data_15948 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15948 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for the RING finger of the E3 ubiquitin ligase Arkadia (RNF111) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-09-10 _Entry.Accession_date 2008-09-10 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Nikolaos Kandias . G. . 15948 2 Christos Chasapis . T. . 15948 3 Vasso Episkopou . . . 15948 4 Detlef Bentrop . . . 15948 5 Georgios Spyroulias . A. . 15948 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Department of Physiology II, University of Freiburg, Germany' . 15948 1 . 'Department of Pharmacy, University of Patras, Greece' . 15948 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15948 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 290 15948 '15N chemical shifts' 71 15948 '1H chemical shifts' 467 15948 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-04-20 2008-09-10 update BMRB 'add related PDB ID' 15948 1 . . 2009-01-16 2008-09-10 original author 'original release' 15948 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KIZ 'BMRB Entry Tracking System' 15948 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15948 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19032943 _Citation.Full_citation . _Citation.Title 'High yield expression and NMR characterization of Arkadia E3 ubiquitin ligase RING-H2 finger domain' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Biophys. Res. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume 378 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 498 _Citation.Page_last 502 _Citation.Year 2009 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Nikolaos Kandias . G. . 15948 1 2 Christos Chasapis . T. . 15948 1 3 Detlef Bentrop . . . 15948 1 4 Vasso Episkopou . . . 15948 1 5 Georgios Spyroulias . A. . 15948 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15948 _Assembly.ID 1 _Assembly.Name 'RING Finger monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 8080 _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 'RING Finger' 1 $E3_ubiquitin_ligase_Arkadia A . yes native yes no . . . 15948 1 2 'Zinc ion, 1' 2 $ZN B . no native yes no . . . 15948 1 3 'Zinc ion, 2' 2 $ZN C . no native yes no . . . 15948 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 'RING Finger' 1 CYS 17 17 SG . 2 'Zinc ion, 1' 2 ZN 1 1 ZN . . . . . . . . . . 15948 1 2 coordination single . 1 'RING Finger' 1 CYS 20 20 SG . 2 'Zinc ion, 1' 2 ZN 1 1 ZN . . . . . . . . . . 15948 1 3 coordination single . 1 'RING Finger' 1 HIS 40 40 ND1 . 2 'Zinc ion, 1' 2 ZN 1 1 ZN . . . . . . . . . . 15948 1 4 coordination single . 1 'RING Finger' 1 CYS 43 43 SG . 2 'Zinc ion, 1' 2 ZN 1 1 ZN . . . . . . . . . . 15948 1 5 coordination single . 1 'RING Finger' 1 CYS 35 35 SG . 3 'Zinc ion, 2' 2 ZN 1 1 ZN . . . . . . . . . . 15948 1 6 coordination single . 1 'RING Finger' 1 HIS 37 37 ND1 . 3 'Zinc ion, 2' 2 ZN 1 1 ZN . . . . . . . . . . 15948 1 7 coordination single . 1 'RING Finger' 1 CYS 54 54 SG . 3 'Zinc ion, 2' 2 ZN 1 1 ZN . . . . . . . . . . 15948 1 8 coordination single . 1 'RING Finger' 1 CYS 57 57 SG . 3 'Zinc ion, 2' 2 ZN 1 1 ZN . . . . . . . . . . 15948 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . 1 1 HIS 37 37 HD1 . 37 HIS HD1 15948 1 . . 1 1 HIS 40 40 HD1 . 40 HIS HD1 15948 1 . . 1 1 CYS 54 54 HG . 54 CYS HG 15948 1 . . 1 1 CYS 57 57 HG . 57 CYS HG 15948 1 . . 1 1 CYS 35 35 HG . 35 CYS HG 15948 1 . . 1 1 CYS 43 43 HG . 43 CYS HG 15948 1 . . 1 1 CYS 17 17 HG . 17 CYS HG 15948 1 . . 1 1 CYS 20 20 HG . 20 CYS HG 15948 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'E3 Ubiquitin Ligase' 15948 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_E3_ubiquitin_ligase_Arkadia _Entity.Sf_category entity _Entity.Sf_framecode E3_ubiquitin_ligase_Arkadia _Entity.Entry_ID 15948 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name E3_ubiquitin_ligase_Arkadia _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKQDGEEGTEEDTEEKCTIC LSILEEGEDVRRLPCMHLFH QVCVDQWLITNKKCPICRVD IEAQLPSES ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 69 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'RING Finger' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7951.0 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KIZ . "Solution Structure Of Arkadia Ring-h2 Finger Domain" . . . . . 98.55 69 100.00 100.00 2.80e-40 . . . . 15948 1 2 no DBJ BAC04531 . "unnamed protein product [Homo sapiens]" . . . . . 98.55 370 100.00 100.00 8.06e-40 . . . . 15948 1 3 no DBJ BAC29394 . "unnamed protein product [Mus musculus]" . . . . . 98.55 981 100.00 100.00 4.44e-38 . . . . 15948 1 4 no DBJ BAC33245 . "unnamed protein product [Mus musculus]" . . . . . 98.55 981 100.00 100.00 3.72e-38 . . . . 15948 1 5 no DBJ BAD18471 . "unnamed protein product [Homo sapiens]" . . . . . 98.55 994 98.53 100.00 5.71e-38 . . . . 15948 1 6 no DBJ BAD18633 . "unnamed protein product [Homo sapiens]" . . . . . 98.55 602 100.00 100.00 1.03e-39 . . . . 15948 1 7 no EMBL CAB75669 . "hypothetical protein [Homo sapiens]" . . . . . 98.55 178 100.00 100.00 2.07e-40 . . . . 15948 1 8 no EMBL CAD98031 . "hypothetical protein [Homo sapiens]" . . . . . 98.55 986 98.53 98.53 2.91e-37 . . . . 15948 1 9 no EMBL CAH93440 . "hypothetical protein [Pongo abelii]" . . . . . 98.55 986 100.00 100.00 2.78e-38 . . . . 15948 1 10 no GB AAH10369 . "RNF111 protein [Homo sapiens]" . . . . . 98.55 137 100.00 100.00 2.94e-40 . . . . 15948 1 11 no GB AAH20984 . "RNF111 protein, partial [Homo sapiens]" . . . . . 98.55 441 100.00 100.00 1.92e-40 . . . . 15948 1 12 no GB AAH54842 . "Rnf111 protein, partial [Mus musculus]" . . . . . 98.55 185 100.00 100.00 2.70e-40 . . . . 15948 1 13 no GB AAH60862 . "Ring finger protein 111 [Homo sapiens]" . . . . . 98.55 985 100.00 100.00 3.54e-38 . . . . 15948 1 14 no GB AAH69835 . "Rnf111 protein [Mus musculus]" . . . . . 98.55 981 100.00 100.00 4.44e-38 . . . . 15948 1 15 no REF NP_001095709 . "E3 ubiquitin-protein ligase Arkadia [Bos taurus]" . . . . . 98.55 994 100.00 100.00 3.61e-38 . . . . 15948 1 16 no REF NP_001100306 . "E3 ubiquitin-protein ligase Arkadia [Rattus norvegicus]" . . . . . 98.55 987 100.00 100.00 2.78e-38 . . . . 15948 1 17 no REF NP_001124565 . "E3 ubiquitin-protein ligase Arkadia [Pongo abelii]" . . . . . 98.55 986 100.00 100.00 2.78e-38 . . . . 15948 1 18 no REF NP_001186680 . "E3 ubiquitin-protein ligase Arkadia [Gallus gallus]" . . . . . 98.55 985 100.00 100.00 1.62e-38 . . . . 15948 1 19 no REF NP_001257457 . "E3 ubiquitin-protein ligase Arkadia isoform 1 [Homo sapiens]" . . . . . 98.55 995 100.00 100.00 3.41e-38 . . . . 15948 1 20 no SP Q5R476 . "RecName: Full=E3 ubiquitin-protein ligase Arkadia; AltName: Full=RING finger protein 111" . . . . . 98.55 986 100.00 100.00 2.78e-38 . . . . 15948 1 21 no SP Q6ZNA4 . "RecName: Full=E3 ubiquitin-protein ligase Arkadia; AltName: Full=RING finger protein 111" . . . . . 98.55 994 100.00 100.00 3.43e-38 . . . . 15948 1 22 no SP Q99ML9 . "RecName: Full=E3 ubiquitin-protein ligase Arkadia; AltName: Full=RING finger protein 111" . . . . . 98.55 989 100.00 100.00 4.18e-38 . . . . 15948 1 23 no TPG DAA25343 . "TPA: ring finger protein 111 [Bos taurus]" . . . . . 98.55 994 100.00 100.00 3.61e-38 . . . . 15948 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'E3 ubiquitin ligase' 15948 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 . 15948 1 2 . LYS . 15948 1 3 . GLN . 15948 1 4 . ASP . 15948 1 5 . GLY . 15948 1 6 . GLU . 15948 1 7 . GLU . 15948 1 8 . GLY . 15948 1 9 . THR . 15948 1 10 . GLU . 15948 1 11 . GLU . 15948 1 12 . ASP . 15948 1 13 . THR . 15948 1 14 . GLU . 15948 1 15 . GLU . 15948 1 16 . LYS . 15948 1 17 . CYS . 15948 1 18 . THR . 15948 1 19 . ILE . 15948 1 20 . CYS . 15948 1 21 . LEU . 15948 1 22 . SER . 15948 1 23 . ILE . 15948 1 24 . LEU . 15948 1 25 . GLU . 15948 1 26 . GLU . 15948 1 27 . GLY . 15948 1 28 . GLU . 15948 1 29 . ASP . 15948 1 30 . VAL . 15948 1 31 . ARG . 15948 1 32 . ARG . 15948 1 33 . LEU . 15948 1 34 . PRO . 15948 1 35 . CYS . 15948 1 36 . MET . 15948 1 37 . HIS . 15948 1 38 . LEU . 15948 1 39 . PHE . 15948 1 40 . HIS . 15948 1 41 . GLN . 15948 1 42 . VAL . 15948 1 43 . CYS . 15948 1 44 . VAL . 15948 1 45 . ASP . 15948 1 46 . GLN . 15948 1 47 . TRP . 15948 1 48 . LEU . 15948 1 49 . ILE . 15948 1 50 . THR . 15948 1 51 . ASN . 15948 1 52 . LYS . 15948 1 53 . LYS . 15948 1 54 . CYS . 15948 1 55 . PRO . 15948 1 56 . ILE . 15948 1 57 . CYS . 15948 1 58 . ARG . 15948 1 59 . VAL . 15948 1 60 . ASP . 15948 1 61 . ILE . 15948 1 62 . GLU . 15948 1 63 . ALA . 15948 1 64 . GLN . 15948 1 65 . LEU . 15948 1 66 . PRO . 15948 1 67 . SER . 15948 1 68 . GLU . 15948 1 69 . SER . 