data_34746 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34746 _Entry.Title ; Solution structure of nanoFAST/HBR-DOM2 complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-08-08 _Entry.Accession_date 2022-08-08 _Entry.Last_release_date 2022-11-22 _Entry.Original_release_date 2022-11-22 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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 V. Lushpa V. A. . . 34746 2 M. Goncharuk M. V. . . 34746 3 S. Goncharuk S. A. . . 34746 4 N. Baleeva N. S. . . 34746 5 M. Baranov M. S. . . 34746 6 K. Mineev K. S. . . 34746 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID FAST . 34746 'FLUORESCENT PROTEIN' . 34746 'binding constatnt' . 34746 dynamics . 34746 fluorogen . 34746 'fluorogen-activating protein' . 34746 'ligand sepcificity' . 34746 nanoFAST . 34746 'spatial structure' . 34746 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34746 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 472 34746 '15N chemical shifts' 110 34746 '1H chemical shifts' 776 34746 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2022-11-28 . original BMRB . 34746 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8AO0 'BMRB Entry Tracking System' 34746 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34746 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36232662 _Citation.DOI 10.3390/ijms231911361 _Citation.Full_citation . _Citation.Title ; Spatial Structure of NanoFAST in the Apo State and in Complex with its Fluorogen HBR-DOM2. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Int. J. Mol. Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 23 _Citation.Journal_issue 19 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1422-0067 _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 11361 _Citation.Page_last 11361 _Citation.Year 2022 _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 V. Lushpa V. A. . . 34746 1 2 N. Baleeva N. S. . . 34746 1 3 S. Goncharuk S. A. . . 34746 1 4 M. Goncharuk M. V. . . 34746 1 5 A. Arseniev A. S. . . 34746 1 6 M. Baranov M. S. . . 34746 1 7 K. Mineev K. S. . . 34746 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34746 _Assembly.ID 1 _Assembly.Name 'Photoactive yellow protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34746 1 2 unit_2 2 $entity_O1F B A no . . . . . . 34746 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34746 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MFGAIQLDGDGNILQYNAAX GDITGRDPKQVIGKNFFKDV APGTDSPEFYGKFKEGVASG NLNTMFEWMIPTSRGPTKVK VHMKKALSGDSYWVFVKRVK LAAALEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer yes _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12489.214 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID PYP common 34746 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 34746 1 2 . PHE . 34746 1 3 . GLY . 34746 1 4 . ALA . 34746 1 5 . ILE . 34746 1 6 . GLN . 34746 1 7 . LEU . 34746 1 8 . ASP . 34746 1 9 . GLY . 34746 1 10 . ASP . 34746 1 11 . GLY . 34746 1 12 . ASN . 34746 1 13 . ILE . 34746 1 14 . LEU . 34746 1 15 . GLN . 34746 1 16 . TYR . 34746 1 17 . ASN . 34746 1 18 . ALA . 34746 1 19 . ALA . 34746 1 20 . GGL . 34746 1 21 . GLY . 34746 1 22 . ASP . 34746 1 23 . ILE . 34746 1 24 . THR . 34746 1 25 . GLY . 34746 1 26 . ARG . 34746 1 27 . ASP . 34746 1 28 . PRO . 34746 1 29 . LYS . 34746 1 30 . GLN . 34746 1 31 . VAL . 34746 1 32 . ILE . 34746 1 33 . GLY . 34746 1 34 . LYS . 34746 1 35 . ASN . 34746 1 36 . PHE . 34746 1 37 . PHE . 34746 1 38 . LYS . 34746 1 39 . ASP . 34746 1 40 . VAL . 34746 1 41 . ALA . 34746 1 42 . PRO . 34746 1 43 . GLY . 34746 1 44 . THR . 34746 1 45 . ASP . 34746 1 46 . SER . 34746 1 47 . PRO . 34746 1 48 . GLU . 34746 1 49 . PHE . 34746 1 50 . TYR . 34746 1 51 . GLY . 34746 1 52 . LYS . 34746 1 53 . PHE . 34746 1 54 . LYS . 34746 1 55 . GLU . 34746 1 56 . GLY . 34746 1 57 . VAL . 34746 1 58 . ALA . 34746 1 59 . SER . 34746 1 60 . GLY . 34746 1 61 . ASN . 34746 1 62 . LEU . 34746 1 63 . ASN . 34746 1 64 . THR . 34746 1 65 . MET . 34746 1 66 . PHE . 34746 1 67 . GLU . 34746 1 68 . TRP . 34746 1 69 . MET . 34746 1 70 . ILE . 34746 1 71 . PRO . 34746 1 72 . THR . 34746 1 73 . SER . 34746 1 74 . ARG . 34746 1 75 . GLY . 34746 1 76 . PRO . 34746 1 77 . THR . 34746 1 78 . LYS . 34746 1 79 . VAL . 34746 1 80 . LYS . 34746 1 81 . VAL . 34746 1 82 . HIS . 34746 1 83 . MET . 34746 1 84 . LYS . 34746 1 85 . LYS . 34746 1 86 . ALA . 34746 1 87 . LEU . 34746 1 88 . SER . 34746 1 89 . GLY . 34746 1 90 . ASP . 34746 1 91 . SER . 34746 1 92 . TYR . 34746 1 93 . TRP . 34746 1 94 . VAL . 34746 1 95 . PHE . 34746 1 96 . VAL . 34746 1 97 . LYS . 34746 1 98 . ARG . 34746 1 99 . VAL . 34746 1 100 . LYS . 34746 1 101 . LEU . 34746 1 102 . ALA . 34746 1 103 . ALA . 34746 1 104 . ALA . 34746 1 105 . LEU . 34746 1 106 . GLU . 34746 1 107 . HIS . 34746 1 108 . HIS . 34746 1 109 . HIS . 34746 1 110 . HIS . 34746 1 111 . HIS . 34746 1 112 . HIS . 34746 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 . MET 1 1 34746 1 . PHE 2 2 34746 1 . GLY 3 3 34746 1 . ALA 4 4 34746 1 . ILE 5 5 34746 1 . GLN 6 6 34746 1 . LEU 7 7 34746 1 . ASP 8 8 34746 1 . GLY 9 9 34746 1 . ASP 10 10 34746 1 . GLY 11 11 34746 1 . ASN 12 12 34746 1 . ILE 13 13 34746 1 . LEU 14 14 34746 1 . GLN 15 15 34746 1 . TYR 16 16 34746 1 . ASN 17 17 34746 1 . ALA 18 18 34746 1 . ALA 19 19 34746 1 . GGL 20 20 34746 1 . GLY 21 21 34746 1 . ASP 22 22 34746 1 . ILE 23 23 34746 1 . THR 24 24 34746 1 . GLY 25 25 34746 1 . ARG 26 26 34746 1 . ASP 27 27 34746 1 . PRO 28 28 34746 1 . LYS 29 29 34746 1 . GLN 30 30 34746 1 . VAL 31 31 34746 1 . ILE 32 32 34746 1 . GLY 33 33 34746 1 . LYS 34 34 34746 1 . ASN 35 35 34746 1 . PHE 36 36 34746 1 . PHE 37 37 34746 1 . LYS 38 38 34746 1 . ASP 39 39 34746 1 . VAL 40 40 34746 1 . ALA 41 41 34746 1 . PRO 42 42 34746 1 . GLY 43 43 34746 1 . THR 44 44 34746 1 . ASP 45 45 34746 1 . SER 46 46 34746 1 . PRO 47 47 34746 1 . GLU 48 48 34746 1 . PHE 49 49 34746 1 . TYR 50 50 34746 1 . GLY 51 51 34746 1 . LYS 52 52 34746 1 . PHE 53 53 34746 1 . LYS 54 54 34746 1 . GLU 55 55 34746 1 . GLY 56 56 34746 1 . VAL 57 57 34746 1 . ALA 58 58 34746 1 . SER 59 59 34746 1 . GLY 60 60 34746 1 . ASN 61 61 34746 1 . LEU 62 62 34746 1 . ASN 63 63 34746 1 . THR 64 64 34746 1 . MET 65 65 34746 1 . PHE 66 66 34746 1 . GLU 67 67 34746 1 . TRP 68 68 34746 1 . MET 69 69 34746 1 . ILE 70 70 34746 1 . PRO 71 71 34746 1 . THR 72 72 34746 1 . SER 73 73 34746 1 . ARG 74 74 34746 1 . GLY 75 75 34746 1 . PRO 76 76 34746 1 . THR 77 77 34746 1 . LYS 78 78 34746 1 . VAL 79 79 34746 1 . LYS 80 80 34746 1 . VAL 81 81 34746 1 . HIS 82 82 34746 1 . MET 83 83 34746 1 . LYS 84 84 34746 1 . LYS 85 85 34746 1 . ALA 86 86 34746 1 . LEU 87 87 34746 1 . SER 88 88 34746 1 . GLY 89 89 34746 1 . ASP 90 90 34746 1 . SER 91 91 34746 1 . TYR 92 92 34746 1 . TRP 93 93 34746 1 . VAL 94 94 34746 1 . PHE 95 95 34746 1 . VAL 96 96 34746 1 . LYS 97 97 34746 1 . ARG 98 98 34746 1 . VAL 99 99 34746 1 . LYS 100 100 34746 1 . LEU 101 101 34746 1 . ALA 102 102 34746 1 . ALA 103 103 34746 1 . ALA 104 104 34746 1 . LEU 105 105 34746 1 . GLU 106 106 34746 1 . HIS 107 107 34746 1 . HIS 108 108 34746 1 . HIS 109 109 34746 1 . HIS 110 110 34746 1 . HIS 111 111 34746 1 . HIS 112 112 34746 1 stop_ save_ save_entity_O1F _Entity.Sf_category entity _Entity.Sf_framecode entity_O1F _Entity.Entry_ID 34746 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_O1F _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method syn _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 297.350 _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 1 201 O1F . 34746 2 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 34746 _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_1 . 32630 . . 'synthetic construct' . . . . . synthetic construct . . . . . . . . . . . pyp . 34746 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 34746 _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_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34746 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_GGL _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_GGL _Chem_comp.Entry_ID 34746 _Chem_comp.ID GGL _Chem_comp.Provenance PDB _Chem_comp.Name 'GAMMA-L-GLUTAMIC ACID' _Chem_comp.Type 'L-GAMMA-PEPTIDE, C-DELTA LINKING' _Chem_comp.BMRB_code GGL _Chem_comp.PDB_code GGL _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code E _Chem_comp.Three_letter_code GGL _Chem_comp.Number_atoms_all 19 _Chem_comp.Number_atoms_nh 10 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms 'L-GLUTAMIC ACID' _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C5 H9 N O4' _Chem_comp.Formula_weight 147.129 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site EBI _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 C(CC(=O)O)C(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.7.2 34746 GGL C(CC(=O)O)[C@@H](C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.2 34746 GGL InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI InChI 1.03 34746 GGL N[C@@H](CCC(O)=O)C(O)=O SMILES_CANONICAL CACTVS 3.370 34746 GGL N[CH](CCC(O)=O)C(O)=O SMILES CACTVS 3.370 34746 GGL O=C(O)C(N)CCC(=O)O SMILES ACDLabs 12.01 34746 GGL WHUUTDBJXJRKMK-VKHMYHEASA-N InChIKey InChI 1.03 34746 GGL 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-azanylpentanedioic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.2 34746 GGL 'L-glutamic acid' 'SYSTEMATIC NAME' ACDLabs 12.01 34746 GGL stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 N N . . . . 88.261 . -7.660 . -9.990 . 1.199 1.867 -0.117 1 . 34746 GGL CA CA CA CA . C . . S 0 . . . 1 N N . . . . 87.744 . -7.276 . -11.334 . 1.138 0.515 0.453 2 . 34746 GGL C C C C . C . . N 0 . . . 1 N N . . . . 88.474 . -6.030 . -11.811 . 2.364 -0.260 0.041 3 . 34746 GGL O O O O . O . . N 0 . . . 1 N N . . . . 88.969 . -5.292 . -10.943 . 3.010 0.096 -0.916 4 . 34746 GGL CB CB CB CB . C . . N 0 . . . 1 N N . . . . 86.234 . -7.012 . -11.267 . -0.113 -0.200 -0.062 5 . 34746 GGL CG CG CG CG . C . . N 0 . . . 1 N N . . . . 85.437 . -8.194 . -10.746 . -1.360 0.517 0.461 6 . 34746 GGL CD CD CD CD . C . . N 0 . . . 1 N N . . . . 83.937 . -7.944 . -10.707 . -2.593 -0.187 -0.046 7 . 34746 GGL OE1 OE1 OE1 OE1 . O . . N 0 . . . 1 N N . . . . 83.425 . -7.140 . -11.520 . -2.485 -1.161 -0.753 8 . 34746 GGL OE2 OE2 OE2 OE2 . O . . N 0 . . . 1 N Y . . . . 83.260 . -8.567 . -9.862 . -3.811 0.269 0.287 9 . 34746 GGL OXT OXT OXT OXT . O . . N 0 . . . 1 N N . . . . 88.543 . -5.801 . -13.033 . 2.737 -1.345 0.737 10 . 34746 GGL H H H H . H . . N 0 . . . 1 N N . . . . 87.785 . -8.479 . -9.671 . 1.237 1.834 -1.125 11 . 34746 GGL H2 H2 H2 HN2 . H . . N 0 . . . 1 N Y . . . . 89.241 . -7.847 . -10.051 . 0.421 2.427 0.197 12 . 34746 GGL HA HA HA HA . H . . N 0 . . . 1 N N . . . . 87.920 . -8.099 . -12.043 . 1.098 0.580 1.540 13 . 34746 GGL HB2 HB2 HB2 HB1 . H . . N 0 . . . 1 N N . . . . 86.064 . -6.160 . -10.592 . -0.117 -0.187 -1.152 14 . 34746 GGL HB3 HB3 HB3 HB2 . H . . N 0 . . . 1 N N . . . . 85.881 . -6.781 . -12.283 . -0.113 -1.231 0.289 15 . 34746 GGL HG2 HG2 HG2 HG1 . H . . N 0 . . . 1 N N . . . . 85.624 . -9.052 . -11.408 . -1.357 0.504 1.551 16 . 34746 GGL HG3 HG3 HG3 HG2 . H . . N 0 . . . 1 N N . . . . 85.775 . -8.411 . -9.722 . -1.360 1.548 0.109 17 . 34746 GGL HE2 HE2 HE2 HE2 . H . . N 0 . . . 1 N Y . . . . 82.345 . -8.328 . -9.951 . -4.571 -0.215 -0.062 18 . 34746 GGL HXT HXT HXT HXT . H . . N 0 . . . 1 N N . . . . 89.022 . -4.994 . -13.178 . 3.530 -1.809 0.435 19 . 34746 GGL stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA N N 1 . 34746 GGL 2 . SING N H N N 2 . 34746 GGL 3 . SING N H2 N N 3 . 34746 GGL 4 . SING CA C N N 4 . 34746 GGL 5 . SING CA CB N N 5 . 34746 GGL 6 . SING CA HA N N 6 . 34746 GGL 7 . DOUB C O N N 7 . 34746 GGL 8 . SING C OXT N N 8 . 34746 GGL 9 . SING CB CG N N 9 . 34746 GGL 10 . SING CB HB2 N N 10 . 34746 GGL 11 . SING CB HB3 N N 11 . 34746 GGL 12 . SING CG CD N N 12 . 34746 GGL 13 . SING CG HG2 N N 13 . 34746 GGL 14 . SING CG HG3 N N 14 . 34746 GGL 15 . DOUB CD OE1 N N 15 . 34746 GGL 16 . SING CD OE2 N N 16 . 34746 GGL 17 . SING OE2 HE2 N N 17 . 34746 GGL 18 . SING OXT HXT N N 18 . 34746 GGL stop_ save_ save_chem_comp_O1F _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_O1F _Chem_comp.Entry_ID 34746 _Chem_comp.ID O1F _Chem_comp.Provenance . _Chem_comp.Name (5~{Z})-5-[(2,5-dimethoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code O1F _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge . _Chem_comp.Paramagnetic . _Chem_comp.Aromatic . _Chem_comp.Formula 'C12 H11 N O4 S2' _Chem_comp.Formula_weight 297.350 _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 . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34746 _Sample.ID 1 _Sample.Name . _Sample.Type solid _Sample.Sub_type . _Sample.Details '20 mM NaPi, 20 mM sodium chloride, 0.001 % sodium azide, 90% H2O/10% D2O' _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 NaPi 'natural abundance' . . . . . . 20 . . mM . . . . 34746 1 2 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 34746 1 3 'sodium azide' 'natural abundance' . . . . . . 0.001 . . % . . . . 34746 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34746 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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 7.0 . pH 34746 1 pressure 1 . atm 34746 1 temperature 298 . K 34746 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34746 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version 3.98.13 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34746 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34746 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34746 _Software.ID 2 _Software.Type . _Software.Name TopSpin _Software.Version 3.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34746 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34746 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34746 _Software.ID 3 _Software.Type . _Software.Name qMDD _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Maxim Mayzev, Krzysztof Kazimierczuk, Vladislav Orekhov' . . 34746 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34746 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34746 _Software.ID 4 _Software.Type . _Software.Name CARA _Software.Version 1.9.1.7 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34746 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34746 4 'peak picking' . 34746 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34746 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34746 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 NMR_spectrometer_1 Bruker 'AVANCE III' . 800 . . . 