 13 57.735 . . 1 . . . A 16 ARG CA . 25786 1 27 . 1 1 3 3 ARG CB C 13 30.224 . . 1 . . . A 16 ARG CB . 25786 1 28 . 1 1 3 3 ARG CG C 13 26.684 . . 1 . . . A 16 ARG CG . 25786 1 29 . 1 1 3 3 ARG CD C 13 43.039 . . 1 . . . A 16 ARG CD . 25786 1 30 . 1 1 3 3 ARG N N 15 122.03 . . 1 . . . A 16 ARG N . 25786 1 31 . 1 1 4 4 HIS H H 1 8.395 . . 1 . . . A 17 HIS H . 25786 1 32 . 1 1 4 4 HIS HA H 1 4.563 . . 1 . . . A 17 HIS HA . 25786 1 33 . 1 1 4 4 HIS HB2 H 1 3.261 . . 2 . . . A 17 HIS HB2 . 25786 1 34 . 1 1 4 4 HIS HB3 H 1 3.147 . . 2 . . . A 17 HIS HB3 . 25786 1 35 . 1 1 4 4 HIS HD2 H 1 6.998 . . 1 . . . A 17 HIS HD2 . 25786 1 36 . 1 1 4 4 HIS C C 13 176.284 . . 1 . . . A 17 HIS C . 25786 1 37 . 1 1 4 4 HIS CA C 13 58.394 . . 1 . . . A 17 HIS CA . 25786 1 38 . 1 1 4 4 HIS CB C 13 30.362 . . 1 . . . A 17 HIS CB . 25786 1 39 . 1 1 4 4 HIS CD2 C 13 118.396 . . 1 . . . A 17 HIS CD2 . 25786 1 40 . 1 1 4 4 HIS N N 15 118.59 . . 1 . . . A 17 HIS N . 25786 1 41 . 1 1 5 5 ALA H H 1 8.436 . . 1 . . . A 18 ALA H . 25786 1 42 . 1 1 5 5 ALA HA H 1 4.182 . . 1 . . . A 18 ALA HA . 25786 1 43 . 1 1 5 5 ALA HB1 H 1 1.581 . . 2 . . . A 18 ALA HB1 . 25786 1 44 . 1 1 5 5 ALA HB2 H 1 1.581 . . 2 . . . A 18 ALA HB2 . 25786 1 45 . 1 1 5 5 ALA HB3 H 1 1.581 . . 2 . . . A 18 ALA HB3 . 25786 1 46 . 1 1 5 5 ALA C C 13 180.003 . . 1 . . . A 18 ALA C . 25786 1 47 . 1 1 5 5 ALA CA C 13 54.294 . . 1 . . . A 18 ALA CA . 25786 1 48 . 1 1 5 5 ALA CB C 13 18.849 . . 1 . . . A 18 ALA CB . 25786 1 49 . 1 1 5 5 ALA N N 15 122.047 . . 1 . . . A 18 ALA N . 25786 1 50 . 1 1 6 6 ALA H H 1 8.402 . . 1 . . . A 19 ALA H . 25786 1 51 . 1 1 6 6 ALA HA H 1 4.275 . . 1 . . . A 19 ALA HA . 25786 1 52 . 1 1 6 6 ALA HB1 H 1 1.571 . . 2 . . . A 19 ALA HB1 . 25786 1 53 . 1 1 6 6 ALA HB2 H 1 1.571 . . 2 . . . A 19 ALA HB2 . 25786 1 54 . 1 1 6 6 ALA HB3 H 1 1.571 . . 2 . . . A 19 ALA HB3 . 25786 1 55 . 1 1 6 6 ALA C C 13 180.295 . . 1 . . . A 19 ALA C . 25786 1 56 . 1 1 6 6 ALA CA C 13 55.04 . . 1 . . . A 19 ALA CA . 25786 1 57 . 1 1 6 6 ALA CB C 13 18.267 . . 1 . . . A 19 ALA CB . 25786 1 58 . 1 1 6 6 ALA N N 15 122.607 . . 1 . . . A 19 ALA N . 25786 1 59 . 1 1 7 7 ASP H H 1 8.317 . . 1 . . . A 20 ASP H . 25786 1 60 . 1 1 7 7 ASP HA H 1 4.837 . . 1 . . . A 20 ASP HA . 25786 1 61 . 1 1 7 7 ASP HB2 H 1 2.925 . . 2 . . . A 20 ASP HB2 . 25786 1 62 . 1 1 7 7 ASP HB3 H 1 2.925 . . 2 . . . A 20 ASP HB3 . 25786 1 63 . 1 1 7 7 ASP C C 13 177.313 . . 1 . . . A 20 ASP C . 25786 1 64 . 1 1 7 7 ASP CA C 13 56.725 . . 1 . . . A 20 ASP CA . 25786 1 65 . 1 1 7 7 ASP CB C 13 40.189 . . 1 . . . A 20 ASP CB . 25786 1 66 . 1 1 7 7 ASP N N 15 118.796 . . 1 . . . A 20 ASP N . 25786 1 67 . 1 1 8 8 TYR H H 1 8.679 . . 1 . . . A 21 TYR H . 25786 1 68 . 1 1 8 8 TYR HA H 1 4.058 . . 1 . . . A 21 TYR HA . 25786 1 69 . 1 1 8 8 TYR HB2 H 1 3.059 . . 2 . . . A 21 TYR HB2 . 25786 1 70 . 1 1 8 8 TYR HB3 H 1 3.003 . . 2 . . . A 21 TYR HB3 . 25786 1 71 . 1 1 8 8 TYR HD1 H 1 7.006 . . 3 . . . A 21 TYR HD1 . 25786 1 72 . 1 1 8 8 TYR HD2 H 1 7.006 . . 3 . . . A 21 TYR HD2 . 25786 1 73 . 1 1 8 8 TYR HE1 H 1 6.67 . . 3 . . . A 21 TYR HE1 . 25786 1 74 . 1 1 8 8 TYR HE2 H 1 6.67 . . 3 . . . A 21 TYR HE2 . 25786 1 75 . 1 1 8 8 TYR C C 13 176.282 . . 1 . . . A 21 TYR C . 25786 1 76 . 1 1 8 8 TYR CA C 13 61.892 . . 1 . . . A 21 TYR CA . 25786 1 77 . 1 1 8 8 TYR CB C 13 38.655 . . 1 . . . A 21 TYR CB . 25786 1 78 . 1 1 8 8 TYR CD1 C 13 133.064 . . 3 . . . A 21 TYR CD1 . 25786 1 79 . 1 1 8 8 TYR CD2 C 13 133.064 . . 3 . . . A 21 TYR CD2 . 25786 1 80 . 1 1 8 8 TYR CE1 C 13 118.183 . . 3 . . . A 21 TYR CE1 . 25786 1 81 . 1 1 8 8 TYR CE2 C 13 118.183 . . 3 . . . A 21 TYR CE2 . 25786 1 82 . 1 1 8 8 TYR N N 15 120.958 . . 1 . . . A 21 TYR N . 25786 1 83 . 1 1 9 9 GLN H H 1 8.236 . . 1 . . . A 22 GLN H . 25786 1 84 . 1 1 9 9 GLN HA H 1 3.826 . . 1 . . . A 22 GLN HA . 25786 1 85 . 1 1 9 9 GLN HB2 H 1 2.227 . . 2 . . . A 22 GLN HB2 . 25786 1 86 . 1 1 9 9 GLN HB3 H 1 2.227 . . 2 . . . A 22 GLN HB3 . 25786 1 87 . 1 1 9 9 GLN HG2 H 1 2.494 . . 2 . . . A 22 GLN HG2 . 25786 1 88 . 1 1 9 9 GLN HG3 H 1 2.494 . . 2 . . . A 22 GLN HG3 . 25786 1 89 . 1 1 9 9 GLN C C 13 178.197 . . 1 . . . A 22 GLN C . 25786 1 90 . 1 1 9 9 GLN CA C 13 59.11 . . 1 . . . A 22 GLN CA . 25786 1 91 . 1 1 9 9 GLN CB C 13 27.43 . . 1 . . . A 22 GLN CB . 25786 1 92 . 1 1 9 9 GLN CG C 13 33.273 . . 1 . . . A 22 GLN CG . 25786 1 93 . 1 1 9 9 GLN N N 15 117.715 . . 1 . . . A 22 GLN N . 25786 1 94 . 1 1 10 10 GLN H H 1 8.003 . . 1 . . . A 23 GLN H . 25786 1 95 . 1 1 10 10 GLN HA H 1 4.1 . . 1 . . . A 23 GLN HA . 25786 1 96 . 1 1 10 10 GLN HB2 H 1 2.372 . . 2 . . . A 23 GLN HB2 . 25786 1 97 . 1 1 10 10 GLN HB3 H 1 2.454 . . 2 . . . A 23 GLN HB3 . 25786 1 98 . 1 1 10 10 GLN HG2 H 1 2.67 . . 2 . . . A 23 GLN HG2 . 25786 1 99 . 1 1 10 10 GLN HG3 H 1 2.67 . . 2 . . . A 23 GLN HG3 . 25786 1 100 . 1 1 10 10 GLN C C 13 177.521 . . 1 . . . A 23 GLN C . 25786 1 101 . 1 1 10 10 GLN CA C 13 58.915 . . 1 . . . A 23 GLN CA . 25786 1 102 . 1 1 10 10 GLN CB C 13 29.032 . . 1 . . . A 23 GLN CB . 25786 1 103 . 1 1 10 10 GLN CG C 13 34.938 . . 1 . . . A 23 GLN CG . 25786 1 104 . 1 1 10 10 GLN N N 15 118.526 . . 1 . . . A 23 GLN N . 25786 1 105 . 1 1 11 11 LEU H H 1 8.031 . . 1 . . . A 24 LEU H . 25786 1 106 . 1 1 11 11 LEU HA H 1 3.444 . . 1 . . . A 24 LEU HA . 25786 1 107 . 1 1 11 11 LEU HB2 H 1 1.908 . . 2 . . . A 24 LEU HB2 . 25786 1 108 . 1 1 11 11 LEU HB3 H 1 1.335 . . 2 . . . A 24 LEU HB3 . 25786 1 109 . 1 1 11 11 LEU HD11 H 1 0.975 . . 2 . . . A 24 LEU HD11 . 25786 1 110 . 1 1 11 11 LEU HD12 H 1 0.975 . . 2 . . . A 24 LEU HD12 . 25786 1 111 . 1 1 11 11 LEU HD13 H 1 0.975 . . 2 . . . A 24 LEU HD13 . 25786 1 112 . 1 1 11 11 LEU HD21 H 1 0.059 . . 2 . . . A 24 LEU HD21 . 25786 1 113 . 1 1 11 11 LEU HD22 H 1 0.059 . . 2 . . . A 24 LEU HD22 . 25786 1 114 . 1 1 11 11 LEU HD23 H 1 0.059 . . 2 . . . A 24 LEU HD23 . 25786 1 115 . 1 1 11 11 LEU C C 13 176.882 . . 1 . . . A 24 LEU C . 25786 1 116 . 1 1 11 11 LEU CA C 13 58.115 . . 1 . . . A 24 LEU CA . 25786 1 117 . 1 1 11 11 LEU CB C 13 41.704 . . 1 . . . A 24 LEU CB . 25786 1 118 . 1 1 11 11 LEU CD1 C 13 26.981 . . 2 . . . A 24 LEU CD1 . 25786 1 119 . 1 1 11 11 LEU CD2 C 13 23.617 . . 2 . . . A 24 LEU CD2 . 25786 1 120 . 1 1 11 11 LEU N N 15 121.914 . . 1 . . . A 24 LEU N . 25786 1 121 . 1 1 12 12 ARG H H 1 7.981 . . 1 . . . A 25 ARG H . 25786 1 122 . 1 1 12 12 ARG HA H 1 3.395 . . 1 . . . A 25 ARG HA . 25786 1 123 . 1 1 12 12 ARG HB2 H 1 1.577 . . 2 . . . A 25 ARG HB2 . 25786 1 124 . 1 1 12 12 ARG HB3 H 1 1.293 . . 2 . . . A 25 ARG HB3 . 25786 1 125 . 1 1 12 12 ARG HG2 H 1 1.211 . . 2 . . . A 25 ARG HG2 . 25786 1 126 . 1 1 12 12 ARG HG3 H 1 1.211 . . 2 . . . A 25 ARG HG3 . 25786 1 127 . 1 1 12 12 ARG HD2 H 1 3.025 . . 2 . . . A 25 ARG HD2 . 25786 1 128 . 1 1 12 12 ARG HD3 H 1 3.025 . . 2 . . . A 25 ARG HD3 . 25786 1 129 . 1 1 12 12 ARG C C 13 177.469 . . 1 . . . A 25 ARG C . 25786 1 130 . 1 1 12 12 ARG CA C 13 60.246 . . 1 . . . A 25 ARG CA . 25786 1 131 . 1 1 12 12 ARG CB C 13 29.925 . . 1 . . . A 25 ARG CB . 25786 1 132 . 1 1 12 12 ARG CG C 13 27.902 . . 1 . . . A 25 ARG CG . 25786 1 133 . 1 1 12 12 ARG CD C 13 43.155 . . 1 . . . A 25 ARG CD . 25786 1 134 . 1 1 12 12 ARG N N 15 116.645 . . 1 . . . A 25 ARG N . 25786 1 135 . 1 1 13 13 GLU H H 1 8.16 . . 1 . . . A 26 GLU H . 25786 1 136 . 1 1 13 13 GLU HA H 1 3.832 . . 1 . . . A 26 GLU HA . 25786 1 137 . 1 1 13 13 GLU HB2 H 1 2.002 . . 2 . . . A 26 GLU HB2 . 25786 1 138 . 1 1 13 13 GLU HB3 H 1 2.104 . . 2 . . . A 26 GLU HB3 . 25786 1 139 . 1 1 13 13 GLU HG2 H 1 2.449 . . 2 . . . A 26 GLU HG2 . 25786 1 140 . 1 1 13 13 GLU HG3 H 1 2.264 . . 2 . . . A 26 GLU HG3 . 25786 1 141 . 1 1 13 13 GLU C C 13 179.682 . . 1 . . . A 26 GLU C . 25786 1 142 . 1 1 13 13 GLU CA C 13 59.517 . . 1 . . . A 26 GLU CA . 25786 1 143 . 1 1 13 13 GLU CB C 13 29.439 . . 1 . . . A 26 GLU CB . 25786 1 144 . 1 1 13 13 GLU CG C 13 36.563 . . 1 . . . A 26 GLU CG . 25786 1 145 . 1 1 13 13 GLU N N 15 115.943 . . 1 . . . A 26 GLU N . 25786 1 146 . 1 1 14 14 ARG H H 1 8.283 . . 1 . . . A 27 ARG H . 25786 1 147 . 1 1 14 14 ARG HA H 1 4.144 . . 1 . . . A 27 ARG HA . 25786 1 148 . 1 1 14 14 ARG HB2 H 1 1.996 . . 2 . . . A 27 ARG HB2 . 25786 1 149 . 1 1 14 14 ARG HB3 H 1 1.996 . . 2 . . . A 27 ARG HB3 . 25786 1 150 . 1 1 14 14 ARG HG2 H 1 1.649 . . 2 . . . A 27 ARG HG2 . 25786 1 151 . 1 1 14 14 ARG HG3 H 1 1.847 . . 2 . . . A 27 ARG HG3 . 25786 1 152 . 1 1 14 14 ARG HD2 H 1 3.001 . . 2 . . . A 27 ARG HD2 . 25786 1 153 . 1 1 14 14 ARG HD3 H 1 2.782 . . 2 . . . A 27 ARG HD3 . 25786 1 154 . 1 1 14 14 ARG C C 13 179.241 . . 1 . . . A 27 ARG C . 25786 1 155 . 1 1 14 14 ARG CA C 13 58.855 . . 