15948 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 15948 1 . LYS 2 2 15948 1 . GLN 3 3 15948 1 . ASP 4 4 15948 1 . GLY 5 5 15948 1 . GLU 6 6 15948 1 . GLU 7 7 15948 1 . GLY 8 8 15948 1 . THR 9 9 15948 1 . GLU 10 10 15948 1 . GLU 11 11 15948 1 . ASP 12 12 15948 1 . THR 13 13 15948 1 . GLU 14 14 15948 1 . GLU 15 15 15948 1 . LYS 16 16 15948 1 . CYS 17 17 15948 1 . THR 18 18 15948 1 . ILE 19 19 15948 1 . CYS 20 20 15948 1 . LEU 21 21 15948 1 . SER 22 22 15948 1 . ILE 23 23 15948 1 . LEU 24 24 15948 1 . GLU 25 25 15948 1 . GLU 26 26 15948 1 . GLY 27 27 15948 1 . GLU 28 28 15948 1 . ASP 29 29 15948 1 . VAL 30 30 15948 1 . ARG 31 31 15948 1 . ARG 32 32 15948 1 . LEU 33 33 15948 1 . PRO 34 34 15948 1 . CYS 35 35 15948 1 . MET 36 36 15948 1 . HIS 37 37 15948 1 . LEU 38 38 15948 1 . PHE 39 39 15948 1 . HIS 40 40 15948 1 . GLN 41 41 15948 1 . VAL 42 42 15948 1 . CYS 43 43 15948 1 . VAL 44 44 15948 1 . ASP 45 45 15948 1 . GLN 46 46 15948 1 . TRP 47 47 15948 1 . LEU 48 48 15948 1 . ILE 49 49 15948 1 . THR 50 50 15948 1 . ASN 51 51 15948 1 . LYS 52 52 15948 1 . LYS 53 53 15948 1 . CYS 54 54 15948 1 . PRO 55 55 15948 1 . ILE 56 56 15948 1 . CYS 57 57 15948 1 . ARG 58 58 15948 1 . VAL 59 59 15948 1 . ASP 60 60 15948 1 . ILE 61 61 15948 1 . GLU 62 62 15948 1 . ALA 63 63 15948 1 . GLN 64 64 15948 1 . LEU 65 65 15948 1 . PRO 66 66 15948 1 . SER 67 67 15948 1 . GLU 68 68 15948 1 . SER 69 69 15948 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 15948 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _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 no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 15948 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 15948 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $E3_ubiquitin_ligase_Arkadia . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 15948 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 15948 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $E3_ubiquitin_ligase_Arkadia . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pGex-4T.1 . . . . . . 15948 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 15948 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _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.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code ZN _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 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _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 ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 21:22:05 2008 ; _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 InChI=1/Zn/q+2 InChI InChI 1.01 15948 ZN [Zn++] SMILES CACTVS 3.341 15948 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 15948 ZN [Zn+2] SMILES ACDLabs 10.04 15948 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 15948 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15948 ZN 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 zinc 'SYSTEMATIC NAME' ACDLabs 10.04 15948 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15948 ZN 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 ZN . ZN . . ZN . N . 2 . . . . no no . . . . . . . . . . . . . . . 15948 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15948 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'E3 ubiquitin ligase Arkadia' '[U-98% 13C; U-98% 15N]' 1 $assembly . . . . 1.0 . . mM 0.2 . . . 15948 1 2 Pi . . . . . . . 50 . . mM . . . . 15948 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 15948 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 15948 1 pH 6.9 0.2 pH 15948 1 pressure 1 . atm 15948 1 temperature 298 0.5 K 15948 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 15948 _Software.ID 1 _Software.Name CARA _Software.Version 1.8.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 15948 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15948 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15948 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details CryoProbe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15948 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 CryoProbe . . 15948 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 15948 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15948 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15948 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15948 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15948 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15948 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15948 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15948 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15948 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15948 1 10 '2D (HB)CB(CGCD)HDarom' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15948 1 11 '2D 2J-edited 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15948 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15948 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15948 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15948 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15948 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15948 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15948 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15948 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15948 1 2 '2D 1H-13C HSQC' . . . 15948 1 3 '3D HN(CO)CA' . . . 15948 1 4 '3D HNCA' . . . 15948 1 5 '3D CBCA(CO)NH' . . . 15948 1 6 '3D HNCACB' . . . 15948 1 7 '3D HNCO' . . . 15948 1 8 '3D HCCH-TOCSY' . . . 15948 1 9 '3D HBHA(CO)NH' . . . 15948 1 10 '2D (HB)CB(CGCD)HDarom' . . . 15948 1 11 '2D 2J-edited 1H-15N HSQC' . . . 15948 1 12 '3D 1H-15N NOESY' . . . 15948 1 13 '3D 1H-13C NOESY' . . . 15948 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CARA . . 15948 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.380 0.020 . 1 . . . . 1 MET HA . 15948 1 2 . 1 1 1 1 MET HB2 H 1 1.907 0.020 . 1 . . . . 1 MET HB2 . 15948 1 3 . 1 1 1 1 MET HB3 H 1 1.907 0.020 . 1 . . . . 1 MET HB3 . 15948 1 4 . 1 1 1 1 MET C C 13 176.094 0.3 . 1 . . . . 1 MET C . 15948 1 5 . 1 1 1 1 MET CA C 13 55.590 0.3 . 1 . . . . 1 MET CA . 15948 1 6 . 1 1 1 1 MET CB C 13 32.129 0.3 . 1 . . . . 1 MET CB . 15948 1 7 . 1 1 2 2 LYS H H 1 8.411 0.020 . 1 . . . . 2 LYS H . 15948 1 8 . 1 1 2 2 LYS HA H 1 4.188 0.020 . 1 . . . . 2 LYS HA . 15948 1 9 . 1 1 2 2 LYS HB2 H 1 1.688 0.020 . 2 . . . . 2 LYS HB2 . 15948 1 10 . 1 1 2 2 LYS HB3 H 1 1.633 0.020 . 2 . . . . 2 LYS HB3 . 15948 1 11 . 1 1 2 2 LYS HD2 H 1 1.541 0.020 . 1 . . . . 2 LYS HD2 . 15948 1 12 . 1 1 2 2 LYS HD3 H 1 1.541 0.020 . 1 . . . . 2 LYS HD3 . 15948 1 13 . 1 1 2 2 LYS HE2 H 1 2.862 0.020 . 1 . . . . 2 LYS HE2 . 15948 1 14 . 1 1 2 2 LYS HE3 H 1 2.862 0.020 . 1 . . . . 2 LYS HE3 . 15948 1 15 . 1 1 2 2 LYS HG2 H 1 1.278 0.020 . 1 . . . . 2 LYS HG2 . 15948 1 16 . 1 1 2 2 LYS HG3 H 1 1.278 0.020 . 1 . . . . 2 LYS HG3 . 15948 1 17 . 1 1 2 2 LYS C C 13 176.533 0.3 . 1 . . . . 2 LYS C . 15948 1 18 . 1 1 2 2 LYS CA C 13 56.333 0.3 . 1 . . . . 2 LYS CA . 15948 1 19 . 1 1 2 2 LYS CB C 13 32.916 0.3 . 1 . . . . 2 LYS CB . 15948 1 20 . 1 1 2 2 LYS CD C 13 29.074 0.3 . 1 . . . . 2 LYS CD . 15948 1 21 . 1 1 2 2 LYS CE C 13 42.182 0.3 . 1 . . . . 2 LYS CE . 15948 1 22 . 1 1 2 2 LYS CG C 13 24.705 0.3 . 1 . . . . 2 LYS CG . 15948 1 23 . 1 1 2 2 LYS N N 15 123.055 0.3 . 1 . . . . 2 LYS N . 15948 1 24 . 1 1 3 3 GLN H H 1 8.572 0.020 . 1 . . . . 3 GLN H . 15948 1 25 . 1 1 3 3 GLN HA H 1 4.200 0.020 . 1 . . . . 3 GLN HA . 15948 1 26 . 1 1 3 3 GLN HB2 H 1 1.886 0.020 . 1 . . . . 3 GLN HB2 . 15948 1 27 . 1 1 3 3 GLN HB3 H 1 1.886 0.020 . 1 . . . . 3 GLN HB3 . 15948 1 28 . 1 1 3 3 GLN HG2 H 1 2.232 0.020 . 1 . . . . 3 GLN HG2 . 15948 1 29 . 1 1 3 3 GLN HG3 H 1 2.232 0.020 . 1 . . . . 3 GLN HG3 . 15948 1 30 . 1 1 3 3 GLN C C 13 175.676 0.3 . 1 . . . . 3 GLN C . 15948 1 31 . 1 1 3 3 GLN CA C 13 55.705 0.3 . 1 . . . . 3 GLN CA . 15948 1 32 . 1 1 3 3 GLN CB C 13 29.325 0.3 . 1 . . . . 3 GLN CB . 15948 1 33 . 1 1 3 3 GLN CG C 13 33.231 0.3 . 1 . . . . 3 GLN CG . 15948 1 34 . 1 1 3 3 GLN N N 15 122.171 0.3 . 1 . . . . 3 GLN N . 15948 1 35 . 1 1 4 4 ASP H H 1 8.441 0.020 . 1 . . . . 4 ASP H . 15948 1 36 . 1 1 4 4 ASP HA H 1 4.449 0.020 . 1 . . . . 4 ASP HA . 15948 1 37 . 1 1 4 4 ASP HB2 H 1 2.548 0.020 . 1 . . . . 4 ASP HB2 . 15948 1 38 . 1 1 4 4 ASP HB3 H 1 2.548 0.020 . 1 . . . . 4 ASP HB3 . 15948 1 39 . 1 1 4 4 ASP C C 13 176.699 0.3 . 1 . . . . 4 ASP C . 15948 1 40 . 1 1 4 4 ASP CA C 13 54.723 0.3 . 1 . . . . 4 ASP CA . 15948 1 41 . 1 1 4 4 ASP CB C 13 40.963 0.3 . 1 . . . . 4 ASP CB . 15948 1 42 . 1 1 4 4 ASP N N 15 121.504 0.3 . 1 . . . . 4 ASP N . 15948 1 43 . 1 1 5 5 GLY H H 1 8.390 0.020 . 1 . . . . 5 GLY H . 15948 1 44 . 1 1 5 5 GLY HA2 H 1 3.842 0.020 . 1 . . . . 5 GLY HA2 . 15948 1 45 . 1 1 5 5 GLY HA3 H 1 3.842 0.020 . 1 . . . . 5 GLY HA3 . 15948 1 46 . 1 1 5 5 GLY C C 13 174.240 0.3 . 1 . . . . 5 GLY C . 15948 1 47 . 1 1 5 5 GLY CA C 13 45.360 0.3 . 1 . . . . 5 GLY CA . 15948 1 48 . 1 1 5 5 GLY N N 15 109.485 0.3 . 1 . . . . 5 GLY N . 15948 1 49 . 1 1 6 6 GLU H H 1 8.207 0.020 . 1 . . . . 6 GLU H . 15948 1 50 . 1 1 6 6 GLU HA H 1 4.188 0.020 . 1 . . . . 6 GLU HA . 15948 1 51 . 1 1 6 6 GLU HB2 H 1 1.951 0.020 . 1 . . . . 6 GLU HB2 . 15948 1 52 . 1 1 6 6 GLU HB3 H 1 1.951 0.020 . 1 . . . . 6 GLU HB3 . 15948 1 53 . 1 1 6 6 GLU HG2 H 1 1.947 0.020 . 1 . . . . 6 GLU HG2 . 15948 1 54 . 1 1 6 6 GLU HG3 H 1 1.947 0.020 . 1 . . . . 6 GLU HG3 . 15948 1 55 . 1 1 6 6 GLU C C 13 176.598 0.3 . 1 . . . . 6 GLU C . 15948 1 56 . 1 1 6 6 GLU CA C 13 56.314 0.3 . 1 . . . . 6 GLU CA . 