34746 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 34746 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34746 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34746 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34746 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34746 1 5 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34746 1 6 hbCBcarHar no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34746 1 7 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34746 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34746 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34746 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34746 1 11 '3D HCCH-COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34746 1 12 '3D TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34746 1 13 '3D HNCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34746 1 14 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34746 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34746 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 TMS 'methyl carbons' . . . . ppm 2.7 external indirect 0.251449530 . . . . . 34746 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 34746 1 N 15 'ammonium chloride' nitrogen . . . . ppm 0 external indirect 0.101329118 . . . . . 34746 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34746 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34746 1 2 '2D 1H-13C HSQC aliphatic' . . . 34746 1 3 '2D 1H-13C HSQC aromatic' . . . 34746 1 4 '3D HNCO' . . . 34746 1 5 '3D HNCA' . . . 34746 1 6 hbCBcarHar . . . 34746 1 7 '3D HNCACB' . . . 34746 1 8 '3D 1H-15N NOESY' . . . 34746 1 9 '3D 1H-13C NOESY' . . . 34746 1 10 '3D HCCH-TOCSY' . . . 34746 1 11 '3D HCCH-COSY' . . . 34746 1 12 '3D TOCSY' . . . 34746 1 13 '3D HNCACO' . . . 34746 1 14 '3D HN(CO)CA' . . . 34746 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 MET HA H 1 3.728 0.020 . 1 . . . . A 1 MET HA . 34746 1 2 . 1 . 1 1 1 MET HB2 H 1 1.912 0.020 . 2 . . . . A 1 MET HB2 . 34746 1 3 . 1 . 1 1 1 MET HB3 H 1 1.912 0.020 . 2 . . . . A 1 MET HB3 . 34746 1 4 . 1 . 1 1 1 MET HG2 H 1 2.479 0.020 . 2 . . . . A 1 MET HG2 . 34746 1 5 . 1 . 1 1 1 MET HG3 H 1 2.442 0.020 . 2 . . . . A 1 MET HG3 . 34746 1 6 . 1 . 1 1 1 MET HE1 H 1 2.044 0.020 . 1 . . . . A 1 MET HE1 . 34746 1 7 . 1 . 1 1 1 MET HE2 H 1 2.044 0.020 . 1 . . . . A 1 MET HE2 . 34746 1 8 . 1 . 1 1 1 MET HE3 H 1 2.044 0.020 . 1 . . . . A 1 MET HE3 . 34746 1 9 . 1 . 1 1 1 MET CA C 13 55.710 0.250 . 1 . . . . A 1 MET CA . 34746 1 10 . 1 . 1 1 1 MET CB C 13 34.865 0.250 . 1 . . . . A 1 MET CB . 34746 1 11 . 1 . 1 1 1 MET CG C 13 31.259 0.250 . 1 . . . . A 1 MET CG . 34746 1 12 . 1 . 1 1 1 MET CE C 13 16.694 0.250 . 1 . . . . A 1 MET CE . 34746 1 13 . 1 . 1 2 2 PHE HA H 1 5.052 0.020 . 1 . . . . A 2 PHE HA . 34746 1 14 . 1 . 1 2 2 PHE HB2 H 1 3.321 0.020 . 2 . . . . A 2 PHE HB2 . 34746 1 15 . 1 . 1 2 2 PHE HB3 H 1 3.123 0.020 . 2 . . . . A 2 PHE HB3 . 34746 1 16 . 1 . 1 2 2 PHE HD1 H 1 7.273 0.020 . 1 . . . . A 2 PHE HD1 . 34746 1 17 . 1 . 1 2 2 PHE HD2 H 1 7.273 0.020 . 1 . . . . A 2 PHE HD2 . 34746 1 18 . 1 . 1 2 2 PHE HE1 H 1 7.220 0.020 . 1 . . . . A 2 PHE HE1 . 34746 1 19 . 1 . 1 2 2 PHE HE2 H 1 7.220 0.020 . 1 . . . . A 2 PHE HE2 . 34746 1 20 . 1 . 1 2 2 PHE HZ H 1 7.111 0.020 . 1 . . . . A 2 PHE HZ . 34746 1 21 . 1 . 1 2 2 PHE C C 13 176.211 0.250 . 1 . . . . A 2 PHE C . 34746 1 22 . 1 . 1 2 2 PHE CA C 13 56.033 0.250 . 1 . . . . A 2 PHE CA . 34746 1 23 . 1 . 1 2 2 PHE CB C 13 39.572 0.250 . 1 . . . . A 2 PHE CB . 34746 1 24 . 1 . 1 2 2 PHE CD1 C 13 132.231 0.250 . 3 . . . . A 2 PHE CD1 . 34746 1 25 . 1 . 1 2 2 PHE CE1 C 13 131.225 0.250 . 3 . . . . A 2 PHE CE1 . 34746 1 26 . 1 . 1 2 2 PHE CZ C 13 129.744 0.250 . 1 . . . . A 2 PHE CZ . 34746 1 27 . 1 . 1 3 3 GLY H H 1 9.399 0.020 . 1 . . . . A 3 GLY H . 34746 1 28 . 1 . 1 3 3 GLY HA2 H 1 4.644 0.020 . 1 . . . . A 3 GLY HA2 . 34746 1 29 . 1 . 1 3 3 GLY HA3 H 1 4.403 0.020 . 1 . . . . A 3 GLY HA3 . 34746 1 30 . 1 . 1 3 3 GLY C C 13 173.656 0.250 . 1 . . . . A 3 GLY C . 34746 1 31 . 1 . 1 3 3 GLY CA C 13 45.069 0.250 . 1 . . . . A 3 GLY CA . 34746 1 32 . 1 . 1 3 3 GLY N N 15 111.719 0.250 . 1 . . . . A 3 GLY N . 34746 1 33 . 1 . 1 4 4 ALA H H 1 8.185 0.020 . 1 . . . . A 4 ALA H . 34746 1 34 . 1 . 1 4 4 ALA HA H 1 5.594 0.020 . 1 . . . . A 4 ALA HA . 34746 1 35 . 1 . 1 4 4 ALA HB1 H 1 1.559 0.020 . 1 . . . . A 4 ALA HB1 . 34746 1 36 . 1 . 1 4 4 ALA HB2 H 1 1.559 0.020 . 1 . . . . A 4 ALA HB2 . 34746 1 37 . 1 . 1 4 4 ALA HB3 H 1 1.559 0.020 . 1 . . . . A 4 ALA HB3 . 34746 1 38 . 1 . 1 4 4 ALA C C 13 175.052 0.250 . 1 . . . . A 4 ALA C . 34746 1 39 . 1 . 1 4 4 ALA CA C 13 51.753 0.250 . 1 . . . . A 4 ALA CA . 34746 1 40 . 1 . 1 4 4 ALA CB C 13 22.825 0.250 . 1 . . . . A 4 ALA CB . 34746 1 41 . 1 . 1 4 4 ALA N N 15 123.688 0.250 . 1 . . . . A 4 ALA N . 34746 1 42 . 1 . 1 5 5 ILE H H 1 8.915 0.020 . 1 . . . . A 5 ILE H . 34746 1 43 . 1 . 1 5 5 ILE HA H 1 4.507 0.020 . 1 . . . . A 5 ILE HA . 34746 1 44 . 1 . 1 5 5 ILE HB H 1 1.396 0.020 . 1 . . . . A 5 ILE HB . 34746 1 45 . 1 . 1 5 5 ILE HG12 H 1 1.213 0.020 . 2 . . . . A 5 ILE HG12 . 34746 1 46 . 1 . 1 5 5 ILE HG13 H 1 0.706 0.020 . 2 . . . . A 5 ILE HG13 . 34746 1 47 . 1 . 1 5 5 ILE HG21 H 1 0.713 0.020 . 1 . . . . A 5 ILE HG21 . 34746 1 48 . 1 . 1 5 5 ILE HG22 H 1 0.713 0.020 . 1 . . . . A 5 ILE HG22 . 34746 1 49 . 1 . 1 5 5 ILE HG23 H 1 0.713 0.020 . 1 . . . . A 5 ILE HG23 . 34746 1 50 . 1 . 1 5 5 ILE HD11 H 1 0.613 0.020 . 1 . . . . A 5 ILE HD11 . 34746 1 51 . 1 . 1 5 5 ILE HD12 H 1 0.613 0.020 . 1 . . . . A 5 ILE HD12 . 34746 1 52 . 1 . 1 5 5 ILE HD13 H 1 0.613 0.020 . 1 . . . . A 5 ILE HD13 . 34746 1 53 . 1 . 1 5 5 ILE C C 13 174.025 0.250 . 1 . . . . A 5 ILE C . 34746 1 54 . 1 . 1 5 5 ILE CA C 13 59.303 0.250 . 1 . . . . A 5 ILE CA . 34746 1 55 . 1 . 1 5 5 ILE CB C 13 42.316 0.250 . 1 . . . . A 5 ILE CB . 34746 1 56 . 1 . 1 5 5 ILE CG1 C 13 26.003 0.250 . 1 . . . . A 5 ILE CG1 . 34746 1 57 . 1 . 1 5 5 ILE CG2 C 13 18.234 0.250 . 1 . . . . A 5 ILE CG2 . 34746 1 58 . 1 . 1 5 5 ILE CD1 C 13 14.245 0.250 . 1 . . . . A 5 ILE CD1 . 34746 1 59 . 1 . 1 5 5 ILE N N 15 123.289 0.250 . 1 . . . . A 5 ILE N . 34746 1 60 . 1 . 1 6 6 GLN H H 1 8.401 0.020 . 1 . . . . A 6 GLN H . 34746 1 61 . 1 . 1 6 6 GLN HA H 1 4.241 0.020 . 1 . . . . A 6 GLN HA . 34746 1 62 . 1 . 1 6 6 GLN HB2 H 1 1.512 0.020 . 1 . . . . A 6 GLN HB2 . 34746 1 63 . 1 . 1 6 6 GLN HB3 H 1 -0.183 0.020 . 1 . . . . A 6 GLN HB3 . 34746 1 64 . 1 . 1 6 6 GLN HG2 H 1 1.517 0.020 . 2 . . . . A 6 GLN HG2 . 34746 1 65 . 1 . 1 6 6 GLN HG3 H 1 0.656 0.020 . 2 . . . . A 6 GLN HG3 . 34746 1 66 . 1 . 1 6 6 GLN HE21 H 1 7.189 0.020 . 2 . . . . A 6 GLN HE21 . 34746 1 67 . 1 . 1 6 6 GLN HE22 H 1 6.684 0.020 . 2 . . . . A 6 GLN HE22 . 34746 1 68 . 1 . 1 6 6 GLN C C 13 174.146 0.250 . 1 . . . . A 6 GLN C . 34746 1 69 . 1 . 1 6 6 GLN CA C 13 53.436 0.250 . 1 . . . . A 6 GLN CA . 34746 1 70 . 1 . 1 6 6 GLN CB C 13 29.725 0.250 . 1 . . . . A 6 GLN CB . 34746 1 71 . 1 . 1 6 6 GLN CG C 13 33.190 0.250 . 1 . . . . A 6 GLN CG . 34746 1 72 . 1 . 1 6 6 GLN N N 15 127.060 0.250 . 1 . . . . A 6 GLN N . 34746 1 73 . 1 . 1 6 6 GLN NE2 N 15 110.210 0.250 . 1 . . . . A 6 GLN NE2 . 34746 1 74 . 1 . 1 7 7 LEU H H 1 9.443 0.020 . 1 . . . . A 7 LEU H . 34746 1 75 . 1 . 1 7 7 LEU HA H 1 5.544 0.020 . 1 . . . . A 7 LEU HA . 34746 1 76 . 1 . 1 7 7 LEU HB2 H 1 1.771 0.020 . 1 . . . . A 7 LEU HB2 . 34746 1 77 . 1 . 1 7 7 LEU HB3 H 1 1.643 0.020 . 1 . . . . A 7 LEU HB3 . 34746 1 78 . 1 . 1 7 7 LEU HG H 1 1.141 0.020 . 1 . . . . A 7 LEU HG . 34746 1 79 . 1 . 1 7 7 LEU HD11 H 1 0.308 0.020 . 2 . . . . A 7 LEU HD11 . 34746 1 80 . 1 . 1 7 7 LEU HD12 H 1 0.308 0.020 . 2 . . . . A 7 LEU HD12 . 34746 1 81 . 1 . 1 7 7 LEU HD13 H 1 0.308 0.020 . 2 . . . . A 7 LEU HD13 . 34746 1 82 . 1 . 1 7 7 LEU HD21 H 1 0.154 0.020 . 2 . . . . A 7 LEU HD21 . 34746 1 83 . 1 . 1 7 7 LEU HD22 H 1 0.154 0.020 . 2 . . . . A 7 LEU HD22 . 34746 1 84 . 1 . 1 7 7 LEU HD23 H 1 0.154 0.020 . 2 . . . . A 7 LEU HD23 . 34746 1 85 . 1 . 1 7 7 LEU C C 13 177.541 0.250 . 1 . . . . A 7 LEU C . 34746 1 86 . 1 . 1 7 7 LEU CA C 13 52.820 0.250 . 1 . . . . A 7 LEU CA . 34746 1 87 . 1 . 1 7 7 LEU CB C 13 46.524 0.250 . 1 . . . . A 7 LEU CB . 34746 1 88 . 1 . 1 7 7 LEU CG C 13 26.482 0.250 . 1 . . . . A 7 LEU CG . 34746 1 89 . 1 . 1 7 7 LEU CD1 C 13 25.285 0.250 . 2 . . . . A 7 LEU CD1 . 34746 1 90 . 1 . 1 7 7 LEU CD2 C 13 26.530 0.250 . 2 . . . . A 7 LEU CD2 . 34746 1 91 . 1 . 1 7 7 LEU N N 15 128.259 0.250 . 1 . . . . A 7 LEU N . 34746 1 92 . 1 . 1 8 8 ASP H H 1 8.232 0.020 . 1 . . . . A 8 ASP H . 34746 1 93 . 1 . 1 8 8 ASP HA H 1 5.086 0.020 . 1 . . . . A 8 ASP HA . 34746 1 94 . 1 . 1 8 8 ASP HB2 H 1 3.520 0.020 . 1 . . . . A 8 ASP HB2 . 34746 1 95 . 1 . 1 8 8 ASP HB3 H 1 2.767 0.020 . 1 . . . . A 8 ASP HB3 . 34746 1 96 . 1 . 1 8 8 ASP C C 13 178.425 0.250 . 1 . . . . A 8 ASP C . 34746 1 97 . 1 . 1 8 8 ASP CA C 13 52.219 0.250 . 1 . . . . A 8 ASP CA . 34746 1 98 . 1 . 1 8 8 ASP CB C 13 41.320 0.250 . 1 . . . . A 8 ASP CB . 34746 1 99 . 1 . 1 8 8 ASP N N 15 118.496 0.250 . 1 . . . . A 8 ASP N . 34746 1 100 . 1 . 1 9 9 GLY H H 1 8.853 0.020 . 1 . . . . A 9 GLY H . 34746 1 101 . 1 . 1 9 9 GLY HA2 H 1 3.898 0.020 . 2 . . . . A 9 GLY HA2 . 34746 1 102 . 1 . 1 9 9 GLY HA3 H 1 3.898 0.020 . 2 . . . . A 9 GLY HA3 . 34746 1 103 . 1 . 1 9 9 GLY C C 13 173.696 0.250 . 1 . . . . A 9 GLY C . 34746 1 104 . 1 . 1 9 9 GLY CA C 13 47.323 0.250 . 1 . . . . A 9 GLY CA . 34746 1 105 . 1 . 1 9 9 GLY N N 15 103.148 0.250 . 1 . . . . A 9 GLY N . 34746 1 106 . 1 . 1 10 10 ASP H H 1 7.958 0.020 . 1 . . . . A 10 ASP H . 34746 1 107 . 1 . 1 10 10 ASP HA H 1 5.075 0.020 . 1 . . . . A 10 ASP HA . 34746 1 108 . 1 . 1 10 10 ASP HB2 H 1 2.857 0.020 . 2 . . . . A 10 ASP HB2 . 34746 1 109 . 1 . 1 10 10 ASP HB3 H 1 2.627 0.020 . 2 . . . . A 10 ASP HB3 . 34746 1 110 . 1 . 1 10 10 ASP C C 13 177.462 0.250 . 1 . . . . A 10 ASP C . 34746 1 111 . 1 . 1 10 10 ASP CA C 13 54.021 0.250 . 1 . . . . A 10 ASP CA . 34746 1 112 . 1 . 1 10 10 ASP CB C 13 42.678 0.250 . 1 . . . . A 10 ASP CB . 34746 1 113 . 1 . 1 10 10 ASP N N 15 116.206 0.250 . 1 . . . . A 10 ASP N . 34746 1 114 . 1 . 1 11 11 GLY H H 1 8.687 0.020 . 1 . . . . A 11 GLY H . 34746 1 115 . 1 . 1 11 11 GLY HA2 H 1 4.486 0.020 . 1 . . . . A 11 GLY HA2 . 34746 1 116 . 1 . 1 11 11 GLY HA3 H 1 3.526 0.020 . 1 . . . . A 11 GLY HA3 . 34746 1 117 . 1 . 1 11 11 GLY C C 13 173.024 0.250 . 1 . . . . A 11 GLY C . 34746 1 118 . 1 . 1 11 11 GLY CA C 13 45.675 0.250 . 1 . . . . A 11 GLY CA . 34746 1 119 . 1 . 1 11 11 GLY N N 15 108.784 0.250 . 1 . . . . A 11 GLY N . 34746 1 120 . 1 . 1 12 12 ASN H H 1 9.107 0.020 . 1 . . . . A 12 ASN H . 34746 1 121 . 1 . 1 12 12 ASN HA H 1 4.867 0.020 . 1 . . . . A 12 ASN HA . 34746 1 122 . 1 . 1 12 12 ASN HB2 H 1 2.872 0.020 . 2 . . . . A 12 ASN HB2 . 34746 1 123 . 1 . 1 12 12 ASN HB3 H 1 2.151 0.020 . 2 . . . . A 12 ASN HB3 . 34746 1 124 . 1 . 1 12 12 ASN HD21 H 1 8.716 0.020 . 2 . . . . A 12 ASN HD21 . 34746 1 125 . 1 . 1 12 12 ASN HD22 H 1 7.372 0.020 . 2 . . . . A 12 ASN HD22 . 34746 1 126 . 1 . 1 12 12 ASN C C 13 175.487 0.250 . 1 . . . . A 12 ASN C . 34746 1 127 . 1 . 1 12 12 ASN CA C 13 53.655 0.250 . 1 . . . . A 12 ASN CA . 34746 1 128 . 1 . 1 12 12 ASN CB C 13 38.355 0.250 . 1 . . . . A 12 ASN CB . 34746 1 129 . 1 . 1 12 12 ASN N N 15 121.690 0.250 . 1 . . . . A 12 ASN N . 34746 1 130 . 1 . 1 12 12 ASN ND2 N 15 119.910 0.250 . 1 . . . . A 12 ASN ND2 . 34746 1 131 . 1 . 1 13 13 ILE H H 1 8.658 0.020 . 1 . . . . A 13 ILE H . 34746 1 132 . 1 . 1 13 13 ILE HA H 1 4.000 0.020 . 1 . . . . A 13 ILE HA . 34746 1 133 . 1 . 1 13 13 ILE HB H 1 2.096 0.020 . 1 . . . . A 13 ILE HB . 34746 1 134 . 1 . 1 13 13 ILE HG12 H 1 1.973 0.020 . 2 . . . . A 13 ILE HG12 . 34746 1 135 . 1 . 1 13 13 ILE HG13 H 1 0.688 0.020 . 2 . . . . A 13 ILE HG13 . 34746 1 136 . 1 . 1 13 13 ILE HG21 H 1 0.889 0.020 . 1 . . . . A 13 ILE HG21 . 34746 1 137 . 1 . 1 13 13 ILE HG22 H 1 0.889 0.020 . 1 . . . . A 13 ILE HG22 . 34746 1 138 . 1 . 1 13 13 ILE HG23 H 1 0.889 0.020 . 1 . . . . A 13 ILE HG23 . 34746 1 139 . 1 . 1 13 13 ILE HD11 H 1 0.861 0.020 . 1 . . . . A 13 ILE HD11 . 34746 1 140 . 1 . 1 13 13 ILE HD12 H 1 0.861 0.020 . 1 . . . . A 13 ILE HD12 . 34746 1 141 . 1 . 1 13 13 ILE HD13 H 1 0.861 0.020 . 1 . . . . A 13 ILE HD13 . 34746 1 142 . 1 . 1 13 13 ILE C C 13 176.263 0.250 . 1 . . . . A 13 ILE C . 34746 1 143 . 1 . 1 13 13 ILE CA C 13 62.822 0.250 . 1 . . . . A 13 ILE CA . 34746 1 144 . 1 . 1 13 13 ILE CB C 13 37.999 0.250 . 1 . . . . A 13 ILE CB . 34746 1 145 . 1 . 1 13 13 ILE CG1 C 13 28.903 0.250 . 1 . . . . A 13 ILE CG1 . 34746 1 146 . 1 . 1 13 13 ILE CG2 C 13 19.370 0.250 . 1 . . . . A 13 ILE CG2 . 34746 1 147 . 1 . 1 13 13 ILE CD1 C 13 14.234 0.250 . 1 . . . . A 13 ILE CD1 . 34746 1 148 . 1 . 1 13 13 ILE N N 15 119.807 0.250 . 1 . . . . A 13 ILE N . 34746 1 149 . 1 . 1 14 14 LEU H H 1 9.577 0.020 . 1 . . . . A 14 LEU H . 34746 1 150 . 1 . 1 14 14 LEU HA H 1 4.388 0.020 . 1 . . . . A 14 LEU HA . 34746 1 151 . 1 . 1 14 14 LEU HB2 H 1 1.397 0.020 . 2 . . . . A 14 LEU HB2 . 34746 1 152 . 1 . 1 14 14 LEU HB3 H 1 1.397 0.020 . 2 . . . . A 14 LEU HB3 . 34746 1 153 . 1 . 1 14 14 LEU HG H 1 1.625 0.020 . 1 . . . . A 14 LEU HG . 34746 1 154 . 1 . 1 14 14 LEU HD11 H 1 0.762 0.020 . 2 . . . . A 14 LEU HD11 . 34746 1 155 . 1 . 1 14 14 LEU HD12 H 1 0.762 0.020 . 2 . . . . A 14 LEU HD12 . 34746 1 156 . 1 . 1 14 14 LEU HD13 H 1 0.762 0.020 . 2 . . . . A 14 LEU HD13 . 34746 1 157 . 1 . 1 14 14 LEU HD21 H 1 0.683 0.020 . 2 . . . . A 14 LEU HD21 . 34746 1 158 . 1 . 1 14 14 LEU HD22 H 1 0.683 0.020 . 2 . . . . A 14 LEU HD22 . 34746 1 159 . 1 . 1 14 14 LEU HD23 H 1 0.683 0.020 . 2 . . . . A 14 LEU HD23 . 34746 1 160 . 1 . 1 14 14 LEU C C 13 177.606 0.250 . 1 . . . . A 14 LEU C . 34746 1 161 . 1 . 1 14 14 LEU CA C 13 55.530 0.250 . 1 . . . . A 14 LEU CA . 34746 1 162 . 1 . 1 14 14 LEU CB C 13 42.473 0.250 . 1 . . . . A 14 LEU CB . 34746 1 163 . 1 . 1 14 14 LEU CG C 13 26.682 0.250 . 1 . . . . A 14 LEU CG . 34746 1 164 . 1 . 1 14 14 LEU CD1 C 13 21.768 0.250 . 2 . . . . A 14 LEU CD1 . 34746 1 165 . 1 . 1 14 14 LEU CD2 C 13 24.887 0.250 . 2 . . . . A 14 LEU CD2 . 34746 1 166 . 1 . 1 14 14 LEU N N 15 130.963 0.250 . 1 . . . . A 14 LEU N . 34746 1 167 . 1 . 1 15 15 GLN H H 1 7.621 0.020 . 1 . . . . A 15 GLN H . 34746 1 168 . 1 . 1 15 15 GLN HA H 1 4.538 0.020 . 1 . . . . A 15 GLN HA . 34746 1 169 . 1 . 1 15 15 GLN HB2 H 1 2.238 0.020 . 2 . . . . A 15 GLN HB2 . 34746 1 170 . 1 . 1 15 15 GLN HB3 H 1 1.751 0.020 . 2 . . . . A 15 GLN HB3 . 34746 1 171 . 1 . 1 15 15 GLN HG2 H 1 2.501 0.020 . 2 . . . . A 15 GLN HG2 . 34746 1 172 . 1 . 1 15 15 GLN HG3 H 1 2.375 0.020 . 2 . . . . A 15 GLN HG3 . 34746 1 173 . 1 . 1 15 15 GLN HE21 H 1 7.528 0.020 . 2 . . . . A 15 GLN HE21 . 34746 1 174 . 1 . 1 15 15 GLN HE22 H 1 7.146 0.020 . 2 . . . . A 15 GLN HE22 . 34746 1 175 . 1 . 1 15 15 GLN C C 13 173.380 0.250 . 1 . . . . A 15 GLN C . 34746 1 176 . 1 . 1 15 15 GLN CA C 13 55.576 0.250 . 1 . . . . A 15 GLN CA . 34746 1 177 . 1 . 1 15 15 GLN CB C 13 34.345 0.250 . 1 . . . . A 15 GLN CB . 34746 1 178 . 1 . 1 15 15 GLN CG C 13 34.615 0.250 . 1 . . . . A 15 GLN CG . 34746 1 179 . 1 . 1 15 15 GLN N N 15 113.258 0.250 . 1 . . . . A 15 GLN N . 34746 1 180 . 1 . 1 15 15 GLN NE2 N 15 112.539 0.250 . 1 . . . . A 15 GLN NE2 . 34746 1 181 . 1 . 1 16 16 TYR H H 1 8.475 0.020 . 1 . . . . A 16 TYR H . 34746 1 182 . 1 . 1 16 16 TYR HA H 1 4.773 0.020 . 1 . . . . A 16 TYR HA . 34746 1 183 . 1 . 1 16 16 TYR HB2 H 1 3.156 0.020 . 2 . . . . A 16 TYR HB2 . 34746 1 184 . 1 . 1 16 16 TYR HB3 H 1 2.473 0.020 . 2 . . . . A 16 TYR HB3 . 34746 1 185 . 1 . 