1 . . . A 27 ARG CA . 25786 1 156 . 1 1 14 14 ARG CB C 13 29.996 . . 1 . . . A 27 ARG CB . 25786 1 157 . 1 1 14 14 ARG CG C 13 27.803 . . 1 . . . A 27 ARG CG . 25786 1 158 . 1 1 14 14 ARG CD C 13 42.978 . . 1 . . . A 27 ARG CD . 25786 1 159 . 1 1 14 14 ARG N N 15 118.766 . . 1 . . . A 27 ARG N . 25786 1 160 . 1 1 15 15 LEU H H 1 8.389 . . 1 . . . A 28 LEU H . 25786 1 161 . 1 1 15 15 LEU HA H 1 4.106 . . 1 . . . A 28 LEU HA . 25786 1 162 . 1 1 15 15 LEU HB2 H 1 0.932 . . 2 . . . A 28 LEU HB2 . 25786 1 163 . 1 1 15 15 LEU HB3 H 1 1.74 . . 2 . . . A 28 LEU HB3 . 25786 1 164 . 1 1 15 15 LEU HG H 1 1.325 . . 1 . . . A 28 LEU HG . 25786 1 165 . 1 1 15 15 LEU HD11 H 1 0.312 . . 2 . . . A 28 LEU HD11 . 25786 1 166 . 1 1 15 15 LEU HD12 H 1 0.312 . . 2 . . . A 28 LEU HD12 . 25786 1 167 . 1 1 15 15 LEU HD13 H 1 0.312 . . 2 . . . A 28 LEU HD13 . 25786 1 168 . 1 1 15 15 LEU HD21 H 1 0.438 . . 2 . . . A 28 LEU HD21 . 25786 1 169 . 1 1 15 15 LEU HD22 H 1 0.438 . . 2 . . . A 28 LEU HD22 . 25786 1 170 . 1 1 15 15 LEU HD23 H 1 0.438 . . 2 . . . A 28 LEU HD23 . 25786 1 171 . 1 1 15 15 LEU C C 13 178.766 . . 1 . . . A 28 LEU C . 25786 1 172 . 1 1 15 15 LEU CA C 13 58.558 . . 1 . . . A 28 LEU CA . 25786 1 173 . 1 1 15 15 LEU CB C 13 42.514 . . 1 . . . A 28 LEU CB . 25786 1 174 . 1 1 15 15 LEU CG C 13 26.881 . . 1 . . . A 28 LEU CG . 25786 1 175 . 1 1 15 15 LEU CD1 C 13 26.726 . . 2 . . . A 28 LEU CD1 . 25786 1 176 . 1 1 15 15 LEU CD2 C 13 24.237 . . 2 . . . A 28 LEU CD2 . 25786 1 177 . 1 1 15 15 LEU N N 15 122.077 . . 1 . . . A 28 LEU N . 25786 1 178 . 1 1 16 16 ILE H H 1 7.914 . . 1 . . . A 29 ILE H . 25786 1 179 . 1 1 16 16 ILE HA H 1 3.339 . . 1 . . . A 29 ILE HA . 25786 1 180 . 1 1 16 16 ILE HB H 1 1.872 . . 1 . . . A 29 ILE HB . 25786 1 181 . 1 1 16 16 ILE HG12 H 1 1.717 . . 2 . . . A 29 ILE HG12 . 25786 1 182 . 1 1 16 16 ILE HG13 H 1 1.717 . . 2 . . . A 29 ILE HG13 . 25786 1 183 . 1 1 16 16 ILE HG21 H 1 0.76 . . 2 . . . A 29 ILE HG21 . 25786 1 184 . 1 1 16 16 ILE HG22 H 1 0.76 . . 2 . . . A 29 ILE HG22 . 25786 1 185 . 1 1 16 16 ILE HG23 H 1 0.76 . . 2 . . . A 29 ILE HG23 . 25786 1 186 . 1 1 16 16 ILE HD11 H 1 0.724 . . 2 . . . A 29 ILE HD11 . 25786 1 187 . 1 1 16 16 ILE HD12 H 1 0.724 . . 2 . . . A 29 ILE HD12 . 25786 1 188 . 1 1 16 16 ILE HD13 H 1 0.724 . . 2 . . . A 29 ILE HD13 . 25786 1 189 . 1 1 16 16 ILE C C 13 177.927 . . 1 . . . A 29 ILE C . 25786 1 190 . 1 1 16 16 ILE CA C 13 66.203 . . 1 . . . A 29 ILE CA . 25786 1 191 . 1 1 16 16 ILE CB C 13 37.823 . . 1 . . . A 29 ILE CB . 25786 1 192 . 1 1 16 16 ILE CG1 C 13 30.527 . . 1 . . . A 29 ILE CG1 . 25786 1 193 . 1 1 16 16 ILE CG2 C 13 17.235 . . 1 . . . A 29 ILE CG2 . 25786 1 194 . 1 1 16 16 ILE CD1 C 13 14.135 . . 1 . . . A 29 ILE CD1 . 25786 1 195 . 1 1 16 16 ILE N N 15 117.586 . . 1 . . . A 29 ILE N . 25786 1 196 . 1 1 17 17 GLN H H 1 7.287 . . 1 . . . A 30 GLN H . 25786 1 197 . 1 1 17 17 GLN HA H 1 4.157 . . 1 . . . A 30 GLN HA . 25786 1 198 . 1 1 17 17 GLN HB2 H 1 2.192 . . 2 . . . A 30 GLN HB2 . 25786 1 199 . 1 1 17 17 GLN HB3 H 1 2.192 . . 2 . . . A 30 GLN HB3 . 25786 1 200 . 1 1 17 17 GLN HG2 H 1 2.418 . . 2 . . . A 30 GLN HG2 . 25786 1 201 . 1 1 17 17 GLN HG3 H 1 2.551 . . 2 . . . A 30 GLN HG3 . 25786 1 202 . 1 1 17 17 GLN C C 13 179.4 . . 1 . . . A 30 GLN C . 25786 1 203 . 1 1 17 17 GLN CA C 13 58.41 . . 1 . . . A 30 GLN CA . 25786 1 204 . 1 1 17 17 GLN CB C 13 28.804 . . 1 . . . A 30 GLN CB . 25786 1 205 . 1 1 17 17 GLN CG C 13 33.599 . . 1 . . . A 30 GLN CG . 25786 1 206 . 1 1 17 17 GLN N N 15 116.395 . . 1 . . . A 30 GLN N . 25786 1 207 . 1 1 18 18 GLU H H 1 8.814 . . 1 . . . A 31 GLU H . 25786 1 208 . 1 1 18 18 GLU HA H 1 4.023 . . 1 . . . A 31 GLU HA . 25786 1 209 . 1 1 18 18 GLU HB2 H 1 2.231 . . 2 . . . A 31 GLU HB2 . 25786 1 210 . 1 1 18 18 GLU HB3 H 1 2.108 . . 2 . . . A 31 GLU HB3 . 25786 1 211 . 1 1 18 18 GLU HG2 H 1 2.234 . . 2 . . . A 31 GLU HG2 . 25786 1 212 . 1 1 18 18 GLU HG3 H 1 2.449 . . 2 . . . A 31 GLU HG3 . 25786 1 213 . 1 1 18 18 GLU C C 13 178.395 . . 1 . . . A 31 GLU C . 25786 1 214 . 1 1 18 18 GLU CA C 13 59.377 . . 1 . . . A 31 GLU CA . 25786 1 215 . 1 1 18 18 GLU CB C 13 30.436 . . 1 . . . A 31 GLU CB . 25786 1 216 . 1 1 18 18 GLU CG C 13 36.933 . . 1 . . . A 31 GLU CG . 25786 1 217 . 1 1 18 18 GLU N N 15 120.336 . . 1 . . . A 31 GLU N . 25786 1 218 . 1 1 19 19 LEU H H 1 8.109 . . 1 . . . A 32 LEU H . 25786 1 219 . 1 1 19 19 LEU HA H 1 4.377 . . 1 . . . A 32 LEU HA . 25786 1 220 . 1 1 19 19 LEU HB2 H 1 1.763 . . 2 . . . A 32 LEU HB2 . 25786 1 221 . 1 1 19 19 LEU HB3 H 1 1.678 . . 2 . . . A 32 LEU HB3 . 25786 1 222 . 1 1 19 19 LEU HG H 1 1.497 . . 1 . . . A 32 LEU HG . 25786 1 223 . 1 1 19 19 LEU HD11 H 1 0.675 . . 2 . . . A 32 LEU HD11 . 25786 1 224 . 1 1 19 19 LEU HD12 H 1 0.675 . . 2 . . . A 32 LEU HD12 . 25786 1 225 . 1 1 19 19 LEU HD13 H 1 0.675 . . 2 . . . A 32 LEU HD13 . 25786 1 226 . 1 1 19 19 LEU HD21 H 1 0.664 . . 2 . . . A 32 LEU HD21 . 25786 1 227 . 1 1 19 19 LEU HD22 H 1 0.664 . . 2 . . . A 32 LEU HD22 . 25786 1 228 . 1 1 19 19 LEU HD23 H 1 0.664 . . 2 . . . A 32 LEU HD23 . 25786 1 229 . 1 1 19 19 LEU C C 13 176.033 . . 1 . . . A 32 LEU C . 25786 1 230 . 1 1 19 19 LEU CA C 13 54.101 . . 1 . . . A 32 LEU CA . 25786 1 231 . 1 1 19 19 LEU CB C 13 41.354 . . 1 . . . A 32 LEU CB . 25786 1 232 . 1 1 19 19 LEU CD1 C 13 21.557 . . 2 . . . A 32 LEU CD1 . 25786 1 233 . 1 1 19 19 LEU CD2 C 13 25.912 . . 2 . . . A 32 LEU CD2 . 25786 1 234 . 1 1 19 19 LEU N N 15 115.139 . . 1 . . . A 32 LEU N . 25786 1 235 . 1 1 20 20 ASN H H 1 7.796 . . 1 . . . A 33 ASN H . 25786 1 236 . 1 1 20 20 ASN HA H 1 4.453 . . 1 . . . A 33 ASN HA . 25786 1 237 . 1 1 20 20 ASN HB2 H 1 2.734 . . 2 . . . A 33 ASN HB2 . 25786 1 238 . 1 1 20 20 ASN HB3 H 1 3.151 . . 2 . . . A 33 ASN HB3 . 25786 1 239 . 1 1 20 20 ASN C C 13 174.288 . . 1 . . . A 33 ASN C . 25786 1 240 . 1 1 20 20 ASN CA C 13 54.024 . . 1 . . . A 33 ASN CA . 25786 1 241 . 1 1 20 20 ASN CB C 13 36.929 . . 1 . . . A 33 ASN CB . 25786 1 242 . 1 1 20 20 ASN N N 15 116.751 . . 1 . . . A 33 ASN N . 25786 1 243 . 1 1 21 21 LEU H H 1 7.728 . . 1 . . . A 34 LEU H . 25786 1 244 . 1 1 21 21 LEU HA H 1 4.787 . . 1 . . . A 34 LEU HA . 25786 1 245 . 1 1 21 21 LEU HB2 H 1 1.408 . . 2 . . . A 34 LEU HB2 . 25786 1 246 . 1 1 21 21 LEU HB3 H 1 1.54 . . 2 . . . A 34 LEU HB3 . 25786 1 247 . 1 1 21 21 LEU HD11 H 1 0.708 . . 2 . . . A 34 LEU HD11 . 25786 1 248 . 1 1 21 21 LEU HD12 H 1 0.708 . . 2 . . . A 34 LEU HD12 . 25786 1 249 . 1 1 21 21 LEU HD13 H 1 0.708 . . 2 . . . A 34 LEU HD13 . 25786 1 250 . 1 1 21 21 LEU HD21 H 1 0.802 . . 2 . . . A 34 LEU HD21 . 25786 1 251 . 1 1 21 21 LEU HD22 H 1 0.802 . . 2 . . . A 34 LEU HD22 . 25786 1 252 . 1 1 21 21 LEU HD23 H 1 0.802 . . 2 . . . A 34 LEU HD23 . 25786 1 253 . 1 1 21 21 LEU C C 13 176.521 . . 1 . . . A 34 LEU C . 25786 1 254 . 1 1 21 21 LEU CA C 13 53.079 . . 1 . . . A 34 LEU CA . 25786 1 255 . 1 1 21 21 LEU CB C 13 44.673 . . 1 . . . A 34 LEU CB . 25786 1 256 . 1 1 21 21 LEU CG C 13 26.865 . . 1 . . . A 34 LEU CG . 25786 1 257 . 1 1 21 21 LEU CD1 C 13 26.793 . . 2 . . . A 34 LEU CD1 . 25786 1 258 . 1 1 21 21 LEU CD2 C 13 22.457 . . 2 . . . A 34 LEU CD2 . 25786 1 259 . 1 1 21 21 LEU N N 15 117.139 . . 1 . . . A 34 LEU N . 25786 1 260 . 1 1 22 22 THR H H 1 8.001 . . 1 . . . A 35 THR H . 25786 1 261 . 1 1 22 22 THR HA H 1 4.803 . . 1 . . . A 35 THR HA . 25786 1 262 . 1 1 22 22 THR HB H 1 4.563 . . 1 . . . A 35 THR HB . 25786 1 263 . 1 1 22 22 THR HG21 H 1 1.254 . . 2 . . . A 35 THR HG21 . 25786 1 264 . 1 1 22 22 THR HG22 H 1 1.254 . . 2 . . . A 35 THR HG22 . 25786 1 265 . 1 1 22 22 THR HG23 H 1 1.254 . . 2 . . . A 35 THR HG23 . 25786 1 266 . 1 1 22 22 THR C C 13 174.438 . . 1 . . . A 35 THR C . 25786 1 267 . 1 1 22 22 THR CA C 13 59.445 . . 1 . . . A 35 THR CA . 25786 1 268 . 1 1 22 22 THR CB C 13 68.651 . . 1 . . . A 35 THR CB . 25786 1 269 . 1 1 22 22 THR CG2 C 13 21.746 . . 1 . . . A 35 THR CG2 . 25786 1 270 . 1 1 22 22 THR N N 15 110.751 . . 1 . . . A 35 THR N . 25786 1 271 . 1 1 23 23 PRO HA H 1 4.077 . . 1 . . . A 36 PRO HA . 25786 1 272 . 1 1 23 23 PRO HB2 H 1 2.378 . . 2 . . . A 36 PRO HB2 . 25786 1 273 . 1 1 23 23 PRO HB3 H 1 1.928 . . 2 . . . A 36 PRO HB3 . 25786 1 274 . 1 1 23 23 PRO HG2 H 1 2.016 . . 2 . . . A 36 PRO HG2 . 25786 1 275 . 1 1 23 23 PRO HG3 H 1 2.206 . . 2 . . . A 36 PRO HG3 . 25786 1 276 . 1 1 23 23 PRO HD2 H 1 3.87 . . 2 . . . A 36 PRO HD2 . 25786 1 277 . 1 1 23 23 PRO HD3 H 1 3.87 . . 2 . . . A 36 PRO HD3 . 25786 1 278 . 1 1 23 23 PRO CA C 13 65.645 . . 1 . . . A 36 PRO CA . 25786 1 279 . 1 1 23 23 PRO CB C 13 31.632 . . 1 . . . A 36 PRO CB . 25786 1 280 . 1 1 23 23 PRO CG C 13 28.311 . . 