15948 1 57 . 1 1 6 6 GLU CB C 13 30.305 0.3 . 1 . . . . 6 GLU CB . 15948 1 58 . 1 1 6 6 GLU CG C 13 36.380 0.3 . 1 . . . . 6 GLU CG . 15948 1 59 . 1 1 6 6 GLU N N 15 120.389 0.3 . 1 . . . . 6 GLU N . 15948 1 60 . 1 1 7 7 GLU H H 1 8.622 0.020 . 1 . . . . 7 GLU H . 15948 1 61 . 1 1 7 7 GLU HA H 1 4.176 0.020 . 1 . . . . 7 GLU HA . 15948 1 62 . 1 1 7 7 GLU HB2 H 1 1.877 0.020 . 1 . . . . 7 GLU HB2 . 15948 1 63 . 1 1 7 7 GLU HB3 H 1 1.877 0.020 . 1 . . . . 7 GLU HB3 . 15948 1 64 . 1 1 7 7 GLU HG2 H 1 2.139 0.020 . 1 . . . . 7 GLU HG2 . 15948 1 65 . 1 1 7 7 GLU HG3 H 1 2.139 0.020 . 1 . . . . 7 GLU HG3 . 15948 1 66 . 1 1 7 7 GLU C C 13 177.021 0.3 . 1 . . . . 7 GLU C . 15948 1 67 . 1 1 7 7 GLU CA C 13 56.869 0.3 . 1 . . . . 7 GLU CA . 15948 1 68 . 1 1 7 7 GLU CB C 13 30.144 0.3 . 1 . . . . 7 GLU CB . 15948 1 69 . 1 1 7 7 GLU CG C 13 36.360 0.3 . 1 . . . . 7 GLU CG . 15948 1 70 . 1 1 7 7 GLU N N 15 122.143 0.3 . 1 . . . . 7 GLU N . 15948 1 71 . 1 1 8 8 GLY H H 1 8.526 0.020 . 1 . . . . 8 GLY H . 15948 1 72 . 1 1 8 8 GLY HA2 H 1 3.906 0.020 . 1 . . . . 8 GLY HA2 . 15948 1 73 . 1 1 8 8 GLY HA3 H 1 3.906 0.020 . 1 . . . . 8 GLY HA3 . 15948 1 74 . 1 1 8 8 GLY C C 13 174.240 0.3 . 1 . . . . 8 GLY C . 15948 1 75 . 1 1 8 8 GLY CA C 13 45.273 0.3 . 1 . . . . 8 GLY CA . 15948 1 76 . 1 1 8 8 GLY N N 15 110.257 0.3 . 1 . . . . 8 GLY N . 15948 1 77 . 1 1 9 9 THR H H 1 8.100 0.020 . 1 . . . . 9 THR H . 15948 1 78 . 1 1 9 9 THR HA H 1 4.192 0.020 . 1 . . . . 9 THR HA . 15948 1 79 . 1 1 9 9 THR HB H 1 4.133 0.020 . 1 . . . . 9 THR HB . 15948 1 80 . 1 1 9 9 THR HG21 H 1 1.153 0.020 . 1 . . . . 9 THR HG2 . 15948 1 81 . 1 1 9 9 THR HG22 H 1 1.153 0.020 . 1 . . . . 9 THR HG2 . 15948 1 82 . 1 1 9 9 THR HG23 H 1 1.153 0.020 . 1 . . . . 9 THR HG2 . 15948 1 83 . 1 1 9 9 THR C C 13 174.663 0.3 . 1 . . . . 9 THR C . 15948 1 84 . 1 1 9 9 THR CA C 13 61.560 0.3 . 1 . . . . 9 THR CA . 15948 1 85 . 1 1 9 9 THR CB C 13 69.920 0.3 . 1 . . . . 9 THR CB . 15948 1 86 . 1 1 9 9 THR CG2 C 13 21.601 0.3 . 1 . . . . 9 THR CG2 . 15948 1 87 . 1 1 9 9 THR N N 15 113.245 0.3 . 1 . . . . 9 THR N . 15948 1 88 . 1 1 10 10 GLU H H 1 8.603 0.020 . 1 . . . . 10 GLU H . 15948 1 89 . 1 1 10 10 GLU HA H 1 4.267 0.020 . 1 . . . . 10 GLU HA . 15948 1 90 . 1 1 10 10 GLU HB2 H 1 1.825 0.020 . 1 . . . . 10 GLU HB2 . 15948 1 91 . 1 1 10 10 GLU HB3 H 1 1.825 0.020 . 1 . . . . 10 GLU HB3 . 15948 1 92 . 1 1 10 10 GLU HG2 H 1 2.145 0.020 . 1 . . . . 10 GLU HG2 . 15948 1 93 . 1 1 10 10 GLU HG3 H 1 2.145 0.020 . 1 . . . . 10 GLU HG3 . 15948 1 94 . 1 1 10 10 GLU CA C 13 56.605 0.3 . 1 . . . . 10 GLU CA . 15948 1 95 . 1 1 10 10 GLU CB C 13 30.081 0.3 . 1 . . . . 10 GLU CB . 15948 1 96 . 1 1 10 10 GLU CG C 13 36.367 0.3 . 1 . . . . 10 GLU CG . 15948 1 97 . 1 1 10 10 GLU N N 15 123.301 0.3 . 1 . . . . 10 GLU N . 15948 1 98 . 1 1 11 11 GLU HA H 1 4.158 0.020 . 1 . . . . 11 GLU HA . 15948 1 99 . 1 1 11 11 GLU HB2 H 1 1.849 0.020 . 1 . . . . 11 GLU HB2 . 15948 1 100 . 1 1 11 11 GLU HB3 H 1 1.849 0.020 . 1 . . . . 11 GLU HB3 . 15948 1 101 . 1 1 11 11 GLU HG2 H 1 2.137 0.020 . 1 . . . . 11 GLU HG2 . 15948 1 102 . 1 1 11 11 GLU HG3 H 1 2.137 0.020 . 1 . . . . 11 GLU HG3 . 15948 1 103 . 1 1 11 11 GLU C C 13 176.130 0.3 . 1 . . . . 11 GLU C . 15948 1 104 . 1 1 11 11 GLU CA C 13 56.483 0.3 . 1 . . . . 11 GLU CA . 15948 1 105 . 1 1 11 11 GLU CB C 13 30.338 0.3 . 1 . . . . 11 GLU CB . 15948 1 106 . 1 1 11 11 GLU CG C 13 36.373 0.3 . 1 . . . . 11 GLU CG . 15948 1 107 . 1 1 12 12 ASP H H 1 8.456 0.020 . 1 . . . . 12 ASP H . 15948 1 108 . 1 1 12 12 ASP HA H 1 4.555 0.020 . 1 . . . . 12 ASP HA . 15948 1 109 . 1 1 12 12 ASP HB2 H 1 2.509 0.020 . 1 . . . . 12 ASP HB2 . 15948 1 110 . 1 1 12 12 ASP HB3 H 1 2.509 0.020 . 1 . . . . 12 ASP HB3 . 15948 1 111 . 1 1 12 12 ASP C C 13 176.416 0.3 . 1 . . . . 12 ASP C . 15948 1 112 . 1 1 12 12 ASP CA C 13 54.237 0.3 . 1 . . . . 12 ASP CA . 15948 1 113 . 1 1 12 12 ASP CB C 13 41.061 0.3 . 1 . . . . 12 ASP CB . 15948 1 114 . 1 1 12 12 ASP N N 15 121.997 0.3 . 1 . . . . 12 ASP N . 15948 1 115 . 1 1 13 13 THR H H 1 8.170 0.020 . 1 . . . . 13 THR H . 15948 1 116 . 1 1 13 13 THR HA H 1 4.136 0.020 . 1 . . . . 13 THR HA . 15948 1 117 . 1 1 13 13 THR HB H 1 4.133 0.020 . 1 . . . . 13 THR HB . 15948 1 118 . 1 1 13 13 THR HG21 H 1 1.153 0.020 . 1 . . . . 13 THR HG2 . 15948 1 119 . 1 1 13 13 THR HG22 H 1 1.153 0.020 . 1 . . . . 13 THR HG2 . 15948 1 120 . 1 1 13 13 THR HG23 H 1 1.153 0.020 . 1 . . . . 13 THR HG2 . 15948 1 121 . 1 1 13 13 THR C C 13 174.510 0.3 . 1 . . . . 13 THR C . 15948 1 122 . 1 1 13 13 THR CA C 13 61.696 0.3 . 1 . . . . 13 THR CA . 15948 1 123 . 1 1 13 13 THR CB C 13 69.634 0.3 . 1 . . . . 13 THR CB . 15948 1 124 . 1 1 13 13 THR CG2 C 13 21.715 0.3 . 1 . . . . 13 THR CG2 . 15948 1 125 . 1 1 13 13 THR N N 15 114.262 0.3 . 1 . . . . 13 THR N . 15948 1 126 . 1 1 14 14 GLU H H 1 8.346 0.020 . 1 . . . . 14 GLU H . 15948 1 127 . 1 1 14 14 GLU HA H 1 4.165 0.020 . 1 . . . . 14 GLU HA . 15948 1 128 . 1 1 14 14 GLU HB2 H 1 1.815 0.020 . 1 . . . . 14 GLU HB2 . 15948 1 129 . 1 1 14 14 GLU HB3 H 1 1.815 0.020 . 1 . . . . 14 GLU HB3 . 15948 1 130 . 1 1 14 14 GLU HG2 H 1 2.127 0.020 . 1 . . . . 14 GLU HG2 . 15948 1 131 . 1 1 14 14 GLU HG3 H 1 2.127 0.020 . 1 . . . . 14 GLU HG3 . 15948 1 132 . 1 1 14 14 GLU C C 13 175.878 0.3 . 1 . . . . 14 GLU C . 15948 1 133 . 1 1 14 14 GLU CA C 13 56.336 0.3 . 1 . . . . 14 GLU CA . 15948 1 134 . 1 1 14 14 GLU CB C 13 30.288 0.3 . 1 . . . . 14 GLU CB . 15948 1 135 . 1 1 14 14 GLU CG C 13 36.382 0.3 . 1 . . . . 14 GLU CG . 15948 1 136 . 1 1 14 14 GLU N N 15 122.877 0.3 . 1 . . . . 14 GLU N . 15948 1 137 . 1 1 15 15 GLU H H 1 8.552 0.020 . 1 . . . . 15 GLU H . 15948 1 138 . 1 1 15 15 GLU HA H 1 4.180 0.020 . 1 . . . . 15 GLU HA . 15948 1 139 . 1 1 15 15 GLU HB2 H 1 1.797 0.020 . 1 . . . . 15 GLU HB2 . 15948 1 140 . 1 1 15 15 GLU HB3 H 1 1.797 0.020 . 1 . . . . 15 GLU HB3 . 15948 1 141 . 1 1 15 15 GLU HG2 H 1 2.091 0.020 . 1 . . . . 15 GLU HG2 . 15948 1 142 . 1 1 15 15 GLU HG3 H 1 2.091 0.020 . 1 . . . . 15 GLU HG3 . 15948 1 143 . 1 1 15 15 GLU C C 13 175.306 0.3 . 1 . . . . 15 GLU C . 15948 1 144 . 1 1 15 15 GLU CA C 13 56.381 0.3 . 1 . . . . 15 GLU CA . 15948 1 145 . 1 1 15 15 GLU CB C 13 30.697 0.3 . 1 . . . . 15 GLU CB . 15948 1 146 . 1 1 15 15 GLU CG C 13 36.336 0.3 . 1 . . . . 15 GLU CG . 15948 1 147 . 1 1 15 15 GLU N N 15 122.703 0.3 . 1 . . . . 15 GLU N . 15948 1 148 . 1 1 16 16 LYS H H 1 8.204 0.020 . 1 . . . . 16 LYS H . 15948 1 149 . 1 1 16 16 LYS HA H 1 4.443 0.020 . 1 . . . . 16 LYS HA . 15948 1 150 . 1 1 16 16 LYS HB2 H 1 1.261 0.020 . 1 . . . . 16 LYS HB2 . 15948 1 151 . 1 1 16 16 LYS HB3 H 1 1.261 0.020 . 1 . . . . 16 LYS HB3 . 15948 1 152 . 1 1 16 16 LYS HD2 H 1 1.335 0.020 . 1 . . . . 16 LYS HD2 . 15948 1 153 . 1 1 16 16 LYS HD3 H 1 1.335 0.020 . 1 . . . . 16 LYS HD3 . 15948 1 154 . 1 1 16 16 LYS HE2 H 1 2.711 0.020 . 1 . . . . 16 LYS HE2 . 15948 1 155 . 1 1 16 16 LYS HE3 H 1 2.711 0.020 . 1 . . . . 16 LYS HE3 . 15948 1 156 . 1 1 16 16 LYS HG2 H 1 1.059 0.020 . 2 . . . . 16 LYS HG2 . 15948 1 157 . 1 1 16 16 LYS HG3 H 1 0.909 0.020 . 2 . . . . 16 LYS HG3 . 15948 1 158 . 1 1 16 16 LYS C C 13 175.131 0.3 . 1 . . . . 16 LYS C . 15948 1 159 . 1 1 16 16 LYS CA C 13 54.542 0.3 . 1 . . . . 16 LYS CA . 15948 1 160 . 1 1 16 16 LYS CB C 13 35.183 0.3 . 1 . . . . 16 LYS CB . 15948 1 161 . 1 1 16 16 LYS CD C 13 29.289 0.3 . 1 . . . . 16 LYS CD . 15948 1 162 . 1 1 16 16 LYS CE C 13 41.992 0.3 . 1 . . . . 16 LYS CE . 15948 1 163 . 1 1 16 16 LYS CG C 13 24.943 0.3 . 1 . . . . 16 LYS CG . 15948 1 164 . 1 1 16 16 LYS N N 15 120.212 0.3 . 1 . . . . 16 LYS N . 15948 1 165 . 1 1 17 17 CYS H H 1 8.386 0.020 . 1 . . . . 17 CYS H . 15948 1 166 . 1 1 17 17 CYS HA H 1 4.345 0.020 . 1 . . . . 17 CYS HA . 15948 1 167 . 1 1 17 17 CYS HB2 H 1 3.434 0.020 . 2 . . . . 17 CYS HB2 . 15948 1 168 . 1 1 17 17 CYS HB3 H 1 2.208 0.020 . 2 . . . . 17 CYS HB3 . 15948 1 169 . 1 1 17 17 CYS C C 13 177.508 0.3 . 1 . . . . 17 CYS C . 15948 1 170 . 1 1 17 17 CYS CA C 13 58.469 0.3 . 1 . . . . 17 CYS CA . 15948 1 171 . 1 1 17 17 CYS CB C 13 31.254 0.3 . 1 . . . . 17 CYS CB . 15948 1 172 . 1 1 17 17 CYS N N 15 124.607 0.3 . 1 . . . . 17 CYS N . 15948 1 173 . 1 1 18 18 THR H H 1 8.971 0.020 . 1 . . . . 18 THR H . 15948 1 174 . 1 1 18 18 THR HA H 1 3.857 0.020 . 1 . . . . 18 THR HA . 15948 1 175 . 1 1 18 18 THR HB H 1 4.050 0.020 . 1 . . . . 18 THR HB . 15948 1 176 . 1 1 18 18 THR HG21 H 1 1.050 0.020 . 1 . . . . 18 THR HG2 . 15948 1 177 . 1 1 18 18 THR HG22 H 1 1.050 0.020 . 1 . . . . 18 THR HG2 . 15948 1 178 . 1 1 18 18 THR HG23 H 1 1.050 0.020 . 1 . . . . 18 THR HG2 . 15948 1 179 . 1 1 18 18 THR C C 13 174.171 0.3 . 1 . . . . 18 THR C . 15948 1 180 . 1 1 18 18 THR CA C 13 65.333 0.3 . 1 . . . . 18 THR CA . 15948 1 181 . 1 1 18 18 THR CB C 13 68.464 0.3 . 1 . . . . 18 THR CB . 15948 1 182 . 1 1 18 18 THR CG2 C 13 22.003 0.3 . 1 . . . . 18 THR CG2 . 15948 1 183 . 1 1 18 18 THR N N 15 122.470 0.3 . 1 . . . . 18 THR N . 15948 1 184 . 1 1 19 19 ILE H H 1 8.165 0.020 . 1 . . . . 19 ILE H . 15948 1 185 . 1 1 19 19 ILE HA H 1 3.746 0.020 . 1 . . . . 19 ILE HA . 15948 1 186 . 1 1 19 19 ILE HB H 1 1.708 0.020 . 1 . . . . 