1 16 16 TYR HD1 H 1 6.873 0.020 . 1 . . . . A 16 TYR HD1 . 34746 1 186 . 1 . 1 16 16 TYR HD2 H 1 6.873 0.020 . 1 . . . . A 16 TYR HD2 . 34746 1 187 . 1 . 1 16 16 TYR HE1 H 1 6.682 0.020 . 1 . . . . A 16 TYR HE1 . 34746 1 188 . 1 . 1 16 16 TYR HE2 H 1 6.682 0.020 . 1 . . . . A 16 TYR HE2 . 34746 1 189 . 1 . 1 16 16 TYR HH H 1 11.759 0.020 . 1 . . . . A 16 TYR HH . 34746 1 190 . 1 . 1 16 16 TYR C C 13 174.012 0.250 . 1 . . . . A 16 TYR C . 34746 1 191 . 1 . 1 16 16 TYR CA C 13 58.735 0.250 . 1 . . . . A 16 TYR CA . 34746 1 192 . 1 . 1 16 16 TYR CB C 13 41.472 0.250 . 1 . . . . A 16 TYR CB . 34746 1 193 . 1 . 1 16 16 TYR CD1 C 13 133.375 0.250 . 3 . . . . A 16 TYR CD1 . 34746 1 194 . 1 . 1 16 16 TYR CE1 C 13 118.016 0.250 . 3 . . . . A 16 TYR CE1 . 34746 1 195 . 1 . 1 16 16 TYR N N 15 126.982 0.250 . 1 . . . . A 16 TYR N . 34746 1 196 . 1 . 1 17 17 ASN H H 1 8.158 0.020 . 1 . . . . A 17 ASN H . 34746 1 197 . 1 . 1 17 17 ASN HA H 1 4.815 0.020 . 1 . . . . A 17 ASN HA . 34746 1 198 . 1 . 1 17 17 ASN HB2 H 1 3.712 0.020 . 1 . . . . A 17 ASN HB2 . 34746 1 199 . 1 . 1 17 17 ASN HB3 H 1 3.350 0.020 . 1 . . . . A 17 ASN HB3 . 34746 1 200 . 1 . 1 17 17 ASN HD21 H 1 8.097 0.020 . 2 . . . . A 17 ASN HD21 . 34746 1 201 . 1 . 1 17 17 ASN HD22 H 1 7.154 0.020 . 2 . . . . A 17 ASN HD22 . 34746 1 202 . 1 . 1 17 17 ASN C C 13 173.801 0.250 . 1 . . . . A 17 ASN C . 34746 1 203 . 1 . 1 17 17 ASN CA C 13 52.870 0.250 . 1 . . . . A 17 ASN CA . 34746 1 204 . 1 . 1 17 17 ASN CB C 13 38.735 0.250 . 1 . . . . A 17 ASN CB . 34746 1 205 . 1 . 1 17 17 ASN N N 15 124.000 0.250 . 1 . . . . A 17 ASN N . 34746 1 206 . 1 . 1 17 17 ASN ND2 N 15 111.379 0.250 . 1 . . . . A 17 ASN ND2 . 34746 1 207 . 1 . 1 18 18 ALA H H 1 8.548 0.020 . 1 . . . . A 18 ALA H . 34746 1 208 . 1 . 1 18 18 ALA HA H 1 4.159 0.020 . 1 . . . . A 18 ALA HA . 34746 1 209 . 1 . 1 18 18 ALA HB1 H 1 1.546 0.020 . 1 . . . . A 18 ALA HB1 . 34746 1 210 . 1 . 1 18 18 ALA HB2 H 1 1.546 0.020 . 1 . . . . A 18 ALA HB2 . 34746 1 211 . 1 . 1 18 18 ALA HB3 H 1 1.546 0.020 . 1 . . . . A 18 ALA HB3 . 34746 1 212 . 1 . 1 18 18 ALA C C 13 180.714 0.250 . 1 . . . . A 18 ALA C . 34746 1 213 . 1 . 1 18 18 ALA CA C 13 54.885 0.250 . 1 . . . . A 18 ALA CA . 34746 1 214 . 1 . 1 18 18 ALA CB C 13 17.872 0.250 . 1 . . . . A 18 ALA CB . 34746 1 215 . 1 . 1 18 18 ALA N N 15 121.030 0.250 . 1 . . . . A 18 ALA N . 34746 1 216 . 1 . 1 19 19 ALA H H 1 8.156 0.020 . 1 . . . . A 19 ALA H . 34746 1 217 . 1 . 1 19 19 ALA HA H 1 4.154 0.020 . 1 . . . . A 19 ALA HA . 34746 1 218 . 1 . 1 19 19 ALA HB1 H 1 1.344 0.020 . 1 . . . . A 19 ALA HB1 . 34746 1 219 . 1 . 1 19 19 ALA HB2 H 1 1.344 0.020 . 1 . . . . A 19 ALA HB2 . 34746 1 220 . 1 . 1 19 19 ALA HB3 H 1 1.344 0.020 . 1 . . . . A 19 ALA HB3 . 34746 1 221 . 1 . 1 19 19 ALA C C 13 179.779 0.250 . 1 . . . . A 19 ALA C . 34746 1 222 . 1 . 1 19 19 ALA CA C 13 54.801 0.250 . 1 . . . . A 19 ALA CA . 34746 1 223 . 1 . 1 19 19 ALA CB C 13 17.665 0.250 . 1 . . . . A 19 ALA CB . 34746 1 224 . 1 . 1 19 19 ALA N N 15 119.467 0.250 . 1 . . . . A 19 ALA N . 34746 1 225 . 1 . 1 20 20 GGL H H 1 8.077 0.020 . 1 . . . . A 20 GGL H . 34746 1 226 . 1 . 1 20 20 GGL C C 13 179.134 0.250 . 1 . . . . A 20 GGL C . 34746 1 227 . 1 . 1 20 20 GGL N N 15 120.668 0.250 . 1 . . . . A 20 GGL N . 34746 1 228 . 1 . 1 20 20 GGL CA C 13 58.071 0.250 . 1 . . . . A 20 GGL CA . 34746 1 229 . 1 . 1 20 20 GGL CB C 13 26.911 0.250 . 1 . . . . A 20 GGL CB . 34746 1 230 . 1 . 1 20 20 GGL CG C 13 31.657 0.250 . 1 . . . . A 20 GGL CG . 34746 1 231 . 1 . 1 20 20 GGL HA H 1 4.396 0.020 . 1 . . . . A 20 GGL HA . 34746 1 232 . 1 . 1 20 20 GGL HB2 H 1 1.857 0.020 . 2 . . . . A 20 GGL HB2 . 34746 1 233 . 1 . 1 20 20 GGL HB3 H 1 1.542 0.020 . 2 . . . . A 20 GGL HB3 . 34746 1 234 . 1 . 1 20 20 GGL HE2 H 1 15.690 0.020 . 1 . . . . A 20 GGL HE2 . 34746 1 235 . 1 . 1 20 20 GGL HG2 H 1 1.565 0.020 . 2 . . . . A 20 GGL HG2 . 34746 1 236 . 1 . 1 20 20 GGL HG3 H 1 2.438 0.020 . 2 . . . . A 20 GGL HG3 . 34746 1 237 . 1 . 1 21 21 GLY H H 1 8.005 0.020 . 1 . . . . A 21 GLY H . 34746 1 238 . 1 . 1 21 21 GLY HA2 H 1 4.432 0.020 . 2 . . . . A 21 GLY HA2 . 34746 1 239 . 1 . 1 21 21 GLY HA3 H 1 4.038 0.020 . 2 . . . . A 21 GLY HA3 . 34746 1 240 . 1 . 1 21 21 GLY C C 13 176.461 0.250 . 1 . . . . A 21 GLY C . 34746 1 241 . 1 . 1 21 21 GLY CA C 13 47.703 0.250 . 1 . . . . A 21 GLY CA . 34746 1 242 . 1 . 1 21 21 GLY N N 15 106.000 0.250 . 1 . . . . A 21 GLY N . 34746 1 243 . 1 . 1 22 22 ASP H H 1 8.266 0.020 . 1 . . . . A 22 ASP H . 34746 1 244 . 1 . 1 22 22 ASP HA H 1 4.537 0.020 . 1 . . . . A 22 ASP HA . 34746 1 245 . 1 . 1 22 22 ASP HB2 H 1 2.856 0.020 . 2 . . . . A 22 ASP HB2 . 34746 1 246 . 1 . 1 22 22 ASP HB3 H 1 2.760 0.020 . 2 . . . . A 22 ASP HB3 . 34746 1 247 . 1 . 1 22 22 ASP C C 13 178.410 0.250 . 1 . . . . A 22 ASP C . 34746 1 248 . 1 . 1 22 22 ASP CA C 13 56.888 0.250 . 1 . . . . A 22 ASP CA . 34746 1 249 . 1 . 1 22 22 ASP CB C 13 40.947 0.250 . 1 . . . . A 22 ASP CB . 34746 1 250 . 1 . 1 22 22 ASP N N 15 121.671 0.250 . 1 . . . . A 22 ASP N . 34746 1 251 . 1 . 1 23 23 ILE H H 1 7.646 0.020 . 1 . . . . A 23 ILE H . 34746 1 252 . 1 . 1 23 23 ILE HA H 1 3.727 0.020 . 1 . . . . A 23 ILE HA . 34746 1 253 . 1 . 1 23 23 ILE HB H 1 2.056 0.020 . 1 . . . . A 23 ILE HB . 34746 1 254 . 1 . 1 23 23 ILE HG12 H 1 2.061 0.020 . 2 . . . . A 23 ILE HG12 . 34746 1 255 . 1 . 1 23 23 ILE HG13 H 1 0.708 0.020 . 2 . . . . A 23 ILE HG13 . 34746 1 256 . 1 . 1 23 23 ILE HG21 H 1 0.643 0.020 . 1 . . . . A 23 ILE HG21 . 34746 1 257 . 1 . 1 23 23 ILE HG22 H 1 0.643 0.020 . 1 . . . . A 23 ILE HG22 . 34746 1 258 . 1 . 1 23 23 ILE HG23 H 1 0.643 0.020 . 1 . . . . A 23 ILE HG23 . 34746 1 259 . 1 . 1 23 23 ILE HD11 H 1 0.866 0.020 . 1 . . . . A 23 ILE HD11 . 34746 1 260 . 1 . 1 23 23 ILE HD12 H 1 0.866 0.020 . 1 . . . . A 23 ILE HD12 . 34746 1 261 . 1 . 1 23 23 ILE HD13 H 1 0.866 0.020 . 1 . . . . A 23 ILE HD13 . 34746 1 262 . 1 . 1 23 23 ILE C C 13 178.173 0.250 . 1 . . . . A 23 ILE C . 34746 1 263 . 1 . 1 23 23 ILE CA C 13 65.461 0.250 . 1 . . . . A 23 ILE CA . 34746 1 264 . 1 . 1 23 23 ILE CB C 13 38.289 0.250 . 1 . . . . A 23 ILE CB . 34746 1 265 . 1 . 1 23 23 ILE CG1 C 13 29.430 0.250 . 1 . . . . A 23 ILE CG1 . 34746 1 266 . 1 . 1 23 23 ILE CG2 C 13 17.163 0.250 . 1 . . . . A 23 ILE CG2 . 34746 1 267 . 1 . 1 23 23 ILE CD1 C 13 13.112 0.250 . 1 . . . . A 23 ILE CD1 . 34746 1 268 . 1 . 1 23 23 ILE N N 15 119.518 0.250 . 1 . . . . A 23 ILE N . 34746 1 269 . 1 . 1 24 24 THR H H 1 8.674 0.020 . 1 . . . . A 24 THR H . 34746 1 270 . 1 . 1 24 24 THR HA H 1 4.001 0.020 . 1 . . . . A 24 THR HA . 34746 1 271 . 1 . 1 24 24 THR HB H 1 4.369 0.020 . 1 . . . . A 24 THR HB . 34746 1 272 . 1 . 1 24 24 THR HG1 H 1 4.554 0.020 . 1 . . . . A 24 THR HG1 . 34746 1 273 . 1 . 1 24 24 THR HG21 H 1 1.246 0.020 . 1 . . . . A 24 THR HG21 . 34746 1 274 . 1 . 1 24 24 THR HG22 H 1 1.246 0.020 . 1 . . . . A 24 THR HG22 . 34746 1 275 . 1 . 1 24 24 THR HG23 H 1 1.246 0.020 . 1 . . . . A 24 THR HG23 . 34746 1 276 . 1 . 1 24 24 THR C C 13 177.238 0.250 . 1 . . . . A 24 THR C . 34746 1 277 . 1 . 1 24 24 THR CA C 13 63.289 0.250 . 1 . . . . A 24 THR CA . 34746 1 278 . 1 . 1 24 24 THR CB C 13 70.785 0.250 . 1 . . . . A 24 THR CB . 34746 1 279 . 1 . 1 24 24 THR CG2 C 13 21.288 0.250 . 1 . . . . A 24 THR CG2 . 34746 1 280 . 1 . 1 24 24 THR N N 15 107.213 0.250 . 1 . . . . A 24 THR N . 34746 1 281 . 1 . 1 25 25 GLY H H 1 9.028 0.020 . 1 . . . . A 25 GLY H . 34746 1 282 . 1 . 1 25 25 GLY HA2 H 1 4.319 0.020 . 1 . . . . A 25 GLY HA2 . 34746 1 283 . 1 . 1 25 25 GLY HA3 H 1 3.977 0.020 . 1 . . . . A 25 GLY HA3 . 34746 1 284 . 1 . 1 25 25 GLY C C 13 174.183 0.250 . 1 . . . . A 25 GLY C . 34746 1 285 . 1 . 1 25 25 GLY CA C 13 45.731 0.250 . 1 . . . . A 25 GLY CA . 34746 1 286 . 1 . 1 25 25 GLY N N 15 113.811 0.250 . 1 . . . . A 25 GLY N . 34746 1 287 . 1 . 1 26 26 ARG H H 1 7.928 0.020 . 1 . . . . A 26 ARG H . 34746 1 288 . 1 . 1 26 26 ARG HA H 1 4.461 0.020 . 1 . . . . A 26 ARG HA . 34746 1 289 . 1 . 1 26 26 ARG HB2 H 1 1.826 0.020 . 2 . . . . A 26 ARG HB2 . 34746 1 290 . 1 . 1 26 26 ARG HB3 H 1 1.651 0.020 . 2 . . . . A 26 ARG HB3 . 34746 1 291 . 1 . 1 26 26 ARG HG2 H 1 1.736 0.020 . 2 . . . . A 26 ARG HG2 . 34746 1 292 . 1 . 1 26 26 ARG HG3 H 1 1.844 0.020 . 2 . . . . A 26 ARG HG3 . 34746 1 293 . 1 . 1 26 26 ARG HD2 H 1 3.208 0.020 . 2 . . . . A 26 ARG HD2 . 34746 1 294 . 1 . 1 26 26 ARG HD3 H 1 3.153 0.020 . 2 . . . . A 26 ARG HD3 . 34746 1 295 . 1 . 1 26 26 ARG C C 13 174.776 0.250 . 1 . . . . A 26 ARG C . 34746 1 296 . 1 . 1 26 26 ARG CA C 13 55.339 0.250 . 1 . . . . A 26 ARG CA . 34746 1 297 . 1 . 1 26 26 ARG CB C 13 30.563 0.250 . 1 . . . . A 26 ARG CB . 34746 1 298 . 1 . 1 26 26 ARG CG C 13 28.714 0.250 . 1 . . . . A 26 ARG CG . 34746 1 299 . 1 . 1 26 26 ARG CD C 13 42.924 0.250 . 1 . . . . A 26 ARG CD . 34746 1 300 . 1 . 1 26 26 ARG N N 15 120.706 0.250 . 1 . . . . A 26 ARG N . 34746 1 301 . 1 . 1 27 27 ASP H H 1 8.423 0.020 . 1 . . . . A 27 ASP H . 34746 1 302 . 1 . 1 27 27 ASP HA H 1 4.855 0.020 . 1 . . . . A 27 ASP HA . 34746 1 303 . 1 . 1 27 27 ASP HB2 H 1 2.774 0.020 . 2 . . . . A 27 ASP HB2 . 34746 1 304 . 1 . 1 27 27 ASP HB3 H 1 2.695 0.020 . 2 . . . . A 27 ASP HB3 . 34746 1 305 . 1 . 1 27 27 ASP C C 13 175.987 0.250 . 1 . . . . A 27 ASP C . 34746 1 306 . 1 . 1 27 27 ASP CA C 13 50.679 0.250 . 1 . . . . A 27 ASP CA . 34746 1 307 . 1 . 1 27 27 ASP CB C 13 42.087 0.250 . 1 . . . . A 27 ASP CB . 34746 1 308 . 1 . 1 27 27 ASP N N 15 121.812 0.250 . 1 . . . . A 27 ASP N . 34746 1 309 . 1 . 1 28 28 PRO HA H 1 3.975 0.020 . 1 . . . . A 28 PRO HA . 34746 1 310 . 1 . 1 28 28 PRO HB2 H 1 3.053 0.020 . 2 . . . . A 28 PRO HB2 . 34746 1 311 . 1 . 1 28 28 PRO HB3 H 1 2.115 0.020 . 2 . . . . A 28 PRO HB3 . 34746 1 312 . 1 . 1 28 28 PRO HG2 H 1 2.286 0.020 . 2 . . . . A 28 PRO HG2 . 34746 1 313 . 1 . 1 28 28 PRO HG3 H 1 1.998 0.020 . 2 . . . . A 28 PRO HG3 . 34746 1 314 . 1 . 1 28 28 PRO HD2 H 1 4.595 0.020 . 2 . . . . A 28 PRO HD2 . 34746 1 315 . 1 . 1 28 28 PRO HD3 H 1 4.012 0.020 . 2 . . . . A 28 PRO HD3 . 34746 1 316 . 1 . 1 28 28 PRO C C 13 178.041 0.250 . 1 . . . . A 28 PRO C . 34746 1 317 . 1 . 1 28 28 PRO CA C 13 65.226 0.250 . 1 . . . . A 28 PRO CA . 34746 1 318 . 1 . 1 28 28 PRO CB C 13 33.138 0.250 . 1 . . . . A 28 PRO CB . 34746 1 319 . 1 . 1 28 28 PRO CG C 13 27.917 0.250 . 1 . . . . A 28 PRO CG . 34746 1 320 . 1 . 1 28 28 PRO CD C 13 51.177 0.250 . 1 . . . . A 28 PRO CD . 34746 1 321 . 1 . 1 29 29 LYS H H 1 8.118 0.020 . 1 . . . . A 29 LYS H . 34746 1 322 . 1 . 1 29 29 LYS HA H 1 4.030 0.020 . 1 . . . . A 29 LYS HA . 34746 1 323 . 1 . 1 29 29 LYS HB2 H 1 1.913 0.020 . 1 . . . . A 29 LYS HB2 . 34746 1 324 . 1 . 1 29 29 LYS HB3 H 1 1.846 0.020 . 1 . . . . A 29 LYS HB3 . 34746 1 325 . 1 . 1 29 29 LYS HG2 H 1 1.547 0.020 . 2 . . . . A 29 LYS HG2 . 34746 1 326 . 1 . 1 29 29 LYS HG3 H 1 1.547 0.020 . 2 . . . . A 29 LYS HG3 . 34746 1 327 . 1 . 1 29 29 LYS HD2 H 1 1.763 0.020 . 2 . . . . A 29 LYS HD2 . 34746 1 328 . 1 . 1 29 29 LYS HD3 H 1 1.763 0.020 . 2 . . . . A 29 LYS HD3 . 34746 1 329 . 1 . 1 29 29 LYS HE2 H 1 3.068 0.020 . 2 . . . . A 29 LYS HE2 . 34746 1 330 . 1 . 1 29 29 LYS HE3 H 1 3.068 0.020 . 2 . . . . A 29 LYS HE3 . 34746 1 331 . 1 . 1 29 29 LYS C C 13 178.923 0.250 . 1 . . . . A 29 LYS C . 34746 1 332 . 1 . 1 29 29 LYS CA C 13 58.541 0.250 . 1 . . . . A 29 LYS CA . 34746 1 333 . 1 . 1 29 29 LYS CB C 13 31.992 0.250 . 1 . . . . A 29 LYS CB . 34746 1 334 . 1 . 1 29 29 LYS CG C 13 25.090 0.250 . 1 . . . . A 29 LYS CG . 34746 1 335 . 1 . 1 29 29 LYS CD C 13 28.990 0.250 . 1 . . . . A 29 LYS CD . 34746 1 336 . 1 . 1 29 29 LYS CE C 13 41.822 0.250 . 1 . . . . A 29 LYS CE . 34746 1 337 . 1 . 1 29 29 LYS N N 15 111.652 0.250 . 1 . . . . A 29 LYS N . 34746 1 338 . 1 . 1 30 30 GLN H H 1 7.976 0.020 . 1 . . . . A 30 GLN H . 34746 1 339 . 1 . 1 30 30 GLN HA H 1 4.283 0.020 . 1 . . . . A 30 GLN HA . 34746 1 340 . 1 . 1 30 30 GLN HB2 H 1 2.091 0.020 . 2 . . . . A 30 GLN HB2 . 34746 1 341 . 1 . 1 30 30 GLN HB3 H 1 2.305 0.020 . 2 . . . . A 30 GLN HB3 . 34746 1 342 . 1 . 1 30 30 GLN HG2 H 1 2.482 0.020 . 2 . . . . A 30 GLN HG2 . 34746 1 343 . 1 . 1 30 30 GLN HG3 H 1 2.369 0.020 . 2 . . . . A 30 GLN HG3 . 34746 1 344 . 1 . 1 30 30 GLN HE21 H 1 7.722 0.020 . 2 . . . . A 30 GLN HE21 . 34746 1 345 . 1 . 1 30 30 GLN HE22 H 1 6.907 0.020 . 2 . . . . A 30 GLN HE22 . 34746 1 346 . 1 . 1 30 30 GLN C C 13 176.856 0.250 . 1 . . . . A 30 GLN C . 34746 1 347 . 1 . 1 30 30 GLN CA C 13 56.415 0.250 . 1 . . . . A 30 GLN CA . 34746 1 348 . 1 . 1 30 30 GLN CB C 13 29.353 0.250 . 1 . . . . A 30 GLN CB . 34746 1 349 . 1 . 1 30 30 GLN CG C 13 34.015 0.250 . 1 . . . . A 30 GLN CG . 34746 1 350 . 1 . 1 30 30 GLN N N 15 114.850 0.250 . 1 . . . . A 30 GLN N . 34746 1 351 . 1 . 1 30 30 GLN NE2 N 15 112.445 0.250 . 1 . . . . A 30 GLN NE2 . 34746 1 352 . 1 . 1 31 31 VAL H H 1 7.090 0.020 . 1 . . . . A 31 VAL H . 34746 1 353 . 1 . 1 31 31 VAL HA H 1 4.223 0.020 . 1 . . . . A 31 VAL HA . 34746 1 354 . 1 . 1 31 31 VAL HB H 1 1.913 0.020 . 1 . . . . A 31 VAL HB . 34746 1 355 . 1 . 1 31 31 VAL HG11 H 1 0.512 0.020 . 2 . . . . A 31 VAL HG11 . 34746 1 356 . 1 . 1 31 31 VAL HG12 H 1 0.512 0.020 . 2 . . . . A 31 VAL HG12 . 34746 1 357 . 1 . 1 31 31 VAL HG13 H 1 0.512 0.020 . 2 . . . . A 31 VAL HG13 . 34746 1 358 . 1 . 1 31 31 VAL HG21 H 1 0.086 0.020 . 2 . . . . A 31 VAL HG21 . 34746 1 359 . 1 . 1 31 31 VAL HG22 H 1 0.086 0.020 . 2 . . . . A 31 VAL HG22 . 34746 1 360 . 1 . 1 31 31 VAL HG23 H 1 0.086 0.020 . 2 . . . . A 31 VAL HG23 . 34746 1 361 . 1 . 1 31 31 VAL C C 13 174.894 0.250 . 1 . . . . A 31 VAL C . 34746 1 362 . 1 . 1 31 31 VAL CA C 13 61.168 0.250 . 1 . . . . A 31 VAL CA . 34746 1 363 . 1 . 1 31 31 VAL CB C 13 31.947 0.250 . 1 . . . . A 31 VAL CB . 34746 1 364 . 1 . 1 31 31 VAL CG1 C 13 21.337 0.250 . 2 . . . . A 31 VAL CG1 . 34746 1 365 . 1 . 1 31 31 VAL CG2 C 13 17.643 0.250 . 2 . . . . A 31 VAL CG2 . 34746 1 366 . 1 . 1 31 31 VAL N N 15 109.095 0.250 . 1 . . . . A 31 VAL N . 34746 1 367 . 1 . 1 32 32 ILE H H 1 7.042 0.020 . 1 . . . . A 32 ILE H . 34746 1 368 . 1 . 1 32 32 ILE HA H 1 3.405 0.020 . 1 . . . . A 32 ILE HA . 34746 1 369 . 1 . 1 32 32 ILE HB H 1 1.709 0.020 . 1 . . . . A 32 ILE HB . 34746 1 370 . 1 . 1 32 32 ILE HG12 H 1 1.730 0.020 . 2 . . . . A 32 ILE HG12 . 34746 1 371 . 1 . 1 32 32 ILE HG13 H 1 1.093 0.020 . 2 . . . . A 32 ILE HG13 . 34746 1 372 . 1 . 1 32 32 ILE HG21 H 1 0.887 0.020 . 1 . . . . A 32 ILE HG21 . 34746 1 373 . 1 . 1 32 32 ILE HG22 H 1 0.887 0.020 . 1 . . . . A 32 ILE HG22 . 34746 1 374 . 1 . 1 32 32 ILE HG23 H 1 0.887 0.020 . 1 . . . . A 32 ILE HG23 . 34746 1 375 . 1 . 1 32 32 ILE HD11 H 1 0.911 0.020 . 1 . . . . A 32 ILE HD11 . 34746 1 376 . 1 . 1 32 32 ILE HD12 H 1 0.911 0.020 . 1 . . . . A 32 ILE HD12 . 34746 1 377 . 1 . 1 32 32 ILE HD13 H 1 0.911 0.020 . 1 . . . . A 32 ILE HD13 . 34746 1 378 . 1 . 1 32 32 ILE C C 13 177.119 0.250 . 1 . . . . A 32 ILE C . 34746 1 379 . 1 . 1 32 32 ILE CA C 13 63.455 0.250 . 1 . . . . A 32 ILE CA . 34746 1 380 . 1 . 1 32 32 ILE CB C 13 37.354 0.250 . 1 . . . . A 32 ILE CB . 34746 1 381 . 1 . 1 32 32 ILE CG1 C 13 29.305 0.250 . 1 . . . . A 32 ILE CG1 . 34746 1 382 . 1 . 1 32 32 ILE CG2 C 13 17.424 0.250 . 