1 . . . A 36 PRO CG . 25786 1 281 . 1 1 23 23 PRO CD C 13 50.289 . . 1 . . . A 36 PRO CD . 25786 1 282 . 1 1 24 24 GLN H H 1 8.005 . . 1 . . . A 37 GLN H . 25786 1 283 . 1 1 24 24 GLN HA H 1 4.105 . . 1 . . . A 37 GLN HA . 25786 1 284 . 1 1 24 24 GLN HB2 H 1 2.039 . . 2 . . . A 37 GLN HB2 . 25786 1 285 . 1 1 24 24 GLN HB3 H 1 2.039 . . 2 . . . A 37 GLN HB3 . 25786 1 286 . 1 1 24 24 GLN HG2 H 1 2.382 . . 2 . . . A 37 GLN HG2 . 25786 1 287 . 1 1 24 24 GLN HG3 H 1 2.479 . . 2 . . . A 37 GLN HG3 . 25786 1 288 . 1 1 24 24 GLN C C 13 176.96 . . 1 . . . A 37 GLN C . 25786 1 289 . 1 1 24 24 GLN CA C 13 57.891 . . 1 . . . A 37 GLN CA . 25786 1 290 . 1 1 24 24 GLN CB C 13 27.902 . . 1 . . . A 37 GLN CB . 25786 1 291 . 1 1 24 24 GLN CG C 13 34.167 . . 1 . . . A 37 GLN CG . 25786 1 292 . 1 1 24 24 GLN N N 15 112.874 . . 1 . . . A 37 GLN N . 25786 1 293 . 1 1 25 25 GLN H H 1 7.663 . . 1 . . . A 38 GLN H . 25786 1 294 . 1 1 25 25 GLN HA H 1 4.187 . . 1 . . . A 38 GLN HA . 25786 1 295 . 1 1 25 25 GLN HB2 H 1 2.156 . . 2 . . . A 38 GLN HB2 . 25786 1 296 . 1 1 25 25 GLN HB3 H 1 2.156 . . 2 . . . A 38 GLN HB3 . 25786 1 297 . 1 1 25 25 GLN HG2 H 1 2.349 . . 2 . . . A 38 GLN HG2 . 25786 1 298 . 1 1 25 25 GLN HG3 H 1 2.349 . . 2 . . . A 38 GLN HG3 . 25786 1 299 . 1 1 25 25 GLN C C 13 175.508 . . 1 . . . A 38 GLN C . 25786 1 300 . 1 1 25 25 GLN CA C 13 56.398 . . 1 . . . A 38 GLN CA . 25786 1 301 . 1 1 25 25 GLN CB C 13 31.126 . . 1 . . . A 38 GLN CB . 25786 1 302 . 1 1 25 25 GLN CG C 13 34.803 . . 1 . . . A 38 GLN CG . 25786 1 303 . 1 1 25 25 GLN N N 15 116.477 . . 1 . . . A 38 GLN N . 25786 1 304 . 1 1 26 26 LEU H H 1 7.286 . . 1 . . . A 39 LEU H . 25786 1 305 . 1 1 26 26 LEU HA H 1 4.371 . . 1 . . . A 39 LEU HA . 25786 1 306 . 1 1 26 26 LEU HB2 H 1 1.719 . . 2 . . . A 39 LEU HB2 . 25786 1 307 . 1 1 26 26 LEU HB3 H 1 0.993 . . 2 . . . A 39 LEU HB3 . 25786 1 308 . 1 1 26 26 LEU HG H 1 1.259 . . 1 . . . A 39 LEU HG . 25786 1 309 . 1 1 26 26 LEU HD11 H 1 0.627 . . 2 . . . A 39 LEU HD11 . 25786 1 310 . 1 1 26 26 LEU HD12 H 1 0.627 . . 2 . . . A 39 LEU HD12 . 25786 1 311 . 1 1 26 26 LEU HD13 H 1 0.627 . . 2 . . . A 39 LEU HD13 . 25786 1 312 . 1 1 26 26 LEU HD21 H 1 0.64 . . 2 . . . A 39 LEU HD21 . 25786 1 313 . 1 1 26 26 LEU HD22 H 1 0.64 . . 2 . . . A 39 LEU HD22 . 25786 1 314 . 1 1 26 26 LEU HD23 H 1 0.64 . . 2 . . . A 39 LEU HD23 . 25786 1 315 . 1 1 26 26 LEU C C 13 174.277 . . 1 . . . A 39 LEU C . 25786 1 316 . 1 1 26 26 LEU CA C 13 53.959 . . 1 . . . A 39 LEU CA . 25786 1 317 . 1 1 26 26 LEU CB C 13 41.61 . . 1 . . . A 39 LEU CB . 25786 1 318 . 1 1 26 26 LEU CG C 13 26.798 . . 1 . . . A 39 LEU CG . 25786 1 319 . 1 1 26 26 LEU CD1 C 13 26.467 . . 2 . . . A 39 LEU CD1 . 25786 1 320 . 1 1 26 26 LEU CD2 C 13 22.953 . . 2 . . . A 39 LEU CD2 . 25786 1 321 . 1 1 26 26 LEU N N 15 120.726 . . 1 . . . A 39 LEU N . 25786 1 322 . 1 1 27 27 HIS H H 1 8.158 . . 1 . . . A 40 HIS H . 25786 1 323 . 1 1 27 27 HIS HA H 1 4.808 . . 1 . . . A 40 HIS HA . 25786 1 324 . 1 1 27 27 HIS HB2 H 1 3.16 . . 2 . . . A 40 HIS HB2 . 25786 1 325 . 1 1 27 27 HIS HB3 H 1 3.254 . . 2 . . . A 40 HIS HB3 . 25786 1 326 . 1 1 27 27 HIS HE1 H 1 8.106 . . 1 . . . A 40 HIS HE1 . 25786 1 327 . 1 1 27 27 HIS C C 13 176.727 . . 1 . . . A 40 HIS C . 25786 1 328 . 1 1 27 27 HIS CA C 13 54.762 . . 1 . . . A 40 HIS CA . 25786 1 329 . 1 1 27 27 HIS CB C 13 31.521 . . 1 . . . A 40 HIS CB . 25786 1 330 . 1 1 27 27 HIS CE1 C 13 137.409 . . 1 . . . A 40 HIS CE1 . 25786 1 331 . 1 1 27 27 HIS N N 15 124.68 . . 1 . . . A 40 HIS N . 25786 1 332 . 1 1 28 28 GLU HA H 1 4.029 . . 1 . . . A 41 GLU HA . 25786 1 333 . 1 1 28 28 GLU HB2 H 1 2.072 . . 2 . . . A 41 GLU HB2 . 25786 1 334 . 1 1 28 28 GLU HB3 H 1 2.072 . . 2 . . . A 41 GLU HB3 . 25786 1 335 . 1 1 28 28 GLU HG2 H 1 2.345 . . 2 . . . A 41 GLU HG2 . 25786 1 336 . 1 1 28 28 GLU HG3 H 1 2.345 . . 2 . . . A 41 GLU HG3 . 25786 1 337 . 1 1 29 29 GLU H H 1 8.808 . . 1 . . . A 42 GLU H . 25786 1 338 . 1 1 29 29 GLU HA H 1 4.547 . . 1 . . . A 42 GLU HA . 25786 1 339 . 1 1 29 29 GLU HB2 H 1 2.296 . . 2 . . . A 42 GLU HB2 . 25786 1 340 . 1 1 29 29 GLU HB3 H 1 1.909 . . 2 . . . A 42 GLU HB3 . 25786 1 341 . 1 1 29 29 GLU HG2 H 1 2.205 . . 2 . . . A 42 GLU HG2 . 25786 1 342 . 1 1 29 29 GLU HG3 H 1 2.205 . . 2 . . . A 42 GLU HG3 . 25786 1 343 . 1 1 29 29 GLU C C 13 176.68 . . 1 . . . A 42 GLU C . 25786 1 344 . 1 1 29 29 GLU CA C 13 55.313 . . 1 . . . A 42 GLU CA . 25786 1 345 . 1 1 29 29 GLU CB C 13 29.165 . . 1 . . . A 42 GLU CB . 25786 1 346 . 1 1 29 29 GLU CG C 13 36.154 . . 1 . . . A 42 GLU CG . 25786 1 347 . 1 1 29 29 GLU N N 15 113.813 . . 1 . . . A 42 GLU N . 25786 1 348 . 1 1 30 30 SER H H 1 7.485 . . 1 . . . A 43 SER H . 25786 1 349 . 1 1 30 30 SER HA H 1 4.088 . . 1 . . . A 43 SER HA . 25786 1 350 . 1 1 30 30 SER HB2 H 1 3.641 . . 2 . . . A 43 SER HB2 . 25786 1 351 . 1 1 30 30 SER HB3 H 1 3.713 . . 2 . . . A 43 SER HB3 . 25786 1 352 . 1 1 30 30 SER C C 13 173.663 . . 1 . . . A 43 SER C . 25786 1 353 . 1 1 30 30 SER CA C 13 60.156 . . 1 . . . A 43 SER CA . 25786 1 354 . 1 1 30 30 SER CB C 13 62.827 . . 1 . . . A 43 SER CB . 25786 1 355 . 1 1 30 30 SER N N 15 118.066 . . 1 . . . A 43 SER N . 25786 1 356 . 1 1 31 31 ASN H H 1 8.811 . . 1 . . . A 44 ASN H . 25786 1 357 . 1 1 31 31 ASN HA H 1 4.392 . . 1 . . . A 44 ASN HA . 25786 1 358 . 1 1 31 31 ASN HB2 H 1 2.721 . . 2 . . . A 44 ASN HB2 . 25786 1 359 . 1 1 31 31 ASN HB3 H 1 2.816 . . 2 . . . A 44 ASN HB3 . 25786 1 360 . 1 1 31 31 ASN C C 13 176.926 . . 1 . . . A 44 ASN C . 25786 1 361 . 1 1 31 31 ASN CA C 13 53.987 . . 1 . . . A 44 ASN CA . 25786 1 362 . 1 1 31 31 ASN CB C 13 38.433 . . 1 . . . A 44 ASN CB . 25786 1 363 . 1 1 31 31 ASN N N 15 123.218 . . 1 . . . A 44 ASN N . 25786 1 364 . 1 1 32 32 LEU H H 1 9.385 . . 1 . . . A 45 LEU H . 25786 1 365 . 1 1 32 32 LEU HA H 1 3.722 . . 1 . . . A 45 LEU HA . 25786 1 366 . 1 1 32 32 LEU HB2 H 1 1.018 . . 2 . . . A 45 LEU HB2 . 25786 1 367 . 1 1 32 32 LEU HB3 H 1 1.07 . . 2 . . . A 45 LEU HB3 . 25786 1 368 . 1 1 32 32 LEU HG H 1 1.368 . . 1 . . . A 45 LEU HG . 25786 1 369 . 1 1 32 32 LEU HD11 H 1 0.397 . . 2 . . . A 45 LEU HD11 . 25786 1 370 . 1 1 32 32 LEU HD12 H 1 0.397 . . 2 . . . A 45 LEU HD12 . 25786 1 371 . 1 1 32 32 LEU HD13 H 1 0.397 . . 2 . . . A 45 LEU HD13 . 25786 1 372 . 1 1 32 32 LEU HD21 H 1 -0.631 . . 2 . . . A 45 LEU HD21 . 25786 1 373 . 1 1 32 32 LEU HD22 H 1 -0.631 . . 2 . . . A 45 LEU HD22 . 25786 1 374 . 1 1 32 32 LEU HD23 H 1 -0.631 . . 2 . . . A 45 LEU HD23 . 25786 1 375 . 1 1 32 32 LEU C C 13 178.143 . . 1 . . . A 45 LEU C . 25786 1 376 . 1 1 32 32 LEU CA C 13 57.149 . . 1 . . . A 45 LEU CA . 25786 1 377 . 1 1 32 32 LEU CB C 13 42.25 . . 1 . . . A 45 LEU CB . 25786 1 378 . 1 1 32 32 LEU CG C 13 26.677 . . 1 . . . A 45 LEU CG . 25786 1 379 . 1 1 32 32 LEU CD1 C 13 22.644 . . 2 . . . A 45 LEU CD1 . 25786 1 380 . 1 1 32 32 LEU CD2 C 13 23.644 . . 2 . . . A 45 LEU CD2 . 25786 1 381 . 1 1 32 32 LEU N N 15 128.735 . . 1 . . . A 45 LEU N . 25786 1 382 . 1 1 33 33 ILE H H 1 7.659 . . 1 . . . A 46 ILE H . 25786 1 383 . 1 1 33 33 ILE HA H 1 4.187 . . 1 . . . A 46 ILE HA . 25786 1 384 . 1 1 33 33 ILE HB H 1 2.211 . . 1 . . . A 46 ILE HB . 25786 1 385 . 1 1 33 33 ILE HG12 H 1 1.371 . . 2 . . . A 46 ILE HG12 . 25786 1 386 . 1 1 33 33 ILE HG13 H 1 1.557 . . 2 . . . A 46 ILE HG13 . 25786 1 387 . 1 1 33 33 ILE HG21 H 1 0.984 . . 2 . . . A 46 ILE HG21 . 25786 1 388 . 1 1 33 33 ILE HG22 H 1 0.984 . . 2 . . . A 46 ILE HG22 . 25786 1 389 . 1 1 33 33 ILE HG23 H 1 0.984 . . 2 . . . A 46 ILE HG23 . 25786 1 390 . 1 1 33 33 ILE HD11 H 1 0.879 . . 2 . . . A 46 ILE HD11 . 25786 1 391 . 1 1 33 33 ILE HD12 H 1 0.879 . . 2 . . . A 46 ILE HD12 . 25786 1 392 . 1 1 33 33 ILE HD13 H 1 0.879 . . 2 . . . A 46 ILE HD13 . 25786 1 393 . 1 1 33 33 ILE C C 13 180.926 . . 1 . . . A 46 ILE C . 25786 1 394 . 1 1 33 33 ILE CA C 13 63.814 . . 1 . . . A 46 ILE CA . 25786 1 395 . 1 1 33 33 ILE CB C 13 36.709 . . 1 . . . A 46 ILE CB . 25786 1 396 . 1 1 33 33 ILE CG1 C 13 28.02 . . 1 . . . A 46 ILE CG1 . 25786 1 397 . 1 1 33 33 ILE CG2 C 13 16.768 . . 1 . . . A 46 ILE CG2 . 25786 1 398 . 1 1 33 33 ILE CD1 C 13 12.594 . . 1 . . . A 46 ILE CD1 . 25786 1 399 . 1 1 33 33 ILE N N 15 119.379 . . 1 . . . A 46 ILE N . 25786 1 400 . 1 1 34 34 GLN H H 1 8.161 . . 1 . . . A 47 GLN H . 25786 1 401 . 1 1 34 34 GLN HA H 1 3.989 . . 1 . . . A 47 GLN HA . 25786 1 402 . 1 1 34 34 GLN HB2 H 1 2.144 . . 2 . . . A 47 GLN HB2 . 25786 1 403 . 1 1 34 34 GLN HB3 H 1 1.948 . . 2 . . . A 47 GLN HB3 . 25786 1 404 . 1 1 34 34 GLN HG2 H 1 2.385 . . 2 . . . A 47 GLN HG2 . 25786 1 405 . 1 1 34 34 GLN HG3 H 1 2.385 . . 2 . . . A 47 GLN HG3 . 25786 1 406 . 