19 ILE HB . 15948 1 187 . 1 1 19 19 ILE HD11 H 1 0.098 0.020 . 1 . . . . 19 ILE HD1 . 15948 1 188 . 1 1 19 19 ILE HD12 H 1 0.098 0.020 . 1 . . . . 19 ILE HD1 . 15948 1 189 . 1 1 19 19 ILE HD13 H 1 0.098 0.020 . 1 . . . . 19 ILE HD1 . 15948 1 190 . 1 1 19 19 ILE HG12 H 1 0.273 0.020 . 1 . . . . 19 ILE HG12 . 15948 1 191 . 1 1 19 19 ILE HG13 H 1 0.273 0.020 . 1 . . . . 19 ILE HG13 . 15948 1 192 . 1 1 19 19 ILE HG21 H 1 0.924 0.020 . 1 . . . . 19 ILE HG2 . 15948 1 193 . 1 1 19 19 ILE HG22 H 1 0.924 0.020 . 1 . . . . 19 ILE HG2 . 15948 1 194 . 1 1 19 19 ILE HG23 H 1 0.924 0.020 . 1 . . . . 19 ILE HG2 . 15948 1 195 . 1 1 19 19 ILE C C 13 176.309 0.3 . 1 . . . . 19 ILE C . 15948 1 196 . 1 1 19 19 ILE CA C 13 64.557 0.3 . 1 . . . . 19 ILE CA . 15948 1 197 . 1 1 19 19 ILE CB C 13 38.495 0.3 . 1 . . . . 19 ILE CB . 15948 1 198 . 1 1 19 19 ILE CD1 C 13 13.030 0.3 . 1 . . . . 19 ILE CD1 . 15948 1 199 . 1 1 19 19 ILE CG1 C 13 28.301 0.3 . 1 . . . . 19 ILE CG1 . 15948 1 200 . 1 1 19 19 ILE CG2 C 13 16.758 0.3 . 1 . . . . 19 ILE CG2 . 15948 1 201 . 1 1 19 19 ILE N N 15 120.855 0.3 . 1 . . . . 19 ILE N . 15948 1 202 . 1 1 20 20 CYS H H 1 7.609 0.020 . 1 . . . . 20 CYS H . 15948 1 203 . 1 1 20 20 CYS HA H 1 4.789 0.020 . 1 . . . . 20 CYS HA . 15948 1 204 . 1 1 20 20 CYS HB2 H 1 3.192 0.020 . 2 . . . . 20 CYS HB2 . 15948 1 205 . 1 1 20 20 CYS HB3 H 1 3.042 0.020 . 2 . . . . 20 CYS HB3 . 15948 1 206 . 1 1 20 20 CYS C C 13 176.159 0.3 . 1 . . . . 20 CYS C . 15948 1 207 . 1 1 20 20 CYS CA C 13 58.326 0.3 . 1 . . . . 20 CYS CA . 15948 1 208 . 1 1 20 20 CYS CB C 13 31.458 0.3 . 1 . . . . 20 CYS CB . 15948 1 209 . 1 1 20 20 CYS N N 15 115.742 0.3 . 1 . . . . 20 CYS N . 15948 1 210 . 1 1 21 21 LEU H H 1 8.317 0.020 . 1 . . . . 21 LEU H . 15948 1 211 . 1 1 21 21 LEU HA H 1 3.880 0.020 . 1 . . . . 21 LEU HA . 15948 1 212 . 1 1 21 21 LEU HB2 H 1 2.050 0.020 . 2 . . . . 21 LEU HB2 . 15948 1 213 . 1 1 21 21 LEU HB3 H 1 1.572 0.020 . 2 . . . . 21 LEU HB3 . 15948 1 214 . 1 1 21 21 LEU HD11 H 1 0.782 0.020 . 1 . . . . 21 LEU HD1 . 15948 1 215 . 1 1 21 21 LEU HD12 H 1 0.782 0.020 . 1 . . . . 21 LEU HD1 . 15948 1 216 . 1 1 21 21 LEU HD13 H 1 0.782 0.020 . 1 . . . . 21 LEU HD1 . 15948 1 217 . 1 1 21 21 LEU HD21 H 1 0.705 0.020 . 1 . . . . 21 LEU HD2 . 15948 1 218 . 1 1 21 21 LEU HD22 H 1 0.705 0.020 . 1 . . . . 21 LEU HD2 . 15948 1 219 . 1 1 21 21 LEU HD23 H 1 0.705 0.020 . 1 . . . . 21 LEU HD2 . 15948 1 220 . 1 1 21 21 LEU HG H 1 1.337 0.020 . 1 . . . . 21 LEU HG . 15948 1 221 . 1 1 21 21 LEU C C 13 175.838 0.3 . 1 . . . . 21 LEU C . 15948 1 222 . 1 1 21 21 LEU CA C 13 56.904 0.3 . 1 . . . . 21 LEU CA . 15948 1 223 . 1 1 21 21 LEU CB C 13 38.286 0.3 . 1 . . . . 21 LEU CB . 15948 1 224 . 1 1 21 21 LEU CD1 C 13 25.163 0.3 . 1 . . . . 21 LEU CD1 . 15948 1 225 . 1 1 21 21 LEU CD2 C 13 23.159 0.3 . 1 . . . . 21 LEU CD2 . 15948 1 226 . 1 1 21 21 LEU CG C 13 27.215 0.3 . 1 . . . . 21 LEU CG . 15948 1 227 . 1 1 21 21 LEU N N 15 120.325 0.3 . 1 . . . . 21 LEU N . 15948 1 228 . 1 1 22 22 SER H H 1 8.546 0.020 . 1 . . . . 22 SER H . 15948 1 229 . 1 1 22 22 SER HA H 1 3.950 0.020 . 1 . . . . 22 SER HA . 15948 1 230 . 1 1 22 22 SER HB2 H 1 4.780 0.020 . 1 . . . . 22 SER HB2 . 15948 1 231 . 1 1 22 22 SER HB3 H 1 4.780 0.020 . 1 . . . . 22 SER HB3 . 15948 1 232 . 1 1 22 22 SER C C 13 173.588 0.3 . 1 . . . . 22 SER C . 15948 1 233 . 1 1 22 22 SER CA C 13 57.973 0.3 . 1 . . . . 22 SER CA . 15948 1 234 . 1 1 22 22 SER CB C 13 64.677 0.3 . 1 . . . . 22 SER CB . 15948 1 235 . 1 1 22 22 SER N N 15 116.313 0.3 . 1 . . . . 22 SER N . 15948 1 236 . 1 1 23 23 ILE H H 1 8.357 0.020 . 1 . . . . 23 ILE H . 15948 1 237 . 1 1 23 23 ILE HA H 1 3.916 0.020 . 1 . . . . 23 ILE HA . 15948 1 238 . 1 1 23 23 ILE HB H 1 1.713 0.020 . 1 . . . . 23 ILE HB . 15948 1 239 . 1 1 23 23 ILE HD11 H 1 0.710 0.020 . 1 . . . . 23 ILE HD1 . 15948 1 240 . 1 1 23 23 ILE HD12 H 1 0.710 0.020 . 1 . . . . 23 ILE HD1 . 15948 1 241 . 1 1 23 23 ILE HD13 H 1 0.710 0.020 . 1 . . . . 23 ILE HD1 . 15948 1 242 . 1 1 23 23 ILE HG12 H 1 1.411 0.020 . 2 . . . . 23 ILE HG12 . 15948 1 243 . 1 1 23 23 ILE HG13 H 1 1.034 0.020 . 2 . . . . 23 ILE HG13 . 15948 1 244 . 1 1 23 23 ILE HG21 H 1 0.759 0.020 . 1 . . . . 23 ILE HG2 . 15948 1 245 . 1 1 23 23 ILE HG22 H 1 0.759 0.020 . 1 . . . . 23 ILE HG2 . 15948 1 246 . 1 1 23 23 ILE HG23 H 1 0.759 0.020 . 1 . . . . 23 ILE HG2 . 15948 1 247 . 1 1 23 23 ILE C C 13 175.409 0.3 . 1 . . . . 23 ILE C . 15948 1 248 . 1 1 23 23 ILE CA C 13 61.941 0.3 . 1 . . . . 23 ILE CA . 15948 1 249 . 1 1 23 23 ILE CB C 13 38.827 0.3 . 1 . . . . 23 ILE CB . 15948 1 250 . 1 1 23 23 ILE CD1 C 13 13.305 0.3 . 1 . . . . 23 ILE CD1 . 15948 1 251 . 1 1 23 23 ILE CG1 C 13 28.185 0.3 . 1 . . . . 23 ILE CG1 . 15948 1 252 . 1 1 23 23 ILE CG2 C 13 17.752 0.3 . 1 . . . . 23 ILE CG2 . 15948 1 253 . 1 1 23 23 ILE N N 15 121.751 0.3 . 1 . . . . 23 ILE N . 15948 1 254 . 1 1 24 24 LEU H H 1 7.999 0.020 . 1 . . . . 24 LEU H . 15948 1 255 . 1 1 24 24 LEU HA H 1 4.148 0.020 . 1 . . . . 24 LEU HA . 15948 1 256 . 1 1 24 24 LEU HB2 H 1 1.341 0.020 . 2 . . . . 24 LEU HB2 . 15948 1 257 . 1 1 24 24 LEU HB3 H 1 0.954 0.020 . 2 . . . . 24 LEU HB3 . 15948 1 258 . 1 1 24 24 LEU HD11 H 1 -0.069 0.020 . 1 . . . . 24 LEU HD1 . 15948 1 259 . 1 1 24 24 LEU HD12 H 1 -0.069 0.020 . 1 . . . . 24 LEU HD1 . 15948 1 260 . 1 1 24 24 LEU HD13 H 1 -0.069 0.020 . 1 . . . . 24 LEU HD1 . 15948 1 261 . 1 1 24 24 LEU HD21 H 1 -0.069 0.020 . 1 . . . . 24 LEU HD2 . 15948 1 262 . 1 1 24 24 LEU HD22 H 1 -0.069 0.020 . 1 . . . . 24 LEU HD2 . 15948 1 263 . 1 1 24 24 LEU HD23 H 1 -0.069 0.020 . 1 . . . . 24 LEU HD2 . 15948 1 264 . 1 1 24 24 LEU HG H 1 1.023 0.020 . 1 . . . . 24 LEU HG . 15948 1 265 . 1 1 24 24 LEU C C 13 175.645 0.3 . 1 . . . . 24 LEU C . 15948 1 266 . 1 1 24 24 LEU CA C 13 53.974 0.3 . 1 . . . . 24 LEU CA . 15948 1 267 . 1 1 24 24 LEU CB C 13 41.149 0.3 . 1 . . . . 24 LEU CB . 15948 1 268 . 1 1 24 24 LEU CD1 C 13 23.799 0.3 . 1 . . . . 24 LEU CD1 . 15948 1 269 . 1 1 24 24 LEU CG C 13 26.233 0.3 . 1 . . . . 24 LEU CG . 15948 1 270 . 1 1 24 24 LEU N N 15 125.753 0.3 . 1 . . . . 24 LEU N . 15948 1 271 . 1 1 25 25 GLU H H 1 8.972 0.020 . 1 . . . . 25 GLU H . 15948 1 272 . 1 1 25 25 GLU HA H 1 4.336 0.020 . 1 . . . . 25 GLU HA . 15948 1 273 . 1 1 25 25 GLU HB2 H 1 1.904 0.020 . 2 . . . . 25 GLU HB2 . 15948 1 274 . 1 1 25 25 GLU HB3 H 1 1.627 0.020 . 2 . . . . 25 GLU HB3 . 15948 1 275 . 1 1 25 25 GLU HG2 H 1 2.181 0.020 . 2 . . . . 25 GLU HG2 . 15948 1 276 . 1 1 25 25 GLU HG3 H 1 2.075 0.020 . 2 . . . . 25 GLU HG3 . 15948 1 277 . 1 1 25 25 GLU C C 13 176.930 0.3 . 1 . . . . 25 GLU C . 15948 1 278 . 1 1 25 25 GLU CA C 13 54.979 0.3 . 1 . . . . 25 GLU CA . 15948 1 279 . 1 1 25 25 GLU CB C 13 31.371 0.3 . 1 . . . . 25 GLU CB . 15948 1 280 . 1 1 25 25 GLU CG C 13 36.201 0.3 . 1 . . . . 25 GLU CG . 15948 1 281 . 1 1 25 25 GLU N N 15 125.791 0.3 . 1 . . . . 25 GLU N . 15948 1 282 . 1 1 26 26 GLU H H 1 8.792 0.020 . 1 . . . . 26 GLU H . 15948 1 283 . 1 1 26 26 GLU HA H 1 3.933 0.020 . 1 . . . . 26 GLU HA . 15948 1 284 . 1 1 26 26 GLU HB2 H 1 1.860 0.020 . 1 . . . . 26 GLU HB2 . 15948 1 285 . 1 1 26 26 GLU HB3 H 1 1.860 0.020 . 1 . . . . 26 GLU HB3 . 15948 1 286 . 1 1 26 26 GLU HG2 H 1 2.148 0.020 . 1 . . . . 26 GLU HG2 . 15948 1 287 . 1 1 26 26 GLU HG3 H 1 2.148 0.020 . 1 . . . . 26 GLU HG3 . 15948 1 288 . 1 1 26 26 GLU C C 13 177.422 0.3 . 1 . . . . 26 GLU C . 15948 1 289 . 1 1 26 26 GLU CA C 13 58.232 0.3 . 1 . . . . 26 GLU CA . 15948 1 290 . 1 1 26 26 GLU CB C 13 29.236 0.3 . 1 . . . . 26 GLU CB . 15948 1 291 . 1 1 26 26 GLU CG C 13 36.084 0.3 . 1 . . . . 26 GLU CG . 15948 1 292 . 1 1 26 26 GLU N N 15 123.744 0.3 . 1 . . . . 26 GLU N . 15948 1 293 . 1 1 27 27 GLY H H 1 8.748 0.020 . 1 . . . . 27 GLY H . 15948 1 294 . 1 1 27 27 GLY HA2 H 1 4.140 0.020 . 2 . . . . 27 GLY HA2 . 15948 1 295 . 1 1 27 27 GLY HA3 H 1 3.663 0.020 . 2 . . . . 27 GLY HA3 . 15948 1 296 . 1 1 27 27 GLY C C 13 174.917 0.3 . 1 . . . . 27 GLY C . 15948 1 297 . 1 1 27 27 GLY CA C 13 45.122 0.3 . 1 . . . . 27 GLY CA . 15948 1 298 . 1 1 27 27 GLY N N 15 112.993 0.3 . 1 . . . . 27 GLY N . 15948 1 299 . 1 1 28 28 GLU H H 1 7.720 0.020 . 1 . . . . 28 GLU H . 15948 1 300 . 1 1 28 28 GLU HA H 1 4.273 0.020 . 1 . . . . 28 GLU HA . 15948 1 301 . 1 1 28 28 GLU HB2 H 1 2.224 0.020 . 2 . . . . 28 GLU HB2 . 15948 1 302 . 1 1 28 28 GLU HB3 H 1 1.867 0.020 . 2 . . . . 28 GLU HB3 . 15948 1 303 . 1 1 28 28 GLU HG2 H 1 2.146 0.020 . 1 . . . . 28 GLU HG2 . 15948 1 304 . 1 1 28 28 GLU HG3 H 1 2.146 0.020 . 1 . . . . 28 GLU HG3 . 15948 1 305 . 1 1 28 28 GLU C C 13 176.352 0.3 . 1 . . . . 28 GLU C . 15948 1 306 . 1 1 28 28 GLU CA C 13 56.346 0.3 . 1 . . . . 28 GLU CA . 15948 1 307 . 1 1 28 28 GLU CB C 13 30.955 0.3 . 1 . . . . 28 GLU CB . 15948 1 308 . 1 1 28 28 GLU CG C 13 36.317 0.3 . 1 . . . . 28 GLU CG . 15948 1 309 . 1 1 28 28 GLU N N 15 119.135 0.3 . 1 . . . . 28 GLU N . 15948 1 310 . 1 1 29 29 ASP H H 1 8.893 0.020 . 1 . . . . 29 ASP H . 15948 1 311 . 1 1 29 29 ASP HA H 1 4.717 0.020 . 1 . . . . 29 ASP HA . 15948 1 312 . 1 1 29 29 ASP HB2 H 1 2.637 0.020 . 1 . . . . 29 ASP HB2 . 15948 1 313 . 1 1 29 29 ASP HB3 H 1 2.637 0.020 . 1 . . . . 