1 . . . . A 32 ILE CG2 . 34746 1 383 . 1 . 1 32 32 ILE CD1 C 13 12.936 0.250 . 1 . . . . A 32 ILE CD1 . 34746 1 384 . 1 . 1 32 32 ILE N N 15 120.060 0.250 . 1 . . . . A 32 ILE N . 34746 1 385 . 1 . 1 33 33 GLY H H 1 9.074 0.020 . 1 . . . . A 33 GLY H . 34746 1 386 . 1 . 1 33 33 GLY HA2 H 1 4.320 0.020 . 2 . . . . A 33 GLY HA2 . 34746 1 387 . 1 . 1 33 33 GLY HA3 H 1 3.684 0.020 . 2 . . . . A 33 GLY HA3 . 34746 1 388 . 1 . 1 33 33 GLY C C 13 174.051 0.250 . 1 . . . . A 33 GLY C . 34746 1 389 . 1 . 1 33 33 GLY CA C 13 44.794 0.250 . 1 . . . . A 33 GLY CA . 34746 1 390 . 1 . 1 33 33 GLY N N 15 115.385 0.250 . 1 . . . . A 33 GLY N . 34746 1 391 . 1 . 1 34 34 LYS H H 1 7.638 0.020 . 1 . . . . A 34 LYS H . 34746 1 392 . 1 . 1 34 34 LYS HA H 1 4.533 0.020 . 1 . . . . A 34 LYS HA . 34746 1 393 . 1 . 1 34 34 LYS HB2 H 1 1.803 0.020 . 2 . . . . A 34 LYS HB2 . 34746 1 394 . 1 . 1 34 34 LYS HB3 H 1 1.710 0.020 . 2 . . . . A 34 LYS HB3 . 34746 1 395 . 1 . 1 34 34 LYS HG2 H 1 1.218 0.020 . 1 . . . . A 34 LYS HG2 . 34746 1 396 . 1 . 1 34 34 LYS HG3 H 1 1.242 0.020 . 1 . . . . A 34 LYS HG3 . 34746 1 397 . 1 . 1 34 34 LYS HD2 H 1 1.508 0.020 . 2 . . . . A 34 LYS HD2 . 34746 1 398 . 1 . 1 34 34 LYS HD3 H 1 1.547 0.020 . 2 . . . . A 34 LYS HD3 . 34746 1 399 . 1 . 1 34 34 LYS HE2 H 1 2.950 0.020 . 2 . . . . A 34 LYS HE2 . 34746 1 400 . 1 . 1 34 34 LYS HE3 H 1 2.950 0.020 . 2 . . . . A 34 LYS HE3 . 34746 1 401 . 1 . 1 34 34 LYS C C 13 174.920 0.250 . 1 . . . . A 34 LYS C . 34746 1 402 . 1 . 1 34 34 LYS CA C 13 54.458 0.250 . 1 . . . . A 34 LYS CA . 34746 1 403 . 1 . 1 34 34 LYS CB C 13 34.461 0.250 . 1 . . . . A 34 LYS CB . 34746 1 404 . 1 . 1 34 34 LYS CG C 13 25.564 0.250 . 1 . . . . A 34 LYS CG . 34746 1 405 . 1 . 1 34 34 LYS CD C 13 28.785 0.250 . 1 . . . . A 34 LYS CD . 34746 1 406 . 1 . 1 34 34 LYS CE C 13 42.365 0.250 . 1 . . . . A 34 LYS CE . 34746 1 407 . 1 . 1 34 34 LYS N N 15 118.924 0.250 . 1 . . . . A 34 LYS N . 34746 1 408 . 1 . 1 35 35 ASN H H 1 9.606 0.020 . 1 . . . . A 35 ASN H . 34746 1 409 . 1 . 1 35 35 ASN HA H 1 4.774 0.020 . 1 . . . . A 35 ASN HA . 34746 1 410 . 1 . 1 35 35 ASN HB2 H 1 2.695 0.020 . 2 . . . . A 35 ASN HB2 . 34746 1 411 . 1 . 1 35 35 ASN HB3 H 1 2.530 0.020 . 2 . . . . A 35 ASN HB3 . 34746 1 412 . 1 . 1 35 35 ASN HD21 H 1 7.240 0.020 . 2 . . . . A 35 ASN HD21 . 34746 1 413 . 1 . 1 35 35 ASN HD22 H 1 6.923 0.020 . 2 . . . . A 35 ASN HD22 . 34746 1 414 . 1 . 1 35 35 ASN C C 13 176.579 0.250 . 1 . . . . A 35 ASN C . 34746 1 415 . 1 . 1 35 35 ASN CA C 13 55.089 0.250 . 1 . . . . A 35 ASN CA . 34746 1 416 . 1 . 1 35 35 ASN CB C 13 41.290 0.250 . 1 . . . . A 35 ASN CB . 34746 1 417 . 1 . 1 35 35 ASN N N 15 119.759 0.250 . 1 . . . . A 35 ASN N . 34746 1 418 . 1 . 1 35 35 ASN ND2 N 15 112.160 0.250 . 1 . . . . A 35 ASN ND2 . 34746 1 419 . 1 . 1 36 36 PHE H H 1 9.280 0.020 . 1 . . . . A 36 PHE H . 34746 1 420 . 1 . 1 36 36 PHE HA H 1 3.636 0.020 . 1 . . . . A 36 PHE HA . 34746 1 421 . 1 . 1 36 36 PHE HB2 H 1 2.635 0.020 . 1 . . . . A 36 PHE HB2 . 34746 1 422 . 1 . 1 36 36 PHE HB3 H 1 1.821 0.020 . 1 . . . . A 36 PHE HB3 . 34746 1 423 . 1 . 1 36 36 PHE HD1 H 1 5.499 0.020 . 1 . . . . A 36 PHE HD1 . 34746 1 424 . 1 . 1 36 36 PHE HD2 H 1 5.499 0.020 . 1 . . . . A 36 PHE HD2 . 34746 1 425 . 1 . 1 36 36 PHE HE1 H 1 6.231 0.020 . 1 . . . . A 36 PHE HE1 . 34746 1 426 . 1 . 1 36 36 PHE HE2 H 1 6.231 0.020 . 1 . . . . A 36 PHE HE2 . 34746 1 427 . 1 . 1 36 36 PHE HZ H 1 6.033 0.020 . 1 . . . . A 36 PHE HZ . 34746 1 428 . 1 . 1 36 36 PHE C C 13 172.919 0.250 . 1 . . . . A 36 PHE C . 34746 1 429 . 1 . 1 36 36 PHE CA C 13 62.326 0.250 . 1 . . . . A 36 PHE CA . 34746 1 430 . 1 . 1 36 36 PHE CB C 13 40.407 0.250 . 1 . . . . A 36 PHE CB . 34746 1 431 . 1 . 1 36 36 PHE CD1 C 13 129.635 0.250 . 3 . . . . A 36 PHE CD1 . 34746 1 432 . 1 . 1 36 36 PHE CE1 C 13 131.246 0.250 . 3 . . . . A 36 PHE CE1 . 34746 1 433 . 1 . 1 36 36 PHE CZ C 13 128.404 0.250 . 1 . . . . A 36 PHE CZ . 34746 1 434 . 1 . 1 36 36 PHE N N 15 130.739 0.250 . 1 . . . . A 36 PHE N . 34746 1 435 . 1 . 1 37 37 PHE H H 1 6.270 0.020 . 1 . . . . A 37 PHE H . 34746 1 436 . 1 . 1 37 37 PHE HA H 1 3.526 0.020 . 1 . . . . A 37 PHE HA . 34746 1 437 . 1 . 1 37 37 PHE HB2 H 1 2.096 0.020 . 2 . . . . A 37 PHE HB2 . 34746 1 438 . 1 . 1 37 37 PHE HB3 H 1 2.096 0.020 . 2 . . . . A 37 PHE HB3 . 34746 1 439 . 1 . 1 37 37 PHE HD1 H 1 6.260 0.020 . 1 . . . . A 37 PHE HD1 . 34746 1 440 . 1 . 1 37 37 PHE HD2 H 1 6.260 0.020 . 1 . . . . A 37 PHE HD2 . 34746 1 441 . 1 . 1 37 37 PHE HE1 H 1 6.930 0.020 . 1 . . . . A 37 PHE HE1 . 34746 1 442 . 1 . 1 37 37 PHE HE2 H 1 6.930 0.020 . 1 . . . . A 37 PHE HE2 . 34746 1 443 . 1 . 1 37 37 PHE HZ H 1 6.260 0.020 . 1 . . . . A 37 PHE HZ . 34746 1 444 . 1 . 1 37 37 PHE C C 13 175.394 0.250 . 1 . . . . A 37 PHE C . 34746 1 445 . 1 . 1 37 37 PHE CA C 13 58.741 0.250 . 1 . . . . A 37 PHE CA . 34746 1 446 . 1 . 1 37 37 PHE CB C 13 39.323 0.250 . 1 . . . . A 37 PHE CB . 34746 1 447 . 1 . 1 37 37 PHE CD1 C 13 132.680 0.250 . 3 . . . . A 37 PHE CD1 . 34746 1 448 . 1 . 1 37 37 PHE CE1 C 13 130.688 0.250 . 3 . . . . A 37 PHE CE1 . 34746 1 449 . 1 . 1 37 37 PHE CZ C 13 128.726 0.250 . 1 . . . . A 37 PHE CZ . 34746 1 450 . 1 . 1 37 37 PHE N N 15 112.832 0.250 . 1 . . . . A 37 PHE N . 34746 1 451 . 1 . 1 38 38 LYS H H 1 7.909 0.020 . 1 . . . . A 38 LYS H . 34746 1 452 . 1 . 1 38 38 LYS HA H 1 4.266 0.020 . 1 . . . . A 38 LYS HA . 34746 1 453 . 1 . 1 38 38 LYS HB2 H 1 1.764 0.020 . 2 . . . . A 38 LYS HB2 . 34746 1 454 . 1 . 1 38 38 LYS HB3 H 1 1.392 0.020 . 2 . . . . A 38 LYS HB3 . 34746 1 455 . 1 . 1 38 38 LYS HG2 H 1 1.286 0.020 . 2 . . . . A 38 LYS HG2 . 34746 1 456 . 1 . 1 38 38 LYS HG3 H 1 1.192 0.020 . 2 . . . . A 38 LYS HG3 . 34746 1 457 . 1 . 1 38 38 LYS HD2 H 1 1.498 0.020 . 2 . . . . A 38 LYS HD2 . 34746 1 458 . 1 . 1 38 38 LYS HD3 H 1 1.422 0.020 . 2 . . . . A 38 LYS HD3 . 34746 1 459 . 1 . 1 38 38 LYS HE2 H 1 2.896 0.020 . 2 . . . . A 38 LYS HE2 . 34746 1 460 . 1 . 1 38 38 LYS HE3 H 1 2.693 0.020 . 2 . . . . A 38 LYS HE3 . 34746 1 461 . 1 . 1 38 38 LYS C C 13 176.869 0.250 . 1 . . . . A 38 LYS C . 34746 1 462 . 1 . 1 38 38 LYS CA C 13 55.250 0.250 . 1 . . . . A 38 LYS CA . 34746 1 463 . 1 . 1 38 38 LYS CB C 13 33.349 0.250 . 1 . . . . A 38 LYS CB . 34746 1 464 . 1 . 1 38 38 LYS CG C 13 24.359 0.250 . 1 . . . . A 38 LYS CG . 34746 1 465 . 1 . 1 38 38 LYS CD C 13 28.110 0.250 . 1 . . . . A 38 LYS CD . 34746 1 466 . 1 . 1 38 38 LYS CE C 13 41.939 0.250 . 1 . . . . A 38 LYS CE . 34746 1 467 . 1 . 1 38 38 LYS N N 15 109.891 0.250 . 1 . . . . A 38 LYS N . 34746 1 468 . 1 . 1 39 39 ASP H H 1 7.273 0.020 . 1 . . . . A 39 ASP H . 34746 1 469 . 1 . 1 39 39 ASP HA H 1 4.801 0.020 . 1 . . . . A 39 ASP HA . 34746 1 470 . 1 . 1 39 39 ASP HB2 H 1 2.902 0.020 . 2 . . . . A 39 ASP HB2 . 34746 1 471 . 1 . 1 39 39 ASP HB3 H 1 2.832 0.020 . 2 . . . . A 39 ASP HB3 . 34746 1 472 . 1 . 1 39 39 ASP C C 13 176.000 0.250 . 1 . . . . A 39 ASP C . 34746 1 473 . 1 . 1 39 39 ASP CA C 13 55.398 0.250 . 1 . . . . A 39 ASP CA . 34746 1 474 . 1 . 1 39 39 ASP CB C 13 43.644 0.250 . 1 . . . . A 39 ASP CB . 34746 1 475 . 1 . 1 39 39 ASP N N 15 114.501 0.250 . 1 . . . . A 39 ASP N . 34746 1 476 . 1 . 1 40 40 VAL H H 1 7.293 0.020 . 1 . . . . A 40 VAL H . 34746 1 477 . 1 . 1 40 40 VAL HA H 1 3.697 0.020 . 1 . . . . A 40 VAL HA . 34746 1 478 . 1 . 1 40 40 VAL HB H 1 1.777 0.020 . 1 . . . . A 40 VAL HB . 34746 1 479 . 1 . 1 40 40 VAL HG11 H 1 0.816 0.020 . 2 . . . . A 40 VAL HG11 . 34746 1 480 . 1 . 1 40 40 VAL HG12 H 1 0.816 0.020 . 2 . . . . A 40 VAL HG12 . 34746 1 481 . 1 . 1 40 40 VAL HG13 H 1 0.816 0.020 . 2 . . . . A 40 VAL HG13 . 34746 1 482 . 1 . 1 40 40 VAL HG21 H 1 0.717 0.020 . 2 . . . . A 40 VAL HG21 . 34746 1 483 . 1 . 1 40 40 VAL HG22 H 1 0.717 0.020 . 2 . . . . A 40 VAL HG22 . 34746 1 484 . 1 . 1 40 40 VAL HG23 H 1 0.717 0.020 . 2 . . . . A 40 VAL HG23 . 34746 1 485 . 1 . 1 40 40 VAL C C 13 174.723 0.250 . 1 . . . . A 40 VAL C . 34746 1 486 . 1 . 1 40 40 VAL CA C 13 64.900 0.250 . 1 . . . . A 40 VAL CA . 34746 1 487 . 1 . 1 40 40 VAL CB C 13 33.135 0.250 . 1 . . . . A 40 VAL CB . 34746 1 488 . 1 . 1 40 40 VAL CG1 C 13 22.758 0.250 . 2 . . . . A 40 VAL CG1 . 34746 1 489 . 1 . 1 40 40 VAL CG2 C 13 20.658 0.250 . 2 . . . . A 40 VAL CG2 . 34746 1 490 . 1 . 1 40 40 VAL N N 15 117.081 0.250 . 1 . . . . A 40 VAL N . 34746 1 491 . 1 . 1 41 41 ALA H H 1 8.018 0.020 . 1 . . . . A 41 ALA H . 34746 1 492 . 1 . 1 41 41 ALA HA H 1 4.938 0.020 . 1 . . . . A 41 ALA HA . 34746 1 493 . 1 . 1 41 41 ALA HB1 H 1 -0.186 0.020 . 1 . . . . A 41 ALA HB1 . 34746 1 494 . 1 . 1 41 41 ALA HB2 H 1 -0.186 0.020 . 1 . . . . A 41 ALA HB2 . 34746 1 495 . 1 . 1 41 41 ALA HB3 H 1 -0.186 0.020 . 1 . . . . A 41 ALA HB3 . 34746 1 496 . 1 . 1 41 41 ALA C C 13 173.512 0.250 . 1 . . . . A 41 ALA C . 34746 1 497 . 1 . 1 41 41 ALA CA C 13 49.356 0.250 . 1 . . . . A 41 ALA CA . 34746 1 498 . 1 . 1 41 41 ALA CB C 13 19.413 0.250 . 1 . . . . A 41 ALA CB . 34746 1 499 . 1 . 1 41 41 ALA N N 15 121.739 0.250 . 1 . . . . A 41 ALA N . 34746 1 500 . 1 . 1 42 42 PRO HA H 1 4.545 0.020 . 1 . . . . A 42 PRO HA . 34746 1 501 . 1 . 1 42 42 PRO HB2 H 1 2.108 0.020 . 1 . . . . A 42 PRO HB2 . 34746 1 502 . 1 . 1 42 42 PRO HB3 H 1 1.950 0.020 . 1 . . . . A 42 PRO HB3 . 34746 1 503 . 1 . 1 42 42 PRO HG2 H 1 1.924 0.020 . 2 . . . . A 42 PRO HG2 . 34746 1 504 . 1 . 1 42 42 PRO HG3 H 1 1.744 0.020 . 2 . . . . A 42 PRO HG3 . 34746 1 505 . 1 . 1 42 42 PRO HD2 H 1 3.748 0.020 . 2 . . . . A 42 PRO HD2 . 34746 1 506 . 1 . 1 42 42 PRO HD3 H 1 3.006 0.020 . 2 . . . . A 42 PRO HD3 . 34746 1 507 . 1 . 1 42 42 PRO C C 13 178.831 0.250 . 1 . . . . A 42 PRO C . 34746 1 508 . 1 . 1 42 42 PRO CA C 13 64.877 0.250 . 1 . . . . A 42 PRO CA . 34746 1 509 . 1 . 1 42 42 PRO CB C 13 31.059 0.250 . 1 . . . . A 42 PRO CB . 34746 1 510 . 1 . 1 42 42 PRO CG C 13 27.568 0.250 . 1 . . . . A 42 PRO CG . 34746 1 511 . 1 . 1 42 42 PRO CD C 13 50.298 0.250 . 1 . . . . A 42 PRO CD . 34746 1 512 . 1 . 1 43 43 GLY H H 1 7.357 0.020 . 1 . . . . A 43 GLY H . 34746 1 513 . 1 . 1 43 43 GLY HA2 H 1 4.789 0.020 . 2 . . . . A 43 GLY HA2 . 34746 1 514 . 1 . 1 43 43 GLY HA3 H 1 4.122 0.020 . 2 . . . . A 43 GLY HA3 . 34746 1 515 . 1 . 1 43 43 GLY C C 13 175.105 0.250 . 1 . . . . A 43 GLY C . 34746 1 516 . 1 . 1 43 43 GLY CA C 13 47.280 0.250 . 1 . . . . A 43 GLY CA . 34746 1 517 . 1 . 1 43 43 GLY N N 15 106.641 0.250 . 1 . . . . A 43 GLY N . 34746 1 518 . 1 . 1 44 44 THR H H 1 8.026 0.020 . 1 . . . . A 44 THR H . 34746 1 519 . 1 . 1 44 44 THR HA H 1 4.318 0.020 . 1 . . . . A 44 THR HA . 34746 1 520 . 1 . 1 44 44 THR HB H 1 3.139 0.020 . 1 . . . . A 44 THR HB . 34746 1 521 . 1 . 1 44 44 THR HG1 H 1 3.914 0.020 . 1 . . . . A 44 THR HG1 . 34746 1 522 . 1 . 1 44 44 THR HG21 H 1 0.466 0.020 . 1 . . . . A 44 THR HG21 . 34746 1 523 . 1 . 1 44 44 THR HG22 H 1 0.466 0.020 . 1 . . . . A 44 THR HG22 . 34746 1 524 . 1 . 1 44 44 THR HG23 H 1 0.466 0.020 . 1 . . . . A 44 THR HG23 . 34746 1 525 . 1 . 1 44 44 THR C C 13 175.539 0.250 . 1 . . . . A 44 THR C . 34746 1 526 . 1 . 1 44 44 THR CA C 13 63.381 0.250 . 1 . . . . A 44 THR CA . 34746 1 527 . 1 . 1 44 44 THR CB C 13 68.489 0.250 . 1 . . . . A 44 THR CB . 34746 1 528 . 1 . 1 44 44 THR CG2 C 13 22.837 0.250 . 1 . . . . A 44 THR CG2 . 34746 1 529 . 1 . 1 44 44 THR N N 15 109.446 0.250 . 1 . . . . A 44 THR N . 34746 1 530 . 1 . 1 45 45 ASP H H 1 7.619 0.020 . 1 . . . . A 45 ASP H . 34746 1 531 . 1 . 1 45 45 ASP HA H 1 4.653 0.020 . 1 . . . . A 45 ASP HA . 34746 1 532 . 1 . 1 45 45 ASP HB2 H 1 3.173 0.020 . 2 . . . . A 45 ASP HB2 . 34746 1 533 . 1 . 1 45 45 ASP HB3 H 1 2.629 0.020 . 2 . . . . A 45 ASP HB3 . 34746 1 534 . 1 . 1 45 45 ASP C C 13 173.762 0.250 . 1 . . . . A 45 ASP C . 34746 1 535 . 1 . 1 45 45 ASP CA C 13 53.547 0.250 . 1 . . . . A 45 ASP CA . 34746 1 536 . 1 . 1 45 45 ASP CB C 13 37.965 0.250 . 1 . . . . A 45 ASP CB . 34746 1 537 . 1 . 1 45 45 ASP N N 15 123.577 0.250 . 1 . . . . A 45 ASP N . 34746 1 538 . 1 . 1 46 46 SER H H 1 8.320 0.020 . 1 . . . . A 46 SER H . 34746 1 539 . 1 . 1 46 46 SER HA H 1 5.232 0.020 . 1 . . . . A 46 SER HA . 34746 1 540 . 1 . 1 46 46 SER HB2 H 1 4.449 0.020 . 2 . . . . A 46 SER HB2 . 34746 1 541 . 1 . 1 46 46 SER HB3 H 1 3.872 0.020 . 2 . . . . A 46 SER HB3 . 34746 1 542 . 1 . 1 46 46 SER C C 13 174.749 0.250 . 1 . . . . A 46 SER C . 34746 1 543 . 1 . 1 46 46 SER CA C 13 55.367 0.250 . 1 . . . . A 46 SER CA . 34746 1 544 . 1 . 1 46 46 SER CB C 13 65.522 0.250 . 1 . . . . A 46 SER CB . 34746 1 545 . 1 . 1 46 46 SER N N 15 120.092 0.250 . 1 . . . . A 46 SER N . 34746 1 546 . 1 . 1 47 47 PRO HA H 1 4.318 0.020 . 1 . . . . A 47 PRO HA . 34746 1 547 . 1 . 1 47 47 PRO HB2 H 1 2.485 0.020 . 1 . . . . A 47 PRO HB2 . 34746 1 548 . 1 . 1 47 47 PRO HB3 H 1 2.011 0.020 . 1 . . . . A 47 PRO HB3 . 34746 1 549 . 1 . 1 47 47 PRO HG2 H 1 2.241 0.020 . 2 . . . . A 47 PRO HG2 . 34746 1 550 . 1 . 1 47 47 PRO HG3 H 1 2.064 0.020 . 2 . . . . A 47 PRO HG3 . 34746 1 551 . 1 . 1 47 47 PRO HD2 H 1 4.087 0.020 . 1 . . . . A 47 PRO HD2 . 34746 1 552 . 1 . 1 47 47 PRO HD3 H 1 4.059 0.020 . 1 . . . . A 47 PRO HD3 . 34746 1 553 . 1 . 1 47 47 PRO C C 13 177.251 0.250 . 1 . . . . A 47 PRO C . 34746 1 554 . 1 . 1 47 47 PRO CA C 13 65.349 0.250 . 1 . . . . A 47 PRO CA . 34746 1 555 . 1 . 1 47 47 PRO CB C 13 32.313 0.250 . 1 . . . . A 47 PRO CB . 34746 1 556 . 1 . 1 47 47 PRO CG C 13 27.648 0.250 . 1 . . . . A 47 PRO CG . 34746 1 557 . 1 . 1 47 47 PRO CD C 13 51.554 0.250 . 1 . . . . A 47 PRO CD . 34746 1 558 . 1 . 1 48 48 GLU H H 1 8.538 0.020 . 1 . . . . A 48 GLU H . 34746 1 559 . 1 . 1 48 48 GLU HA H 1 4.068 0.020 . 1 . . . . A 48 GLU HA . 34746 1 560 . 1 . 1 48 48 GLU HB2 H 1 2.112 0.020 . 2 . . . . A 48 GLU HB2 . 34746 1 561 . 1 . 1 48 48 GLU HB3 H 1 2.270 0.020 . 2 . . . . A 48 GLU HB3 . 34746 1 562 . 1 . 1 48 48 GLU HG2 H 1 2.440 0.020 . 2 . . . . A 48 GLU HG2 . 34746 1 563 . 1 . 1 48 48 GLU HG3 H 1 2.440 0.020 . 2 . . . . A 48 GLU HG3 . 34746 1 564 . 1 . 1 48 48 GLU C C 13 174.104 0.250 . 1 . . . . A 48 GLU C . 34746 1 565 . 1 . 1 48 48 GLU CA C 13 57.589 0.250 . 1 . . . . A 48 GLU CA . 34746 1 566 . 1 . 1 48 48 GLU CB C 13 29.894 0.250 . 1 . . . . A 48 GLU CB . 34746 1 567 . 1 . 1 48 48 GLU CG C 13 36.609 0.250 . 1 . . . . A 48 GLU CG . 34746 1 568 . 1 . 1 48 48 GLU N N 15 112.684 0.250 . 1 . . . . A 48 GLU N . 34746 1 569 . 1 . 1 49 49 PHE H H 1 7.613 0.020 . 1 . . . . A 49 PHE H . 34746 1 570 . 1 . 1 49 49 PHE HA H 1 4.635 0.020 . 1 . . . . A 49 PHE HA . 34746 1 571 . 1 . 1 49 49 PHE HB2 H 1 2.068 0.020 . 2 . . . . A 49 PHE HB2 . 34746 1 572 . 1 . 1 49 49 PHE HB3 H 1 3.982 0.020 . 2 . . . . A 49 PHE HB3 . 34746 1 573 . 1 . 1 49 49 PHE HD1 H 1 6.490 0.020 . 1 . . . . A 49 PHE HD1 . 34746 1 574 . 1 . 1 49 49 PHE HD2 H 1 6.490 0.020 . 1 . . . . A 49 PHE HD2 . 34746 1 575 . 1 . 1 49 49 PHE HE1 H 1 6.926 0.020 . 1 . . . . A 49 PHE HE1 . 34746 1 576 . 1 . 1 49 49 PHE HE2 H 1 6.926 0.020 . 1 . . . . A 49 PHE HE2 . 34746 1 577 . 1 . 1 49 49 PHE HZ H 1 6.873 0.020 . 1 . . . . A 49 PHE HZ . 34746 1 578 . 1 . 1 49 49 PHE C C 13 175.592 0.250 . 1 . . . . A 49 PHE C . 34746 1 579 . 1 . 1 49 49 PHE CA C 13 57.027 0.250 . 1 . . . . A 49 PHE CA . 