1 1 34 34 GLN C C 13 177.739 . . 1 . . . A 47 GLN C . 25786 1 407 . 1 1 34 34 GLN CA C 13 58.033 . . 1 . . . A 47 GLN CA . 25786 1 408 . 1 1 34 34 GLN CB C 13 27.985 . . 1 . . . A 47 GLN CB . 25786 1 409 . 1 1 34 34 GLN CG C 13 33.839 . . 1 . . . A 47 GLN CG . 25786 1 410 . 1 1 34 34 GLN N N 15 121.737 . . 1 . . . A 47 GLN N . 25786 1 411 . 1 1 35 35 ALA H H 1 7.448 . . 1 . . . A 48 ALA H . 25786 1 412 . 1 1 35 35 ALA HA H 1 4.26 . . 1 . . . A 48 ALA HA . 25786 1 413 . 1 1 35 35 ALA HB1 H 1 1.403 . . 2 . . . A 48 ALA HB1 . 25786 1 414 . 1 1 35 35 ALA HB2 H 1 1.403 . . 2 . . . A 48 ALA HB2 . 25786 1 415 . 1 1 35 35 ALA HB3 H 1 1.403 . . 2 . . . A 48 ALA HB3 . 25786 1 416 . 1 1 35 35 ALA C C 13 176.582 . . 1 . . . A 48 ALA C . 25786 1 417 . 1 1 35 35 ALA CA C 13 52.71 . . 1 . . . A 48 ALA CA . 25786 1 418 . 1 1 35 35 ALA CB C 13 18.601 . . 1 . . . A 48 ALA CB . 25786 1 419 . 1 1 35 35 ALA N N 15 117.777 . . 1 . . . A 48 ALA N . 25786 1 420 . 1 1 36 36 GLY H H 1 7.445 . . 1 . . . A 49 GLY H . 25786 1 421 . 1 1 36 36 GLY HA2 H 1 3.683 . . 2 . . . A 49 GLY HA2 . 25786 1 422 . 1 1 36 36 GLY HA3 H 1 4.551 . . 2 . . . A 49 GLY HA3 . 25786 1 423 . 1 1 36 36 GLY C C 13 174.451 . . 1 . . . A 49 GLY C . 25786 1 424 . 1 1 36 36 GLY CA C 13 44.967 . . 1 . . . A 49 GLY CA . 25786 1 425 . 1 1 36 36 GLY N N 15 102.932 . . 1 . . . A 49 GLY N . 25786 1 426 . 1 1 37 37 LEU H H 1 8.545 . . 1 . . . A 50 LEU H . 25786 1 427 . 1 1 37 37 LEU HA H 1 4.257 . . 1 . . . A 50 LEU HA . 25786 1 428 . 1 1 37 37 LEU HB2 H 1 1.452 . . 2 . . . A 50 LEU HB2 . 25786 1 429 . 1 1 37 37 LEU HB3 H 1 1.677 . . 2 . . . A 50 LEU HB3 . 25786 1 430 . 1 1 37 37 LEU HD11 H 1 0.917 . . 2 . . . A 50 LEU HD11 . 25786 1 431 . 1 1 37 37 LEU HD12 H 1 0.917 . . 2 . . . A 50 LEU HD12 . 25786 1 432 . 1 1 37 37 LEU HD13 H 1 0.917 . . 2 . . . A 50 LEU HD13 . 25786 1 433 . 1 1 37 37 LEU HD21 H 1 0.832 . . 2 . . . A 50 LEU HD21 . 25786 1 434 . 1 1 37 37 LEU HD22 H 1 0.832 . . 2 . . . A 50 LEU HD22 . 25786 1 435 . 1 1 37 37 LEU HD23 H 1 0.832 . . 2 . . . A 50 LEU HD23 . 25786 1 436 . 1 1 37 37 LEU C C 13 173.46 . . 1 . . . A 50 LEU C . 25786 1 437 . 1 1 37 37 LEU CA C 13 55.909 . . 1 . . . A 50 LEU CA . 25786 1 438 . 1 1 37 37 LEU CB C 13 41.454 . . 1 . . . A 50 LEU CB . 25786 1 439 . 1 1 37 37 LEU CD1 C 13 25.838 . . 2 . . . A 50 LEU CD1 . 25786 1 440 . 1 1 37 37 LEU CD2 C 13 26.681 . . 2 . . . A 50 LEU CD2 . 25786 1 441 . 1 1 37 37 LEU N N 15 123.058 . . 1 . . . A 50 LEU N . 25786 1 442 . 1 1 38 38 ASP H H 1 7.411 . . 1 . . . A 51 ASP H . 25786 1 443 . 1 1 38 38 ASP HA H 1 4.83 . . 1 . . . A 51 ASP HA . 25786 1 444 . 1 1 38 38 ASP HB2 H 1 2.792 . . 2 . . . A 51 ASP HB2 . 25786 1 445 . 1 1 38 38 ASP HB3 H 1 3.24 . . 2 . . . A 51 ASP HB3 . 25786 1 446 . 1 1 38 38 ASP C C 13 176.212 . . 1 . . . A 51 ASP C . 25786 1 447 . 1 1 38 38 ASP CA C 13 52.325 . . 1 . . . A 51 ASP CA . 25786 1 448 . 1 1 38 38 ASP CB C 13 42.256 . . 1 . . . A 51 ASP CB . 25786 1 449 . 1 1 38 38 ASP N N 15 123.238 . . 1 . . . A 51 ASP N . 25786 1 450 . 1 1 39 39 4HH C C 13 175.8 . . 1 . . . A 52 4HH C . 25786 1 451 . 1 1 39 39 4HH CA C 13 61.016 . . 1 . . . A 52 4HH CA . 25786 1 452 . 1 1 39 39 4HH CB C 13 65.748 . . 1 . . . A 52 4HH CB . 25786 1 453 . 1 1 39 39 4HH CJ C 13 74.026 . . 1 . . . A 52 4HH CJ . 25786 1 454 . 1 1 39 39 4HH CL1 C 13 23.595 . . 2 . . . A 52 4HH CL1 . 25786 1 455 . 1 1 39 39 4HH CL2 C 13 21.384 . . 2 . . . A 52 4HH CL2 . 25786 1 456 . 1 1 39 39 4HH CL3 C 13 76.726 . . 1 . . . A 52 4HH CL3 . 25786 1 457 . 1 1 39 39 4HH CM C 13 177.316 . . 1 . . . A 52 4HH CM . 25786 1 458 . 1 1 39 39 4HH CO C 13 38.076 . . 1 . . . A 52 4HH CO . 25786 1 459 . 1 1 39 39 4HH CP C 13 38.169 . . 1 . . . A 52 4HH CP . 25786 1 460 . 1 1 39 39 4HH CQ C 13 176.551 . . 1 . . . A 52 4HH CQ . 25786 1 461 . 1 1 39 39 4HH CS C 13 45.084 . . 1 . . . A 52 4HH CS . 25786 1 462 . 1 1 39 39 4HH CT C 13 26.012 . . 1 . . . A 52 4HH CT . 25786 1 463 . 1 1 39 39 4HH H H 1 9.001 . . 1 . . . A 52 4HH H . 25786 1 464 . 1 1 39 39 4HH HA H 1 4.265 . . 1 . . . A 52 4HH HA . 25786 1 465 . 1 1 39 39 4HH HB2 H 1 4.214 . . 2 . . . A 52 4HH HB2 . 25786 1 466 . 1 1 39 39 4HH HB3 H 1 4.257 . . 2 . . . A 52 4HH HB3 . 25786 1 467 . 1 1 39 39 4HH HJ2 H 1 3.374 . . 2 . . . A 52 4HH HJ2 . 25786 1 468 . 1 1 39 39 4HH HJ3 H 1 3.763 . . 2 . . . A 52 4HH HJ3 . 25786 1 469 . 1 1 39 39 4HH HL1 H 1 0.881 . . 2 . . . A 52 4HH HL1 . 25786 1 470 . 1 1 39 39 4HH HL2 H 1 0.798 . . 2 . . . A 52 4HH HL2 . 25786 1 471 . 1 1 39 39 4HH HL3 H 1 3.993 . . 1 . . . A 52 4HH HL3 . 25786 1 472 . 1 1 39 39 4HH HN H 1 7.957 . . 1 . . . A 52 4HH HN . 25786 1 473 . 1 1 39 39 4HH HO H 1 3.459 . . 1 . . . A 52 4HH HO . 25786 1 474 . 1 1 39 39 4HH HP H 1 2.455 . . 1 . . . A 52 4HH HP . 25786 1 475 . 1 1 39 39 4HH HR H 1 8.130 . . 1 . . . A 52 4HH HR . 25786 1 476 . 1 1 39 39 4HH HS H 1 3.275 . . 1 . . . A 52 4HH HS . 25786 1 477 . 1 1 39 39 4HH HT H 1 2.558 . . 1 . . . A 52 4HH HT . 25786 1 478 . 1 1 39 39 4HH N N 15 113.44 . . 1 . . . A 52 4HH N . 25786 1 479 . 1 1 39 39 4HH NN N 15 120.014 . . 1 . . . A 52 4HH NN . 25786 1 480 . 1 1 39 39 4HH NR N 15 124.573 . . 1 . . . A 52 4HH NR . 25786 1 481 . 1 1 40 40 ILE H H 1 7.799 . . 1 . . . A 53 ILE H . 25786 1 482 . 1 1 40 40 ILE HA H 1 3.876 . . 1 . . . A 53 ILE HA . 25786 1 483 . 1 1 40 40 ILE HB H 1 2.142 . . 1 . . . A 53 ILE HB . 25786 1 484 . 1 1 40 40 ILE HG12 H 1 1.676 . . 2 . . . A 53 ILE HG12 . 25786 1 485 . 1 1 40 40 ILE HG13 H 1 1.273 . . 2 . . . A 53 ILE HG13 . 25786 1 486 . 1 1 40 40 ILE HG21 H 1 0.924 . . 2 . . . A 53 ILE HG21 . 25786 1 487 . 1 1 40 40 ILE HG22 H 1 0.924 . . 2 . . . A 53 ILE HG22 . 25786 1 488 . 1 1 40 40 ILE HG23 H 1 0.924 . . 2 . . . A 53 ILE HG23 . 25786 1 489 . 1 1 40 40 ILE HD11 H 1 0.923 . . 2 . . . A 53 ILE HD11 . 25786 1 490 . 1 1 40 40 ILE HD12 H 1 0.923 . . 2 . . . A 53 ILE HD12 . 25786 1 491 . 1 1 40 40 ILE HD13 H 1 0.923 . . 2 . . . A 53 ILE HD13 . 25786 1 492 . 1 1 40 40 ILE C C 13 179.241 . . 1 . . . A 53 ILE C . 25786 1 493 . 1 1 40 40 ILE CA C 13 64.432 . . 1 . . . A 53 ILE CA . 25786 1 494 . 1 1 40 40 ILE CB C 13 37.154 . . 1 . . . A 53 ILE CB . 25786 1 495 . 1 1 40 40 ILE CG1 C 13 28.91 . . 1 . . . A 53 ILE CG1 . 25786 1 496 . 1 1 40 40 ILE CG2 C 13 17.301 . . 1 . . . A 53 ILE CG2 . 25786 1 497 . 1 1 40 40 ILE CD1 C 13 12.459 . . 1 . . . A 53 ILE CD1 . 25786 1 498 . 1 1 40 40 ILE N N 15 123.207 . . 1 . . . A 53 ILE N . 25786 1 499 . 1 1 41 41 ARG H H 1 8.412 . . 1 . . . A 54 ARG H . 25786 1 500 . 1 1 41 41 ARG HA H 1 4.088 . . 1 . . . A 54 ARG HA . 25786 1 501 . 1 1 41 41 ARG HB2 H 1 2.057 . . 2 . . . A 54 ARG HB2 . 25786 1 502 . 1 1 41 41 ARG HB3 H 1 1.967 . . 2 . . . A 54 ARG HB3 . 25786 1 503 . 1 1 41 41 ARG HG2 H 1 1.757 . . 2 . . . A 54 ARG HG2 . 25786 1 504 . 1 1 41 41 ARG HG3 H 1 2.135 . . 2 . . . A 54 ARG HG3 . 25786 1 505 . 1 1 41 41 ARG HD2 H 1 3.293 . . 2 . . . A 54 ARG HD2 . 25786 1 506 . 1 1 41 41 ARG HD3 H 1 3.293 . . 2 . . . A 54 ARG HD3 . 25786 1 507 . 1 1 41 41 ARG C C 13 179.647 . . 1 . . . A 54 ARG C . 25786 1 508 . 1 1 41 41 ARG CA C 13 59.615 . . 1 . . . A 54 ARG CA . 25786 1 509 . 1 1 41 41 ARG CB C 13 30.633 . . 1 . . . A 54 ARG CB . 25786 1 510 . 1 1 41 41 ARG CG C 13 28.908 . . 1 . . . A 54 ARG CG . 25786 1 511 . 1 1 41 41 ARG CD C 13 43.436 . . 1 . . . A 54 ARG CD . 25786 1 512 . 1 1 41 41 ARG N N 15 121.407 . . 1 . . . A 54 ARG N . 25786 1 513 . 1 1 42 42 LEU H H 1 9.05 . . 1 . . . A 55 LEU H . 25786 1 514 . 1 1 42 42 LEU HA H 1 4.332 . . 1 . . . A 55 LEU HA . 25786 1 515 . 1 1 42 42 LEU HB2 H 1 1.837 . . 2 . . . A 55 LEU HB2 . 25786 1 516 . 1 1 42 42 LEU HB3 H 1 1.714 . . 2 . . . A 55 LEU HB3 . 25786 1 517 . 1 1 42 42 LEU HD11 H 1 0.917 . . 2 . . . A 55 LEU HD11 . 25786 1 518 . 1 1 42 42 LEU HD12 H 1 0.917 . . 2 . . . A 55 LEU HD12 . 25786 1 519 . 1 1 42 42 LEU HD13 H 1 0.917 . . 2 . . . A 55 LEU HD13 . 25786 1 520 . 1 1 42 42 LEU HD21 H 1 0.849 . . 2 . . . A 55 LEU HD21 . 25786 1 521 . 1 1 42 42 LEU HD22 H 1 0.849 . . 2 . . . A 55 LEU HD22 . 25786 1 522 . 1 1 42 42 LEU HD23 H 1 0.849 . . 2 . . . A 55 LEU HD23 . 25786 1 523 . 1 1 42 42 LEU C C 13 178.416 . . 1 . . . A 55 LEU C . 25786 1 524 . 1 1 42 42 LEU CA C 13 59.035 . . 1 . . . A 55 LEU CA . 25786 1 525 . 1 1 42 42 LEU CB C 13 41.718 . . 1 . . . A 55 LEU CB . 25786 1 526 . 1 1 42 42 LEU CG C 13 27.968 . . 1 . . . A 55 LEU CG . 25786 1 527 . 1 1 42 42 LEU CD1 C 13 25.54 . . 2 . . . A 55 LEU CD1 . 25786 1 528 . 1 1 42 42 LEU CD2 C 13 25.139 . . 2 . . . A 55 LEU CD2 . 25786 1 529 . 1 1 42 42 LEU N N 15 121.118 . . 1 . . . A 55 LEU N . 25786 1 530 . 1 1 43 43 MET H H 1 7.875 . . 1 . . . A 56 MET H . 25786 1 531 . 1 1 43 43 MET HA H 1 4.284 . . 