29 ASP HB3 . 15948 1 314 . 1 1 29 29 ASP C C 13 176.609 0.3 . 1 . . . . 29 ASP C . 15948 1 315 . 1 1 29 29 ASP CA C 13 54.772 0.3 . 1 . . . . 29 ASP CA . 15948 1 316 . 1 1 29 29 ASP CB C 13 40.204 0.3 . 1 . . . . 29 ASP CB . 15948 1 317 . 1 1 29 29 ASP N N 15 121.351 0.3 . 1 . . . . 29 ASP N . 15948 1 318 . 1 1 30 30 VAL H H 1 8.601 0.020 . 1 . . . . 30 VAL H . 15948 1 319 . 1 1 30 30 VAL HA H 1 4.802 0.020 . 1 . . . . 30 VAL HA . 15948 1 320 . 1 1 30 30 VAL HB H 1 1.895 0.020 . 1 . . . . 30 VAL HB . 15948 1 321 . 1 1 30 30 VAL HG11 H 1 0.671 0.020 . 1 . . . . 30 VAL HG1 . 15948 1 322 . 1 1 30 30 VAL HG12 H 1 0.671 0.020 . 1 . . . . 30 VAL HG1 . 15948 1 323 . 1 1 30 30 VAL HG13 H 1 0.671 0.020 . 1 . . . . 30 VAL HG1 . 15948 1 324 . 1 1 30 30 VAL HG21 H 1 0.752 0.020 . 1 . . . . 30 VAL HG2 . 15948 1 325 . 1 1 30 30 VAL HG22 H 1 0.752 0.020 . 1 . . . . 30 VAL HG2 . 15948 1 326 . 1 1 30 30 VAL HG23 H 1 0.752 0.020 . 1 . . . . 30 VAL HG2 . 15948 1 327 . 1 1 30 30 VAL C C 13 174.403 0.3 . 1 . . . . 30 VAL C . 15948 1 328 . 1 1 30 30 VAL CA C 13 60.325 0.3 . 1 . . . . 30 VAL CA . 15948 1 329 . 1 1 30 30 VAL CB C 13 35.187 0.3 . 1 . . . . 30 VAL CB . 15948 1 330 . 1 1 30 30 VAL CG1 C 13 22.168 0.3 . 1 . . . . 30 VAL CG1 . 15948 1 331 . 1 1 30 30 VAL CG2 C 13 18.785 0.3 . 1 . . . . 30 VAL CG2 . 15948 1 332 . 1 1 30 30 VAL N N 15 121.893 0.3 . 1 . . . . 30 VAL N . 15948 1 333 . 1 1 31 31 ARG H H 1 9.086 0.020 . 1 . . . . 31 ARG H . 15948 1 334 . 1 1 31 31 ARG HA H 1 4.488 0.020 . 1 . . . . 31 ARG HA . 15948 1 335 . 1 1 31 31 ARG HB2 H 1 1.547 0.020 . 2 . . . . 31 ARG HB2 . 15948 1 336 . 1 1 31 31 ARG HB3 H 1 1.466 0.020 . 2 . . . . 31 ARG HB3 . 15948 1 337 . 1 1 31 31 ARG HD2 H 1 3.084 0.020 . 2 . . . . 31 ARG HD2 . 15948 1 338 . 1 1 31 31 ARG HD3 H 1 2.993 0.020 . 2 . . . . 31 ARG HD3 . 15948 1 339 . 1 1 31 31 ARG HG2 H 1 1.287 0.020 . 1 . . . . 31 ARG HG2 . 15948 1 340 . 1 1 31 31 ARG HG3 H 1 1.287 0.020 . 1 . . . . 31 ARG HG3 . 15948 1 341 . 1 1 31 31 ARG C C 13 172.883 0.3 . 1 . . . . 31 ARG C . 15948 1 342 . 1 1 31 31 ARG CA C 13 54.792 0.3 . 1 . . . . 31 ARG CA . 15948 1 343 . 1 1 31 31 ARG CB C 13 33.453 0.3 . 1 . . . . 31 ARG CB . 15948 1 344 . 1 1 31 31 ARG CD C 13 43.063 0.3 . 1 . . . . 31 ARG CD . 15948 1 345 . 1 1 31 31 ARG CG C 13 27.151 0.3 . 1 . . . . 31 ARG CG . 15948 1 346 . 1 1 31 31 ARG N N 15 123.083 0.3 . 1 . . . . 31 ARG N . 15948 1 347 . 1 1 32 32 ARG H H 1 8.878 0.020 . 1 . . . . 32 ARG H . 15948 1 348 . 1 1 32 32 ARG HA H 1 4.908 0.020 . 1 . . . . 32 ARG HA . 15948 1 349 . 1 1 32 32 ARG HB2 H 1 1.666 0.020 . 2 . . . . 32 ARG HB2 . 15948 1 350 . 1 1 32 32 ARG HB3 H 1 1.480 0.020 . 2 . . . . 32 ARG HB3 . 15948 1 351 . 1 1 32 32 ARG HD2 H 1 3.077 0.020 . 2 . . . . 32 ARG HD2 . 15948 1 352 . 1 1 32 32 ARG HD3 H 1 2.978 0.020 . 2 . . . . 32 ARG HD3 . 15948 1 353 . 1 1 32 32 ARG HG2 H 1 1.214 0.020 . 1 . . . . 32 ARG HG2 . 15948 1 354 . 1 1 32 32 ARG HG3 H 1 1.214 0.020 . 1 . . . . 32 ARG HG3 . 15948 1 355 . 1 1 32 32 ARG C C 13 176.887 0.3 . 1 . . . . 32 ARG C . 15948 1 356 . 1 1 32 32 ARG CA C 13 54.287 0.3 . 1 . . . . 32 ARG CA . 15948 1 357 . 1 1 32 32 ARG CB C 13 31.558 0.3 . 1 . . . . 32 ARG CB . 15948 1 358 . 1 1 32 32 ARG CD C 13 43.621 0.3 . 1 . . . . 32 ARG CD . 15948 1 359 . 1 1 32 32 ARG CG C 13 27.932 0.3 . 1 . . . . 32 ARG CG . 15948 1 360 . 1 1 32 32 ARG N N 15 127.947 0.3 . 1 . . . . 32 ARG N . 15948 1 361 . 1 1 33 33 LEU H H 1 8.812 0.020 . 1 . . . . 33 LEU H . 15948 1 362 . 1 1 33 33 LEU HA H 1 4.637 0.020 . 1 . . . . 33 LEU HA . 15948 1 363 . 1 1 33 33 LEU HB2 H 1 2.420 0.020 . 2 . . . . 33 LEU HB2 . 15948 1 364 . 1 1 33 33 LEU HB3 H 1 1.889 0.020 . 2 . . . . 33 LEU HB3 . 15948 1 365 . 1 1 33 33 LEU HD11 H 1 1.022 0.020 . 1 . . . . 33 LEU HD1 . 15948 1 366 . 1 1 33 33 LEU HD12 H 1 1.022 0.020 . 1 . . . . 33 LEU HD1 . 15948 1 367 . 1 1 33 33 LEU HD13 H 1 1.022 0.020 . 1 . . . . 33 LEU HD1 . 15948 1 368 . 1 1 33 33 LEU HD21 H 1 0.817 0.020 . 1 . . . . 33 LEU HD2 . 15948 1 369 . 1 1 33 33 LEU HD22 H 1 0.817 0.020 . 1 . . . . 33 LEU HD2 . 15948 1 370 . 1 1 33 33 LEU HD23 H 1 0.817 0.020 . 1 . . . . 33 LEU HD2 . 15948 1 371 . 1 1 33 33 LEU HG H 1 1.961 0.020 . 1 . . . . 33 LEU HG . 15948 1 372 . 1 1 33 33 LEU CA C 13 54.030 0.3 . 1 . . . . 33 LEU CA . 15948 1 373 . 1 1 33 33 LEU CB C 13 41.107 0.3 . 1 . . . . 33 LEU CB . 15948 1 374 . 1 1 33 33 LEU CD1 C 13 25.806 0.3 . 1 . . . . 33 LEU CD1 . 15948 1 375 . 1 1 33 33 LEU CD2 C 13 21.955 0.3 . 1 . . . . 33 LEU CD2 . 15948 1 376 . 1 1 33 33 LEU CG C 13 27.612 0.3 . 1 . . . . 33 LEU CG . 15948 1 377 . 1 1 33 33 LEU N N 15 127.038 0.3 . 1 . . . . 33 LEU N . 15948 1 378 . 1 1 34 34 PRO HA H 1 4.210 0.020 . 1 . . . . 34 PRO HA . 15948 1 379 . 1 1 34 34 PRO HB2 H 1 2.324 0.020 . 2 . . . . 34 PRO HB2 . 15948 1 380 . 1 1 34 34 PRO HB3 H 1 1.877 0.020 . 2 . . . . 34 PRO HB3 . 15948 1 381 . 1 1 34 34 PRO HD2 H 1 3.847 0.020 . 1 . . . . 34 PRO HD2 . 15948 1 382 . 1 1 34 34 PRO HD3 H 1 3.847 0.020 . 1 . . . . 34 PRO HD3 . 15948 1 383 . 1 1 34 34 PRO HG2 H 1 2.211 0.020 . 2 . . . . 34 PRO HG2 . 15948 1 384 . 1 1 34 34 PRO HG3 H 1 1.978 0.020 . 2 . . . . 34 PRO HG3 . 15948 1 385 . 1 1 34 34 PRO C C 13 176.223 0.3 . 1 . . . . 34 PRO C . 15948 1 386 . 1 1 34 34 PRO CA C 13 65.824 0.3 . 1 . . . . 34 PRO CA . 15948 1 387 . 1 1 34 34 PRO CB C 13 31.563 0.3 . 1 . . . . 34 PRO CB . 15948 1 388 . 1 1 34 34 PRO CD C 13 51.077 0.3 . 1 . . . . 34 PRO CD . 15948 1 389 . 1 1 34 34 PRO CG C 13 28.281 0.3 . 1 . . . . 34 PRO CG . 15948 1 390 . 1 1 35 35 CYS H H 1 7.458 0.020 . 1 . . . . 35 CYS H . 15948 1 391 . 1 1 35 35 CYS HA H 1 4.249 0.020 . 1 . . . . 35 CYS HA . 15948 1 392 . 1 1 35 35 CYS HB2 H 1 3.023 0.020 . 2 . . . . 35 CYS HB2 . 15948 1 393 . 1 1 35 35 CYS HB3 H 1 2.503 0.020 . 2 . . . . 35 CYS HB3 . 15948 1 394 . 1 1 35 35 CYS C C 13 174.853 0.3 . 1 . . . . 35 CYS C . 15948 1 395 . 1 1 35 35 CYS CA C 13 57.968 0.3 . 1 . . . . 35 CYS CA . 15948 1 396 . 1 1 35 35 CYS CB C 13 31.080 0.3 . 1 . . . . 35 CYS CB . 15948 1 397 . 1 1 35 35 CYS N N 15 113.052 0.3 . 1 . . . . 35 CYS N . 15948 1 398 . 1 1 36 36 MET H H 1 8.271 0.020 . 1 . . . . 36 MET H . 15948 1 399 . 1 1 36 36 MET HA H 1 3.854 0.020 . 1 . . . . 36 MET HA . 15948 1 400 . 1 1 36 36 MET HB2 H 1 2.432 0.020 . 2 . . . . 36 MET HB2 . 15948 1 401 . 1 1 36 36 MET HB3 H 1 1.921 0.020 . 2 . . . . 36 MET HB3 . 15948 1 402 . 1 1 36 36 MET HG2 H 1 2.501 0.020 . 1 . . . . 36 MET HG2 . 15948 1 403 . 1 1 36 36 MET HG3 H 1 2.501 0.020 . 1 . . . . 36 MET HG3 . 15948 1 404 . 1 1 36 36 MET C C 13 176.137 0.3 . 1 . . . . 36 MET C . 15948 1 405 . 1 1 36 36 MET CA C 13 57.130 0.3 . 1 . . . . 36 MET CA . 15948 1 406 . 1 1 36 36 MET CB C 13 28.407 0.3 . 1 . . . . 36 MET CB . 15948 1 407 . 1 1 36 36 MET CG C 13 32.560 0.3 . 1 . . . . 36 MET CG . 15948 1 408 . 1 1 36 36 MET N N 15 111.994 0.3 . 1 . . . . 36 MET N . 15948 1 409 . 1 1 37 37 HIS H H 1 7.961 0.020 . 1 . . . . 37 HIS H . 15948 1 410 . 1 1 37 37 HIS HA H 1 4.382 0.020 . 1 . . . . 37 HIS HA . 15948 1 411 . 1 1 37 37 HIS HB2 H 1 3.209 0.020 . 2 . . . . 37 HIS HB2 . 15948 1 412 . 1 1 37 37 HIS HB3 H 1 2.780 0.020 . 2 . . . . 37 HIS HB3 . 15948 1 413 . 1 1 37 37 HIS HD2 H 1 7.286 0.020 . 1 . . . . 37 HIS HD2 . 15948 1 414 . 1 1 37 37 HIS HE1 H 1 7.800 0.020 . 1 . . . . 37 HIS HE1 . 15948 1 415 . 1 1 37 37 HIS C C 13 172.411 0.3 . 1 . . . . 37 HIS C . 15948 1 416 . 1 1 37 37 HIS CA C 13 60.790 0.3 . 1 . . . . 37 HIS CA . 15948 1 417 . 1 1 37 37 HIS CB C 13 31.225 0.3 . 1 . . . . 37 HIS CB . 15948 1 418 . 1 1 37 37 HIS CD2 C 13 118.858 0.3 . 1 . . . . 37 HIS CD2 . 15948 1 419 . 1 1 37 37 HIS CE1 C 13 138.000 0.3 . 1 . . . . 37 HIS CE1 . 15948 1 420 . 1 1 37 37 HIS N N 15 123.027 0.3 . 1 . . . . 37 HIS N . 15948 1 421 . 1 1 37 37 HIS ND1 N 15 219.170 0.3 . 1 . . . . 37 HIS ND1 . 15948 1 422 . 1 1 37 37 HIS NE2 N 15 169.984 0.3 . 1 . . . . 37 HIS NE2 . 15948 1 423 . 1 1 38 38 LEU H H 1 8.192 0.020 . 1 . . . . 38 LEU H . 15948 1 424 . 1 1 38 38 LEU HA H 1 4.723 0.020 . 1 . . . . 38 LEU HA . 15948 1 425 . 1 1 38 38 LEU HB2 H 1 1.285 0.020 . 2 . . . . 38 LEU HB2 . 15948 1 426 . 1 1 38 38 LEU HB3 H 1 1.033 0.020 . 2 . . . . 38 LEU HB3 . 15948 1 427 . 1 1 38 38 LEU HD11 H 1 0.566 0.020 . 1 . . . . 38 LEU HD1 . 15948 1 428 . 1 1 38 38 LEU HD12 H 1 0.566 0.020 . 1 . . . . 38 LEU HD1 . 15948 1 429 . 1 1 38 38 LEU HD13 H 1 0.566 0.020 . 1 . . . . 38 LEU HD1 . 15948 1 430 . 1 1 38 38 LEU HD21 H 1 0.566 0.020 . 1 . . . . 38 LEU HD2 . 15948 1 431 . 1 1 38 38 LEU HD22 H 1 0.566 0.020 . 1 . . . . 38 LEU HD2 . 15948 1 432 . 1 1 38 38 LEU HD23 H 1 0.566 0.020 . 1 . . . . 38 LEU HD2 . 15948 1 433 . 1 1 38 38 LEU HG H 1 1.145 0.020 . 1 . . . . 38 LEU HG . 15948 1 434 . 1 1 38 38 LEU C C 13 173.825 0.3 . 1 . . . . 38 LEU C . 15948 1 435 . 1 1 38 38 LEU CA C 13 54.175 0.3 . 1 . . . . 38 LEU CA . 15948 1 436 . 1 1 38 38 LEU CB C 13 46.461 0.3 . 1 . . . . 38 LEU CB . 15948 1 437 . 1 1 38 38 LEU CD1 C 13 24.385 0.3 . 1 . . . . 38 LEU CD1 . 15948 1 438 . 1 1 38 38 LEU CD2 C 13 24.094 0.3 . 1 . . . . 38 LEU CD2 . 15948 1 439 . 1 1 38 38 LEU CG C 13 26.138 0.3 . 1 . . . . 38 LEU CG . 15948 1 440 . 1 1 38 38 LEU N N 15 124.607 0.3 . 1 . . . . 38 LEU N . 