34746 1 580 . 1 . 1 49 49 PHE CB C 13 39.166 0.250 . 1 . . . . A 49 PHE CB . 34746 1 581 . 1 . 1 49 49 PHE CD1 C 13 132.734 0.250 . 3 . . . . A 49 PHE CD1 . 34746 1 582 . 1 . 1 49 49 PHE CE1 C 13 131.215 0.250 . 3 . . . . A 49 PHE CE1 . 34746 1 583 . 1 . 1 49 49 PHE CZ C 13 127.820 0.250 . 1 . . . . A 49 PHE CZ . 34746 1 584 . 1 . 1 49 49 PHE N N 15 117.643 0.250 . 1 . . . . A 49 PHE N . 34746 1 585 . 1 . 1 50 50 TYR H H 1 8.711 0.020 . 1 . . . . A 50 TYR H . 34746 1 586 . 1 . 1 50 50 TYR HA H 1 3.928 0.020 . 1 . . . . A 50 TYR HA . 34746 1 587 . 1 . 1 50 50 TYR HB2 H 1 2.998 0.020 . 2 . . . . A 50 TYR HB2 . 34746 1 588 . 1 . 1 50 50 TYR HB3 H 1 3.393 0.020 . 2 . . . . A 50 TYR HB3 . 34746 1 589 . 1 . 1 50 50 TYR HD1 H 1 6.079 0.020 . 1 . . . . A 50 TYR HD1 . 34746 1 590 . 1 . 1 50 50 TYR HD2 H 1 6.079 0.020 . 1 . . . . A 50 TYR HD2 . 34746 1 591 . 1 . 1 50 50 TYR HE1 H 1 6.478 0.020 . 1 . . . . A 50 TYR HE1 . 34746 1 592 . 1 . 1 50 50 TYR HE2 H 1 6.478 0.020 . 1 . . . . A 50 TYR HE2 . 34746 1 593 . 1 . 1 50 50 TYR C C 13 176.882 0.250 . 1 . . . . A 50 TYR C . 34746 1 594 . 1 . 1 50 50 TYR CA C 13 59.327 0.250 . 1 . . . . A 50 TYR CA . 34746 1 595 . 1 . 1 50 50 TYR CB C 13 38.550 0.250 . 1 . . . . A 50 TYR CB . 34746 1 596 . 1 . 1 50 50 TYR CD1 C 13 132.603 0.250 . 3 . . . . A 50 TYR CD1 . 34746 1 597 . 1 . 1 50 50 TYR CE1 C 13 116.882 0.250 . 3 . . . . A 50 TYR CE1 . 34746 1 598 . 1 . 1 50 50 TYR N N 15 122.966 0.250 . 1 . . . . A 50 TYR N . 34746 1 599 . 1 . 1 51 51 GLY H H 1 8.727 0.020 . 1 . . . . A 51 GLY H . 34746 1 600 . 1 . 1 51 51 GLY HA2 H 1 4.039 0.020 . 2 . . . . A 51 GLY HA2 . 34746 1 601 . 1 . 1 51 51 GLY HA3 H 1 3.454 0.020 . 2 . . . . A 51 GLY HA3 . 34746 1 602 . 1 . 1 51 51 GLY C C 13 176.369 0.250 . 1 . . . . A 51 GLY C . 34746 1 603 . 1 . 1 51 51 GLY CA C 13 47.893 0.250 . 1 . . . . A 51 GLY CA . 34746 1 604 . 1 . 1 51 51 GLY N N 15 103.370 0.250 . 1 . . . . A 51 GLY N . 34746 1 605 . 1 . 1 52 52 LYS H H 1 6.500 0.020 . 1 . . . . A 52 LYS H . 34746 1 606 . 1 . 1 52 52 LYS HA H 1 4.084 0.020 . 1 . . . . A 52 LYS HA . 34746 1 607 . 1 . 1 52 52 LYS HB2 H 1 1.771 0.020 . 1 . . . . A 52 LYS HB2 . 34746 1 608 . 1 . 1 52 52 LYS HB3 H 1 1.675 0.020 . 1 . . . . A 52 LYS HB3 . 34746 1 609 . 1 . 1 52 52 LYS HG2 H 1 1.406 0.020 . 2 . . . . A 52 LYS HG2 . 34746 1 610 . 1 . 1 52 52 LYS HG3 H 1 1.406 0.020 . 2 . . . . A 52 LYS HG3 . 34746 1 611 . 1 . 1 52 52 LYS HD2 H 1 1.568 0.020 . 2 . . . . A 52 LYS HD2 . 34746 1 612 . 1 . 1 52 52 LYS HD3 H 1 1.385 0.020 . 2 . . . . A 52 LYS HD3 . 34746 1 613 . 1 . 1 52 52 LYS HE2 H 1 2.890 0.020 . 2 . . . . A 52 LYS HE2 . 34746 1 614 . 1 . 1 52 52 LYS HE3 H 1 2.890 0.020 . 2 . . . . A 52 LYS HE3 . 34746 1 615 . 1 . 1 52 52 LYS C C 13 179.279 0.250 . 1 . . . . A 52 LYS C . 34746 1 616 . 1 . 1 52 52 LYS CA C 13 58.495 0.250 . 1 . . . . A 52 LYS CA . 34746 1 617 . 1 . 1 52 52 LYS CB C 13 32.572 0.250 . 1 . . . . A 52 LYS CB . 34746 1 618 . 1 . 1 52 52 LYS CG C 13 25.381 0.250 . 1 . . . . A 52 LYS CG . 34746 1 619 . 1 . 1 52 52 LYS CD C 13 28.911 0.250 . 1 . . . . A 52 LYS CD . 34746 1 620 . 1 . 1 52 52 LYS CE C 13 42.191 0.250 . 1 . . . . A 52 LYS CE . 34746 1 621 . 1 . 1 52 52 LYS N N 15 119.923 0.250 . 1 . . . . A 52 LYS N . 34746 1 622 . 1 . 1 53 53 PHE H H 1 8.176 0.020 . 1 . . . . A 53 PHE H . 34746 1 623 . 1 . 1 53 53 PHE HA H 1 4.085 0.020 . 1 . . . . A 53 PHE HA . 34746 1 624 . 1 . 1 53 53 PHE HB2 H 1 3.250 0.020 . 1 . . . . A 53 PHE HB2 . 34746 1 625 . 1 . 1 53 53 PHE HB3 H 1 3.075 0.020 . 1 . . . . A 53 PHE HB3 . 34746 1 626 . 1 . 1 53 53 PHE HD1 H 1 6.971 0.020 . 1 . . . . A 53 PHE HD1 . 34746 1 627 . 1 . 1 53 53 PHE HD2 H 1 6.971 0.020 . 1 . . . . A 53 PHE HD2 . 34746 1 628 . 1 . 1 53 53 PHE HE1 H 1 6.950 0.020 . 1 . . . . A 53 PHE HE1 . 34746 1 629 . 1 . 1 53 53 PHE HE2 H 1 6.950 0.020 . 1 . . . . A 53 PHE HE2 . 34746 1 630 . 1 . 1 53 53 PHE HZ H 1 7.457 0.020 . 1 . . . . A 53 PHE HZ . 34746 1 631 . 1 . 1 53 53 PHE C C 13 175.460 0.250 . 1 . . . . A 53 PHE C . 34746 1 632 . 1 . 1 53 53 PHE CA C 13 61.434 0.250 . 1 . . . . A 53 PHE CA . 34746 1 633 . 1 . 1 53 53 PHE CB C 13 38.797 0.250 . 1 . . . . A 53 PHE CB . 34746 1 634 . 1 . 1 53 53 PHE CD1 C 13 131.308 0.250 . 3 . . . . A 53 PHE CD1 . 34746 1 635 . 1 . 1 53 53 PHE CE1 C 13 131.249 0.250 . 3 . . . . A 53 PHE CE1 . 34746 1 636 . 1 . 1 53 53 PHE CZ C 13 130.938 0.250 . 1 . . . . A 53 PHE CZ . 34746 1 637 . 1 . 1 53 53 PHE N N 15 122.209 0.250 . 1 . . . . A 53 PHE N . 34746 1 638 . 1 . 1 54 54 LYS H H 1 8.580 0.020 . 1 . . . . A 54 LYS H . 34746 1 639 . 1 . 1 54 54 LYS HA H 1 3.453 0.020 . 1 . . . . A 54 LYS HA . 34746 1 640 . 1 . 1 54 54 LYS HB2 H 1 1.450 0.020 . 2 . . . . A 54 LYS HB2 . 34746 1 641 . 1 . 1 54 54 LYS HB3 H 1 1.450 0.020 . 2 . . . . A 54 LYS HB3 . 34746 1 642 . 1 . 1 54 54 LYS HG2 H 1 1.032 0.020 . 2 . . . . A 54 LYS HG2 . 34746 1 643 . 1 . 1 54 54 LYS HG3 H 1 1.117 0.020 . 2 . . . . A 54 LYS HG3 . 34746 1 644 . 1 . 1 54 54 LYS HD2 H 1 1.296 0.020 . 2 . . . . A 54 LYS HD2 . 34746 1 645 . 1 . 1 54 54 LYS HD3 H 1 1.296 0.020 . 2 . . . . A 54 LYS HD3 . 34746 1 646 . 1 . 1 54 54 LYS HE2 H 1 2.583 0.020 . 2 . . . . A 54 LYS HE2 . 34746 1 647 . 1 . 1 54 54 LYS HE3 H 1 2.282 0.020 . 2 . . . . A 54 LYS HE3 . 34746 1 648 . 1 . 1 54 54 LYS C C 13 179.818 0.250 . 1 . . . . A 54 LYS C . 34746 1 649 . 1 . 1 54 54 LYS CA C 13 59.192 0.250 . 1 . . . . A 54 LYS CA . 34746 1 650 . 1 . 1 54 54 LYS CB C 13 31.622 0.250 . 1 . . . . A 54 LYS CB . 34746 1 651 . 1 . 1 54 54 LYS CG C 13 24.616 0.250 . 1 . . . . A 54 LYS CG . 34746 1 652 . 1 . 1 54 54 LYS CD C 13 28.630 0.250 . 1 . . . . A 54 LYS CD . 34746 1 653 . 1 . 1 54 54 LYS CE C 13 41.227 0.250 . 1 . . . . A 54 LYS CE . 34746 1 654 . 1 . 1 54 54 LYS N N 15 117.898 0.250 . 1 . . . . A 54 LYS N . 34746 1 655 . 1 . 1 55 55 GLU H H 1 7.699 0.020 . 1 . . . . A 55 GLU H . 34746 1 656 . 1 . 1 55 55 GLU HA H 1 3.988 0.020 . 1 . . . . A 55 GLU HA . 34746 1 657 . 1 . 1 55 55 GLU HB2 H 1 2.024 0.020 . 2 . . . . A 55 GLU HB2 . 34746 1 658 . 1 . 1 55 55 GLU HB3 H 1 2.024 0.020 . 2 . . . . A 55 GLU HB3 . 34746 1 659 . 1 . 1 55 55 GLU HG2 H 1 2.355 0.020 . 2 . . . . A 55 GLU HG2 . 34746 1 660 . 1 . 1 55 55 GLU HG3 H 1 2.204 0.020 . 2 . . . . A 55 GLU HG3 . 34746 1 661 . 1 . 1 55 55 GLU C C 13 178.936 0.250 . 1 . . . . A 55 GLU C . 34746 1 662 . 1 . 1 55 55 GLU CA C 13 59.059 0.250 . 1 . . . . A 55 GLU CA . 34746 1 663 . 1 . 1 55 55 GLU CB C 13 29.654 0.250 . 1 . . . . A 55 GLU CB . 34746 1 664 . 1 . 1 55 55 GLU CG C 13 36.094 0.250 . 1 . . . . A 55 GLU CG . 34746 1 665 . 1 . 1 55 55 GLU N N 15 118.620 0.250 . 1 . . . . A 55 GLU N . 34746 1 666 . 1 . 1 56 56 GLY H H 1 7.871 0.020 . 1 . . . . A 56 GLY H . 34746 1 667 . 1 . 1 56 56 GLY HA2 H 1 4.130 0.020 . 1 . . . . A 56 GLY HA2 . 34746 1 668 . 1 . 1 56 56 GLY HA3 H 1 3.557 0.020 . 1 . . . . A 56 GLY HA3 . 34746 1 669 . 1 . 1 56 56 GLY C C 13 175.911 0.250 . 1 . . . . A 56 GLY C . 34746 1 670 . 1 . 1 56 56 GLY CA C 13 46.832 0.250 . 1 . . . . A 56 GLY CA . 34746 1 671 . 1 . 1 56 56 GLY N N 15 108.347 0.250 . 1 . . . . A 56 GLY N . 34746 1 672 . 1 . 1 57 57 VAL H H 1 8.319 0.020 . 1 . . . . A 57 VAL H . 34746 1 673 . 1 . 1 57 57 VAL HA H 1 3.349 0.020 . 1 . . . . A 57 VAL HA . 34746 1 674 . 1 . 1 57 57 VAL HB H 1 1.508 0.020 . 1 . . . . A 57 VAL HB . 34746 1 675 . 1 . 1 57 57 VAL HG11 H 1 0.661 0.020 . 2 . . . . A 57 VAL HG11 . 34746 1 676 . 1 . 1 57 57 VAL HG12 H 1 0.661 0.020 . 2 . . . . A 57 VAL HG12 . 34746 1 677 . 1 . 1 57 57 VAL HG13 H 1 0.661 0.020 . 2 . . . . A 57 VAL HG13 . 34746 1 678 . 1 . 1 57 57 VAL HG21 H 1 -0.565 0.020 . 2 . . . . A 57 VAL HG21 . 34746 1 679 . 1 . 1 57 57 VAL HG22 H 1 -0.565 0.020 . 2 . . . . A 57 VAL HG22 . 34746 1 680 . 1 . 1 57 57 VAL HG23 H 1 -0.565 0.020 . 2 . . . . A 57 VAL HG23 . 34746 1 681 . 1 . 1 57 57 VAL C C 13 179.384 0.250 . 1 . . . . A 57 VAL C . 34746 1 682 . 1 . 1 57 57 VAL CA C 13 65.914 0.250 . 1 . . . . A 57 VAL CA . 34746 1 683 . 1 . 1 57 57 VAL CB C 13 31.716 0.250 . 1 . . . . A 57 VAL CB . 34746 1 684 . 1 . 1 57 57 VAL CG1 C 13 20.270 0.250 . 2 . . . . A 57 VAL CG1 . 34746 1 685 . 1 . 1 57 57 VAL CG2 C 13 20.468 0.250 . 2 . . . . A 57 VAL CG2 . 34746 1 686 . 1 . 1 57 57 VAL N N 15 124.143 0.250 . 1 . . . . A 57 VAL N . 34746 1 687 . 1 . 1 58 58 ALA H H 1 7.671 0.020 . 1 . . . . A 58 ALA H . 34746 1 688 . 1 . 1 58 58 ALA HA H 1 4.061 0.020 . 1 . . . . A 58 ALA HA . 34746 1 689 . 1 . 1 58 58 ALA HB1 H 1 1.420 0.020 . 1 . . . . A 58 ALA HB1 . 34746 1 690 . 1 . 1 58 58 ALA HB2 H 1 1.420 0.020 . 1 . . . . A 58 ALA HB2 . 34746 1 691 . 1 . 1 58 58 ALA HB3 H 1 1.420 0.020 . 1 . . . . A 58 ALA HB3 . 34746 1 692 . 1 . 1 58 58 ALA C C 13 179.676 0.250 . 1 . . . . A 58 ALA C . 34746 1 693 . 1 . 1 58 58 ALA CA C 13 54.728 0.250 . 1 . . . . A 58 ALA CA . 34746 1 694 . 1 . 1 58 58 ALA CB C 13 18.189 0.250 . 1 . . . . A 58 ALA CB . 34746 1 695 . 1 . 1 58 58 ALA N N 15 120.506 0.250 . 1 . . . . A 58 ALA N . 34746 1 696 . 1 . 1 59 59 SER H H 1 8.091 0.020 . 1 . . . . A 59 SER H . 34746 1 697 . 1 . 1 59 59 SER HA H 1 4.395 0.020 . 1 . . . . A 59 SER HA . 34746 1 698 . 1 . 1 59 59 SER HB2 H 1 4.094 0.020 . 1 . . . . A 59 SER HB2 . 34746 1 699 . 1 . 1 59 59 SER HB3 H 1 4.014 0.020 . 1 . . . . A 59 SER HB3 . 34746 1 700 . 1 . 1 59 59 SER C C 13 175.658 0.250 . 1 . . . . A 59 SER C . 34746 1 701 . 1 . 1 59 59 SER CA C 13 59.169 0.250 . 1 . . . . A 59 SER CA . 34746 1 702 . 1 . 1 59 59 SER CB C 13 64.279 0.250 . 1 . . . . A 59 SER CB . 34746 1 703 . 1 . 1 59 59 SER N N 15 110.514 0.250 . 1 . . . . A 59 SER N . 34746 1 704 . 1 . 1 60 60 GLY H H 1 7.788 0.020 . 1 . . . . A 60 GLY H . 34746 1 705 . 1 . 1 60 60 GLY HA2 H 1 4.260 0.020 . 2 . . . . A 60 GLY HA2 . 34746 1 706 . 1 . 1 60 60 GLY HA3 H 1 3.988 0.020 . 2 . . . . A 60 GLY HA3 . 34746 1 707 . 1 . 1 60 60 GLY C C 13 173.472 0.250 . 1 . . . . A 60 GLY C . 34746 1 708 . 1 . 1 60 60 GLY CA C 13 45.832 0.250 . 1 . . . . A 60 GLY CA . 34746 1 709 . 1 . 1 60 60 GLY N N 15 110.453 0.250 . 1 . . . . A 60 GLY N . 34746 1 710 . 1 . 1 61 61 ASN H H 1 8.141 0.020 . 1 . . . . A 61 ASN H . 34746 1 711 . 1 . 1 61 61 ASN HA H 1 4.952 0.020 . 1 . . . . A 61 ASN HA . 34746 1 712 . 1 . 1 61 61 ASN HB2 H 1 2.757 0.020 . 2 . . . . A 61 ASN HB2 . 34746 1 713 . 1 . 1 61 61 ASN HB3 H 1 2.757 0.020 . 2 . . . . A 61 ASN HB3 . 34746 1 714 . 1 . 1 61 61 ASN HD21 H 1 7.538 0.020 . 1 . . . . A 61 ASN HD21 . 34746 1 715 . 1 . 1 61 61 ASN HD22 H 1 6.927 0.020 . 1 . . . . A 61 ASN HD22 . 34746 1 716 . 1 . 1 61 61 ASN C C 13 173.498 0.250 . 1 . . . . A 61 ASN C . 34746 1 717 . 1 . 1 61 61 ASN CA C 13 52.013 0.250 . 1 . . . . A 61 ASN CA . 34746 1 718 . 1 . 1 61 61 ASN CB C 13 39.635 0.250 . 1 . . . . A 61 ASN CB . 34746 1 719 . 1 . 1 61 61 ASN N N 15 117.884 0.250 . 1 . . . . A 61 ASN N . 34746 1 720 . 1 . 1 61 61 ASN ND2 N 15 112.136 0.250 . 1 . . . . A 61 ASN ND2 . 34746 1 721 . 1 . 1 62 62 LEU H H 1 7.788 0.020 . 1 . . . . A 62 LEU H . 34746 1 722 . 1 . 1 62 62 LEU HA H 1 4.396 0.020 . 1 . . . . A 62 LEU HA . 34746 1 723 . 1 . 1 62 62 LEU HB2 H 1 1.935 0.020 . 1 . . . . A 62 LEU HB2 . 34746 1 724 . 1 . 1 62 62 LEU HB3 H 1 1.001 0.020 . 1 . . . . A 62 LEU HB3 . 34746 1 725 . 1 . 1 62 62 LEU HG H 1 1.491 0.020 . 1 . . . . A 62 LEU HG . 34746 1 726 . 1 . 1 62 62 LEU HD11 H 1 1.074 0.020 . 2 . . . . A 62 LEU HD11 . 34746 1 727 . 1 . 1 62 62 LEU HD12 H 1 1.074 0.020 . 2 . . . . A 62 LEU HD12 . 34746 1 728 . 1 . 1 62 62 LEU HD13 H 1 1.074 0.020 . 2 . . . . A 62 LEU HD13 . 34746 1 729 . 1 . 1 62 62 LEU HD21 H 1 0.985 0.020 . 2 . . . . A 62 LEU HD21 . 34746 1 730 . 1 . 1 62 62 LEU HD22 H 1 0.985 0.020 . 2 . . . . A 62 LEU HD22 . 34746 1 731 . 1 . 1 62 62 LEU HD23 H 1 0.985 0.020 . 2 . . . . A 62 LEU HD23 . 34746 1 732 . 1 . 1 62 62 LEU C C 13 175.118 0.250 . 1 . . . . A 62 LEU C . 34746 1 733 . 1 . 1 62 62 LEU CA C 13 55.357 0.250 . 1 . . . . A 62 LEU CA . 34746 1 734 . 1 . 1 62 62 LEU CB C 13 43.257 0.250 . 1 . . . . A 62 LEU CB . 34746 1 735 . 1 . 1 62 62 LEU CG C 13 26.825 0.250 . 1 . . . . A 62 LEU CG . 34746 1 736 . 1 . 1 62 62 LEU CD1 C 13 23.476 0.250 . 2 . . . . A 62 LEU CD1 . 34746 1 737 . 1 . 1 62 62 LEU CD2 C 13 27.645 0.250 . 2 . . . . A 62 LEU CD2 . 34746 1 738 . 1 . 1 62 62 LEU N N 15 121.542 0.250 . 1 . . . . A 62 LEU N . 34746 1 739 . 1 . 1 63 63 ASN H H 1 9.069 0.020 . 1 . . . . A 63 ASN H . 34746 1 740 . 1 . 1 63 63 ASN HA H 1 5.480 0.020 . 1 . . . . A 63 ASN HA . 34746 1 741 . 1 . 1 63 63 ASN HB2 H 1 3.223 0.020 . 2 . . . . A 63 ASN HB2 . 34746 1 742 . 1 . 1 63 63 ASN HB3 H 1 3.057 0.020 . 2 . . . . A 63 ASN HB3 . 34746 1 743 . 1 . 1 63 63 ASN HD21 H 1 7.113 0.020 . 2 . . . . A 63 ASN HD21 . 34746 1 744 . 1 . 1 63 63 ASN HD22 H 1 7.808 0.020 . 2 . . . . A 63 ASN HD22 . 34746 1 745 . 1 . 1 63 63 ASN C C 13 173.735 0.250 . 1 . . . . A 63 ASN C . 34746 1 746 . 1 . 1 63 63 ASN CA C 13 54.020 0.250 . 1 . . . . A 63 ASN CA . 34746 1 747 . 1 . 1 63 63 ASN CB C 13 36.704 0.250 . 1 . . . . A 63 ASN CB . 34746 1 748 . 1 . 1 63 63 ASN N N 15 126.526 0.250 . 1 . . . . A 63 ASN N . 34746 1 749 . 1 . 1 63 63 ASN ND2 N 15 111.738 0.250 . 1 . . . . A 63 ASN ND2 . 34746 1 750 . 1 . 1 64 64 THR H H 1 9.137 0.020 . 1 . . . . A 64 THR H . 34746 1 751 . 1 . 1 64 64 THR HA H 1 5.021 0.020 . 1 . . . . A 64 THR HA . 34746 1 752 . 1 . 1 64 64 THR HB H 1 4.222 0.020 . 1 . . . . A 64 THR HB . 34746 1 753 . 1 . 1 64 64 THR HG21 H 1 1.324 0.020 . 1 . . . . A 64 THR HG21 . 34746 1 754 . 1 . 1 64 64 THR HG22 H 1 1.324 0.020 . 1 . . . . A 64 THR HG22 . 34746 1 755 . 1 . 1 64 64 THR HG23 H 1 1.324 0.020 . 1 . . . . A 64 THR HG23 . 34746 1 756 . 1 . 1 64 64 THR C C 13 171.194 0.250 . 1 . . . . A 64 THR C . 34746 1 757 . 1 . 1 64 64 THR CA C 13 61.221 0.250 . 1 . . . . A 64 THR CA . 34746 1 758 . 1 . 1 64 64 THR CB C 13 70.169 0.250 . 1 . . . . A 64 THR CB . 34746 1 759 . 1 . 1 64 64 THR CG2 C 13 20.464 0.250 . 1 . . . . A 64 THR CG2 . 34746 1 760 . 1 . 1 64 64 THR N N 15 119.408 0.250 . 1 . . . . A 64 THR N . 34746 1 761 . 1 . 1 65 65 MET H H 1 8.475 0.020 . 1 . . . . A 65 MET H . 34746 1 762 . 1 . 1 65 65 MET HA H 1 5.897 0.020 . 1 . . . . A 65 MET HA . 34746 1 763 . 1 . 1 65 65 MET HB2 H 1 1.909 0.020 . 2 . . . . A 65 MET HB2 . 34746 1 764 . 1 . 1 65 65 MET HB3 H 1 1.837 0.020 . 2 . . . . A 65 MET HB3 . 34746 1 765 . 1 . 1 65 65 MET HG2 H 1 2.234 0.020 . 2 . . . . A 65 MET HG2 . 34746 1 766 . 1 . 1 65 65 MET HG3 H 1 2.282 0.020 . 2 . . . . A 65 MET HG3 . 34746 1 767 . 1 . 1 65 65 MET HE1 H 1 1.714 0.020 . 1 . . . . A 65 MET HE1 . 34746 1 768 . 1 . 1 65 65 MET HE2 H 1 1.714 0.020 . 1 . . . . A 65 MET HE2 . 34746 1 769 . 1 . 1 65 65 MET HE3 H 1 1.714 0.020 . 1 . . . . A 65 MET HE3 . 34746 1 770 . 1 . 1 65 65 MET C C 13 175.092 0.250 . 1 . . . . A 65 MET C . 34746 1 771 . 1 . 1 65 65 MET CA C 13 54.326 0.250 . 1 . . . . A 65 MET CA . 34746 1 772 . 1 . 1 65 65 MET CB C 13 36.361 0.250 . 1 . . . . A 65 MET CB . 34746 1 773 . 1 . 1 65 65 MET CG C 13 31.548 0.250 . 1 . . . . A 65 MET CG . 34746 1 774 . 1 . 1 65 65 MET CE C 13 16.554 0.250 . 1 . . . . A 65 MET CE . 34746 1 775 . 1 . 1 65 65 MET N N 15 126.546 0.250 . 1 . . . . A 65 MET N . 34746 1 776 . 1 . 1 66 66 PHE H H 1 8.686 0.020 . 1 . . . . A 66 PHE H . 34746 1 777 . 1 . 