1 . . . A 56 MET HA . 25786 1 532 . 1 1 43 43 MET HB2 H 1 2.276 . . 2 . . . A 56 MET HB2 . 25786 1 533 . 1 1 43 43 MET HB3 H 1 2.226 . . 2 . . . A 56 MET HB3 . 25786 1 534 . 1 1 43 43 MET HG2 H 1 2.698 . . 2 . . . A 56 MET HG2 . 25786 1 535 . 1 1 43 43 MET HG3 H 1 2.698 . . 2 . . . A 56 MET HG3 . 25786 1 536 . 1 1 43 43 MET HE1 H 1 2.136 . . 2 . . . A 56 MET HE1 . 25786 1 537 . 1 1 43 43 MET HE2 H 1 2.136 . . 2 . . . A 56 MET HE2 . 25786 1 538 . 1 1 43 43 MET HE3 H 1 2.136 . . 2 . . . A 56 MET HE3 . 25786 1 539 . 1 1 43 43 MET C C 13 178.301 . . 1 . . . A 56 MET C . 25786 1 540 . 1 1 43 43 MET CA C 13 57.927 . . 1 . . . A 56 MET CA . 25786 1 541 . 1 1 43 43 MET CB C 13 31.317 . . 1 . . . A 56 MET CB . 25786 1 542 . 1 1 43 43 MET CG C 13 32.369 . . 1 . . . A 56 MET CG . 25786 1 543 . 1 1 43 43 MET CE C 13 17.028 . . 1 . . . A 56 MET CE . 25786 1 544 . 1 1 43 43 MET N N 15 117.969 . . 1 . . . A 56 MET N . 25786 1 545 . 1 1 44 44 ARG H H 1 7.609 . . 1 . . . A 57 ARG H . 25786 1 546 . 1 1 44 44 ARG HA H 1 4.096 . . 1 . . . A 57 ARG HA . 25786 1 547 . 1 1 44 44 ARG HB2 H 1 1.776 . . 2 . . . A 57 ARG HB2 . 25786 1 548 . 1 1 44 44 ARG HB3 H 1 1.892 . . 2 . . . A 57 ARG HB3 . 25786 1 549 . 1 1 44 44 ARG HG2 H 1 1.472 . . 2 . . . A 57 ARG HG2 . 25786 1 550 . 1 1 44 44 ARG HG3 H 1 1.472 . . 2 . . . A 57 ARG HG3 . 25786 1 551 . 1 1 44 44 ARG HD2 H 1 3.022 . . 2 . . . A 57 ARG HD2 . 25786 1 552 . 1 1 44 44 ARG HD3 H 1 3.022 . . 2 . . . A 57 ARG HD3 . 25786 1 553 . 1 1 44 44 ARG C C 13 180.458 . . 1 . . . A 57 ARG C . 25786 1 554 . 1 1 44 44 ARG CA C 13 59.77 . . 1 . . . A 57 ARG CA . 25786 1 555 . 1 1 44 44 ARG CB C 13 29.52 . . 1 . . . A 57 ARG CB . 25786 1 556 . 1 1 44 44 ARG CG C 13 27.597 . . 1 . . . A 57 ARG CG . 25786 1 557 . 1 1 44 44 ARG CD C 13 43.29 . . 1 . . . A 57 ARG CD . 25786 1 558 . 1 1 44 44 ARG N N 15 119.532 . . 1 . . . A 57 ARG N . 25786 1 559 . 1 1 45 45 TRP H H 1 8.207 . . 1 . . . A 58 TRP H . 25786 1 560 . 1 1 45 45 TRP HA H 1 4.465 . . 1 . . . A 58 TRP HA . 25786 1 561 . 1 1 45 45 TRP HB2 H 1 3.249 . . 2 . . . A 58 TRP HB2 . 25786 1 562 . 1 1 45 45 TRP HB3 H 1 3.463 . . 2 . . . A 58 TRP HB3 . 25786 1 563 . 1 1 45 45 TRP HD1 H 1 7.173 . . 1 . . . A 58 TRP HD1 . 25786 1 564 . 1 1 45 45 TRP HE1 H 1 11.047 . . 1 . . . A 58 TRP HE1 . 25786 1 565 . 1 1 45 45 TRP HZ2 H 1 6.892 . . 1 . . . A 58 TRP HZ2 . 25786 1 566 . 1 1 45 45 TRP HH2 H 1 6.497 . . 1 . . . A 58 TRP HH2 . 25786 1 567 . 1 1 45 45 TRP C C 13 177.973 . . 1 . . . A 58 TRP C . 25786 1 568 . 1 1 45 45 TRP CA C 13 61.063 . . 1 . . . A 58 TRP CA . 25786 1 569 . 1 1 45 45 TRP CB C 13 28.348 . . 1 . . . A 58 TRP CB . 25786 1 570 . 1 1 45 45 TRP CD1 C 13 126.072 . . 1 . . . A 58 TRP CD1 . 25786 1 571 . 1 1 45 45 TRP CZ2 C 13 114.081 . . 1 . . . A 58 TRP CZ2 . 25786 1 572 . 1 1 45 45 TRP CH2 C 13 123.433 . . 1 . . . A 58 TRP CH2 . 25786 1 573 . 1 1 45 45 TRP N N 15 121.82 . . 1 . . . A 58 TRP N . 25786 1 574 . 1 1 45 45 TRP NE1 N 15 131.242 . . 1 . . . A 58 TRP NE1 . 25786 1 575 . 1 1 46 46 LEU H H 1 8.599 . . 1 . . . A 59 LEU H . 25786 1 576 . 1 1 46 46 LEU HA H 1 4.274 . . 1 . . . A 59 LEU HA . 25786 1 577 . 1 1 46 46 LEU HB2 H 1 2.322 . . 2 . . . A 59 LEU HB2 . 25786 1 578 . 1 1 46 46 LEU HB3 H 1 1.493 . . 2 . . . A 59 LEU HB3 . 25786 1 579 . 1 1 46 46 LEU HG H 1 1.564 . . 1 . . . A 59 LEU HG . 25786 1 580 . 1 1 46 46 LEU HD11 H 1 0.782 . . 2 . . . A 59 LEU HD11 . 25786 1 581 . 1 1 46 46 LEU HD12 H 1 0.782 . . 2 . . . A 59 LEU HD12 . 25786 1 582 . 1 1 46 46 LEU HD13 H 1 0.782 . . 2 . . . A 59 LEU HD13 . 25786 1 583 . 1 1 46 46 LEU HD21 H 1 0.988 . . 2 . . . A 59 LEU HD21 . 25786 1 584 . 1 1 46 46 LEU HD22 H 1 0.988 . . 2 . . . A 59 LEU HD22 . 25786 1 585 . 1 1 46 46 LEU HD23 H 1 0.988 . . 2 . . . A 59 LEU HD23 . 25786 1 586 . 1 1 46 46 LEU C C 13 178.823 . . 1 . . . A 59 LEU C . 25786 1 587 . 1 1 46 46 LEU CA C 13 59.044 . . 1 . . . A 59 LEU CA . 25786 1 588 . 1 1 46 46 LEU CB C 13 40.851 . . 1 . . . A 59 LEU CB . 25786 1 589 . 1 1 46 46 LEU CD1 C 13 23.472 . . 2 . . . A 59 LEU CD1 . 25786 1 590 . 1 1 46 46 LEU CD2 C 13 25.843 . . 2 . . . A 59 LEU CD2 . 25786 1 591 . 1 1 46 46 LEU N N 15 121.654 . . 1 . . . A 59 LEU N . 25786 1 592 . 1 1 47 47 HIS H H 1 7.909 . . 1 . . . A 60 HIS H . 25786 1 593 . 1 1 47 47 HIS HA H 1 4.389 . . 1 . . . A 60 HIS HA . 25786 1 594 . 1 1 47 47 HIS HB2 H 1 3.273 . . 2 . . . A 60 HIS HB2 . 25786 1 595 . 1 1 47 47 HIS HB3 H 1 3.273 . . 2 . . . A 60 HIS HB3 . 25786 1 596 . 1 1 47 47 HIS HD2 H 1 7.11 . . 1 . . . A 60 HIS HD2 . 25786 1 597 . 1 1 47 47 HIS C C 13 177.635 . . 1 . . . A 60 HIS C . 25786 1 598 . 1 1 47 47 HIS CA C 13 59.755 . . 1 . . . A 60 HIS CA . 25786 1 599 . 1 1 47 47 HIS CB C 13 30.083 . . 1 . . . A 60 HIS CB . 25786 1 600 . 1 1 47 47 HIS CD2 C 13 119.426 . . 1 . . . A 60 HIS CD2 . 25786 1 601 . 1 1 47 47 HIS N N 15 116.952 . . 1 . . . A 60 HIS N . 25786 1 602 . 1 1 48 48 TRP H H 1 8.142 . . 1 . . . A 61 TRP H . 25786 1 603 . 1 1 48 48 TRP HA H 1 4.032 . . 1 . . . A 61 TRP HA . 25786 1 604 . 1 1 48 48 TRP HB2 H 1 3.005 . . 2 . . . A 61 TRP HB2 . 25786 1 605 . 1 1 48 48 TRP HB3 H 1 3.724 . . 2 . . . A 61 TRP HB3 . 25786 1 606 . 1 1 48 48 TRP HD1 H 1 7.104 . . 1 . . . A 61 TRP HD1 . 25786 1 607 . 1 1 48 48 TRP HE1 H 1 9.936 . . 1 . . . A 61 TRP HE1 . 25786 1 608 . 1 1 48 48 TRP HE3 H 1 6.648 . . 1 . . . A 61 TRP HE3 . 25786 1 609 . 1 1 48 48 TRP HZ2 H 1 7.339 . . 1 . . . A 61 TRP HZ2 . 25786 1 610 . 1 1 48 48 TRP HZ3 H 1 6.431 . . 1 . . . A 61 TRP HZ3 . 25786 1 611 . 1 1 48 48 TRP HH2 H 1 7.092 . . 1 . . . A 61 TRP HH2 . 25786 1 612 . 1 1 48 48 TRP C C 13 179.298 . . 1 . . . A 61 TRP C . 25786 1 613 . 1 1 48 48 TRP CA C 13 62.541 . . 1 . . . A 61 TRP CA . 25786 1 614 . 1 1 48 48 TRP CB C 13 28.839 . . 1 . . . A 61 TRP CB . 25786 1 615 . 1 1 48 48 TRP CD1 C 13 126.577 . . 1 . . . A 61 TRP CD1 . 25786 1 616 . 1 1 48 48 TRP CE3 C 13 120.243 . . 1 . . . A 61 TRP CE3 . 25786 1 617 . 1 1 48 48 TRP CZ2 C 13 113.508 . . 1 . . . A 61 TRP CZ2 . 25786 1 618 . 1 1 48 48 TRP CZ3 C 13 122.068 . . 1 . . . A 61 TRP CZ3 . 25786 1 619 . 1 1 48 48 TRP CH2 C 13 124.097 . . 1 . . . A 61 TRP CH2 . 25786 1 620 . 1 1 48 48 TRP N N 15 123.194 . . 1 . . . A 61 TRP N . 25786 1 621 . 1 1 48 48 TRP NE1 N 15 128.398 . . 1 . . . A 61 TRP NE1 . 25786 1 622 . 1 1 49 49 PHE H H 1 9.447 . . 1 . . . A 62 PHE H . 25786 1 623 . 1 1 49 49 PHE HA H 1 4.205 . . 1 . . . A 62 PHE HA . 25786 1 624 . 1 1 49 49 PHE HB2 H 1 3.29 . . 2 . . . A 62 PHE HB2 . 25786 1 625 . 1 1 49 49 PHE HB3 H 1 3.368 . . 2 . . . A 62 PHE HB3 . 25786 1 626 . 1 1 49 49 PHE HD1 H 1 7.2 . . 3 . . . A 62 PHE HD1 . 25786 1 627 . 1 1 49 49 PHE HD2 H 1 7.2 . . 3 . . . A 62 PHE HD2 . 25786 1 628 . 1 1 49 49 PHE HE1 H 1 6.893 . . 3 . . . A 62 PHE HE1 . 25786 1 629 . 1 1 49 49 PHE HE2 H 1 6.893 . . 3 . . . A 62 PHE HE2 . 25786 1 630 . 1 1 49 49 PHE HZ H 1 7.008 . . 1 . . . A 62 PHE HZ . 25786 1 631 . 1 1 49 49 PHE C C 13 179.08 . . 1 . . . A 62 PHE C . 25786 1 632 . 1 1 49 49 PHE CA C 13 63.629 . . 1 . . . A 62 PHE CA . 25786 1 633 . 1 1 49 49 PHE CB C 13 38.664 . . 1 . . . A 62 PHE CB . 25786 1 634 . 1 1 49 49 PHE CD1 C 13 131.994 . . 3 . . . A 62 PHE CD1 . 25786 1 635 . 1 1 49 49 PHE CD2 C 13 131.994 . . 3 . . . A 62 PHE CD2 . 25786 1 636 . 1 1 49 49 PHE CE1 C 13 131.336 . . 3 . . . A 62 PHE CE1 . 25786 1 637 . 1 1 49 49 PHE CE2 C 13 131.336 . . 3 . . . A 62 PHE CE2 . 25786 1 638 . 1 1 49 49 PHE CZ C 13 129.923 . . 1 . . . A 62 PHE CZ . 25786 1 639 . 1 1 49 49 PHE N N 15 120.038 . . 1 . . . A 62 PHE N . 25786 1 640 . 1 1 50 50 ARG H H 1 8.665 . . 1 . . . A 63 ARG H . 25786 1 641 . 1 1 50 50 ARG HA H 1 4.258 . . 1 . . . A 63 ARG HA . 25786 1 642 . 1 1 50 50 ARG HB2 H 1 1.988 . . 2 . . . A 63 ARG HB2 . 25786 1 643 . 1 1 50 50 ARG HB3 H 1 1.988 . . 2 . . . A 63 ARG HB3 . 25786 1 644 . 1 1 50 50 ARG HG2 H 1 1.844 . . 2 . . . A 63 ARG HG2 . 25786 1 645 . 1 1 50 50 ARG HG3 H 1 1.844 . . 2 . . . A 63 ARG HG3 . 25786 1 646 . 1 1 50 50 ARG HD2 H 1 3.332 . . 2 . . . A 63 ARG HD2 . 25786 1 647 . 1 1 50 50 ARG HD3 H 1 3.332 . . 2 . . . A 63 ARG HD3 . 25786 1 648 . 1 1 50 50 ARG C C 13 181.328 . . 1 . . . A 63 ARG C . 25786 1 649 . 1 1 50 50 ARG CA C 13 59.257 . . 1 . . . A 63 ARG CA . 25786 1 650 . 1 1 50 50 ARG CB C 13 29.697 . . 1 . . . A 63 ARG CB . 25786 1 651 . 1 1 50 50 ARG CG C 13 27.801 . . 1 . . . A 63 ARG CG . 25786 1 652 . 1 1 50 50 ARG CD C 13 43.124 . . 1 . . . A 63 ARG CD . 25786 1 653 . 1 1 50 50 ARG N N 15 118.56 . . 1 . . . A 63 ARG N . 25786 1 654 . 1 1 51 51 LYS H H 1 8.69 . . 1 . . . A 64 LYS H . 25786 1 655 . 1 1 51 51 LYS HA H 1 4.019 . . 1 . . . A 64 LYS HA . 25786 1 656 . 1 1 51 51 LYS HB2 H 1 1.837 . . 2 . . . A 64 LYS HB2 . 