15948 1 441 . 1 1 39 39 PHE H H 1 8.033 0.020 . 1 . . . . 39 PHE H . 15948 1 442 . 1 1 39 39 PHE HA H 1 4.815 0.020 . 1 . . . . 39 PHE HA . 15948 1 443 . 1 1 39 39 PHE HB2 H 1 2.264 0.020 . 2 . . . . 39 PHE HB2 . 15948 1 444 . 1 1 39 39 PHE HB3 H 1 3.399 0.020 . 2 . . . . 39 PHE HB3 . 15948 1 445 . 1 1 39 39 PHE HD1 H 1 7.256 0.020 . 1 . . . . 39 PHE HD1 . 15948 1 446 . 1 1 39 39 PHE HD2 H 1 7.256 0.020 . 1 . . . . 39 PHE HD2 . 15948 1 447 . 1 1 39 39 PHE HE1 H 1 7.116 0.020 . 1 . . . . 39 PHE HE1 . 15948 1 448 . 1 1 39 39 PHE HE2 H 1 7.116 0.020 . 1 . . . . 39 PHE HE2 . 15948 1 449 . 1 1 39 39 PHE HZ H 1 7.175 0.020 . 1 . . . . 39 PHE HZ . 15948 1 450 . 1 1 39 39 PHE C C 13 176.116 0.3 . 1 . . . . 39 PHE C . 15948 1 451 . 1 1 39 39 PHE CA C 13 55.715 0.3 . 1 . . . . 39 PHE CA . 15948 1 452 . 1 1 39 39 PHE CB C 13 45.719 0.3 . 1 . . . . 39 PHE CB . 15948 1 453 . 1 1 39 39 PHE CD1 C 13 131.123 0.3 . 1 . . . . 39 PHE CD1 . 15948 1 454 . 1 1 39 39 PHE CD2 C 13 131.061 0.3 . 1 . . . . 39 PHE CD2 . 15948 1 455 . 1 1 39 39 PHE CE1 C 13 129.444 0.3 . 1 . . . . 39 PHE CE1 . 15948 1 456 . 1 1 39 39 PHE CE2 C 13 129.444 0.3 . 1 . . . . 39 PHE CE2 . 15948 1 457 . 1 1 39 39 PHE N N 15 117.417 0.3 . 1 . . . . 39 PHE N . 15948 1 458 . 1 1 40 40 HIS H H 1 8.434 0.020 . 1 . . . . 40 HIS H . 15948 1 459 . 1 1 40 40 HIS HA H 1 4.582 0.020 . 1 . . . . 40 HIS HA . 15948 1 460 . 1 1 40 40 HIS HB2 H 1 3.959 0.020 . 2 . . . . 40 HIS HB2 . 15948 1 461 . 1 1 40 40 HIS HB3 H 1 3.635 0.020 . 2 . . . . 40 HIS HB3 . 15948 1 462 . 1 1 40 40 HIS HD2 H 1 6.959 0.020 . 1 . . . . 40 HIS HD2 . 15948 1 463 . 1 1 40 40 HIS HE1 H 1 7.311 0.020 . 1 . . . . 40 HIS HE1 . 15948 1 464 . 1 1 40 40 HIS HE2 H 1 12.508 0.020 . 1 . . . . 40 HIS HE2 . 15948 1 465 . 1 1 40 40 HIS C C 13 176.716 0.3 . 1 . . . . 40 HIS C . 15948 1 466 . 1 1 40 40 HIS CA C 13 60.196 0.3 . 1 . . . . 40 HIS CA . 15948 1 467 . 1 1 40 40 HIS CB C 13 30.920 0.3 . 1 . . . . 40 HIS CB . 15948 1 468 . 1 1 40 40 HIS CD2 C 13 118.500 0.3 . 1 . . . . 40 HIS CD2 . 15948 1 469 . 1 1 40 40 HIS CE1 C 13 138.000 0.3 . 1 . . . . 40 HIS CE1 . 15948 1 470 . 1 1 40 40 HIS N N 15 118.657 0.3 . 1 . . . . 40 HIS N . 15948 1 471 . 1 1 40 40 HIS ND1 N 15 224.513 0.3 . 1 . . . . 40 HIS ND1 . 15948 1 472 . 1 1 40 40 HIS NE2 N 15 173.256 0.3 . 1 . . . . 40 HIS NE2 . 15948 1 473 . 1 1 41 41 GLN H H 1 9.036 0.020 . 1 . . . . 41 GLN H . 15948 1 474 . 1 1 41 41 GLN HA H 1 3.673 0.020 . 1 . . . . 41 GLN HA . 15948 1 475 . 1 1 41 41 GLN HB2 H 1 1.916 0.020 . 2 . . . . 41 GLN HB2 . 15948 1 476 . 1 1 41 41 GLN HB3 H 1 1.697 0.020 . 2 . . . . 41 GLN HB3 . 15948 1 477 . 1 1 41 41 GLN HE21 H 1 7.848 0.020 . 1 . . . . 41 GLN HE21 . 15948 1 478 . 1 1 41 41 GLN HE22 H 1 6.779 0.020 . 1 . . . . 41 GLN HE22 . 15948 1 479 . 1 1 41 41 GLN HG2 H 1 2.125 0.020 . 1 . . . . 41 GLN HG2 . 15948 1 480 . 1 1 41 41 GLN HG3 H 1 2.125 0.020 . 1 . . . . 41 GLN HG3 . 15948 1 481 . 1 1 41 41 GLN C C 13 177.508 0.3 . 1 . . . . 41 GLN C . 15948 1 482 . 1 1 41 41 GLN CA C 13 59.944 0.3 . 1 . . . . 41 GLN CA . 15948 1 483 . 1 1 41 41 GLN CB C 13 28.317 0.3 . 1 . . . . 41 GLN CB . 15948 1 484 . 1 1 41 41 GLN CG C 13 33.260 0.3 . 1 . . . . 41 GLN CG . 15948 1 485 . 1 1 41 41 GLN N N 15 125.632 0.3 . 1 . . . . 41 GLN N . 15948 1 486 . 1 1 41 41 GLN NE2 N 15 113.235 0.3 . 1 . . . . 41 GLN NE2 . 15948 1 487 . 1 1 42 42 VAL H H 1 8.792 0.020 . 1 . . . . 42 VAL H . 15948 1 488 . 1 1 42 42 VAL HA H 1 3.888 0.020 . 1 . . . . 42 VAL HA . 15948 1 489 . 1 1 42 42 VAL HB H 1 1.962 0.020 . 1 . . . . 42 VAL HB . 15948 1 490 . 1 1 42 42 VAL HG11 H 1 0.916 0.020 . 1 . . . . 42 VAL HG1 . 15948 1 491 . 1 1 42 42 VAL HG12 H 1 0.916 0.020 . 1 . . . . 42 VAL HG1 . 15948 1 492 . 1 1 42 42 VAL HG13 H 1 0.916 0.020 . 1 . . . . 42 VAL HG1 . 15948 1 493 . 1 1 42 42 VAL HG21 H 1 0.916 0.020 . 1 . . . . 42 VAL HG2 . 15948 1 494 . 1 1 42 42 VAL HG22 H 1 0.916 0.020 . 1 . . . . 42 VAL HG2 . 15948 1 495 . 1 1 42 42 VAL HG23 H 1 0.916 0.020 . 1 . . . . 42 VAL HG2 . 15948 1 496 . 1 1 42 42 VAL C C 13 178.343 0.3 . 1 . . . . 42 VAL C . 15948 1 497 . 1 1 42 42 VAL CA C 13 65.440 0.3 . 1 . . . . 42 VAL CA . 15948 1 498 . 1 1 42 42 VAL CB C 13 31.642 0.3 . 1 . . . . 42 VAL CB . 15948 1 499 . 1 1 42 42 VAL CG1 C 13 21.586 0.3 . 1 . . . . 42 VAL CG1 . 15948 1 500 . 1 1 42 42 VAL CG2 C 13 21.586 0.3 . 1 . . . . 42 VAL CG2 . 15948 1 501 . 1 1 42 42 VAL N N 15 115.341 0.3 . 1 . . . . 42 VAL N . 15948 1 502 . 1 1 43 43 CYS H H 1 6.523 0.020 . 1 . . . . 43 CYS H . 15948 1 503 . 1 1 43 43 CYS HA H 1 3.985 0.020 . 1 . . . . 43 CYS HA . 15948 1 504 . 1 1 43 43 CYS HB2 H 1 2.951 0.020 . 2 . . . . 43 CYS HB2 . 15948 1 505 . 1 1 43 43 CYS HB3 H 1 2.882 0.020 . 2 . . . . 43 CYS HB3 . 15948 1 506 . 1 1 43 43 CYS C C 13 177.615 0.3 . 1 . . . . 43 CYS C . 15948 1 507 . 1 1 43 43 CYS CA C 13 63.188 0.3 . 1 . . . . 43 CYS CA . 15948 1 508 . 1 1 43 43 CYS CB C 13 29.052 0.3 . 1 . . . . 43 CYS CB . 15948 1 509 . 1 1 43 43 CYS N N 15 118.199 0.3 . 1 . . . . 43 CYS N . 15948 1 510 . 1 1 44 44 VAL H H 1 8.106 0.020 . 1 . . . . 44 VAL H . 15948 1 511 . 1 1 44 44 VAL HA H 1 3.684 0.020 . 1 . . . . 44 VAL HA . 15948 1 512 . 1 1 44 44 VAL HB H 1 1.724 0.020 . 1 . . . . 44 VAL HB . 15948 1 513 . 1 1 44 44 VAL HG11 H 1 0.590 0.020 . 1 . . . . 44 VAL HG1 . 15948 1 514 . 1 1 44 44 VAL HG12 H 1 0.590 0.020 . 1 . . . . 44 VAL HG1 . 15948 1 515 . 1 1 44 44 VAL HG13 H 1 0.590 0.020 . 1 . . . . 44 VAL HG1 . 15948 1 516 . 1 1 44 44 VAL HG21 H 1 0.889 0.020 . 1 . . . . 44 VAL HG2 . 15948 1 517 . 1 1 44 44 VAL HG22 H 1 0.889 0.020 . 1 . . . . 44 VAL HG2 . 15948 1 518 . 1 1 44 44 VAL HG23 H 1 0.889 0.020 . 1 . . . . 44 VAL HG2 . 15948 1 519 . 1 1 44 44 VAL C C 13 174.553 0.3 . 1 . . . . 44 VAL C . 15948 1 520 . 1 1 44 44 VAL CA C 13 64.808 0.3 . 1 . . . . 44 VAL CA . 15948 1 521 . 1 1 44 44 VAL CB C 13 31.675 0.3 . 1 . . . . 44 VAL CB . 15948 1 522 . 1 1 44 44 VAL CG1 C 13 23.890 0.3 . 1 . . . . 44 VAL CG1 . 15948 1 523 . 1 1 44 44 VAL CG2 C 13 21.023 0.3 . 1 . . . . 44 VAL CG2 . 15948 1 524 . 1 1 44 44 VAL N N 15 119.654 0.3 . 1 . . . . 44 VAL N . 15948 1 525 . 1 1 45 45 ASP H H 1 8.451 0.020 . 1 . . . . 45 ASP H . 15948 1 526 . 1 1 45 45 ASP HA H 1 4.303 0.020 . 1 . . . . 45 ASP HA . 15948 1 527 . 1 1 45 45 ASP HB2 H 1 2.735 0.020 . 2 . . . . 45 ASP HB2 . 15948 1 528 . 1 1 45 45 ASP HB3 H 1 2.457 0.020 . 2 . . . . 45 ASP HB3 . 15948 1 529 . 1 1 45 45 ASP C C 13 179.178 0.3 . 1 . . . . 45 ASP C . 15948 1 530 . 1 1 45 45 ASP CA C 13 58.116 0.3 . 1 . . . . 45 ASP CA . 15948 1 531 . 1 1 45 45 ASP CB C 13 39.682 0.3 . 1 . . . . 45 ASP CB . 15948 1 532 . 1 1 45 45 ASP N N 15 122.951 0.3 . 1 . . . . 45 ASP N . 15948 1 533 . 1 1 46 46 GLN H H 1 7.591 0.020 . 1 . . . . 46 GLN H . 15948 1 534 . 1 1 46 46 GLN HA H 1 4.028 0.020 . 1 . . . . 46 GLN HA . 15948 1 535 . 1 1 46 46 GLN HB2 H 1 2.113 0.020 . 1 . . . . 46 GLN HB2 . 15948 1 536 . 1 1 46 46 GLN HB3 H 1 2.113 0.020 . 1 . . . . 46 GLN HB3 . 15948 1 537 . 1 1 46 46 GLN HE21 H 1 7.457 0.020 . 1 . . . . 46 GLN HE21 . 15948 1 538 . 1 1 46 46 GLN HE22 H 1 6.879 0.020 . 1 . . . . 46 GLN HE22 . 15948 1 539 . 1 1 46 46 GLN HG2 H 1 2.412 0.020 . 2 . . . . 46 GLN HG2 . 15948 1 540 . 1 1 46 46 GLN HG3 H 1 2.332 0.020 . 2 . . . . 46 GLN HG3 . 15948 1 541 . 1 1 46 46 GLN C C 13 178.857 0.3 . 1 . . . . 46 GLN C . 15948 1 542 . 1 1 46 46 GLN CA C 13 58.227 0.3 . 1 . . . . 46 GLN CA . 15948 1 543 . 1 1 46 46 GLN CB C 13 28.329 0.3 . 1 . . . . 46 GLN CB . 15948 1 544 . 1 1 46 46 GLN CG C 13 34.014 0.3 . 1 . . . . 46 GLN CG . 15948 1 545 . 1 1 46 46 GLN N N 15 117.019 0.3 . 1 . . . . 46 GLN N . 15948 1 546 . 1 1 46 46 GLN NE2 N 15 111.872 0.3 . 1 . . . . 46 GLN NE2 . 15948 1 547 . 1 1 47 47 TRP H H 1 8.234 0.020 . 1 . . . . 47 TRP H . 15948 1 548 . 1 1 47 47 TRP HA H 1 4.106 0.020 . 1 . . . . 47 TRP HA . 15948 1 549 . 1 1 47 47 TRP HB2 H 1 3.383 0.020 . 2 . . . . 47 TRP HB2 . 15948 1 550 . 1 1 47 47 TRP HB3 H 1 3.269 0.020 . 2 . . . . 47 TRP HB3 . 15948 1 551 . 1 1 47 47 TRP HD1 H 1 6.748 0.020 . 1 . . . . 47 TRP HD1 . 15948 1 552 . 1 1 47 47 TRP HE1 H 1 10.151 0.020 . 1 . . . . 47 TRP HE1 . 15948 1 553 . 1 1 47 47 TRP HE3 H 1 7.620 0.020 . 1 . . . . 47 TRP HE3 . 15948 1 554 . 1 1 47 47 TRP HH2 H 1 6.814 0.020 . 1 . . . . 47 TRP HH2 . 15948 1 555 . 1 1 47 47 TRP HZ2 H 1 7.284 0.020 . 1 . . . . 47 TRP HZ2 . 15948 1 556 . 1 1 47 47 TRP HZ3 H 1 7.180 0.020 . 1 . . . . 47 TRP HZ3 . 15948 1 557 . 1 1 47 47 TRP C C 13 178.000 0.3 . 1 . . . . 47 TRP C . 15948 1 558 . 1 1 47 47 TRP CA C 13 60.634 0.3 . 1 . . . . 47 TRP CA . 15948 1 559 . 1 1 47 47 TRP CB C 13 29.707 0.3 . 1 . . . . 47 TRP CB . 15948 1 560 . 1 1 47 47 TRP CD1 C 13 125.507 0.3 . 1 . . . . 47 TRP CD1 . 15948 1 561 . 1 1 47 47 TRP CE3 C 13 120.822 0.3 . 1 . . . . 47 TRP CE3 . 15948 1 562 . 1 1 47 47 TRP CZ2 C 13 114.333 0.3 . 1 . . . . 47 TRP CZ2 . 15948 1 563 . 1 1 47 47 TRP CZ3 C 13 125.000 0.3 . 1 . . . . 47 TRP CZ3 . 15948 1 564 . 1 1 47 47 TRP N N 15 123.935 0.3 . 1 . . . . 47 TRP N . 15948 1 565 . 1 1 47 47 TRP NE1 N 15 129.525 0.3 . 1 . . . . 47 TRP NE1 . 15948 1 566 . 1 1 48 48 LEU H H 1 8.467 0.020 . 1 . . . . 48 LEU H . 15948 1 567 . 1 1 48 48 LEU HA H 1 4.486 0.020 . 1 . . . . 