1 66 66 PHE HA H 1 5.012 0.020 . 1 . . . . A 66 PHE HA . 34746 1 778 . 1 . 1 66 66 PHE HB2 H 1 3.562 0.020 . 2 . . . . A 66 PHE HB2 . 34746 1 779 . 1 . 1 66 66 PHE HB3 H 1 3.380 0.020 . 2 . . . . A 66 PHE HB3 . 34746 1 780 . 1 . 1 66 66 PHE HD1 H 1 7.187 0.020 . 1 . . . . A 66 PHE HD1 . 34746 1 781 . 1 . 1 66 66 PHE HD2 H 1 7.187 0.020 . 1 . . . . A 66 PHE HD2 . 34746 1 782 . 1 . 1 66 66 PHE HE1 H 1 6.604 0.020 . 1 . . . . A 66 PHE HE1 . 34746 1 783 . 1 . 1 66 66 PHE HE2 H 1 6.604 0.020 . 1 . . . . A 66 PHE HE2 . 34746 1 784 . 1 . 1 66 66 PHE HZ H 1 5.314 0.020 . 1 . . . . A 66 PHE HZ . 34746 1 785 . 1 . 1 66 66 PHE C C 13 173.143 0.250 . 1 . . . . A 66 PHE C . 34746 1 786 . 1 . 1 66 66 PHE CA C 13 56.517 0.250 . 1 . . . . A 66 PHE CA . 34746 1 787 . 1 . 1 66 66 PHE CB C 13 39.318 0.250 . 1 . . . . A 66 PHE CB . 34746 1 788 . 1 . 1 66 66 PHE CD1 C 13 132.646 0.250 . 3 . . . . A 66 PHE CD1 . 34746 1 789 . 1 . 1 66 66 PHE CE1 C 13 130.114 0.250 . 3 . . . . A 66 PHE CE1 . 34746 1 790 . 1 . 1 66 66 PHE CZ C 13 128.593 0.250 . 1 . . . . A 66 PHE CZ . 34746 1 791 . 1 . 1 66 66 PHE N N 15 119.028 0.250 . 1 . . . . A 66 PHE N . 34746 1 792 . 1 . 1 67 67 GLU H H 1 8.931 0.020 . 1 . . . . A 67 GLU H . 34746 1 793 . 1 . 1 67 67 GLU HA H 1 5.316 0.020 . 1 . . . . A 67 GLU HA . 34746 1 794 . 1 . 1 67 67 GLU HB2 H 1 2.136 0.020 . 2 . . . . A 67 GLU HB2 . 34746 1 795 . 1 . 1 67 67 GLU HB3 H 1 2.136 0.020 . 2 . . . . A 67 GLU HB3 . 34746 1 796 . 1 . 1 67 67 GLU HG2 H 1 2.260 0.020 . 2 . . . . A 67 GLU HG2 . 34746 1 797 . 1 . 1 67 67 GLU HG3 H 1 2.478 0.020 . 2 . . . . A 67 GLU HG3 . 34746 1 798 . 1 . 1 67 67 GLU C C 13 175.710 0.250 . 1 . . . . A 67 GLU C . 34746 1 799 . 1 . 1 67 67 GLU CA C 13 55.780 0.250 . 1 . . . . A 67 GLU CA . 34746 1 800 . 1 . 1 67 67 GLU CB C 13 32.035 0.250 . 1 . . . . A 67 GLU CB . 34746 1 801 . 1 . 1 67 67 GLU CG C 13 37.695 0.250 . 1 . . . . A 67 GLU CG . 34746 1 802 . 1 . 1 67 67 GLU N N 15 119.454 0.250 . 1 . . . . A 67 GLU N . 34746 1 803 . 1 . 1 68 68 TRP H H 1 9.379 0.020 . 1 . . . . A 68 TRP H . 34746 1 804 . 1 . 1 68 68 TRP HA H 1 5.044 0.020 . 1 . . . . A 68 TRP HA . 34746 1 805 . 1 . 1 68 68 TRP HB2 H 1 3.398 0.020 . 1 . . . . A 68 TRP HB2 . 34746 1 806 . 1 . 1 68 68 TRP HB3 H 1 2.926 0.020 . 1 . . . . A 68 TRP HB3 . 34746 1 807 . 1 . 1 68 68 TRP HD1 H 1 7.088 0.020 . 1 . . . . A 68 TRP HD1 . 34746 1 808 . 1 . 1 68 68 TRP HE1 H 1 12.172 0.020 . 1 . . . . A 68 TRP HE1 . 34746 1 809 . 1 . 1 68 68 TRP HE3 H 1 8.336 0.020 . 1 . . . . A 68 TRP HE3 . 34746 1 810 . 1 . 1 68 68 TRP HZ2 H 1 7.796 0.020 . 1 . . . . A 68 TRP HZ2 . 34746 1 811 . 1 . 1 68 68 TRP HZ3 H 1 7.241 0.020 . 1 . . . . A 68 TRP HZ3 . 34746 1 812 . 1 . 1 68 68 TRP HH2 H 1 7.482 0.020 . 1 . . . . A 68 TRP HH2 . 34746 1 813 . 1 . 1 68 68 TRP C C 13 172.366 0.250 . 1 . . . . A 68 TRP C . 34746 1 814 . 1 . 1 68 68 TRP CA C 13 56.293 0.250 . 1 . . . . A 68 TRP CA . 34746 1 815 . 1 . 1 68 68 TRP CB C 13 36.120 0.250 . 1 . . . . A 68 TRP CB . 34746 1 816 . 1 . 1 68 68 TRP CD1 C 13 127.520 0.250 . 1 . . . . A 68 TRP CD1 . 34746 1 817 . 1 . 1 68 68 TRP CE3 C 13 121.981 0.250 . 1 . . . . A 68 TRP CE3 . 34746 1 818 . 1 . 1 68 68 TRP CZ2 C 13 115.776 0.250 . 1 . . . . A 68 TRP CZ2 . 34746 1 819 . 1 . 1 68 68 TRP CZ3 C 13 121.831 0.250 . 1 . . . . A 68 TRP CZ3 . 34746 1 820 . 1 . 1 68 68 TRP CH2 C 13 124.847 0.250 . 1 . . . . A 68 TRP CH2 . 34746 1 821 . 1 . 1 68 68 TRP N N 15 123.693 0.250 . 1 . . . . A 68 TRP N . 34746 1 822 . 1 . 1 68 68 TRP NE1 N 15 132.969 0.250 . 1 . . . . A 68 TRP NE1 . 34746 1 823 . 1 . 1 69 69 MET H H 1 6.713 0.020 . 1 . . . . A 69 MET H . 34746 1 824 . 1 . 1 69 69 MET HA H 1 5.119 0.020 . 1 . . . . A 69 MET HA . 34746 1 825 . 1 . 1 69 69 MET HB2 H 1 1.673 0.020 . 2 . . . . A 69 MET HB2 . 34746 1 826 . 1 . 1 69 69 MET HB3 H 1 1.612 0.020 . 2 . . . . A 69 MET HB3 . 34746 1 827 . 1 . 1 69 69 MET HG2 H 1 2.219 0.020 . 2 . . . . A 69 MET HG2 . 34746 1 828 . 1 . 1 69 69 MET HG3 H 1 2.296 0.020 . 2 . . . . A 69 MET HG3 . 34746 1 829 . 1 . 1 69 69 MET HE1 H 1 1.928 0.020 . 1 . . . . A 69 MET HE1 . 34746 1 830 . 1 . 1 69 69 MET HE2 H 1 1.928 0.020 . 1 . . . . A 69 MET HE2 . 34746 1 831 . 1 . 1 69 69 MET HE3 H 1 1.928 0.020 . 1 . . . . A 69 MET HE3 . 34746 1 832 . 1 . 1 69 69 MET C C 13 174.159 0.250 . 1 . . . . A 69 MET C . 34746 1 833 . 1 . 1 69 69 MET CA C 13 52.739 0.250 . 1 . . . . A 69 MET CA . 34746 1 834 . 1 . 1 69 69 MET CB C 13 33.298 0.250 . 1 . . . . A 69 MET CB . 34746 1 835 . 1 . 1 69 69 MET CG C 13 31.612 0.250 . 1 . . . . A 69 MET CG . 34746 1 836 . 1 . 1 69 69 MET CE C 13 16.710 0.250 . 1 . . . . A 69 MET CE . 34746 1 837 . 1 . 1 69 69 MET N N 15 124.318 0.250 . 1 . . . . A 69 MET N . 34746 1 838 . 1 . 1 70 70 ILE H H 1 8.995 0.020 . 1 . . . . A 70 ILE H . 34746 1 839 . 1 . 1 70 70 ILE HA H 1 4.379 0.020 . 1 . . . . A 70 ILE HA . 34746 1 840 . 1 . 1 70 70 ILE HB H 1 1.535 0.020 . 1 . . . . A 70 ILE HB . 34746 1 841 . 1 . 1 70 70 ILE HG12 H 1 1.820 0.020 . 1 . . . . A 70 ILE HG12 . 34746 1 842 . 1 . 1 70 70 ILE HG13 H 1 0.930 0.020 . 1 . . . . A 70 ILE HG13 . 34746 1 843 . 1 . 1 70 70 ILE HG21 H 1 0.417 0.020 . 1 . . . . A 70 ILE HG21 . 34746 1 844 . 1 . 1 70 70 ILE HG22 H 1 0.417 0.020 . 1 . . . . A 70 ILE HG22 . 34746 1 845 . 1 . 1 70 70 ILE HG23 H 1 0.417 0.020 . 1 . . . . A 70 ILE HG23 . 34746 1 846 . 1 . 1 70 70 ILE HD11 H 1 0.503 0.020 . 1 . . . . A 70 ILE HD11 . 34746 1 847 . 1 . 1 70 70 ILE HD12 H 1 0.503 0.020 . 1 . . . . A 70 ILE HD12 . 34746 1 848 . 1 . 1 70 70 ILE HD13 H 1 0.503 0.020 . 1 . . . . A 70 ILE HD13 . 34746 1 849 . 1 . 1 70 70 ILE C C 13 174.591 0.250 . 1 . . . . A 70 ILE C . 34746 1 850 . 1 . 1 70 70 ILE CA C 13 58.691 0.250 . 1 . . . . A 70 ILE CA . 34746 1 851 . 1 . 1 70 70 ILE CB C 13 41.242 0.250 . 1 . . . . A 70 ILE CB . 34746 1 852 . 1 . 1 70 70 ILE CG1 C 13 27.210 0.250 . 1 . . . . A 70 ILE CG1 . 34746 1 853 . 1 . 1 70 70 ILE CG2 C 13 15.704 0.250 . 1 . . . . A 70 ILE CG2 . 34746 1 854 . 1 . 1 70 70 ILE CD1 C 13 16.240 0.250 . 1 . . . . A 70 ILE CD1 . 34746 1 855 . 1 . 1 70 70 ILE N N 15 125.087 0.250 . 1 . . . . A 70 ILE N . 34746 1 856 . 1 . 1 71 71 PRO HA H 1 4.473 0.020 . 1 . . . . A 71 PRO HA . 34746 1 857 . 1 . 1 71 71 PRO HB2 H 1 2.065 0.020 . 2 . . . . A 71 PRO HB2 . 34746 1 858 . 1 . 1 71 71 PRO HB3 H 1 1.942 0.020 . 2 . . . . A 71 PRO HB3 . 34746 1 859 . 1 . 1 71 71 PRO HG2 H 1 2.157 0.020 . 2 . . . . A 71 PRO HG2 . 34746 1 860 . 1 . 1 71 71 PRO HG3 H 1 1.956 0.020 . 2 . . . . A 71 PRO HG3 . 34746 1 861 . 1 . 1 71 71 PRO HD2 H 1 3.786 0.020 . 2 . . . . A 71 PRO HD2 . 34746 1 862 . 1 . 1 71 71 PRO HD3 H 1 3.360 0.020 . 2 . . . . A 71 PRO HD3 . 34746 1 863 . 1 . 1 71 71 PRO C C 13 176.158 0.250 . 1 . . . . A 71 PRO C . 34746 1 864 . 1 . 1 71 71 PRO CA C 13 62.650 0.250 . 1 . . . . A 71 PRO CA . 34746 1 865 . 1 . 1 71 71 PRO CB C 13 31.179 0.250 . 1 . . . . A 71 PRO CB . 34746 1 866 . 1 . 1 71 71 PRO CG C 13 27.628 0.250 . 1 . . . . A 71 PRO CG . 34746 1 867 . 1 . 1 71 71 PRO CD C 13 50.563 0.250 . 1 . . . . A 71 PRO CD . 34746 1 868 . 1 . 1 72 72 THR H H 1 7.483 0.020 . 1 . . . . A 72 THR H . 34746 1 869 . 1 . 1 72 72 THR HA H 1 4.912 0.020 . 1 . . . . A 72 THR HA . 34746 1 870 . 1 . 1 72 72 THR HB H 1 4.411 0.020 . 1 . . . . A 72 THR HB . 34746 1 871 . 1 . 1 72 72 THR HG1 H 1 5.994 0.020 . 1 . . . . A 72 THR HG1 . 34746 1 872 . 1 . 1 72 72 THR HG21 H 1 1.204 0.020 . 1 . . . . A 72 THR HG21 . 34746 1 873 . 1 . 1 72 72 THR HG22 H 1 1.204 0.020 . 1 . . . . A 72 THR HG22 . 34746 1 874 . 1 . 1 72 72 THR HG23 H 1 1.204 0.020 . 1 . . . . A 72 THR HG23 . 34746 1 875 . 1 . 1 72 72 THR C C 13 176.224 0.250 . 1 . . . . A 72 THR C . 34746 1 876 . 1 . 1 72 72 THR CA C 13 60.588 0.250 . 1 . . . . A 72 THR CA . 34746 1 877 . 1 . 1 72 72 THR CB C 13 73.564 0.250 . 1 . . . . A 72 THR CB . 34746 1 878 . 1 . 1 72 72 THR CG2 C 13 21.485 0.250 . 1 . . . . A 72 THR CG2 . 34746 1 879 . 1 . 1 72 72 THR N N 15 113.881 0.250 . 1 . . . . A 72 THR N . 34746 1 880 . 1 . 1 73 73 SER HA H 1 4.319 0.020 . 1 . . . . A 73 SER HA . 34746 1 881 . 1 . 1 73 73 SER HB2 H 1 4.082 0.020 . 2 . . . . A 73 SER HB2 . 34746 1 882 . 1 . 1 73 73 SER HB3 H 1 4.001 0.020 . 2 . . . . A 73 SER HB3 . 34746 1 883 . 1 . 1 73 73 SER C C 13 175.068 0.250 . 1 . . . . A 73 SER C . 34746 1 884 . 1 . 1 73 73 SER CA C 13 60.758 0.250 . 1 . . . . A 73 SER CA . 34746 1 885 . 1 . 1 73 73 SER CB C 13 62.720 0.250 . 1 . . . . A 73 SER CB . 34746 1 886 . 1 . 1 74 74 ARG H H 1 8.112 0.020 . 1 . . . . A 74 ARG H . 34746 1 887 . 1 . 1 74 74 ARG HA H 1 4.563 0.020 . 1 . . . . A 74 ARG HA . 34746 1 888 . 1 . 1 74 74 ARG HB2 H 1 2.033 0.020 . 2 . . . . A 74 ARG HB2 . 34746 1 889 . 1 . 1 74 74 ARG HB3 H 1 1.611 0.020 . 2 . . . . A 74 ARG HB3 . 34746 1 890 . 1 . 1 74 74 ARG HG2 H 1 1.615 0.020 . 2 . . . . A 74 ARG HG2 . 34746 1 891 . 1 . 1 74 74 ARG HG3 H 1 1.615 0.020 . 2 . . . . A 74 ARG HG3 . 34746 1 892 . 1 . 1 74 74 ARG HD2 H 1 3.192 0.020 . 2 . . . . A 74 ARG HD2 . 34746 1 893 . 1 . 1 74 74 ARG HD3 H 1 3.192 0.020 . 2 . . . . A 74 ARG HD3 . 34746 1 894 . 1 . 1 74 74 ARG C C 13 175.489 0.250 . 1 . . . . A 74 ARG C . 34746 1 895 . 1 . 1 74 74 ARG CA C 13 55.448 0.250 . 1 . . . . A 74 ARG CA . 34746 1 896 . 1 . 1 74 74 ARG CB C 13 30.291 0.250 . 1 . . . . A 74 ARG CB . 34746 1 897 . 1 . 1 74 74 ARG CG C 13 27.307 0.250 . 1 . . . . A 74 ARG CG . 34746 1 898 . 1 . 1 74 74 ARG CD C 13 43.267 0.250 . 1 . . . . A 74 ARG CD . 34746 1 899 . 1 . 1 74 74 ARG N N 15 119.873 0.250 . 1 . . . . A 74 ARG N . 34746 1 900 . 1 . 1 75 75 GLY H H 1 7.488 0.020 . 1 . . . . A 75 GLY H . 34746 1 901 . 1 . 1 75 75 GLY HA2 H 1 4.584 0.020 . 2 . . . . A 75 GLY HA2 . 34746 1 902 . 1 . 1 75 75 GLY HA3 H 1 3.895 0.020 . 2 . . . . A 75 GLY HA3 . 34746 1 903 . 1 . 1 75 75 GLY C C 13 172.250 0.250 . 1 . . . . A 75 GLY C . 34746 1 904 . 1 . 1 75 75 GLY CA C 13 43.718 0.250 . 1 . . . . A 75 GLY CA . 34746 1 905 . 1 . 1 75 75 GLY N N 15 109.048 0.250 . 1 . . . . A 75 GLY N . 34746 1 906 . 1 . 1 76 76 PRO HA H 1 4.758 0.020 . 1 . . . . A 76 PRO HA . 34746 1 907 . 1 . 1 76 76 PRO HB2 H 1 2.130 0.020 . 2 . . . . A 76 PRO HB2 . 34746 1 908 . 1 . 1 76 76 PRO HB3 H 1 1.891 0.020 . 2 . . . . A 76 PRO HB3 . 34746 1 909 . 1 . 1 76 76 PRO HG2 H 1 2.123 0.020 . 2 . . . . A 76 PRO HG2 . 34746 1 910 . 1 . 1 76 76 PRO HG3 H 1 1.987 0.020 . 2 . . . . A 76 PRO HG3 . 34746 1 911 . 1 . 1 76 76 PRO HD2 H 1 3.615 0.020 . 2 . . . . A 76 PRO HD2 . 34746 1 912 . 1 . 1 76 76 PRO HD3 H 1 3.615 0.020 . 2 . . . . A 76 PRO HD3 . 34746 1 913 . 1 . 1 76 76 PRO C C 13 177.554 0.250 . 1 . . . . A 76 PRO C . 34746 1 914 . 1 . 1 76 76 PRO CA C 13 63.167 0.250 . 1 . . . . A 76 PRO CA . 34746 1 915 . 1 . 1 76 76 PRO CB C 13 31.454 0.250 . 1 . . . . A 76 PRO CB . 34746 1 916 . 1 . 1 76 76 PRO CG C 13 27.434 0.250 . 1 . . . . A 76 PRO CG . 34746 1 917 . 1 . 1 76 76 PRO CD C 13 49.661 0.250 . 1 . . . . A 76 PRO CD . 34746 1 918 . 1 . 1 77 77 THR H H 1 9.189 0.020 . 1 . . . . A 77 THR H . 34746 1 919 . 1 . 1 77 77 THR HA H 1 4.534 0.020 . 1 . . . . A 77 THR HA . 34746 1 920 . 1 . 1 77 77 THR HB H 1 3.897 0.020 . 1 . . . . A 77 THR HB . 34746 1 921 . 1 . 1 77 77 THR HG21 H 1 1.101 0.020 . 1 . . . . A 77 THR HG21 . 34746 1 922 . 1 . 1 77 77 THR HG22 H 1 1.101 0.020 . 1 . . . . A 77 THR HG22 . 34746 1 923 . 1 . 1 77 77 THR HG23 H 1 1.101 0.020 . 1 . . . . A 77 THR HG23 . 34746 1 924 . 1 . 1 77 77 THR C C 13 172.406 0.250 . 1 . . . . A 77 THR C . 34746 1 925 . 1 . 1 77 77 THR CA C 13 61.909 0.250 . 1 . . . . A 77 THR CA . 34746 1 926 . 1 . 1 77 77 THR CB C 13 71.423 0.250 . 1 . . . . A 77 THR CB . 34746 1 927 . 1 . 1 77 77 THR CG2 C 13 19.834 0.250 . 1 . . . . A 77 THR CG2 . 34746 1 928 . 1 . 1 77 77 THR N N 15 122.403 0.250 . 1 . . . . A 77 THR N . 34746 1 929 . 1 . 1 78 78 LYS H H 1 8.822 0.020 . 1 . . . . A 78 LYS H . 34746 1 930 . 1 . 1 78 78 LYS HA H 1 4.943 0.020 . 1 . . . . A 78 LYS HA . 34746 1 931 . 1 . 1 78 78 LYS HB2 H 1 1.879 0.020 . 1 . . . . A 78 LYS HB2 . 34746 1 932 . 1 . 1 78 78 LYS HB3 H 1 1.687 0.020 . 1 . . . . A 78 LYS HB3 . 34746 1 933 . 1 . 1 78 78 LYS HG2 H 1 1.485 0.020 . 2 . . . . A 78 LYS HG2 . 34746 1 934 . 1 . 1 78 78 LYS HG3 H 1 1.387 0.020 . 2 . . . . A 78 LYS HG3 . 34746 1 935 . 1 . 1 78 78 LYS HD2 H 1 1.658 0.020 . 2 . . . . A 78 LYS HD2 . 34746 1 936 . 1 . 1 78 78 LYS HD3 H 1 1.658 0.020 . 2 . . . . A 78 LYS HD3 . 34746 1 937 . 1 . 1 78 78 LYS HE2 H 1 2.938 0.020 . 2 . . . . A 78 LYS HE2 . 34746 1 938 . 1 . 1 78 78 LYS HE3 H 1 2.938 0.020 . 2 . . . . A 78 LYS HE3 . 34746 1 939 . 1 . 1 78 78 LYS C C 13 176.474 0.250 . 1 . . . . A 78 LYS C . 34746 1 940 . 1 . 1 78 78 LYS CA C 13 57.189 0.250 . 1 . . . . A 78 LYS CA . 34746 1 941 . 1 . 1 78 78 LYS CB C 13 32.875 0.250 . 1 . . . . A 78 LYS CB . 34746 1 942 . 1 . 1 78 78 LYS CG C 13 25.344 0.250 . 1 . . . . A 78 LYS CG . 34746 1 943 . 1 . 1 78 78 LYS CD C 13 29.079 0.250 . 1 . . . . A 78 LYS CD . 34746 1 944 . 1 . 1 78 78 LYS CE C 13 41.942 0.250 . 1 . . . . A 78 LYS CE . 34746 1 945 . 1 . 1 78 78 LYS N N 15 130.893 0.250 . 1 . . . . A 78 LYS N . 34746 1 946 . 1 . 1 79 79 VAL H H 1 9.366 0.020 . 1 . . . . A 79 VAL H . 34746 1 947 . 1 . 1 79 79 VAL HA H 1 5.348 0.020 . 1 . . . . A 79 VAL HA . 34746 1 948 . 1 . 1 79 79 VAL HB H 1 2.203 0.020 . 1 . . . . A 79 VAL HB . 34746 1 949 . 1 . 1 79 79 VAL HG11 H 1 0.935 0.020 . 2 . . . . A 79 VAL HG11 . 34746 1 950 . 1 . 1 79 79 VAL HG12 H 1 0.935 0.020 . 2 . . . . A 79 VAL HG12 . 34746 1 951 . 1 . 1 79 79 VAL HG13 H 1 0.935 0.020 . 2 . . . . A 79 VAL HG13 . 34746 1 952 . 1 . 1 79 79 VAL HG21 H 1 0.736 0.020 . 2 . . . . A 79 VAL HG21 . 34746 1 953 . 1 . 1 79 79 VAL HG22 H 1 0.736 0.020 . 2 . . . . A 79 VAL HG22 . 34746 1 954 . 1 . 1 79 79 VAL HG23 H 1 0.736 0.020 . 2 . . . . A 79 VAL HG23 . 34746 1 955 . 1 . 1 79 79 VAL C C 13 174.157 0.250 . 1 . . . . A 79 VAL C . 34746 1 956 . 1 . 1 79 79 VAL CA C 13 58.997 0.250 . 1 . . . . A 79 VAL CA . 34746 1 957 . 1 . 1 79 79 VAL CB C 13 36.250 0.250 . 1 . . . . A 79 VAL CB . 34746 1 958 . 1 . 1 79 79 VAL CG1 C 13 18.613 0.250 . 2 . . . . A 79 VAL CG1 . 34746 1 959 . 1 . 1 79 79 VAL CG2 C 13 20.763 0.250 . 2 . . . . A 79 VAL CG2 . 34746 1 960 . 1 . 1 79 79 VAL N N 15 119.967 0.250 . 1 . . . . A 79 VAL N . 34746 1 961 . 1 . 1 80 80 LYS H H 1 9.216 0.020 . 1 . . . . A 80 LYS H . 34746 1 962 . 1 . 1 80 80 LYS HA H 1 4.758 0.020 . 1 . . . . A 80 LYS HA . 34746 1 963 . 1 . 1 80 80 LYS HB2 H 1 1.629 0.020 . 2 . . . . A 80 LYS HB2 . 34746 1 964 . 1 . 1 80 80 LYS HB3 H 1 1.805 0.020 . 2 . . . . A 80 LYS HB3 . 34746 1 965 . 1 . 1 80 80 LYS HG2 H 1 1.338 0.020 . 2 . . . . A 80 LYS HG2 . 34746 1 966 . 1 . 1 80 80 LYS HG3 H 1 1.338 0.020 . 2 . . . . A 80 LYS HG3 . 34746 1 967 . 1 . 1 80 80 LYS HD2 H 1 1.656 0.020 . 2 . . . . A 80 LYS HD2 . 34746 1 968 . 1 . 1 80 80 LYS HD3 H 1 1.656 0.020 . 2 . . . . A 80 LYS HD3 . 34746 1 969 . 1 . 1 80 80 LYS HE2 H 1 2.949 0.020 . 2 . . . . A 80 LYS HE2 . 34746 1 970 . 1 . 1 80 80 LYS HE3 H 1 2.911 0.020 . 2 . . . . A 80 LYS HE3 . 34746 1 971 . 1 . 1 80 80 LYS C C 13 175.171 0.250 . 1 . . . . A 80 LYS C . 34746 1 972 . 1 . 1 80 80 LYS CA C 13 55.268 0.250 . 1 . . . . A 80 LYS CA . 34746 1 973 . 1 . 1 80 80 LYS CB C 13 34.296 0.250 . 1 . . . . A 80 LYS CB . 34746 1 974 . 