25786 1 657 . 1 1 51 51 LYS HB3 H 1 1.73 . . 2 . . . A 64 LYS HB3 . 25786 1 658 . 1 1 51 51 LYS HG2 H 1 1.348 . . 2 . . . A 64 LYS HG2 . 25786 1 659 . 1 1 51 51 LYS HG3 H 1 1.348 . . 2 . . . A 64 LYS HG3 . 25786 1 660 . 1 1 51 51 LYS HD2 H 1 1.576 . . 2 . . . A 64 LYS HD2 . 25786 1 661 . 1 1 51 51 LYS HD3 H 1 1.547 . . 2 . . . A 64 LYS HD3 . 25786 1 662 . 1 1 51 51 LYS HE2 H 1 2.894 . . 2 . . . A 64 LYS HE2 . 25786 1 663 . 1 1 51 51 LYS HE3 H 1 2.894 . . 2 . . . A 64 LYS HE3 . 25786 1 664 . 1 1 51 51 LYS C C 13 177.595 . . 1 . . . A 64 LYS C . 25786 1 665 . 1 1 51 51 LYS CA C 13 58.651 . . 1 . . . A 64 LYS CA . 25786 1 666 . 1 1 51 51 LYS CB C 13 31.51 . . 1 . . . A 64 LYS CB . 25786 1 667 . 1 1 51 51 LYS CG C 13 24.38 . . 1 . . . A 64 LYS CG . 25786 1 668 . 1 1 51 51 LYS CD C 13 29.156 . . 1 . . . A 64 LYS CD . 25786 1 669 . 1 1 51 51 LYS CE C 13 42.01 . . 1 . . . A 64 LYS CE . 25786 1 670 . 1 1 51 51 LYS N N 15 122.759 . . 1 . . . A 64 LYS N . 25786 1 671 . 1 1 52 52 ASN H H 1 7.246 . . 1 . . . A 65 ASN H . 25786 1 672 . 1 1 52 52 ASN HA H 1 4.532 . . 1 . . . A 65 ASN HA . 25786 1 673 . 1 1 52 52 ASN HB2 H 1 2.723 . . 2 . . . A 65 ASN HB2 . 25786 1 674 . 1 1 52 52 ASN HB3 H 1 2.139 . . 2 . . . A 65 ASN HB3 . 25786 1 675 . 1 1 52 52 ASN C C 13 173.405 . . 1 . . . A 65 ASN C . 25786 1 676 . 1 1 52 52 ASN CA C 13 53.685 . . 1 . . . A 65 ASN CA . 25786 1 677 . 1 1 52 52 ASN CB C 13 39.038 . . 1 . . . A 65 ASN CB . 25786 1 678 . 1 1 52 52 ASN N N 15 115.681 . . 1 . . . A 65 ASN N . 25786 1 679 . 1 1 53 53 GLY H H 1 7.603 . . 1 . . . A 66 GLY H . 25786 1 680 . 1 1 53 53 GLY HA2 H 1 4.007 . . 2 . . . A 66 GLY HA2 . 25786 1 681 . 1 1 53 53 GLY HA3 H 1 3.578 . . 2 . . . A 66 GLY HA3 . 25786 1 682 . 1 1 53 53 GLY C C 13 173.869 . . 1 . . . A 66 GLY C . 25786 1 683 . 1 1 53 53 GLY CA C 13 45.539 . . 1 . . . A 66 GLY CA . 25786 1 684 . 1 1 53 53 GLY N N 15 105.186 . . 1 . . . A 66 GLY N . 25786 1 685 . 1 1 54 54 TYR H H 1 8.248 . . 1 . . . A 67 TYR H . 25786 1 686 . 1 1 54 54 TYR HA H 1 4.542 . . 1 . . . A 67 TYR HA . 25786 1 687 . 1 1 54 54 TYR HB2 H 1 2.607 . . 2 . . . A 67 TYR HB2 . 25786 1 688 . 1 1 54 54 TYR HB3 H 1 2.994 . . 2 . . . A 67 TYR HB3 . 25786 1 689 . 1 1 54 54 TYR HD1 H 1 7.288 . . 3 . . . A 67 TYR HD1 . 25786 1 690 . 1 1 54 54 TYR HD2 H 1 7.288 . . 3 . . . A 67 TYR HD2 . 25786 1 691 . 1 1 54 54 TYR HE1 H 1 6.88 . . 3 . . . A 67 TYR HE1 . 25786 1 692 . 1 1 54 54 TYR HE2 H 1 6.88 . . 3 . . . A 67 TYR HE2 . 25786 1 693 . 1 1 54 54 TYR C C 13 175.838 . . 1 . . . A 67 TYR C . 25786 1 694 . 1 1 54 54 TYR CA C 13 57.858 . . 1 . . . A 67 TYR CA . 25786 1 695 . 1 1 54 54 TYR CB C 13 38.564 . . 1 . . . A 67 TYR CB . 25786 1 696 . 1 1 54 54 TYR CD1 C 13 133.519 . . 3 . . . A 67 TYR CD1 . 25786 1 697 . 1 1 54 54 TYR CD2 C 13 133.519 . . 3 . . . A 67 TYR CD2 . 25786 1 698 . 1 1 54 54 TYR CE1 C 13 118.34 . . 3 . . . A 67 TYR CE1 . 25786 1 699 . 1 1 54 54 TYR CE2 C 13 118.34 . . 3 . . . A 67 TYR CE2 . 25786 1 700 . 1 1 54 54 TYR N N 15 119.699 . . 1 . . . A 67 TYR N . 25786 1 701 . 1 1 55 55 ARG H H 1 8.55 . . 1 . . . A 68 ARG H . 25786 1 702 . 1 1 55 55 ARG HA H 1 4.389 . . 1 . . . A 68 ARG HA . 25786 1 703 . 1 1 55 55 ARG HB2 H 1 1.714 . . 2 . . . A 68 ARG HB2 . 25786 1 704 . 1 1 55 55 ARG HB3 H 1 1.873 . . 2 . . . A 68 ARG HB3 . 25786 1 705 . 1 1 55 55 ARG HG2 H 1 1.533 . . 2 . . . A 68 ARG HG2 . 25786 1 706 . 1 1 55 55 ARG HG3 H 1 1.638 . . 2 . . . A 68 ARG HG3 . 25786 1 707 . 1 1 55 55 ARG HD2 H 1 3.199 . . 2 . . . A 68 ARG HD2 . 25786 1 708 . 1 1 55 55 ARG HD3 H 1 3.199 . . 2 . . . A 68 ARG HD3 . 25786 1 709 . 1 1 55 55 ARG C C 13 174.479 . . 1 . . . A 68 ARG C . 25786 1 710 . 1 1 55 55 ARG CA C 13 55.649 . . 1 . . . A 68 ARG CA . 25786 1 711 . 1 1 55 55 ARG CB C 13 28.357 . . 1 . . . A 68 ARG CB . 25786 1 712 . 1 1 55 55 ARG CG C 13 27.198 . . 1 . . . A 68 ARG CG . 25786 1 713 . 1 1 55 55 ARG CD C 13 43.577 . . 1 . . . A 68 ARG CD . 25786 1 714 . 1 1 55 55 ARG N N 15 125.588 . . 1 . . . A 68 ARG N . 25786 1 715 . 1 1 56 56 LEU H H 1 7.421 . . 1 . . . A 69 LEU H . 25786 1 716 . 1 1 56 56 LEU HA H 1 4.711 . . 1 . . . A 69 LEU HA . 25786 1 717 . 1 1 56 56 LEU HB2 H 1 1.408 . . 2 . . . A 69 LEU HB2 . 25786 1 718 . 1 1 56 56 LEU HB3 H 1 1.282 . . 2 . . . A 69 LEU HB3 . 25786 1 719 . 1 1 56 56 LEU HG H 1 1.242 . . 1 . . . A 69 LEU HG . 25786 1 720 . 1 1 56 56 LEU HD11 H 1 0.302 . . 2 . . . A 69 LEU HD11 . 25786 1 721 . 1 1 56 56 LEU HD12 H 1 0.302 . . 2 . . . A 69 LEU HD12 . 25786 1 722 . 1 1 56 56 LEU HD13 H 1 0.302 . . 2 . . . A 69 LEU HD13 . 25786 1 723 . 1 1 56 56 LEU HD21 H 1 0.109 . . 2 . . . A 69 LEU HD21 . 25786 1 724 . 1 1 56 56 LEU HD22 H 1 0.109 . . 2 . . . A 69 LEU HD22 . 25786 1 725 . 1 1 56 56 LEU HD23 H 1 0.109 . . 2 . . . A 69 LEU HD23 . 25786 1 726 . 1 1 56 56 LEU C C 13 175.63 . . 1 . . . A 69 LEU C . 25786 1 727 . 1 1 56 56 LEU CA C 13 53.367 . . 1 . . . A 69 LEU CA . 25786 1 728 . 1 1 56 56 LEU CB C 13 44.286 . . 1 . . . A 69 LEU CB . 25786 1 729 . 1 1 56 56 LEU CG C 13 26.91 . . 1 . . . A 69 LEU CG . 25786 1 730 . 1 1 56 56 LEU CD1 C 13 25.219 . . 2 . . . A 69 LEU CD1 . 25786 1 731 . 1 1 56 56 LEU CD2 C 13 24.607 . . 2 . . . A 69 LEU CD2 . 25786 1 732 . 1 1 56 56 LEU N N 15 122.034 . . 1 . . . A 69 LEU N . 25786 1 733 . 1 1 57 57 THR H H 1 8.163 . . 1 . . . A 70 THR H . 25786 1 734 . 1 1 57 57 THR HA H 1 4.721 . . 1 . . . A 70 THR HA . 25786 1 735 . 1 1 57 57 THR HB H 1 4.566 . . 1 . . . A 70 THR HB . 25786 1 736 . 1 1 57 57 THR HG21 H 1 1.154 . . 2 . . . A 70 THR HG21 . 25786 1 737 . 1 1 57 57 THR HG22 H 1 1.154 . . 2 . . . A 70 THR HG22 . 25786 1 738 . 1 1 57 57 THR HG23 H 1 1.154 . . 2 . . . A 70 THR HG23 . 25786 1 739 . 1 1 57 57 THR C C 13 174.636 . . 1 . . . A 70 THR C . 25786 1 740 . 1 1 57 57 THR CA C 13 59.377 . . 1 . . . A 70 THR CA . 25786 1 741 . 1 1 57 57 THR CB C 13 72.18 . . 1 . . . A 70 THR CB . 25786 1 742 . 1 1 57 57 THR CG2 C 13 21.557 . . 1 . . . A 70 THR CG2 . 25786 1 743 . 1 1 57 57 THR N N 15 109.789 . . 1 . . . A 70 THR N . 25786 1 744 . 1 1 58 58 LEU H H 1 8.825 . . 1 . . . A 71 LEU H . 25786 1 745 . 1 1 58 58 LEU HA H 1 3.885 . . 1 . . . A 71 LEU HA . 25786 1 746 . 1 1 58 58 LEU HB2 H 1 1.887 . . 2 . . . A 71 LEU HB2 . 25786 1 747 . 1 1 58 58 LEU HB3 H 1 1.678 . . 2 . . . A 71 LEU HB3 . 25786 1 748 . 1 1 58 58 LEU HG H 1 1.751 . . 1 . . . A 71 LEU HG . 25786 1 749 . 1 1 58 58 LEU HD11 H 1 1.003 . . 2 . . . A 71 LEU HD11 . 25786 1 750 . 1 1 58 58 LEU HD12 H 1 1.003 . . 2 . . . A 71 LEU HD12 . 25786 1 751 . 1 1 58 58 LEU HD13 H 1 1.003 . . 2 . . . A 71 LEU HD13 . 25786 1 752 . 1 1 58 58 LEU HD21 H 1 1.012 . . 2 . . . A 71 LEU HD21 . 25786 1 753 . 1 1 58 58 LEU HD22 H 1 1.012 . . 2 . . . A 71 LEU HD22 . 25786 1 754 . 1 1 58 58 LEU HD23 H 1 1.012 . . 2 . . . A 71 LEU HD23 . 25786 1 755 . 1 1 58 58 LEU C C 13 178.632 . . 1 . . . A 71 LEU C . 25786 1 756 . 1 1 58 58 LEU CA C 13 58.196 . . 1 . . . A 71 LEU CA . 25786 1 757 . 1 1 58 58 LEU CB C 13 41.94 . . 1 . . . A 71 LEU CB . 25786 1 758 . 1 1 58 58 LEU CG C 13 26.942 . . 1 . . . A 71 LEU CG . 25786 1 759 . 1 1 58 58 LEU CD1 C 13 25.842 . . 2 . . . A 71 LEU CD1 . 25786 1 760 . 1 1 58 58 LEU CD2 C 13 24.186 . . 2 . . . A 71 LEU CD2 . 25786 1 761 . 1 1 58 58 LEU N N 15 122.563 . . 1 . . . A 71 LEU N . 25786 1 762 . 1 1 59 59 ARG H H 1 8.244 . . 1 . . . A 72 ARG H . 25786 1 763 . 1 1 59 59 ARG HA H 1 3.876 . . 1 . . . A 72 ARG HA . 25786 1 764 . 1 1 59 59 ARG HB2 H 1 1.868 . . 2 . . . A 72 ARG HB2 . 25786 1 765 . 1 1 59 59 ARG HB3 H 1 1.749 . . 2 . . . A 72 ARG HB3 . 25786 1 766 . 1 1 59 59 ARG HG2 H 1 1.671 . . 2 . . . A 72 ARG HG2 . 25786 1 767 . 1 1 59 59 ARG HG3 H 1 1.671 . . 2 . . . A 72 ARG HG3 . 25786 1 768 . 1 1 59 59 ARG HD2 H 1 3.188 . . 2 . . . A 72 ARG HD2 . 25786 1 769 . 1 1 59 59 ARG HD3 H 1 3.188 . . 2 . . . A 72 ARG HD3 . 25786 1 770 . 1 1 59 59 ARG C C 13 178.893 . . 1 . . . A 72 ARG C . 25786 1 771 . 1 1 59 59 ARG CA C 13 59.147 . . 1 . . . A 72 ARG CA . 25786 1 772 . 1 1 59 59 ARG CB C 13 29.631 . . 1 . . . A 72 ARG CB . 25786 1 773 . 1 1 59 59 ARG CG C 13 26.998 . . 1 . . . A 72 ARG CG . 25786 1 774 . 1 1 59 59 ARG CD C 13 43.139 . . 1 . . . A 72 ARG CD . 25786 1 775 . 1 1 59 59 ARG N N 15 115.949 . . 1 . . . A 72 ARG N . 25786 1 776 . 1 1 60 60 GLU H H 1 7.461 . . 1 . . . A 73 GLU H . 25786 1 777 . 1 1 60 60 GLU HA H 1 3.951 . . 1 . . . A 73 GLU HA . 25786 1 778 . 1 1 60 60 GLU HB2 H 1 1.896 . . 2 . . . A 73 GLU HB2 . 25786 1 779 . 1 1 60 60 GLU HB3 H 1 2.23 . . 2 . . . A 73 GLU HB3 . 25786 1 780 . 1 1 60 60 GLU HG2 H 1 2.221 . . 2 . . . A 73 GLU HG2 . 25786 1 781 . 1 1 60 60 GLU HG3 H 1 2.221 . . 2 . . . A 73 GLU HG3 . 25786 1 782 . 1 1 60 60 GLU C C 13 178.762 . . 