48 LEU HA . 15948 1 568 . 1 1 48 48 LEU HB2 H 1 1.830 0.020 . 2 . . . . 48 LEU HB2 . 15948 1 569 . 1 1 48 48 LEU HB3 H 1 1.451 0.020 . 2 . . . . 48 LEU HB3 . 15948 1 570 . 1 1 48 48 LEU HD11 H 1 0.814 0.020 . 1 . . . . 48 LEU HD1 . 15948 1 571 . 1 1 48 48 LEU HD12 H 1 0.814 0.020 . 1 . . . . 48 LEU HD1 . 15948 1 572 . 1 1 48 48 LEU HD13 H 1 0.814 0.020 . 1 . . . . 48 LEU HD1 . 15948 1 573 . 1 1 48 48 LEU HD21 H 1 0.871 0.020 . 1 . . . . 48 LEU HD2 . 15948 1 574 . 1 1 48 48 LEU HD22 H 1 0.871 0.020 . 1 . . . . 48 LEU HD2 . 15948 1 575 . 1 1 48 48 LEU HD23 H 1 0.871 0.020 . 1 . . . . 48 LEU HD2 . 15948 1 576 . 1 1 48 48 LEU HG H 1 1.910 0.020 . 1 . . . . 48 LEU HG . 15948 1 577 . 1 1 48 48 LEU C C 13 177.958 0.3 . 1 . . . . 48 LEU C . 15948 1 578 . 1 1 48 48 LEU CA C 13 55.970 0.3 . 1 . . . . 48 LEU CA . 15948 1 579 . 1 1 48 48 LEU CB C 13 42.483 0.3 . 1 . . . . 48 LEU CB . 15948 1 580 . 1 1 48 48 LEU CD1 C 13 26.020 0.3 . 1 . . . . 48 LEU CD1 . 15948 1 581 . 1 1 48 48 LEU CD2 C 13 23.337 0.3 . 1 . . . . 48 LEU CD2 . 15948 1 582 . 1 1 48 48 LEU CG C 13 27.408 0.3 . 1 . . . . 48 LEU CG . 15948 1 583 . 1 1 48 48 LEU N N 15 116.510 0.3 . 1 . . . . 48 LEU N . 15948 1 584 . 1 1 49 49 ILE H H 1 7.425 0.020 . 1 . . . . 49 ILE H . 15948 1 585 . 1 1 49 49 ILE HA H 1 3.592 0.020 . 1 . . . . 49 ILE HA . 15948 1 586 . 1 1 49 49 ILE HB H 1 1.812 0.020 . 1 . . . . 49 ILE HB . 15948 1 587 . 1 1 49 49 ILE HD11 H 1 0.798 0.020 . 1 . . . . 49 ILE HD1 . 15948 1 588 . 1 1 49 49 ILE HD12 H 1 0.798 0.020 . 1 . . . . 49 ILE HD1 . 15948 1 589 . 1 1 49 49 ILE HD13 H 1 0.798 0.020 . 1 . . . . 49 ILE HD1 . 15948 1 590 . 1 1 49 49 ILE HG12 H 1 1.080 0.020 . 1 . . . . 49 ILE HG12 . 15948 1 591 . 1 1 49 49 ILE HG13 H 1 1.080 0.020 . 1 . . . . 49 ILE HG13 . 15948 1 592 . 1 1 49 49 ILE HG21 H 1 0.800 0.020 . 1 . . . . 49 ILE HG2 . 15948 1 593 . 1 1 49 49 ILE HG22 H 1 0.800 0.020 . 1 . . . . 49 ILE HG2 . 15948 1 594 . 1 1 49 49 ILE HG23 H 1 0.800 0.020 . 1 . . . . 49 ILE HG2 . 15948 1 595 . 1 1 49 49 ILE C C 13 177.936 0.3 . 1 . . . . 49 ILE C . 15948 1 596 . 1 1 49 49 ILE CA C 13 64.817 0.3 . 1 . . . . 49 ILE CA . 15948 1 597 . 1 1 49 49 ILE CB C 13 37.442 0.3 . 1 . . . . 49 ILE CB . 15948 1 598 . 1 1 49 49 ILE CD1 C 13 12.776 0.3 . 1 . . . . 49 ILE CD1 . 15948 1 599 . 1 1 49 49 ILE CG1 C 13 28.369 0.3 . 1 . . . . 49 ILE CG1 . 15948 1 600 . 1 1 49 49 ILE CG2 C 13 17.152 0.3 . 1 . . . . 49 ILE CG2 . 15948 1 601 . 1 1 49 49 ILE N N 15 119.065 0.3 . 1 . . . . 49 ILE N . 15948 1 602 . 1 1 50 50 THR H H 1 7.052 0.020 . 1 . . . . 50 THR H . 15948 1 603 . 1 1 50 50 THR HA H 1 4.280 0.020 . 1 . . . . 50 THR HA . 15948 1 604 . 1 1 50 50 THR HB H 1 3.951 0.020 . 1 . . . . 50 THR HB . 15948 1 605 . 1 1 50 50 THR HG21 H 1 1.052 0.020 . 1 . . . . 50 THR HG2 . 15948 1 606 . 1 1 50 50 THR HG22 H 1 1.052 0.020 . 1 . . . . 50 THR HG2 . 15948 1 607 . 1 1 50 50 THR HG23 H 1 1.052 0.020 . 1 . . . . 50 THR HG2 . 15948 1 608 . 1 1 50 50 THR C C 13 174.103 0.3 . 1 . . . . 50 THR C . 15948 1 609 . 1 1 50 50 THR CA C 13 61.568 0.3 . 1 . . . . 50 THR CA . 15948 1 610 . 1 1 50 50 THR CB C 13 70.041 0.3 . 1 . . . . 50 THR CB . 15948 1 611 . 1 1 50 50 THR CG2 C 13 21.604 0.3 . 1 . . . . 50 THR CG2 . 15948 1 612 . 1 1 50 50 THR N N 15 105.373 0.3 . 1 . . . . 50 THR N . 15948 1 613 . 1 1 51 51 ASN H H 1 7.837 0.020 . 1 . . . . 51 ASN H . 15948 1 614 . 1 1 51 51 ASN HA H 1 4.465 0.020 . 1 . . . . 51 ASN HA . 15948 1 615 . 1 1 51 51 ASN HB2 H 1 1.715 0.020 . 2 . . . . 51 ASN HB2 . 15948 1 616 . 1 1 51 51 ASN HB3 H 1 1.219 0.020 . 2 . . . . 51 ASN HB3 . 15948 1 617 . 1 1 51 51 ASN C C 13 173.611 0.3 . 1 . . . . 51 ASN C . 15948 1 618 . 1 1 51 51 ASN CA C 13 53.251 0.3 . 1 . . . . 51 ASN CA . 15948 1 619 . 1 1 51 51 ASN CB C 13 40.949 0.3 . 1 . . . . 51 ASN CB . 15948 1 620 . 1 1 51 51 ASN N N 15 121.149 0.3 . 1 . . . . 51 ASN N . 15948 1 621 . 1 1 52 52 LYS H H 1 8.433 0.020 . 1 . . . . 52 LYS H . 15948 1 622 . 1 1 52 52 LYS HA H 1 4.338 0.020 . 1 . . . . 52 LYS HA . 15948 1 623 . 1 1 52 52 LYS HB2 H 1 1.956 0.020 . 2 . . . . 52 LYS HB2 . 15948 1 624 . 1 1 52 52 LYS HB3 H 1 1.613 0.020 . 2 . . . . 52 LYS HB3 . 15948 1 625 . 1 1 52 52 LYS HD2 H 1 1.462 0.020 . 1 . . . . 52 LYS HD2 . 15948 1 626 . 1 1 52 52 LYS HD3 H 1 1.462 0.020 . 1 . . . . 52 LYS HD3 . 15948 1 627 . 1 1 52 52 LYS HE2 H 1 2.793 0.020 . 1 . . . . 52 LYS HE2 . 15948 1 628 . 1 1 52 52 LYS HE3 H 1 2.793 0.020 . 1 . . . . 52 LYS HE3 . 15948 1 629 . 1 1 52 52 LYS HG2 H 1 1.262 0.020 . 1 . . . . 52 LYS HG2 . 15948 1 630 . 1 1 52 52 LYS HG3 H 1 1.262 0.020 . 1 . . . . 52 LYS HG3 . 15948 1 631 . 1 1 52 52 LYS C C 13 175.602 0.3 . 1 . . . . 52 LYS C . 15948 1 632 . 1 1 52 52 LYS CA C 13 55.411 0.3 . 1 . . . . 52 LYS CA . 15948 1 633 . 1 1 52 52 LYS CB C 13 32.367 0.3 . 1 . . . . 52 LYS CB . 15948 1 634 . 1 1 52 52 LYS CD C 13 28.815 0.3 . 1 . . . . 52 LYS CD . 15948 1 635 . 1 1 52 52 LYS CE C 13 42.280 0.3 . 1 . . . . 52 LYS CE . 15948 1 636 . 1 1 52 52 LYS CG C 13 24.915 0.3 . 1 . . . . 52 LYS CG . 15948 1 637 . 1 1 52 52 LYS N N 15 117.527 0.3 . 1 . . . . 52 LYS N . 15948 1 638 . 1 1 53 53 LYS H H 1 7.654 0.020 . 1 . . . . 53 LYS H . 15948 1 639 . 1 1 53 53 LYS HA H 1 4.899 0.020 . 1 . . . . 53 LYS HA . 15948 1 640 . 1 1 53 53 LYS HB2 H 1 1.500 0.020 . 2 . . . . 53 LYS HB2 . 15948 1 641 . 1 1 53 53 LYS HB3 H 1 1.314 0.020 . 2 . . . . 53 LYS HB3 . 15948 1 642 . 1 1 53 53 LYS HD2 H 1 1.535 0.020 . 1 . . . . 53 LYS HD2 . 15948 1 643 . 1 1 53 53 LYS HD3 H 1 1.535 0.020 . 1 . . . . 53 LYS HD3 . 15948 1 644 . 1 1 53 53 LYS HE2 H 1 2.954 0.020 . 1 . . . . 53 LYS HE2 . 15948 1 645 . 1 1 53 53 LYS HE3 H 1 2.954 0.020 . 1 . . . . 53 LYS HE3 . 15948 1 646 . 1 1 53 53 LYS HG2 H 1 1.203 0.020 . 1 . . . . 53 LYS HG2 . 15948 1 647 . 1 1 53 53 LYS HG3 H 1 1.203 0.020 . 1 . . . . 53 LYS HG3 . 15948 1 648 . 1 1 53 53 LYS C C 13 175.174 0.3 . 1 . . . . 53 LYS C . 15948 1 649 . 1 1 53 53 LYS CA C 13 54.240 0.3 . 1 . . . . 53 LYS CA . 15948 1 650 . 1 1 53 53 LYS CB C 13 36.590 0.3 . 1 . . . . 53 LYS CB . 15948 1 651 . 1 1 53 53 LYS CD C 13 29.249 0.3 . 1 . . . . 53 LYS CD . 15948 1 652 . 1 1 53 53 LYS CE C 13 42.323 0.3 . 1 . . . . 53 LYS CE . 15948 1 653 . 1 1 53 53 LYS CG C 13 25.067 0.3 . 1 . . . . 53 LYS CG . 15948 1 654 . 1 1 53 53 LYS N N 15 117.587 0.3 . 1 . . . . 53 LYS N . 15948 1 655 . 1 1 54 54 CYS H H 1 8.510 0.020 . 1 . . . . 54 CYS H . 15948 1 656 . 1 1 54 54 CYS HA H 1 4.022 0.020 . 1 . . . . 54 CYS HA . 15948 1 657 . 1 1 54 54 CYS HB2 H 1 3.024 0.020 . 1 . . . . 54 CYS HB2 . 15948 1 658 . 1 1 54 54 CYS HB3 H 1 3.024 0.020 . 1 . . . . 54 CYS HB3 . 15948 1 659 . 1 1 54 54 CYS CA C 13 57.009 0.3 . 1 . . . . 54 CYS CA . 15948 1 660 . 1 1 54 54 CYS CB C 13 31.495 0.3 . 1 . . . . 54 CYS CB . 15948 1 661 . 1 1 54 54 CYS N N 15 123.474 0.3 . 1 . . . . 54 CYS N . 15948 1 662 . 1 1 55 55 PRO HA H 1 3.943 0.020 . 1 . . . . 55 PRO HA . 15948 1 663 . 1 1 55 55 PRO HB2 H 1 1.184 0.020 . 2 . . . . 55 PRO HB2 . 15948 1 664 . 1 1 55 55 PRO HB3 H 1 0.884 0.020 . 2 . . . . 55 PRO HB3 . 15948 1 665 . 1 1 55 55 PRO HD2 H 1 3.445 0.020 . 2 . . . . 55 PRO HD2 . 15948 1 666 . 1 1 55 55 PRO HD3 H 1 2.773 0.020 . 2 . . . . 55 PRO HD3 . 15948 1 667 . 1 1 55 55 PRO HG2 H 1 -0.320 0.020 . 1 . . . . 55 PRO HG2 . 15948 1 668 . 1 1 55 55 PRO HG3 H 1 -0.320 0.020 . 1 . . . . 55 PRO HG3 . 15948 1 669 . 1 1 55 55 PRO C C 13 176.994 0.3 . 1 . . . . 55 PRO C . 15948 1 670 . 1 1 55 55 PRO CA C 13 64.502 0.3 . 1 . . . . 55 PRO CA . 15948 1 671 . 1 1 55 55 PRO CB C 13 31.719 0.3 . 1 . . . . 55 PRO CB . 15948 1 672 . 1 1 55 55 PRO CD C 13 50.440 0.3 . 1 . . . . 55 PRO CD . 15948 1 673 . 1 1 55 55 PRO CG C 13 25.500 0.3 . 1 . . . . 55 PRO CG . 15948 1 674 . 1 1 56 56 ILE H H 1 9.330 0.020 . 1 . . . . 56 ILE H . 15948 1 675 . 1 1 56 56 ILE HA H 1 3.746 0.020 . 1 . . . . 56 ILE HA . 15948 1 676 . 1 1 56 56 ILE HB H 1 0.902 0.020 . 1 . . . . 56 ILE HB . 15948 1 677 . 1 1 56 56 ILE HD11 H 1 0.483 0.020 . 1 . . . . 56 ILE HD1 . 15948 1 678 . 1 1 56 56 ILE HD12 H 1 0.483 0.020 . 1 . . . . 56 ILE HD1 . 15948 1 679 . 1 1 56 56 ILE HD13 H 1 0.483 0.020 . 1 . . . . 56 ILE HD1 . 15948 1 680 . 1 1 56 56 ILE HG12 H 1 0.773 0.020 . 1 . . . . 56 ILE HG12 . 15948 1 681 . 1 1 56 56 ILE HG13 H 1 0.773 0.020 . 1 . . . . 56 ILE HG13 . 15948 1 682 . 1 1 56 56 ILE HG21 H 1 0.292 0.020 . 1 . . . . 56 ILE HG2 . 15948 1 683 . 1 1 56 56 ILE HG22 H 1 0.292 0.020 . 1 . . . . 56 ILE HG2 . 15948 1 684 . 1 1 56 56 ILE HG23 H 1 0.292 0.020 . 1 . . . . 56 ILE HG2 . 15948 1 685 . 1 1 56 56 ILE C C 13 177.068 0.3 . 1 . . . . 56 ILE C . 15948 1 686 . 1 1 56 56 ILE CA C 13 63.524 0.3 . 1 . . . . 56 ILE CA . 15948 1 687 . 1 1 56 56 ILE CB C 13 39.443 0.3 . 1 . . . . 56 ILE CB . 15948 1 688 . 1 1 56 56 ILE CD1 C 13 13.272 0.3 . 1 . . . . 56 ILE CD1 . 15948 1 689 . 1 1 56 56 ILE CG1 C 13 28.369 0.3 . 1 . . . . 56 ILE CG1 . 15948 1 690 . 1 1 56 56 ILE CG2 C 13 16.304 0.3 . 1 . . . . 56 ILE CG2 . 15948 1 691 . 1 1 56 56 ILE N N 15 120.142 0.3 . 1 . . . . 56 ILE N . 15948 1 692 . 1 1 57 57 CYS H H 1 8.398 0.020 . 1 . . . . 57 CYS H . 15948 1 693 . 1 1 57 57 CYS HA H 1 4.784 0.020 . 1 . . . . 57 CYS HA . 15948 1 694 . 1 1 57 57 CYS HB2 H 1 3.272 0.020 . 2 . . . . 