1 . 1 80 80 LYS CG C 13 25.115 0.250 . 1 . . . . A 80 LYS CG . 34746 1 975 . 1 . 1 80 80 LYS CD C 13 29.276 0.250 . 1 . . . . A 80 LYS CD . 34746 1 976 . 1 . 1 80 80 LYS CE C 13 41.921 0.250 . 1 . . . . A 80 LYS CE . 34746 1 977 . 1 . 1 80 80 LYS N N 15 120.215 0.250 . 1 . . . . A 80 LYS N . 34746 1 978 . 1 . 1 81 81 VAL H H 1 9.126 0.020 . 1 . . . . A 81 VAL H . 34746 1 979 . 1 . 1 81 81 VAL HA H 1 4.673 0.020 . 1 . . . . A 81 VAL HA . 34746 1 980 . 1 . 1 81 81 VAL HB H 1 0.544 0.020 . 1 . . . . A 81 VAL HB . 34746 1 981 . 1 . 1 81 81 VAL HG11 H 1 0.598 0.020 . 2 . . . . A 81 VAL HG11 . 34746 1 982 . 1 . 1 81 81 VAL HG12 H 1 0.598 0.020 . 2 . . . . A 81 VAL HG12 . 34746 1 983 . 1 . 1 81 81 VAL HG13 H 1 0.598 0.020 . 2 . . . . A 81 VAL HG13 . 34746 1 984 . 1 . 1 81 81 VAL HG21 H 1 0.324 0.020 . 2 . . . . A 81 VAL HG21 . 34746 1 985 . 1 . 1 81 81 VAL HG22 H 1 0.324 0.020 . 2 . . . . A 81 VAL HG22 . 34746 1 986 . 1 . 1 81 81 VAL HG23 H 1 0.324 0.020 . 2 . . . . A 81 VAL HG23 . 34746 1 987 . 1 . 1 81 81 VAL C C 13 173.933 0.250 . 1 . . . . A 81 VAL C . 34746 1 988 . 1 . 1 81 81 VAL CA C 13 60.700 0.250 . 1 . . . . A 81 VAL CA . 34746 1 989 . 1 . 1 81 81 VAL CB C 13 32.985 0.250 . 1 . . . . A 81 VAL CB . 34746 1 990 . 1 . 1 81 81 VAL CG1 C 13 22.664 0.250 . 2 . . . . A 81 VAL CG1 . 34746 1 991 . 1 . 1 81 81 VAL CG2 C 13 22.535 0.250 . 2 . . . . A 81 VAL CG2 . 34746 1 992 . 1 . 1 81 81 VAL N N 15 126.323 0.250 . 1 . . . . A 81 VAL N . 34746 1 993 . 1 . 1 82 82 HIS H H 1 9.244 0.020 . 1 . . . . A 82 HIS H . 34746 1 994 . 1 . 1 82 82 HIS HA H 1 5.573 0.020 . 1 . . . . A 82 HIS HA . 34746 1 995 . 1 . 1 82 82 HIS HB2 H 1 3.406 0.020 . 2 . . . . A 82 HIS HB2 . 34746 1 996 . 1 . 1 82 82 HIS HB3 H 1 2.905 0.020 . 2 . . . . A 82 HIS HB3 . 34746 1 997 . 1 . 1 82 82 HIS HD2 H 1 7.043 0.020 . 1 . . . . A 82 HIS HD2 . 34746 1 998 . 1 . 1 82 82 HIS HE1 H 1 7.754 0.020 . 1 . . . . A 82 HIS HE1 . 34746 1 999 . 1 . 1 82 82 HIS C C 13 174.581 0.250 . 1 . . . . A 82 HIS C . 34746 1 1000 . 1 . 1 82 82 HIS CA C 13 52.718 0.250 . 1 . . . . A 82 HIS CA . 34746 1 1001 . 1 . 1 82 82 HIS CB C 13 34.823 0.250 . 1 . . . . A 82 HIS CB . 34746 1 1002 . 1 . 1 82 82 HIS CD2 C 13 117.103 0.250 . 1 . . . . A 82 HIS CD2 . 34746 1 1003 . 1 . 1 82 82 HIS CE1 C 13 138.107 0.250 . 1 . . . . A 82 HIS CE1 . 34746 1 1004 . 1 . 1 82 82 HIS N N 15 126.860 0.250 . 1 . . . . A 82 HIS N . 34746 1 1005 . 1 . 1 83 83 MET H H 1 9.288 0.020 . 1 . . . . A 83 MET H . 34746 1 1006 . 1 . 1 83 83 MET HA H 1 5.861 0.020 . 1 . . . . A 83 MET HA . 34746 1 1007 . 1 . 1 83 83 MET HB2 H 1 2.145 0.020 . 1 . . . . A 83 MET HB2 . 34746 1 1008 . 1 . 1 83 83 MET HB3 H 1 2.085 0.020 . 1 . . . . A 83 MET HB3 . 34746 1 1009 . 1 . 1 83 83 MET HG2 H 1 2.556 0.020 . 2 . . . . A 83 MET HG2 . 34746 1 1010 . 1 . 1 83 83 MET HG3 H 1 2.556 0.020 . 2 . . . . A 83 MET HG3 . 34746 1 1011 . 1 . 1 83 83 MET HE1 H 1 2.217 0.020 . 1 . . . . A 83 MET HE1 . 34746 1 1012 . 1 . 1 83 83 MET HE2 H 1 2.217 0.020 . 1 . . . . A 83 MET HE2 . 34746 1 1013 . 1 . 1 83 83 MET HE3 H 1 2.217 0.020 . 1 . . . . A 83 MET HE3 . 34746 1 1014 . 1 . 1 83 83 MET C C 13 174.434 0.250 . 1 . . . . A 83 MET C . 34746 1 1015 . 1 . 1 83 83 MET CA C 13 54.063 0.250 . 1 . . . . A 83 MET CA . 34746 1 1016 . 1 . 1 83 83 MET CB C 13 36.899 0.250 . 1 . . . . A 83 MET CB . 34746 1 1017 . 1 . 1 83 83 MET CG C 13 32.317 0.250 . 1 . . . . A 83 MET CG . 34746 1 1018 . 1 . 1 83 83 MET CE C 13 17.028 0.250 . 1 . . . . A 83 MET CE . 34746 1 1019 . 1 . 1 83 83 MET N N 15 124.217 0.250 . 1 . . . . A 83 MET N . 34746 1 1020 . 1 . 1 84 84 LYS H H 1 9.335 0.020 . 1 . . . . A 84 LYS H . 34746 1 1021 . 1 . 1 84 84 LYS HA H 1 5.142 0.020 . 1 . . . . A 84 LYS HA . 34746 1 1022 . 1 . 1 84 84 LYS HB2 H 1 1.548 0.020 . 2 . . . . A 84 LYS HB2 . 34746 1 1023 . 1 . 1 84 84 LYS HB3 H 1 1.748 0.020 . 2 . . . . A 84 LYS HB3 . 34746 1 1024 . 1 . 1 84 84 LYS HG2 H 1 1.358 0.020 . 2 . . . . A 84 LYS HG2 . 34746 1 1025 . 1 . 1 84 84 LYS HG3 H 1 1.428 0.020 . 2 . . . . A 84 LYS HG3 . 34746 1 1026 . 1 . 1 84 84 LYS HD2 H 1 1.531 0.020 . 2 . . . . A 84 LYS HD2 . 34746 1 1027 . 1 . 1 84 84 LYS HD3 H 1 1.531 0.020 . 2 . . . . A 84 LYS HD3 . 34746 1 1028 . 1 . 1 84 84 LYS HE2 H 1 2.857 0.020 . 2 . . . . A 84 LYS HE2 . 34746 1 1029 . 1 . 1 84 84 LYS HE3 H 1 2.824 0.020 . 2 . . . . A 84 LYS HE3 . 34746 1 1030 . 1 . 1 84 84 LYS C C 13 175.130 0.250 . 1 . . . . A 84 LYS C . 34746 1 1031 . 1 . 1 84 84 LYS CA C 13 54.510 0.250 . 1 . . . . A 84 LYS CA . 34746 1 1032 . 1 . 1 84 84 LYS CB C 13 36.574 0.250 . 1 . . . . A 84 LYS CB . 34746 1 1033 . 1 . 1 84 84 LYS CG C 13 23.730 0.250 . 1 . . . . A 84 LYS CG . 34746 1 1034 . 1 . 1 84 84 LYS CD C 13 29.433 0.250 . 1 . . . . A 84 LYS CD . 34746 1 1035 . 1 . 1 84 84 LYS CE C 13 41.795 0.250 . 1 . . . . A 84 LYS CE . 34746 1 1036 . 1 . 1 84 84 LYS N N 15 121.088 0.250 . 1 . . . . A 84 LYS N . 34746 1 1037 . 1 . 1 85 85 LYS H H 1 8.198 0.020 . 1 . . . . A 85 LYS H . 34746 1 1038 . 1 . 1 85 85 LYS HA H 1 4.462 0.020 . 1 . . . . A 85 LYS HA . 34746 1 1039 . 1 . 1 85 85 LYS HB2 H 1 2.071 0.020 . 2 . . . . A 85 LYS HB2 . 34746 1 1040 . 1 . 1 85 85 LYS HB3 H 1 1.831 0.020 . 2 . . . . A 85 LYS HB3 . 34746 1 1041 . 1 . 1 85 85 LYS HG2 H 1 1.951 0.020 . 2 . . . . A 85 LYS HG2 . 34746 1 1042 . 1 . 1 85 85 LYS HG3 H 1 1.328 0.020 . 2 . . . . A 85 LYS HG3 . 34746 1 1043 . 1 . 1 85 85 LYS HD2 H 1 1.763 0.020 . 2 . . . . A 85 LYS HD2 . 34746 1 1044 . 1 . 1 85 85 LYS HD3 H 1 1.725 0.020 . 2 . . . . A 85 LYS HD3 . 34746 1 1045 . 1 . 1 85 85 LYS HE2 H 1 3.125 0.020 . 2 . . . . A 85 LYS HE2 . 34746 1 1046 . 1 . 1 85 85 LYS HE3 H 1 3.071 0.020 . 2 . . . . A 85 LYS HE3 . 34746 1 1047 . 1 . 1 85 85 LYS C C 13 175.776 0.250 . 1 . . . . A 85 LYS C . 34746 1 1048 . 1 . 1 85 85 LYS CA C 13 57.168 0.250 . 1 . . . . A 85 LYS CA . 34746 1 1049 . 1 . 1 85 85 LYS CB C 13 33.682 0.250 . 1 . . . . A 85 LYS CB . 34746 1 1050 . 1 . 1 85 85 LYS CG C 13 24.180 0.250 . 1 . . . . A 85 LYS CG . 34746 1 1051 . 1 . 1 85 85 LYS CD C 13 29.664 0.250 . 1 . . . . A 85 LYS CD . 34746 1 1052 . 1 . 1 85 85 LYS CE C 13 42.314 0.250 . 1 . . . . A 85 LYS CE . 34746 1 1053 . 1 . 1 85 85 LYS N N 15 124.207 0.250 . 1 . . . . A 85 LYS N . 34746 1 1054 . 1 . 1 86 86 ALA H H 1 8.363 0.020 . 1 . . . . A 86 ALA H . 34746 1 1055 . 1 . 1 86 86 ALA HA H 1 4.466 0.020 . 1 . . . . A 86 ALA HA . 34746 1 1056 . 1 . 1 86 86 ALA HB1 H 1 1.489 0.020 . 1 . . . . A 86 ALA HB1 . 34746 1 1057 . 1 . 1 86 86 ALA HB2 H 1 1.489 0.020 . 1 . . . . A 86 ALA HB2 . 34746 1 1058 . 1 . 1 86 86 ALA HB3 H 1 1.489 0.020 . 1 . . . . A 86 ALA HB3 . 34746 1 1059 . 1 . 1 86 86 ALA C C 13 178.291 0.250 . 1 . . . . A 86 ALA C . 34746 1 1060 . 1 . 1 86 86 ALA CA C 13 52.697 0.250 . 1 . . . . A 86 ALA CA . 34746 1 1061 . 1 . 1 86 86 ALA CB C 13 19.907 0.250 . 1 . . . . A 86 ALA CB . 34746 1 1062 . 1 . 1 86 86 ALA N N 15 127.219 0.250 . 1 . . . . A 86 ALA N . 34746 1 1063 . 1 . 1 87 87 LEU H H 1 8.813 0.020 . 1 . . . . A 87 LEU H . 34746 1 1064 . 1 . 1 87 87 LEU HA H 1 4.136 0.020 . 1 . . . . A 87 LEU HA . 34746 1 1065 . 1 . 1 87 87 LEU HB2 H 1 1.741 0.020 . 2 . . . . A 87 LEU HB2 . 34746 1 1066 . 1 . 1 87 87 LEU HB3 H 1 1.660 0.020 . 2 . . . . A 87 LEU HB3 . 34746 1 1067 . 1 . 1 87 87 LEU HG H 1 1.751 0.020 . 1 . . . . A 87 LEU HG . 34746 1 1068 . 1 . 1 87 87 LEU HD11 H 1 0.969 0.020 . 2 . . . . A 87 LEU HD11 . 34746 1 1069 . 1 . 1 87 87 LEU HD12 H 1 0.969 0.020 . 2 . . . . A 87 LEU HD12 . 34746 1 1070 . 1 . 1 87 87 LEU HD13 H 1 0.969 0.020 . 2 . . . . A 87 LEU HD13 . 34746 1 1071 . 1 . 1 87 87 LEU HD21 H 1 0.938 0.020 . 2 . . . . A 87 LEU HD21 . 34746 1 1072 . 1 . 1 87 87 LEU HD22 H 1 0.938 0.020 . 2 . . . . A 87 LEU HD22 . 34746 1 1073 . 1 . 1 87 87 LEU HD23 H 1 0.938 0.020 . 2 . . . . A 87 LEU HD23 . 34746 1 1074 . 1 . 1 87 87 LEU C C 13 178.001 0.250 . 1 . . . . A 87 LEU C . 34746 1 1075 . 1 . 1 87 87 LEU CA C 13 57.558 0.250 . 1 . . . . A 87 LEU CA . 34746 1 1076 . 1 . 1 87 87 LEU CB C 13 41.771 0.250 . 1 . . . . A 87 LEU CB . 34746 1 1077 . 1 . 1 87 87 LEU CG C 13 27.150 0.250 . 1 . . . . A 87 LEU CG . 34746 1 1078 . 1 . 1 87 87 LEU CD1 C 13 24.490 0.250 . 2 . . . . A 87 LEU CD1 . 34746 1 1079 . 1 . 1 87 87 LEU CD2 C 13 23.750 0.250 . 2 . . . . A 87 LEU CD2 . 34746 1 1080 . 1 . 1 87 87 LEU N N 15 123.055 0.250 . 1 . . . . A 87 LEU N . 34746 1 1081 . 1 . 1 88 88 SER H H 1 7.804 0.020 . 1 . . . . A 88 SER H . 34746 1 1082 . 1 . 1 88 88 SER HA H 1 4.507 0.020 . 1 . . . . A 88 SER HA . 34746 1 1083 . 1 . 1 88 88 SER HB2 H 1 3.910 0.020 . 2 . . . . A 88 SER HB2 . 34746 1 1084 . 1 . 1 88 88 SER HB3 H 1 3.799 0.020 . 2 . . . . A 88 SER HB3 . 34746 1 1085 . 1 . 1 88 88 SER C C 13 175.078 0.250 . 1 . . . . A 88 SER C . 34746 1 1086 . 1 . 1 88 88 SER CA C 13 57.760 0.250 . 1 . . . . A 88 SER CA . 34746 1 1087 . 1 . 1 88 88 SER CB C 13 64.061 0.250 . 1 . . . . A 88 SER CB . 34746 1 1088 . 1 . 1 88 88 SER N N 15 109.674 0.250 . 1 . . . . A 88 SER N . 34746 1 1089 . 1 . 1 89 89 GLY H H 1 8.307 0.020 . 1 . . . . A 89 GLY H . 34746 1 1090 . 1 . 1 89 89 GLY HA2 H 1 4.153 0.020 . 1 . . . . A 89 GLY HA2 . 34746 1 1091 . 1 . 1 89 89 GLY HA3 H 1 3.749 0.020 . 1 . . . . A 89 GLY HA3 . 34746 1 1092 . 1 . 1 89 89 GLY C C 13 173.222 0.250 . 1 . . . . A 89 GLY C . 34746 1 1093 . 1 . 1 89 89 GLY CA C 13 45.367 0.250 . 1 . . . . A 89 GLY CA . 34746 1 1094 . 1 . 1 89 89 GLY N N 15 109.768 0.250 . 1 . . . . A 89 GLY N . 34746 1 1095 . 1 . 1 90 90 ASP H H 1 8.289 0.020 . 1 . . . . A 90 ASP H . 34746 1 1096 . 1 . 1 90 90 ASP HA H 1 4.701 0.020 . 1 . . . . A 90 ASP HA . 34746 1 1097 . 1 . 1 90 90 ASP HB2 H 1 2.725 0.020 . 2 . . . . A 90 ASP HB2 . 34746 1 1098 . 1 . 1 90 90 ASP HB3 H 1 2.725 0.020 . 2 . . . . A 90 ASP HB3 . 34746 1 1099 . 1 . 1 90 90 ASP C C 13 174.683 0.250 . 1 . . . . A 90 ASP C . 34746 1 1100 . 1 . 1 90 90 ASP CA C 13 53.372 0.250 . 1 . . . . A 90 ASP CA . 34746 1 1101 . 1 . 1 90 90 ASP CB C 13 40.355 0.250 . 1 . . . . A 90 ASP CB . 34746 1 1102 . 1 . 1 90 90 ASP N N 15 118.707 0.250 . 1 . . . . A 90 ASP N . 34746 1 1103 . 1 . 1 91 91 SER H H 1 7.309 0.020 . 1 . . . . A 91 SER H . 34746 1 1104 . 1 . 1 91 91 SER HA H 1 4.527 0.020 . 1 . . . . A 91 SER HA . 34746 1 1105 . 1 . 1 91 91 SER HB2 H 1 3.731 0.020 . 2 . . . . A 91 SER HB2 . 34746 1 1106 . 1 . 1 91 91 SER HB3 H 1 3.543 0.020 . 2 . . . . A 91 SER HB3 . 34746 1 1107 . 1 . 1 91 91 SER C C 13 171.221 0.250 . 1 . . . . A 91 SER C . 34746 1 1108 . 1 . 1 91 91 SER CA C 13 57.911 0.250 . 1 . . . . A 91 SER CA . 34746 1 1109 . 1 . 1 91 91 SER CB C 13 64.526 0.250 . 1 . . . . A 91 SER CB . 34746 1 1110 . 1 . 1 91 91 SER N N 15 112.167 0.250 . 1 . . . . A 91 SER N . 34746 1 1111 . 1 . 1 92 92 TYR H H 1 8.786 0.020 . 1 . . . . A 92 TYR H . 34746 1 1112 . 1 . 1 92 92 TYR HA H 1 4.777 0.020 . 1 . . . . A 92 TYR HA . 34746 1 1113 . 1 . 1 92 92 TYR HB2 H 1 2.822 0.020 . 2 . . . . A 92 TYR HB2 . 34746 1 1114 . 1 . 1 92 92 TYR HB3 H 1 2.685 0.020 . 2 . . . . A 92 TYR HB3 . 34746 1 1115 . 1 . 1 92 92 TYR HD1 H 1 6.792 0.020 . 1 . . . . A 92 TYR HD1 . 34746 1 1116 . 1 . 1 92 92 TYR HD2 H 1 6.792 0.020 . 1 . . . . A 92 TYR HD2 . 34746 1 1117 . 1 . 1 92 92 TYR HE1 H 1 6.544 0.020 . 1 . . . . A 92 TYR HE1 . 34746 1 1118 . 1 . 1 92 92 TYR HE2 H 1 6.544 0.020 . 1 . . . . A 92 TYR HE2 . 34746 1 1119 . 1 . 1 92 92 TYR C C 13 172.893 0.250 . 1 . . . . A 92 TYR C . 34746 1 1120 . 1 . 1 92 92 TYR CA C 13 57.762 0.250 . 1 . . . . A 92 TYR CA . 34746 1 1121 . 1 . 1 92 92 TYR CB C 13 42.089 0.250 . 1 . . . . A 92 TYR CB . 34746 1 1122 . 1 . 1 92 92 TYR CD1 C 13 133.238 0.250 . 3 . . . . A 92 TYR CD1 . 34746 1 1123 . 1 . 1 92 92 TYR CE1 C 13 117.253 0.250 . 3 . . . . A 92 TYR CE1 . 34746 1 1124 . 1 . 1 92 92 TYR N N 15 116.998 0.250 . 1 . . . . A 92 TYR N . 34746 1 1125 . 1 . 1 93 93 TRP H H 1 9.234 0.020 . 1 . . . . A 93 TRP H . 34746 1 1126 . 1 . 1 93 93 TRP HA H 1 5.177 0.020 . 1 . . . . A 93 TRP HA . 34746 1 1127 . 1 . 1 93 93 TRP HB2 H 1 2.494 0.020 . 2 . . . . A 93 TRP HB2 . 34746 1 1128 . 1 . 1 93 93 TRP HB3 H 1 2.134 0.020 . 2 . . . . A 93 TRP HB3 . 34746 1 1129 . 1 . 1 93 93 TRP HD1 H 1 6.758 0.020 . 1 . . . . A 93 TRP HD1 . 34746 1 1130 . 1 . 1 93 93 TRP HE1 H 1 10.151 0.020 . 1 . . . . A 93 TRP HE1 . 34746 1 1131 . 1 . 1 93 93 TRP HE3 H 1 7.071 0.020 . 1 . . . . A 93 TRP HE3 . 34746 1 1132 . 1 . 1 93 93 TRP HZ2 H 1 7.351 0.020 . 1 . . . . A 93 TRP HZ2 . 34746 1 1133 . 1 . 1 93 93 TRP HZ3 H 1 6.774 0.020 . 1 . . . . A 93 TRP HZ3 . 34746 1 1134 . 1 . 1 93 93 TRP HH2 H 1 7.024 0.020 . 1 . . . . A 93 TRP HH2 . 34746 1 1135 . 1 . 1 93 93 TRP C C 13 174.670 0.250 . 1 . . . . A 93 TRP C . 34746 1 1136 . 1 . 1 93 93 TRP CA C 13 55.959 0.250 . 1 . . . . A 93 TRP CA . 34746 1 1137 . 1 . 1 93 93 TRP CB C 13 33.140 0.250 . 1 . . . . A 93 TRP CB . 34746 1 1138 . 1 . 1 93 93 TRP CD1 C 13 124.809 0.250 . 1 . . . . A 93 TRP CD1 . 34746 1 1139 . 1 . 1 93 93 TRP CE3 C 13 121.356 0.250 . 1 . . . . A 93 TRP CE3 . 34746 1 1140 . 1 . 1 93 93 TRP CZ2 C 13 114.545 0.250 . 1 . . . . A 93 TRP CZ2 . 34746 1 1141 . 1 . 1 93 93 TRP CZ3 C 13 120.972 0.250 . 1 . . . . A 93 TRP CZ3 . 34746 1 1142 . 1 . 1 93 93 TRP CH2 C 13 124.519 0.250 . 1 . . . . A 93 TRP CH2 . 34746 1 1143 . 1 . 1 93 93 TRP N N 15 122.064 0.250 . 1 . . . . A 93 TRP N . 34746 1 1144 . 1 . 1 93 93 TRP NE1 N 15 127.608 0.250 . 1 . . . . A 93 TRP NE1 . 34746 1 1145 . 1 . 1 94 94 VAL H H 1 9.223 0.020 . 1 . . . . A 94 VAL H . 34746 1 1146 . 1 . 1 94 94 VAL HA H 1 4.324 0.020 . 1 . . . . A 94 VAL HA . 34746 1 1147 . 1 . 1 94 94 VAL HB H 1 1.827 0.020 . 1 . . . . A 94 VAL HB . 34746 1 1148 . 1 . 1 94 94 VAL HG11 H 1 0.662 0.020 . 2 . . . . A 94 VAL HG11 . 34746 1 1149 . 1 . 1 94 94 VAL HG12 H 1 0.662 0.020 . 2 . . . . A 94 VAL HG12 . 34746 1 1150 . 1 . 1 94 94 VAL HG13 H 1 0.662 0.020 . 2 . . . . A 94 VAL HG13 . 34746 1 1151 . 1 . 1 94 94 VAL HG21 H 1 0.547 0.020 . 2 . . . . A 94 VAL HG21 . 34746 1 1152 . 1 . 1 94 94 VAL HG22 H 1 0.547 0.020 . 2 . . . . A 94 VAL HG22 . 34746 1 1153 . 1 . 1 94 94 VAL HG23 H 1 0.547 0.020 . 2 . . . . A 94 VAL HG23 . 34746 1 1154 . 1 . 1 94 94 VAL C C 13 174.262 0.250 . 1 . . . . A 94 VAL C . 34746 1 1155 . 1 . 1 94 94 VAL CA C 13 61.227 0.250 . 1 . . . . A 94 VAL CA . 34746 1 1156 . 1 . 1 94 94 VAL CB C 13 33.190 0.250 . 1 . . . . A 94 VAL CB . 34746 1 1157 . 1 . 1 94 94 VAL CG1 C 13 21.856 0.250 . 2 . . . . A 94 VAL CG1 . 34746 1 1158 . 1 . 1 94 94 VAL CG2 C 13 20.096 0.250 . 2 . . . . A 94 VAL CG2 . 34746 1 1159 . 1 . 1 94 94 VAL N N 15 121.120 0.250 . 1 . . . . A 94 VAL N . 34746 1 1160 . 1 . 1 95 95 PHE H H 1 9.285 0.020 . 1 . . . . A 95 PHE H . 34746 1 1161 . 1 . 1 95 95 PHE HA H 1 5.823 0.020 . 1 . . . . A 95 PHE HA . 34746 1 1162 . 1 . 1 95 95 PHE HB2 H 1 3.018 0.020 . 2 . . . . A 95 PHE HB2 . 34746 1 1163 . 1 . 1 95 95 PHE HB3 H 1 3.018 0.020 . 2 . . . . A 95 PHE HB3 . 34746 1 1164 . 1 . 1 95 95 PHE HD1 H 1 7.182 0.020 . 1 . . . . A 95 PHE HD1 . 34746 1 1165 . 1 . 1 95 95 PHE HD2 H 1 7.182 0.020 . 1 . . . . A 95 PHE HD2 . 34746 1 1166 . 1 . 1 95 95 PHE HE1 H 1 6.835 0.020 . 1 . . . . A 95 PHE HE1 . 34746 1 1167 . 1 . 1 95 95 PHE HE2 H 1 6.835 0.020 . 1 . . . . A 95 PHE HE2 . 34746 1 1168 . 1 . 1 95 95 PHE HZ H 1 6.440 0.020 . 1 . . . . A 95 PHE HZ . 