1 . . . A 73 GLU C . 25786 1 783 . 1 1 60 60 GLU CA C 13 59.092 . . 1 . . . A 73 GLU CA . 25786 1 784 . 1 1 60 60 GLU CB C 13 29.739 . . 1 . . . A 73 GLU CB . 25786 1 785 . 1 1 60 60 GLU CG C 13 37.997 . . 1 . . . A 73 GLU CG . 25786 1 786 . 1 1 60 60 GLU N N 15 117.665 . . 1 . . . A 73 GLU N . 25786 1 787 . 1 1 61 61 LEU H H 1 7.413 . . 1 . . . A 74 LEU H . 25786 1 788 . 1 1 61 61 LEU HA H 1 3.898 . . 1 . . . A 74 LEU HA . 25786 1 789 . 1 1 61 61 LEU HB2 H 1 1.194 . . 2 . . . A 74 LEU HB2 . 25786 1 790 . 1 1 61 61 LEU HB3 H 1 1.896 . . 2 . . . A 74 LEU HB3 . 25786 1 791 . 1 1 61 61 LEU HG H 1 1.377 . . 1 . . . A 74 LEU HG . 25786 1 792 . 1 1 61 61 LEU HD11 H 1 -0.776 . . 2 . . . A 74 LEU HD11 . 25786 1 793 . 1 1 61 61 LEU HD12 H 1 -0.776 . . 2 . . . A 74 LEU HD12 . 25786 1 794 . 1 1 61 61 LEU HD13 H 1 -0.776 . . 2 . . . A 74 LEU HD13 . 25786 1 795 . 1 1 61 61 LEU HD21 H 1 0.376 . . 2 . . . A 74 LEU HD21 . 25786 1 796 . 1 1 61 61 LEU HD22 H 1 0.376 . . 2 . . . A 74 LEU HD22 . 25786 1 797 . 1 1 61 61 LEU HD23 H 1 0.376 . . 2 . . . A 74 LEU HD23 . 25786 1 798 . 1 1 61 61 LEU C C 13 179.355 . . 1 . . . A 74 LEU C . 25786 1 799 . 1 1 61 61 LEU CA C 13 57.469 . . 1 . . . A 74 LEU CA . 25786 1 800 . 1 1 61 61 LEU CB C 13 41.619 . . 1 . . . A 74 LEU CB . 25786 1 801 . 1 1 61 61 LEU CG C 13 25.793 . . 1 . . . A 74 LEU CG . 25786 1 802 . 1 1 61 61 LEU CD1 C 13 19.863 . . 2 . . . A 74 LEU CD1 . 25786 1 803 . 1 1 61 61 LEU CD2 C 13 25.441 . . 2 . . . A 74 LEU CD2 . 25786 1 804 . 1 1 61 61 LEU N N 15 117.724 . . 1 . . . A 74 LEU N . 25786 1 805 . 1 1 62 62 TYR H H 1 8.086 . . 1 . . . A 75 TYR H . 25786 1 806 . 1 1 62 62 TYR HA H 1 4.054 . . 1 . . . A 75 TYR HA . 25786 1 807 . 1 1 62 62 TYR HB2 H 1 2.964 . . 2 . . . A 75 TYR HB2 . 25786 1 808 . 1 1 62 62 TYR HB3 H 1 2.964 . . 2 . . . A 75 TYR HB3 . 25786 1 809 . 1 1 62 62 TYR HD1 H 1 7.115 . . 3 . . . A 75 TYR HD1 . 25786 1 810 . 1 1 62 62 TYR HD2 H 1 7.115 . . 3 . . . A 75 TYR HD2 . 25786 1 811 . 1 1 62 62 TYR HE1 H 1 6.795 . . 3 . . . A 75 TYR HE1 . 25786 1 812 . 1 1 62 62 TYR HE2 H 1 6.795 . . 3 . . . A 75 TYR HE2 . 25786 1 813 . 1 1 62 62 TYR C C 13 176.656 . . 1 . . . A 75 TYR C . 25786 1 814 . 1 1 62 62 TYR CA C 13 60.638 . . 1 . . . A 75 TYR CA . 25786 1 815 . 1 1 62 62 TYR CB C 13 39.688 . . 1 . . . A 75 TYR CB . 25786 1 816 . 1 1 62 62 TYR CD1 C 13 133.053 . . 3 . . . A 75 TYR CD1 . 25786 1 817 . 1 1 62 62 TYR CD2 C 13 133.053 . . 3 . . . A 75 TYR CD2 . 25786 1 818 . 1 1 62 62 TYR CE1 C 13 118.139 . . 3 . . . A 75 TYR CE1 . 25786 1 819 . 1 1 62 62 TYR CE2 C 13 118.139 . . 3 . . . A 75 TYR CE2 . 25786 1 820 . 1 1 62 62 TYR N N 15 114.976 . . 1 . . . A 75 TYR N . 25786 1 821 . 1 1 63 63 ALA H H 1 7.776 . . 1 . . . A 76 ALA H . 25786 1 822 . 1 1 63 63 ALA HA H 1 4.052 . . 1 . . . A 76 ALA HA . 25786 1 823 . 1 1 63 63 ALA HB1 H 1 1.505 . . 2 . . . A 76 ALA HB1 . 25786 1 824 . 1 1 63 63 ALA HB2 H 1 1.505 . . 2 . . . A 76 ALA HB2 . 25786 1 825 . 1 1 63 63 ALA HB3 H 1 1.505 . . 2 . . . A 76 ALA HB3 . 25786 1 826 . 1 1 63 63 ALA C C 13 178.156 . . 1 . . . A 76 ALA C . 25786 1 827 . 1 1 63 63 ALA CA C 13 54.468 . . 1 . . . A 76 ALA CA . 25786 1 828 . 1 1 63 63 ALA CB C 13 18.535 . . 1 . . . A 76 ALA CB . 25786 1 829 . 1 1 63 63 ALA N N 15 119.116 . . 1 . . . A 76 ALA N . 25786 1 830 . 1 1 64 64 ALA H H 1 6.706 . . 1 . . . A 77 ALA H . 25786 1 831 . 1 1 64 64 ALA HB1 H 1 1.322 . . 2 . . . A 77 ALA HB1 . 25786 1 832 . 1 1 64 64 ALA HB2 H 1 1.322 . . 2 . . . A 77 ALA HB2 . 25786 1 833 . 1 1 64 64 ALA HB3 H 1 1.322 . . 2 . . . A 77 ALA HB3 . 25786 1 834 . 1 1 64 64 ALA C C 13 173.737 . . 1 . . . A 77 ALA C . 25786 1 835 . 1 1 64 64 ALA CA C 13 49.713 . . 1 . . . A 77 ALA CA . 25786 1 836 . 1 1 64 64 ALA CB C 13 19.226 . . 1 . . . A 77 ALA CB . 25786 1 837 . 1 1 64 64 ALA N N 15 116.862 . . 1 . . . A 77 ALA N . 25786 1 838 . 1 1 65 65 PRO HA H 1 5.018 . . 1 . . . A 78 PRO HA . 25786 1 839 . 1 1 65 65 PRO HB2 H 1 2.083 . . 2 . . . A 78 PRO HB2 . 25786 1 840 . 1 1 65 65 PRO HB3 H 1 1.921 . . 2 . . . A 78 PRO HB3 . 25786 1 841 . 1 1 65 65 PRO HG2 H 1 2.113 . . 2 . . . A 78 PRO HG2 . 25786 1 842 . 1 1 65 65 PRO HG3 H 1 2.113 . . 2 . . . A 78 PRO HG3 . 25786 1 843 . 1 1 65 65 PRO HD2 H 1 3.566 . . 2 . . . A 78 PRO HD2 . 25786 1 844 . 1 1 65 65 PRO HD3 H 1 3.566 . . 2 . . . A 78 PRO HD3 . 25786 1 845 . 1 1 65 65 PRO CA C 13 61.523 . . 1 . . . A 78 PRO CA . 25786 1 846 . 1 1 65 65 PRO CB C 13 28.845 . . 1 . . . A 78 PRO CB . 25786 1 847 . 1 1 65 65 PRO CG C 13 27.319 . . 1 . . . A 78 PRO CG . 25786 1 848 . 1 1 65 65 PRO CD C 13 48.3 . . 1 . . . A 78 PRO CD . 25786 1 849 . 1 1 66 66 THR H H 1 7.664 . . 1 . . . A 79 THR H . 25786 1 850 . 1 1 66 66 THR HA H 1 4.396 . . 1 . . . A 79 THR HA . 25786 1 851 . 1 1 66 66 THR HB H 1 4.496 . . 1 . . . A 79 THR HB . 25786 1 852 . 1 1 66 66 THR HG21 H 1 0.85 . . 2 . . . A 79 THR HG21 . 25786 1 853 . 1 1 66 66 THR HG22 H 1 0.85 . . 2 . . . A 79 THR HG22 . 25786 1 854 . 1 1 66 66 THR HG23 H 1 0.85 . . 2 . . . A 79 THR HG23 . 25786 1 855 . 1 1 66 66 THR C C 13 173 . . 1 . . . A 79 THR C . 25786 1 856 . 1 1 66 66 THR CA C 13 58.059 . . 1 . . . A 79 THR CA . 25786 1 857 . 1 1 66 66 THR CB C 13 72.247 . . 1 . . . A 79 THR CB . 25786 1 858 . 1 1 66 66 THR CG2 C 13 21.176 . . 1 . . . A 79 THR CG2 . 25786 1 859 . 1 1 66 66 THR N N 15 111.947 . . 1 . . . A 79 THR N . 25786 1 860 . 1 1 67 67 LEU H H 1 9.609 . . 1 . . . A 80 LEU H . 25786 1 861 . 1 1 67 67 LEU HA H 1 3.747 . . 1 . . . A 80 LEU HA . 25786 1 862 . 1 1 67 67 LEU HB2 H 1 1.602 . . 2 . . . A 80 LEU HB2 . 25786 1 863 . 1 1 67 67 LEU HB3 H 1 1.918 . . 2 . . . A 80 LEU HB3 . 25786 1 864 . 1 1 67 67 LEU HG H 1 1.616 . . 1 . . . A 80 LEU HG . 25786 1 865 . 1 1 67 67 LEU HD11 H 1 0.643 . . 2 . . . A 80 LEU HD11 . 25786 1 866 . 1 1 67 67 LEU HD12 H 1 0.643 . . 2 . . . A 80 LEU HD12 . 25786 1 867 . 1 1 67 67 LEU HD13 H 1 0.643 . . 2 . . . A 80 LEU HD13 . 25786 1 868 . 1 1 67 67 LEU HD21 H 1 0.587 . . 2 . . . A 80 LEU HD21 . 25786 1 869 . 1 1 67 67 LEU HD22 H 1 0.587 . . 2 . . . A 80 LEU HD22 . 25786 1 870 . 1 1 67 67 LEU HD23 H 1 0.587 . . 2 . . . A 80 LEU HD23 . 25786 1 871 . 1 1 67 67 LEU C C 13 179.028 . . 1 . . . A 80 LEU C . 25786 1 872 . 1 1 67 67 LEU CA C 13 58.209 . . 1 . . . A 80 LEU CA . 25786 1 873 . 1 1 67 67 LEU CB C 13 41.579 . . 1 . . . A 80 LEU CB . 25786 1 874 . 1 1 67 67 LEU CG C 13 27.005 . . 1 . . . A 80 LEU CG . 25786 1 875 . 1 1 67 67 LEU CD1 C 13 24.943 . . 2 . . . A 80 LEU CD1 . 25786 1 876 . 1 1 67 67 LEU CD2 C 13 23.965 . . 2 . . . A 80 LEU CD2 . 25786 1 877 . 1 1 67 67 LEU N N 15 123.227 . . 1 . . . A 80 LEU N . 25786 1 878 . 1 1 68 68 ALA H H 1 8.831 . . 1 . . . A 81 ALA H . 25786 1 879 . 1 1 68 68 ALA HA H 1 4.141 . . 1 . . . A 81 ALA HA . 25786 1 880 . 1 1 68 68 ALA HB1 H 1 1.308 . . 2 . . . A 81 ALA HB1 . 25786 1 881 . 1 1 68 68 ALA HB2 H 1 1.308 . . 2 . . . A 81 ALA HB2 . 25786 1 882 . 1 1 68 68 ALA HB3 H 1 1.308 . . 2 . . . A 81 ALA HB3 . 25786 1 883 . 1 1 68 68 ALA C C 13 181.038 . . 1 . . . A 81 ALA C . 25786 1 884 . 1 1 68 68 ALA CA C 13 54.876 . . 1 . . . A 81 ALA CA . 25786 1 885 . 1 1 68 68 ALA CB C 13 18.428 . . 1 . . . A 81 ALA CB . 25786 1 886 . 1 1 68 68 ALA N N 15 119.663 . . 1 . . . A 81 ALA N . 25786 1 887 . 1 1 69 69 ALA H H 1 8.272 . . 1 . . . A 82 ALA H . 25786 1 888 . 1 1 69 69 ALA HA H 1 4.225 . . 1 . . . A 82 ALA HA . 25786 1 889 . 1 1 69 69 ALA HB1 H 1 1.672 . . 2 . . . A 82 ALA HB1 . 25786 1 890 . 1 1 69 69 ALA HB2 H 1 1.672 . . 2 . . . A 82 ALA HB2 . 25786 1 891 . 1 1 69 69 ALA HB3 H 1 1.672 . . 2 . . . A 82 ALA HB3 . 25786 1 892 . 1 1 69 69 ALA C C 13 181.868 . . 1 . . . A 82 ALA C . 25786 1 893 . 1 1 69 69 ALA CA C 13 54.808 . . 1 . . . A 82 ALA CA . 25786 1 894 . 1 1 69 69 ALA CB C 13 19.088 . . 1 . . . A 82 ALA CB . 25786 1 895 . 1 1 69 69 ALA N N 15 122.181 . . 1 . . . A 82 ALA N . 25786 1 896 . 1 1 70 70 TRP H H 1 9.378 . . 1 . . . A 83 TRP H . 25786 1 897 . 1 1 70 70 TRP HA H 1 4.543 . . 1 . . . A 83 TRP HA . 25786 1 898 . 1 1 70 70 TRP HB2 H 1 3.32 . . 2 . . . A 83 TRP HB2 . 25786 1 899 . 1 1 70 70 TRP HB3 H 1 3.117 . . 2 . . . A 83 TRP HB3 . 25786 1 900 . 1 1 70 70 TRP HD1 H 1 7.274 . . 1 . . . A 83 TRP HD1 . 25786 1 901 . 1 1 70 70 TRP HE1 H 1 10.016 . . 1 . . . A 83 TRP HE1 . 25786 1 902 . 1 1 70 70 TRP HE3 H 1 7.266 . . 1 . . . A 83 TRP HE3 . 25786 1 903 . 1 1 70 70 TRP HZ2 H 1 6.798 . . 1 . . . A 83 TRP HZ2 . 25786 1 904 . 1 1 70 70 TRP HZ3 H 1 5.96 . . 1 . . . A 83 TRP HZ3 . 25786 1 905 . 1 1 70 70 TRP HH2 H 1 6.577 . . 1 . . . A 83 TRP HH2 . 25786 1 906 . 1 1 70 70 TRP C C 13 178.633 . . 1 . . . A 83 TRP C . 25786 1 907 . 1 1 70 70 TRP CA C 13 59.562 . . 1 . . . A 83 TRP CA . 25786 1 908 . 1 1 70 70 TRP CB C 13 28.301 . . 1 . . . A 83 TRP CB . 25786 1 909 . 1 1 70 70 TRP CD1 C 13 124.608 . . 1 . . . A 83 TRP CD1 . 25786 1 910 . 1 1 70 70 TRP CE3 C 13 119.972 . . 1 . . . A 83 TRP CE3 . 25786 1 911 . 1 1 70 70 TRP CZ2 C 13 112.348 . . 1 . . . A 83 TRP CZ2 . 25786 1 912 . 1 1 70 70 TRP CZ3 C 13 120.07 . . 1 . . . A 83 TRP CZ3 . 25786 1 913 . 1 1 70 70 TRP CH2 C 13 123.41 . . 1 . . . A 83 TRP CH2 . 25786 1 914 . 1 1 70 70 TRP N N 15 123.399 . . 1 . . . A 83 TRP N . 25786 1 915 . 1 1 70 70 TRP NE1 N 15 127.824 . . 1 . . . A 83 TRP NE1 . 25786 1 916 . 1 1 71 71 ASN H H 1 9.136 . . 1 . . . A 84 ASN H . 25786 1 917 . 1 1 71 71 ASN HA H 1 4.616 . . 1 . . . A 84 ASN HA . 25786 1 918 . 1 1 71 71 ASN HB2 H 1 2.96 . . 2 . . . A 84 ASN HB2 . 25786 1 919 . 1 1 71 71 ASN HB3 H 1 2.828 . . 2 . . . A 84 ASN HB3 . 25786 1 920 . 1 1 71 71 ASN C C 13 177.231 . . 1 . . . A 84 ASN C . 25786 1 921 . 1 1 71 71 ASN CA C 13 57.096 . . 1 . . . A 84 ASN CA . 25786 1 922 . 1 1 71 71 ASN CB C 13 39.229 . . 1 . . . A 84 ASN CB . 25786 1 923 . 1 1 71 71 ASN N N 15 118.25 . . 1 . . . A 84 ASN N . 25786 1 924 . 1 1 72 72 GLN H H 1 7.511 . . 1 . . . A 85 GLN H . 25786 1 925 . 1 1 72 72 GLN HA H 1 4.011 . . 1 . . . A 85 GLN HA . 25786 1 926 . 1 1 72 72 GLN HB2 H 1 2.514 . . 2 . . . A 85 GLN HB2 . 25786 1 927 . 1 1 72 72 GLN HB3 H 1 2.24 . . 2 . . . A 85 GLN HB3 . 25786 1 928 . 1 1 72 72 GLN C C 13 179.455 . . 1 . . . A 85 GLN C . 25786 1 929 . 1 1 72 72 GLN CA C 13 58.748 . . 1 . . . A 85 GLN CA . 25786 1 930 . 1 1 72 72 GLN CB C 13 27.84 . . 1 . . . A 85 GLN CB . 25786 1 931 . 1 1 72 72 GLN CG C 13 33.444 . . 1 . . . A 85 GLN CG . 25786 1 932 . 1 1 72 72 GLN N N 15 116.261 . . 1 . . . A 85 GLN N . 25786 1 933 . 1 1 73 73 LEU H H 1 8.172 . . 1 . . . A 86 LEU H . 25786 1 934 . 1 1 73 73 LEU HA H 1 4.041 . . 1 . . . A 86 LEU HA . 25786 1 935 . 1 1 73 73 LEU HB2 H 1 1.22 . . 2 . . . A 86 LEU HB2 . 25786 1 936 . 1 1 73 73 LEU HB3 H 1 1.945 . . 2 . . . A 86 LEU HB3 . 25786 1 937 . 1 1 73 73 LEU HG H 1 1.769 . . 1 . . . A 86 LEU HG . 25786 1 938 . 1 1 73 73 LEU HD11 H 1 0.685 . . 2 . . . A 86 LEU HD11 . 25786 1 939 . 1 1 73 73 LEU HD12 H 1 0.685 . . 2 . . . A 86 LEU HD12 . 25786 1 940 . 1 1 73 73 LEU HD13 H 1 0.685 . . 2 . . . A 86 LEU HD13 . 25786 1 941 . 1 1 73 73 LEU HD21 H 1 0.744 . . 2 . . . A 86 LEU HD21 . 25786 1 942 . 1 1 73 73 LEU HD22 H 1 0.744 . . 2 . . . A 86 LEU HD22 . 25786 1 943 . 1 1 73 73 LEU HD23 H 1 0.744 . . 2 . . . A 86 LEU HD23 . 25786 1 944 . 1 1 73 73 LEU C C 13 179.171 . . 1 . . . A 86 LEU C . 25786 1 945 . 1 1 73 73 LEU CA C 13 57.804 . . 1 . . . A 86 LEU CA . 25786 1 946 . 1 1 73 73 LEU CB C 13 41.915 . . 1 . . . A 86 LEU CB . 25786 1 947 . 1 1 73 73 LEU CG C 13 26.63 . . 1 . . . A 86 LEU CG . 25786 1 948 . 1 1 73 73 LEU CD1 C 13 25.688 . . 2 . . . A 86 LEU CD1 . 25786 1 949 . 1 1 73 73 LEU CD2 C 13 23.026 . . 2 . . . A 86 LEU CD2 . 25786 1 950 . 1 1 73 73 LEU N N 15 121.554 . . 1 . . . A 86 LEU N . 25786 1 951 . 1 1 74 74 MET H H 1 8.197 . . 1 . . . A 87 MET H . 25786 1 952 . 1 1 74 74 MET HA H 1 3.752 . . 1 . . . A 87 MET HA . 25786 1 953 . 1 1 74 74 MET HB2 H 1 2.157 . . 2 . . . A 87 MET HB2 . 25786 1 954 . 1 1 74 74 MET HB3 H 1 2.443 . . 2 . . . A 87 MET HB3 . 25786 1 955 . 1 1 74 74 MET HG2 H 1 2.637 . . 2 . . . A 87 MET HG2 . 25786 1 956 . 1 1 74 74 MET HG3 H 1 2.637 . . 2 . . . A 87 MET HG3 . 25786 1 957 . 1 1 74 74 MET HE1 H 1 2.053 . . 2 . . . A 87 MET HE1 . 25786 1 958 . 1 1 74 74 MET HE2 H 1 2.053 . . 2 . . . A 87 MET HE2 . 25786 1 959 . 1 1 74 74 MET HE3 H 1 2.053 . . 2 . . . A 87 MET HE3 . 25786 1 960 . 1 1 74 74 MET C C 13 178.221 . . 1 . . . A 87 MET C . 25786 1 961 . 1 1 74 74 MET CA C 13 59.481 . . 1 . . . A 87 MET CA . 25786 1 962 . 1 1 74 74 MET CB C 13 34.875 . . 1 . . . A 87 MET CB . 25786 1 963 . 1 1 74 74 MET CG C 13 32.651 . . 1 . . . A 87 MET CG . 25786 1 964 . 1 1 74 74 MET CE C 13 16.956 . . 1 . . . A 87 MET CE . 25786 1 965 . 1 1 74 74 MET N N 15 117.874 . . 1 . . . A 87 MET N . 25786 1 966 . 1 1 75 75 LEU H H 1 7.902 . . 1 . . . A 88 LEU H . 25786 1 967 . 1 1 75 75 LEU HA H 1 4.054 . . 1 . . . A 88 LEU HA . 25786 1 968 . 1 1 75 75 LEU HB2 H 1 1.482 . . 2 . . . A 88 LEU HB2 . 25786 1 969 . 1 1 75 75 LEU HB3 H 1 1.763 . . 2 . . . A 88 LEU HB3 . 25786 1 970 . 1 1 75 75 LEU HG H 1 1.59 . . 1 . . . A 88 LEU HG . 25786 1 971 . 1 1 75 75 LEU HD11 H 1 0.721 . . 2 . . . A 88 LEU HD11 . 25786 1 972 . 1 1 75 75 LEU HD12 H 1 0.721 . . 2 . . . A 88 LEU HD12 . 25786 1 973 . 1 1 75 75 LEU HD13 H 1 0.721 . . 2 . . . A 88 LEU HD13 . 25786 1 974 . 1 1 75 75 LEU HD21 H 1 0.59 . . 2 . . . A 88 LEU HD21 . 25786 1 975 . 1 1 75 75 LEU HD22 H 1 0.59 . . 2 . . . A 88 LEU HD22 . 25786 1 976 . 1 1 75 75 LEU HD23 H 1 0.59 . . 2 . . . A 88 LEU HD23 . 25786 1 977 . 1 1 75 75 LEU C C 13 179.237 . . 1 . . . A 88 LEU C . 25786 1 978 . 1 1 75 75 LEU CA C 13 57.076 . . 1 . . . A 88 LEU CA . 25786 1 979 . 1 1 75 75 LEU CB C 13 42.395 . . 1 . . . A 88 LEU CB . 25786 1 980 . 1 1 75 75 LEU CG C 13 26.598 . . 1 . . . A 88 LEU CG . 25786 1 981 . 1 1 75 75 LEU CD1 C 13 25.324 . . 2 . . . A 88 LEU CD1 . 25786 1 982 . 1 1 75 75 LEU CD2 C 13 22.626 . . 2 . . . A 88 LEU CD2 . 25786 1 983 . 1 1 75 75 LEU N N 15 117.598 . . 1 . . . A 88 LEU N . 25786 1 984 . 1 1 76 76 SER H H 1 7.958 . . 1 . . . A 89 SER H . 25786 1 985 . 1 1 76 76 SER HA H 1 4.038 . . 1 . . . A 89 SER HA . 25786 1 986 . 1 1 76 76 SER HB2 H 1 4.462 . . 2 . . . A 89 SER HB2 . 25786 1 987 . 1 1 76 76 SER HB3 H 1 4.462 . . 2 . . . A 89 SER HB3 . 25786 1 988 . 1 1 76 76 SER C C 13 175.09 . . 1 . . . A 89 SER C . 25786 1 989 . 1 1 76 76 SER CA C 13 59.901 . . 1 . . . A 89 SER CA . 25786 1 990 . 1 1 76 76 SER CB C 13 63.834 . . 1 . . . A 89 SER CB . 25786 1 991 . 1 1 76 76 SER N N 15 113.195 . . 1 . . . A 89 SER N . 25786 1 992 . 1 1 77 77 ARG H H 1 7.923 . . 1 . . . A 90 ARG H . 25786 1 993 . 1 1 77 77 ARG HA H 1 4.701 . . 1 . . . A 90 ARG HA . 25786 1 994 . 1 1 77 77 ARG HB2 H 1 1.844 . . 2 . . . A 90 ARG HB2 . 25786 1 995 . 1 1 77 77 ARG HB3 H 1 2.063 . . 2 . . . A 90 ARG HB3 . 25786 1 996 . 1 1 77 77 ARG HG2 H 1 1.845 . . 2 . . . A 90 ARG HG2 . 25786 1 997 . 1 1 77 77 ARG HG3 H 1 1.694 . . 2 . . . A 90 ARG HG3 . 25786 1 998 . 1 1 77 77 ARG HD2 H 1 3.168 . . 2 . . . A 90 ARG HD2 . 25786 1 999 . 1 1 77 77 ARG HD3 H 1 3.168 . . 2 . . . A 90 ARG HD3 . 25786 1 1000 . 1 1 77 77 ARG C C 13 175.695 . . 1 . . . A 90 ARG C . 25786 1 1001 . 1 1 77 77 ARG CA C 13 53.905 . . 1 . . . A 90 ARG CA . 25786 1 1002 . 1 1 77 77 ARG CB C 13 29.631 . . 1 . . . A 90 ARG CB . 25786 1 1003 . 1 1 77 77 ARG CG C 13 26.798 . . 1 . . . A 90 ARG CG . 25786 1 1004 . 1 1 77 77 ARG CD C 13 42.219 . . 1 . . . A 90 ARG CD . 25786 1 1005 . 1 1 77 77 ARG N N 15 122.031 . . 1 . . . A 90 ARG N . 25786 1 1006 . 1 1 78 78 SER H H 1 7.752 . . 1 . . . A 91 SER H . 25786 1 1007 . 1 1 78 78 SER C C 13 172.914 . . 1 . . . A 91 SER C . 25786 1 1008 . 1 1 78 78 SER CA C 13 57.104 . . 1 . . . A 91 SER CA . 25786 1 1009 . 1 1 78 78 SER CB C 13 63.437 . . 1 . . . A 91 SER CB . 25786 1 1010 . 1 1 78 78 SER N N 15 117.191 . . 1 . . . A 91 SER N . 25786 1 1011 . 1 1 79 79 PRO HA H 1 4.42 . . 1 . . . A 92 PRO HA . 25786 1 1012 . 1 1 79 79 PRO HB2 H 1 2.14 . . 2 . . . A 92 PRO HB2 . 25786 1 1013 . 1 1 79 79 PRO HB3 H 1 1.948 . . 2 . . . A 92 PRO HB3 . 25786 1 1014 . 1 1 79 79 PRO HG2 H 1 1.737 . . 2 . . . A 92 PRO HG2 . 25786 1 1015 . 1 1 79 79 PRO HG3 H 1 1.869 . . 2 . . . A 92 PRO HG3 . 25786 1 1016 . 1 1 79 79 PRO HD2 H 1 3.59 . . 2 . . . A 92 PRO HD2 . 25786 1 1017 . 1 1 79 79 PRO HD3 H 1 3.378 . . 2 . . . A 92 PRO HD3 . 25786 1 1018 . 1 1 79 79 PRO CA C 13 63.414 . . 1 . . . A 92 PRO CA . 25786 1 1019 . 1 1 79 79 PRO CB C 13 31.895 . . 1 . . . A 92 PRO CB . 25786 1 1020 . 1 1 79 79 PRO CG C 13 27.278 . . 1 . . . A 92 PRO CG . 25786 1 1021 . 1 1 79 79 PRO CD C 13 50.689 . . 1 . . . A 92 PRO CD . 25786 1 1022 . 1 1 80 80 GLU H H 1 8.068 . . 1 . . . A 93 GLU H . 25786 1 1023 . 1 1 80 80 GLU HA H 1 4.237 . . 1 . . . A 93 GLU HA . 25786 1 1024 . 1 1 80 80 GLU HB2 H 1 2.227 . . 2 . . . A 93 GLU HB2 . 25786 1 1025 . 1 1 80 80 GLU HB3 H 1 2.227 . . 2 . . . A 93 GLU HB3 . 25786 1 1026 . 1 1 80 80 GLU HG2 H 1 2.035 . . 2 . . . A 93 GLU HG2 . 25786 1 1027 . 1 1 80 80 GLU HG3 H 1 1.889 . . 2 . . . A 93 GLU HG3 . 25786 1 1028 . 1 1 80 80 GLU C C 13 181.226 . . 1 . . . A 93 GLU C . 25786 1 1029 . 1 1 80 80 GLU CA C 13 58.086 . . 1 . . . A 93 GLU CA . 25786 1 1030 . 1 1 80 80 GLU CB C 13 31.203 . . 1 . . . A 93 GLU CB . 25786 1 1031 . 1 1 80 80 GLU CG C 13 36.519 . . 1 . . . A 93 GLU CG . 25786 1 1032 . 1 1 80 80 GLU N N 15 126.257 . . 1 . . . A 93 GLU N . 25786 1 stop_ save_