34746 1 1169 . 1 . 1 95 95 PHE C C 13 176.329 0.250 . 1 . . . . A 95 PHE C . 34746 1 1170 . 1 . 1 95 95 PHE CA C 13 55.693 0.250 . 1 . . . . A 95 PHE CA . 34746 1 1171 . 1 . 1 95 95 PHE CB C 13 40.746 0.250 . 1 . . . . A 95 PHE CB . 34746 1 1172 . 1 . 1 95 95 PHE CD1 C 13 131.545 0.250 . 3 . . . . A 95 PHE CD1 . 34746 1 1173 . 1 . 1 95 95 PHE CE1 C 13 130.936 0.250 . 3 . . . . A 95 PHE CE1 . 34746 1 1174 . 1 . 1 95 95 PHE CZ C 13 129.177 0.250 . 1 . . . . A 95 PHE CZ . 34746 1 1175 . 1 . 1 95 95 PHE N N 15 125.137 0.250 . 1 . . . . A 95 PHE N . 34746 1 1176 . 1 . 1 96 96 VAL H H 1 9.018 0.020 . 1 . . . . A 96 VAL H . 34746 1 1177 . 1 . 1 96 96 VAL HA H 1 4.837 0.020 . 1 . . . . A 96 VAL HA . 34746 1 1178 . 1 . 1 96 96 VAL HB H 1 2.613 0.020 . 1 . . . . A 96 VAL HB . 34746 1 1179 . 1 . 1 96 96 VAL HG11 H 1 0.942 0.020 . 2 . . . . A 96 VAL HG11 . 34746 1 1180 . 1 . 1 96 96 VAL HG12 H 1 0.942 0.020 . 2 . . . . A 96 VAL HG12 . 34746 1 1181 . 1 . 1 96 96 VAL HG13 H 1 0.942 0.020 . 2 . . . . A 96 VAL HG13 . 34746 1 1182 . 1 . 1 96 96 VAL HG21 H 1 0.934 0.020 . 2 . . . . A 96 VAL HG21 . 34746 1 1183 . 1 . 1 96 96 VAL HG22 H 1 0.934 0.020 . 2 . . . . A 96 VAL HG22 . 34746 1 1184 . 1 . 1 96 96 VAL HG23 H 1 0.934 0.020 . 2 . . . . A 96 VAL HG23 . 34746 1 1185 . 1 . 1 96 96 VAL C C 13 174.183 0.250 . 1 . . . . A 96 VAL C . 34746 1 1186 . 1 . 1 96 96 VAL CA C 13 62.000 0.250 . 1 . . . . A 96 VAL CA . 34746 1 1187 . 1 . 1 96 96 VAL CB C 13 34.824 0.250 . 1 . . . . A 96 VAL CB . 34746 1 1188 . 1 . 1 96 96 VAL CG1 C 13 21.883 0.250 . 2 . . . . A 96 VAL CG1 . 34746 1 1189 . 1 . 1 96 96 VAL CG2 C 13 21.267 0.250 . 2 . . . . A 96 VAL CG2 . 34746 1 1190 . 1 . 1 96 96 VAL N N 15 125.686 0.250 . 1 . . . . A 96 VAL N . 34746 1 1191 . 1 . 1 97 97 LYS H H 1 8.559 0.020 . 1 . . . . A 97 LYS H . 34746 1 1192 . 1 . 1 97 97 LYS HA H 1 4.993 0.020 . 1 . . . . A 97 LYS HA . 34746 1 1193 . 1 . 1 97 97 LYS HB2 H 1 1.790 0.020 . 2 . . . . A 97 LYS HB2 . 34746 1 1194 . 1 . 1 97 97 LYS HB3 H 1 1.666 0.020 . 2 . . . . A 97 LYS HB3 . 34746 1 1195 . 1 . 1 97 97 LYS HG2 H 1 1.437 0.020 . 2 . . . . A 97 LYS HG2 . 34746 1 1196 . 1 . 1 97 97 LYS HG3 H 1 1.344 0.020 . 2 . . . . A 97 LYS HG3 . 34746 1 1197 . 1 . 1 97 97 LYS HD2 H 1 1.510 0.020 . 2 . . . . A 97 LYS HD2 . 34746 1 1198 . 1 . 1 97 97 LYS HD3 H 1 1.510 0.020 . 2 . . . . A 97 LYS HD3 . 34746 1 1199 . 1 . 1 97 97 LYS HE2 H 1 2.708 0.020 . 2 . . . . A 97 LYS HE2 . 34746 1 1200 . 1 . 1 97 97 LYS HE3 H 1 2.708 0.020 . 2 . . . . A 97 LYS HE3 . 34746 1 1201 . 1 . 1 97 97 LYS C C 13 175.921 0.250 . 1 . . . . A 97 LYS C . 34746 1 1202 . 1 . 1 97 97 LYS CA C 13 54.035 0.250 . 1 . . . . A 97 LYS CA . 34746 1 1203 . 1 . 1 97 97 LYS CB C 13 36.413 0.250 . 1 . . . . A 97 LYS CB . 34746 1 1204 . 1 . 1 97 97 LYS CG C 13 24.551 0.250 . 1 . . . . A 97 LYS CG . 34746 1 1205 . 1 . 1 97 97 LYS CD C 13 29.645 0.250 . 1 . . . . A 97 LYS CD . 34746 1 1206 . 1 . 1 97 97 LYS CE C 13 41.852 0.250 . 1 . . . . A 97 LYS CE . 34746 1 1207 . 1 . 1 97 97 LYS N N 15 124.031 0.250 . 1 . . . . A 97 LYS N . 34746 1 1208 . 1 . 1 98 98 ARG H H 1 9.077 0.020 . 1 . . . . A 98 ARG H . 34746 1 1209 . 1 . 1 98 98 ARG HA H 1 4.344 0.020 . 1 . . . . A 98 ARG HA . 34746 1 1210 . 1 . 1 98 98 ARG HB2 H 1 1.670 0.020 . 2 . . . . A 98 ARG HB2 . 34746 1 1211 . 1 . 1 98 98 ARG HB3 H 1 1.915 0.020 . 2 . . . . A 98 ARG HB3 . 34746 1 1212 . 1 . 1 98 98 ARG HG2 H 1 1.739 0.020 . 2 . . . . A 98 ARG HG2 . 34746 1 1213 . 1 . 1 98 98 ARG HG3 H 1 1.494 0.020 . 2 . . . . A 98 ARG HG3 . 34746 1 1214 . 1 . 1 98 98 ARG HD2 H 1 3.264 0.020 . 2 . . . . A 98 ARG HD2 . 34746 1 1215 . 1 . 1 98 98 ARG HD3 H 1 3.212 0.020 . 2 . . . . A 98 ARG HD3 . 34746 1 1216 . 1 . 1 98 98 ARG C C 13 176.608 0.250 . 1 . . . . A 98 ARG C . 34746 1 1217 . 1 . 1 98 98 ARG CA C 13 57.888 0.250 . 1 . . . . A 98 ARG CA . 34746 1 1218 . 1 . 1 98 98 ARG CB C 13 30.867 0.250 . 1 . . . . A 98 ARG CB . 34746 1 1219 . 1 . 1 98 98 ARG CG C 13 28.510 0.250 . 1 . . . . A 98 ARG CG . 34746 1 1220 . 1 . 1 98 98 ARG CD C 13 43.606 0.250 . 1 . . . . A 98 ARG CD . 34746 1 1221 . 1 . 1 98 98 ARG N N 15 123.200 0.250 . 1 . . . . A 98 ARG N . 34746 1 1222 . 1 . 1 99 99 VAL H H 1 7.906 0.020 . 1 . . . . A 99 VAL H . 34746 1 1223 . 1 . 1 99 99 VAL HA H 1 4.094 0.020 . 1 . . . . A 99 VAL HA . 34746 1 1224 . 1 . 1 99 99 VAL HB H 1 1.824 0.020 . 1 . . . . A 99 VAL HB . 34746 1 1225 . 1 . 1 99 99 VAL HG11 H 1 0.936 0.020 . 2 . . . . A 99 VAL HG11 . 34746 1 1226 . 1 . 1 99 99 VAL HG12 H 1 0.936 0.020 . 2 . . . . A 99 VAL HG12 . 34746 1 1227 . 1 . 1 99 99 VAL HG13 H 1 0.936 0.020 . 2 . . . . A 99 VAL HG13 . 34746 1 1228 . 1 . 1 99 99 VAL HG21 H 1 0.901 0.020 . 2 . . . . A 99 VAL HG21 . 34746 1 1229 . 1 . 1 99 99 VAL HG22 H 1 0.901 0.020 . 2 . . . . A 99 VAL HG22 . 34746 1 1230 . 1 . 1 99 99 VAL HG23 H 1 0.901 0.020 . 2 . . . . A 99 VAL HG23 . 34746 1 1231 . 1 . 1 99 99 VAL C C 13 175.568 0.250 . 1 . . . . A 99 VAL C . 34746 1 1232 . 1 . 1 99 99 VAL CA C 13 62.682 0.250 . 1 . . . . A 99 VAL CA . 34746 1 1233 . 1 . 1 99 99 VAL CB C 13 32.593 0.250 . 1 . . . . A 99 VAL CB . 34746 1 1234 . 1 . 1 99 99 VAL CG1 C 13 21.337 0.250 . 2 . . . . A 99 VAL CG1 . 34746 1 1235 . 1 . 1 99 99 VAL CG2 C 13 21.319 0.250 . 2 . . . . A 99 VAL CG2 . 34746 1 1236 . 1 . 1 99 99 VAL N N 15 122.230 0.250 . 1 . . . . A 99 VAL N . 34746 1 1237 . 1 . 1 100 100 LYS H H 1 8.555 0.020 . 1 . . . . A 100 LYS H . 34746 1 1238 . 1 . 1 100 100 LYS HA H 1 4.347 0.020 . 1 . . . . A 100 LYS HA . 34746 1 1239 . 1 . 1 100 100 LYS HB2 H 1 1.819 0.020 . 2 . . . . A 100 LYS HB2 . 34746 1 1240 . 1 . 1 100 100 LYS HB3 H 1 1.750 0.020 . 2 . . . . A 100 LYS HB3 . 34746 1 1241 . 1 . 1 100 100 LYS HG2 H 1 1.451 0.020 . 2 . . . . A 100 LYS HG2 . 34746 1 1242 . 1 . 1 100 100 LYS HG3 H 1 1.390 0.020 . 2 . . . . A 100 LYS HG3 . 34746 1 1243 . 1 . 1 100 100 LYS HD2 H 1 1.706 0.020 . 2 . . . . A 100 LYS HD2 . 34746 1 1244 . 1 . 1 100 100 LYS HD3 H 1 1.706 0.020 . 2 . . . . A 100 LYS HD3 . 34746 1 1245 . 1 . 1 100 100 LYS HE2 H 1 3.005 0.020 . 2 . . . . A 100 LYS HE2 . 34746 1 1246 . 1 . 1 100 100 LYS HE3 H 1 3.005 0.020 . 2 . . . . A 100 LYS HE3 . 34746 1 1247 . 1 . 1 100 100 LYS C C 13 175.816 0.250 . 1 . . . . A 100 LYS C . 34746 1 1248 . 1 . 1 100 100 LYS CA C 13 56.158 0.250 . 1 . . . . A 100 LYS CA . 34746 1 1249 . 1 . 1 100 100 LYS CB C 13 33.221 0.250 . 1 . . . . A 100 LYS CB . 34746 1 1250 . 1 . 1 100 100 LYS CG C 13 24.719 0.250 . 1 . . . . A 100 LYS CG . 34746 1 1251 . 1 . 1 100 100 LYS CD C 13 29.158 0.250 . 1 . . . . A 100 LYS CD . 34746 1 1252 . 1 . 1 100 100 LYS CE C 13 41.938 0.250 . 1 . . . . A 100 LYS CE . 34746 1 1253 . 1 . 1 100 100 LYS N N 15 126.206 0.250 . 1 . . . . A 100 LYS N . 34746 1 1254 . 1 . 1 101 101 LEU H H 1 8.415 0.020 . 1 . . . . A 101 LEU H . 34746 1 1255 . 1 . 1 101 101 LEU HA H 1 4.347 0.020 . 1 . . . . A 101 LEU HA . 34746 1 1256 . 1 . 1 101 101 LEU HB2 H 1 1.635 0.020 . 2 . . . . A 101 LEU HB2 . 34746 1 1257 . 1 . 1 101 101 LEU HB3 H 1 1.601 0.020 . 2 . . . . A 101 LEU HB3 . 34746 1 1258 . 1 . 1 101 101 LEU HG H 1 1.675 0.020 . 1 . . . . A 101 LEU HG . 34746 1 1259 . 1 . 1 101 101 LEU HD11 H 1 0.952 0.020 . 2 . . . . A 101 LEU HD11 . 34746 1 1260 . 1 . 1 101 101 LEU HD12 H 1 0.952 0.020 . 2 . . . . A 101 LEU HD12 . 34746 1 1261 . 1 . 1 101 101 LEU HD13 H 1 0.952 0.020 . 2 . . . . A 101 LEU HD13 . 34746 1 1262 . 1 . 1 101 101 LEU HD21 H 1 0.893 0.020 . 2 . . . . A 101 LEU HD21 . 34746 1 1263 . 1 . 1 101 101 LEU HD22 H 1 0.893 0.020 . 2 . . . . A 101 LEU HD22 . 34746 1 1264 . 1 . 1 101 101 LEU HD23 H 1 0.893 0.020 . 2 . . . . A 101 LEU HD23 . 34746 1 1265 . 1 . 1 101 101 LEU C C 13 176.856 0.250 . 1 . . . . A 101 LEU C . 34746 1 1266 . 1 . 1 101 101 LEU CA C 13 54.858 0.250 . 1 . . . . A 101 LEU CA . 34746 1 1267 . 1 . 1 101 101 LEU CB C 13 42.492 0.250 . 1 . . . . A 101 LEU CB . 34746 1 1268 . 1 . 1 101 101 LEU CG C 13 26.907 0.250 . 1 . . . . A 101 LEU CG . 34746 1 1269 . 1 . 1 101 101 LEU CD1 C 13 24.936 0.250 . 2 . . . . A 101 LEU CD1 . 34746 1 1270 . 1 . 1 101 101 LEU CD2 C 13 23.591 0.250 . 2 . . . . A 101 LEU CD2 . 34746 1 1271 . 1 . 1 101 101 LEU N N 15 125.188 0.250 . 1 . . . . A 101 LEU N . 34746 1 1272 . 1 . 1 102 102 ALA H H 1 8.342 0.020 . 1 . . . . A 102 ALA H . 34746 1 1273 . 1 . 1 102 102 ALA HA H 1 4.276 0.020 . 1 . . . . A 102 ALA HA . 34746 1 1274 . 1 . 1 102 102 ALA HB1 H 1 1.391 0.020 . 1 . . . . A 102 ALA HB1 . 34746 1 1275 . 1 . 1 102 102 ALA HB2 H 1 1.391 0.020 . 1 . . . . A 102 ALA HB2 . 34746 1 1276 . 1 . 1 102 102 ALA HB3 H 1 1.391 0.020 . 1 . . . . A 102 ALA HB3 . 34746 1 1277 . 1 . 1 102 102 ALA C C 13 177.251 0.250 . 1 . . . . A 102 ALA C . 34746 1 1278 . 1 . 1 102 102 ALA CA C 13 52.366 0.250 . 1 . . . . A 102 ALA CA . 34746 1 1279 . 1 . 1 102 102 ALA CB C 13 19.115 0.250 . 1 . . . . A 102 ALA CB . 34746 1 1280 . 1 . 1 102 102 ALA N N 15 125.225 0.250 . 1 . . . . A 102 ALA N . 34746 1 1281 . 1 . 1 103 103 ALA H H 1 8.253 0.020 . 1 . . . . A 103 ALA H . 34746 1 1282 . 1 . 1 103 103 ALA HA H 1 4.275 0.020 . 1 . . . . A 103 ALA HA . 34746 1 1283 . 1 . 1 103 103 ALA HB1 H 1 1.391 0.020 . 1 . . . . A 103 ALA HB1 . 34746 1 1284 . 1 . 1 103 103 ALA HB2 H 1 1.391 0.020 . 1 . . . . A 103 ALA HB2 . 34746 1 1285 . 1 . 1 103 103 ALA HB3 H 1 1.391 0.020 . 1 . . . . A 103 ALA HB3 . 34746 1 1286 . 1 . 1 103 103 ALA C C 13 177.412 0.250 . 1 . . . . A 103 ALA C . 34746 1 1287 . 1 . 1 103 103 ALA CA C 13 52.419 0.250 . 1 . . . . A 103 ALA CA . 34746 1 1288 . 1 . 1 103 103 ALA CB C 13 19.115 0.250 . 1 . . . . A 103 ALA CB . 34746 1 1289 . 1 . 1 103 103 ALA N N 15 123.261 0.250 . 1 . . . . A 103 ALA N . 34746 1 1290 . 1 . 1 104 104 ALA H H 1 8.240 0.020 . 1 . . . . A 104 ALA H . 34746 1 1291 . 1 . 1 104 104 ALA HA H 1 4.265 0.020 . 1 . . . . A 104 ALA HA . 34746 1 1292 . 1 . 1 104 104 ALA HB1 H 1 1.391 0.020 . 1 . . . . A 104 ALA HB1 . 34746 1 1293 . 1 . 1 104 104 ALA HB2 H 1 1.391 0.020 . 1 . . . . A 104 ALA HB2 . 34746 1 1294 . 1 . 1 104 104 ALA HB3 H 1 1.391 0.020 . 1 . . . . A 104 ALA HB3 . 34746 1 1295 . 1 . 1 104 104 ALA C C 13 177.556 0.250 . 1 . . . . A 104 ALA C . 34746 1 1296 . 1 . 1 104 104 ALA CA C 13 52.483 0.250 . 1 . . . . A 104 ALA CA . 34746 1 1297 . 1 . 1 104 104 ALA CB C 13 19.180 0.250 . 1 . . . . A 104 ALA CB . 34746 1 1298 . 1 . 1 104 104 ALA N N 15 122.563 0.250 . 1 . . . . A 104 ALA N . 34746 1 1299 . 1 . 1 105 105 LEU H H 1 8.137 0.020 . 1 . . . . A 105 LEU H . 34746 1 1300 . 1 . 1 105 105 LEU HA H 1 4.294 0.020 . 1 . . . . A 105 LEU HA . 34746 1 1301 . 1 . 1 105 105 LEU HB2 H 1 1.607 0.020 . 2 . . . . A 105 LEU HB2 . 34746 1 1302 . 1 . 1 105 105 LEU HB3 H 1 1.527 0.020 . 2 . . . . A 105 LEU HB3 . 34746 1 1303 . 1 . 1 105 105 LEU HG H 1 1.609 0.020 . 1 . . . . A 105 LEU HG . 34746 1 1304 . 1 . 1 105 105 LEU HD11 H 1 0.916 0.020 . 2 . . . . A 105 LEU HD11 . 34746 1 1305 . 1 . 1 105 105 LEU HD12 H 1 0.916 0.020 . 2 . . . . A 105 LEU HD12 . 34746 1 1306 . 1 . 1 105 105 LEU HD13 H 1 0.916 0.020 . 2 . . . . A 105 LEU HD13 . 34746 1 1307 . 1 . 1 105 105 LEU HD21 H 1 0.852 0.020 . 2 . . . . A 105 LEU HD21 . 34746 1 1308 . 1 . 1 105 105 LEU HD22 H 1 0.852 0.020 . 2 . . . . A 105 LEU HD22 . 34746 1 1309 . 1 . 1 105 105 LEU HD23 H 1 0.852 0.020 . 2 . . . . A 105 LEU HD23 . 34746 1 1310 . 1 . 1 105 105 LEU C C 13 177.227 0.250 . 1 . . . . A 105 LEU C . 34746 1 1311 . 1 . 1 105 105 LEU CA C 13 55.066 0.250 . 1 . . . . A 105 LEU CA . 34746 1 1312 . 1 . 1 105 105 LEU CB C 13 42.253 0.250 . 1 . . . . A 105 LEU CB . 34746 1 1313 . 1 . 1 105 105 LEU CG C 13 26.893 0.250 . 1 . . . . A 105 LEU CG . 34746 1 1314 . 1 . 1 105 105 LEU CD1 C 13 24.928 0.250 . 2 . . . . A 105 LEU CD1 . 34746 1 1315 . 1 . 1 105 105 LEU CD2 C 13 23.350 0.250 . 2 . . . . A 105 LEU CD2 . 34746 1 1316 . 1 . 1 105 105 LEU N N 15 120.674 0.250 . 1 . . . . A 105 LEU N . 34746 1 1317 . 1 . 1 106 106 GLU H H 1 8.267 0.020 . 1 . . . . A 106 GLU H . 34746 1 1318 . 1 . 1 106 106 GLU HA H 1 4.203 0.020 . 1 . . . . A 106 GLU HA . 34746 1 1319 . 1 . 1 106 106 GLU HB2 H 1 1.915 0.020 . 2 . . . . A 106 GLU HB2 . 34746 1 1320 . 1 . 1 106 106 GLU HB3 H 1 1.864 0.020 . 2 . . . . A 106 GLU HB3 . 34746 1 1321 . 1 . 1 106 106 GLU HG2 H 1 2.203 0.020 . 2 . . . . A 106 GLU HG2 . 34746 1 1322 . 1 . 1 106 106 GLU HG3 H 1 2.136 0.020 . 2 . . . . A 106 GLU HG3 . 34746 1 1323 . 1 . 1 106 106 GLU C C 13 176.003 0.250 . 1 . . . . A 106 GLU C . 34746 1 1324 . 1 . 1 106 106 GLU CA C 13 56.494 0.250 . 1 . . . . A 106 GLU CA . 34746 1 1325 . 1 . 1 106 106 GLU CB C 13 30.312 0.250 . 1 . . . . A 106 GLU CB . 34746 1 1326 . 1 . 1 106 106 GLU CG C 13 36.106 0.250 . 1 . . . . A 106 GLU CG . 34746 1 1327 . 1 . 1 106 106 GLU N N 15 121.017 0.250 . 1 . . . . A 106 GLU N . 34746 1 1328 . 1 . 1 107 107 HIS H H 1 8.248 0.020 . 1 . . . . A 107 HIS H . 34746 1 1329 . 1 . 1 107 107 HIS HA H 1 4.553 0.020 . 1 . . . . A 107 HIS HA . 34746 1 1330 . 1 . 1 107 107 HIS HB2 H 1 2.992 0.020 . 2 . . . . A 107 HIS HB2 . 34746 1 1331 . 1 . 1 107 107 HIS HB3 H 1 2.992 0.020 . 2 . . . . A 107 HIS HB3 . 34746 1 1332 . 1 . 1 107 107 HIS C C 13 174.976 0.250 . 1 . . . . A 107 HIS C . 34746 1 1333 . 1 . 1 107 107 HIS CA C 13 56.103 0.250 . 1 . . . . A 107 HIS CA . 34746 1 1334 . 1 . 1 107 107 HIS CB C 13 30.636 0.250 . 1 . . . . A 107 HIS CB . 34746 1 1335 . 1 . 1 107 107 HIS N N 15 119.897 0.250 . 1 . . . . A 107 HIS N . 34746 1 1336 . 1 . 1 111 111 HIS HA H 1 4.594 0.020 . 1 . . . . A 111 HIS HA . 34746 1 1337 . 1 . 1 111 111 HIS HB2 H 1 2.994 0.020 . 2 . . . . A 111 HIS HB2 . 34746 1 1338 . 1 . 1 111 111 HIS HB3 H 1 2.944 0.020 . 2 . . . . A 111 HIS HB3 . 34746 1 1339 . 1 . 1 111 111 HIS C C 13 173.988 0.250 . 1 . . . . A 111 HIS C . 34746 1 1340 . 1 . 1 111 111 HIS CA C 13 56.028 0.250 . 1 . . . . A 111 HIS CA . 34746 1 1341 . 1 . 1 111 111 HIS CB C 13 30.665 0.250 . 1 . . . . A 111 HIS CB . 34746 1 1342 . 1 . 1 112 112 HIS H H 1 8.001 0.020 . 1 . . . . A 112 HIS H . 34746 1 1343 . 1 . 1 112 112 HIS HA H 1 4.415 0.020 . 1 . . . . A 112 HIS HA . 34746 1 1344 . 1 . 1 112 112 HIS HB2 H 1 3.174 0.020 . 2 . . . . A 112 HIS HB2 . 34746 1 1345 . 1 . 1 112 112 HIS HB3 H 1 3.047 0.020 . 2 . . . . A 112 HIS HB3 . 34746 1 1346 . 1 . 1 112 112 HIS C C 13 179.202 0.250 . 1 . . . . A 112 HIS C . 34746 1 1347 . 1 . 1 112 112 HIS CA C 13 57.401 0.250 . 1 . . . . A 112 HIS CA . 34746 1 1348 . 1 . 1 112 112 HIS CB C 13 30.636 0.250 . 1 . . . . A 112 HIS CB . 34746 1 1349 . 1 . 1 112 112 HIS N N 15 125.430 0.250 . 1 . . . . A 112 HIS N . 34746 1 1350 . 2 . 2 1 1 O1F H331 H 1 3.795 0.020 . 1 . . . . A 123 O1F H331 . 34746 1 1351 . 2 . 2 1 1 O1F H332 H 1 3.795 0.020 . 1 . . . . A 123 O1F H332 . 34746 1 1352 . 2 . 2 1 1 O1F H333 H 1 3.795 0.020 . 1 . . . . A 123 O1F H333 . 34746 1 1353 . 2 . 2 1 1 O1F H21 H 1 6.277 0.020 . 1 . . . . A 123 O1F H21 . 34746 1 1354 . 2 . 2 1 1 O1F H231 H 1 3.619 0.020 . 1 . . . . A 123 O1F H231 . 34746 1 1355 . 2 . 2 1 1 O1F H232 H 1 3.619 0.020 . 1 . . . . A 123 O1F H232 . 34746 1 1356 . 2 . 2 1 1 O1F H233 H 1 3.619 0.020 . 1 . . . . A 123 O1F H233 . 34746 1 1357 . 2 . 2 1 1 O1F H32 H 1 6.967 0.020 . 1 . . . . A 123 O1F H32 . 34746 1 1358 . 2 . 2 1 1 O1F H45 H 1 8.049 0.020 . 1 . . . . A 123 O1F H45 . 34746 1 stop_ save_