57 CYS HB2 . 15948 1 695 . 1 1 57 57 CYS HB3 H 1 2.729 0.020 . 2 . . . . 57 CYS HB3 . 15948 1 696 . 1 1 57 57 CYS C C 13 176.009 0.3 . 1 . . . . 57 CYS C . 15948 1 697 . 1 1 57 57 CYS CA C 13 58.968 0.3 . 1 . . . . 57 CYS CA . 15948 1 698 . 1 1 57 57 CYS CB C 13 31.510 0.3 . 1 . . . . 57 CYS CB . 15948 1 699 . 1 1 57 57 CYS N N 15 118.627 0.3 . 1 . . . . 57 CYS N . 15948 1 700 . 1 1 58 58 ARG H H 1 7.916 0.020 . 1 . . . . 58 ARG H . 15948 1 701 . 1 1 58 58 ARG HA H 1 3.976 0.020 . 1 . . . . 58 ARG HA . 15948 1 702 . 1 1 58 58 ARG HB2 H 1 1.966 0.020 . 1 . . . . 58 ARG HB2 . 15948 1 703 . 1 1 58 58 ARG HB3 H 1 1.966 0.020 . 1 . . . . 58 ARG HB3 . 15948 1 704 . 1 1 58 58 ARG HD2 H 1 3.079 0.020 . 1 . . . . 58 ARG HD2 . 15948 1 705 . 1 1 58 58 ARG HD3 H 1 3.079 0.020 . 1 . . . . 58 ARG HD3 . 15948 1 706 . 1 1 58 58 ARG HG2 H 1 1.412 0.020 . 1 . . . . 58 ARG HG2 . 15948 1 707 . 1 1 58 58 ARG HG3 H 1 1.412 0.020 . 1 . . . . 58 ARG HG3 . 15948 1 708 . 1 1 58 58 ARG C C 13 174.317 0.3 . 1 . . . . 58 ARG C . 15948 1 709 . 1 1 58 58 ARG CA C 13 57.962 0.3 . 1 . . . . 58 ARG CA . 15948 1 710 . 1 1 58 58 ARG CB C 13 26.532 0.3 . 1 . . . . 58 ARG CB . 15948 1 711 . 1 1 58 58 ARG CD C 13 43.026 0.3 . 1 . . . . 58 ARG CD . 15948 1 712 . 1 1 58 58 ARG CG C 13 27.339 0.3 . 1 . . . . 58 ARG CG . 15948 1 713 . 1 1 58 58 ARG N N 15 115.579 0.3 . 1 . . . . 58 ARG N . 15948 1 714 . 1 1 59 59 VAL H H 1 7.682 0.020 . 1 . . . . 59 VAL H . 15948 1 715 . 1 1 59 59 VAL HA H 1 4.047 0.020 . 1 . . . . 59 VAL HA . 15948 1 716 . 1 1 59 59 VAL HB H 1 1.997 0.020 . 1 . . . . 59 VAL HB . 15948 1 717 . 1 1 59 59 VAL HG11 H 1 0.974 0.020 . 1 . . . . 59 VAL HG1 . 15948 1 718 . 1 1 59 59 VAL HG12 H 1 0.974 0.020 . 1 . . . . 59 VAL HG1 . 15948 1 719 . 1 1 59 59 VAL HG13 H 1 0.974 0.020 . 1 . . . . 59 VAL HG1 . 15948 1 720 . 1 1 59 59 VAL HG21 H 1 0.938 0.020 . 1 . . . . 59 VAL HG2 . 15948 1 721 . 1 1 59 59 VAL HG22 H 1 0.938 0.020 . 1 . . . . 59 VAL HG2 . 15948 1 722 . 1 1 59 59 VAL HG23 H 1 0.938 0.020 . 1 . . . . 59 VAL HG2 . 15948 1 723 . 1 1 59 59 VAL C C 13 176.587 0.3 . 1 . . . . 59 VAL C . 15948 1 724 . 1 1 59 59 VAL CA C 13 62.960 0.3 . 1 . . . . 59 VAL CA . 15948 1 725 . 1 1 59 59 VAL CB C 13 32.348 0.3 . 1 . . . . 59 VAL CB . 15948 1 726 . 1 1 59 59 VAL CG1 C 13 22.957 0.3 . 1 . . . . 59 VAL CG1 . 15948 1 727 . 1 1 59 59 VAL CG2 C 13 21.273 0.3 . 1 . . . . 59 VAL CG2 . 15948 1 728 . 1 1 59 59 VAL N N 15 119.683 0.3 . 1 . . . . 59 VAL N . 15948 1 729 . 1 1 60 60 ASP H H 1 8.540 0.020 . 1 . . . . 60 ASP H . 15948 1 730 . 1 1 60 60 ASP HA H 1 4.491 0.020 . 1 . . . . 60 ASP HA . 15948 1 731 . 1 1 60 60 ASP HB2 H 1 2.574 0.020 . 2 . . . . 60 ASP HB2 . 15948 1 732 . 1 1 60 60 ASP HB3 H 1 2.394 0.020 . 2 . . . . 60 ASP HB3 . 15948 1 733 . 1 1 60 60 ASP C C 13 176.437 0.3 . 1 . . . . 60 ASP C . 15948 1 734 . 1 1 60 60 ASP CA C 13 55.879 0.3 . 1 . . . . 60 ASP CA . 15948 1 735 . 1 1 60 60 ASP CB C 13 41.332 0.3 . 1 . . . . 60 ASP CB . 15948 1 736 . 1 1 60 60 ASP N N 15 126.513 0.3 . 1 . . . . 60 ASP N . 15948 1 737 . 1 1 61 61 ILE H H 1 8.325 0.020 . 1 . . . . 61 ILE H . 15948 1 738 . 1 1 61 61 ILE HA H 1 3.968 0.020 . 1 . . . . 61 ILE HA . 15948 1 739 . 1 1 61 61 ILE HB H 1 1.659 0.020 . 1 . . . . 61 ILE HB . 15948 1 740 . 1 1 61 61 ILE HD11 H 1 0.701 0.020 . 1 . . . . 61 ILE HD1 . 15948 1 741 . 1 1 61 61 ILE HD12 H 1 0.701 0.020 . 1 . . . . 61 ILE HD1 . 15948 1 742 . 1 1 61 61 ILE HD13 H 1 0.701 0.020 . 1 . . . . 61 ILE HD1 . 15948 1 743 . 1 1 61 61 ILE HG12 H 1 1.412 0.020 . 1 . . . . 61 ILE HG12 . 15948 1 744 . 1 1 61 61 ILE HG13 H 1 1.412 0.020 . 1 . . . . 61 ILE HG13 . 15948 1 745 . 1 1 61 61 ILE HG21 H 1 0.843 0.020 . 1 . . . . 61 ILE HG2 . 15948 1 746 . 1 1 61 61 ILE HG22 H 1 0.843 0.020 . 1 . . . . 61 ILE HG2 . 15948 1 747 . 1 1 61 61 ILE HG23 H 1 0.843 0.020 . 1 . . . . 61 ILE HG2 . 15948 1 748 . 1 1 61 61 ILE C C 13 176.000 0.3 . 1 . . . . 61 ILE C . 15948 1 749 . 1 1 61 61 ILE CA C 13 62.294 0.3 . 1 . . . . 61 ILE CA . 15948 1 750 . 1 1 61 61 ILE CB C 13 38.483 0.3 . 1 . . . . 61 ILE CB . 15948 1 751 . 1 1 61 61 ILE CD1 C 13 13.886 0.3 . 1 . . . . 61 ILE CD1 . 15948 1 752 . 1 1 61 61 ILE CG1 C 13 28.159 0.3 . 1 . . . . 61 ILE CG1 . 15948 1 753 . 1 1 61 61 ILE CG2 C 13 17.875 0.3 . 1 . . . . 61 ILE CG2 . 15948 1 754 . 1 1 61 61 ILE N N 15 122.387 0.3 . 1 . . . . 61 ILE N . 15948 1 755 . 1 1 62 62 GLU H H 1 8.466 0.020 . 1 . . . . 62 GLU H . 15948 1 756 . 1 1 62 62 GLU HA H 1 4.265 0.020 . 1 . . . . 62 GLU HA . 15948 1 757 . 1 1 62 62 GLU HB2 H 1 1.838 0.020 . 1 . . . . 62 GLU HB2 . 15948 1 758 . 1 1 62 62 GLU HB3 H 1 1.838 0.020 . 1 . . . . 62 GLU HB3 . 15948 1 759 . 1 1 62 62 GLU HG2 H 1 2.139 0.020 . 1 . . . . 62 GLU HG2 . 15948 1 760 . 1 1 62 62 GLU HG3 H 1 2.139 0.020 . 1 . . . . 62 GLU HG3 . 15948 1 761 . 1 1 62 62 GLU C C 13 175.838 0.3 . 1 . . . . 62 GLU C . 15948 1 762 . 1 1 62 62 GLU CA C 13 56.441 0.3 . 1 . . . . 62 GLU CA . 15948 1 763 . 1 1 62 62 GLU CB C 13 30.285 0.3 . 1 . . . . 62 GLU CB . 15948 1 764 . 1 1 62 62 GLU CG C 13 36.379 0.3 . 1 . . . . 62 GLU CG . 15948 1 765 . 1 1 62 62 GLU N N 15 122.256 0.3 . 1 . . . . 62 GLU N . 15948 1 766 . 1 1 63 63 ALA H H 1 8.245 0.020 . 1 . . . . 63 ALA H . 15948 1 767 . 1 1 63 63 ALA HA H 1 4.149 0.020 . 1 . . . . 63 ALA HA . 15948 1 768 . 1 1 63 63 ALA HB1 H 1 1.258 0.020 . 1 . . . . 63 ALA HB . 15948 1 769 . 1 1 63 63 ALA HB2 H 1 1.258 0.020 . 1 . . . . 63 ALA HB . 15948 1 770 . 1 1 63 63 ALA HB3 H 1 1.258 0.020 . 1 . . . . 63 ALA HB . 15948 1 771 . 1 1 63 63 ALA C C 13 177.422 0.3 . 1 . . . . 63 ALA C . 15948 1 772 . 1 1 63 63 ALA CA C 13 52.485 0.3 . 1 . . . . 63 ALA CA . 15948 1 773 . 1 1 63 63 ALA CB C 13 19.247 0.3 . 1 . . . . 63 ALA CB . 15948 1 774 . 1 1 63 63 ALA N N 15 124.987 0.3 . 1 . . . . 63 ALA N . 15948 1 775 . 1 1 64 64 GLN H H 1 8.398 0.020 . 1 . . . . 64 GLN H . 15948 1 776 . 1 1 64 64 GLN HA H 1 4.199 0.020 . 1 . . . . 64 GLN HA . 15948 1 777 . 1 1 64 64 GLN HB2 H 1 1.872 0.020 . 1 . . . . 64 GLN HB2 . 15948 1 778 . 1 1 64 64 GLN HB3 H 1 1.872 0.020 . 1 . . . . 64 GLN HB3 . 15948 1 779 . 1 1 64 64 GLN HE21 H 1 7.574 0.020 . 1 . . . . 64 GLN HE21 . 15948 1 780 . 1 1 64 64 GLN HE22 H 1 6.881 0.020 . 1 . . . . 64 GLN HE22 . 15948 1 781 . 1 1 64 64 GLN HG2 H 1 2.232 0.020 . 1 . . . . 64 GLN HG2 . 15948 1 782 . 1 1 64 64 GLN HG3 H 1 2.232 0.020 . 1 . . . . 64 GLN HG3 . 15948 1 783 . 1 1 64 64 GLN C C 13 175.709 0.3 . 1 . . . . 64 GLN C . 15948 1 784 . 1 1 64 64 GLN CA C 13 55.293 0.3 . 1 . . . . 64 GLN CA . 15948 1 785 . 1 1 64 64 GLN CB C 13 29.509 0.3 . 1 . . . . 64 GLN CB . 15948 1 786 . 1 1 64 64 GLN CG C 13 33.846 0.3 . 1 . . . . 64 GLN CG . 15948 1 787 . 1 1 64 64 GLN N N 15 119.772 0.3 . 1 . . . . 64 GLN N . 15948 1 788 . 1 1 64 64 GLN NE2 N 15 112.911 0.3 . 1 . . . . 64 GLN NE2 . 15948 1 789 . 1 1 65 65 LEU H H 1 8.407 0.020 . 1 . . . . 65 LEU H . 15948 1 790 . 1 1 65 65 LEU HA H 1 4.586 0.020 . 1 . . . . 65 LEU HA . 15948 1 791 . 1 1 65 65 LEU HB2 H 1 1.468 0.020 . 1 . . . . 65 LEU HB2 . 15948 1 792 . 1 1 65 65 LEU HB3 H 1 1.468 0.020 . 1 . . . . 65 LEU HB3 . 15948 1 793 . 1 1 65 65 LEU HD11 H 1 0.817 0.020 . 1 . . . . 65 LEU HD1 . 15948 1 794 . 1 1 65 65 LEU HD12 H 1 0.817 0.020 . 1 . . . . 65 LEU HD1 . 15948 1 795 . 1 1 65 65 LEU HD13 H 1 0.817 0.020 . 1 . . . . 65 LEU HD1 . 15948 1 796 . 1 1 65 65 LEU HD21 H 1 0.790 0.020 . 1 . . . . 65 LEU HD2 . 15948 1 797 . 1 1 65 65 LEU HD22 H 1 0.790 0.020 . 1 . . . . 65 LEU HD2 . 15948 1 798 . 1 1 65 65 LEU HD23 H 1 0.790 0.020 . 1 . . . . 65 LEU HD2 . 15948 1 799 . 1 1 65 65 LEU HG H 1 1.568 0.020 . 1 . . . . 65 LEU HG . 15948 1 800 . 1 1 65 65 LEU CA C 13 53.044 0.3 . 1 . . . . 65 LEU CA . 15948 1 801 . 1 1 65 65 LEU CB C 13 41.416 0.3 . 1 . . . . 65 LEU CB . 15948 1 802 . 1 1 65 65 LEU CD1 C 13 25.135 0.3 . 1 . . . . 65 LEU CD1 . 15948 1 803 . 1 1 65 65 LEU CD2 C 13 23.337 0.3 . 1 . . . . 65 LEU CD2 . 15948 1 804 . 1 1 65 65 LEU CG C 13 27.145 0.3 . 1 . . . . 65 LEU CG . 15948 1 805 . 1 1 65 65 LEU N N 15 125.450 0.3 . 1 . . . . 65 LEU N . 15948 1 806 . 1 1 66 66 PRO HA H 1 4.335 0.020 . 1 . . . . 66 PRO HA . 15948 1 807 . 1 1 66 66 PRO HB2 H 1 2.201 0.020 . 2 . . . . 66 PRO HB2 . 15948 1 808 . 1 1 66 66 PRO HB3 H 1 1.827 0.020 . 2 . . . . 66 PRO HB3 . 15948 1 809 . 1 1 66 66 PRO HD2 H 1 3.731 0.020 . 2 . . . . 66 PRO HD2 . 15948 1 810 . 1 1 66 66 PRO HD3 H 1 3.538 0.020 . 2 . . . . 66 PRO HD3 . 15948 1 811 . 1 1 66 66 PRO HG2 H 1 1.921 0.020 . 1 . . . . 66 PRO HG2 . 15948 1 812 . 1 1 66 66 PRO HG3 H 1 1.921 0.020 . 1 . . . . 66 PRO HG3 . 15948 1 813 . 1 1 66 66 PRO C C 13 176.919 0.3 . 1 . . . . 66 PRO C . 15948 1 814 . 1 1 66 66 PRO CA C 13 63.124 0.3 . 1 . . . . 66 PRO CA . 15948 1 815 . 1 1 66 66 PRO CB C 13 31.963 0.3 . 1 . . . . 66 PRO CB . 15948 1 816 . 1 1 66 66 PRO CD C 13 50.665 0.3 . 1 . . . . 66 PRO CD . 15948 1 817 . 1 1 66 66 PRO CG C 13 27.412 0.3 . 1 . . . . 66 PRO CG . 15948 1 818 . 1 1 67 67 SER H H 1 8.394 0.020 . 1 . . . . 67 SER H . 15948 1 819 . 1 1 67 67 SER HA H 1 3.746 0.020 . 1 . . . . 67 SER HA . 15948 1 820 . 1 1 67 67 SER HB2 H 1 4.396 0.020 . 1 . . . . 67 SER HB2 . 15948 1 821 . 1 1 67 67 SER HB3 H 1 4.396 0.020 . 1 . . . . 67 SER HB3 . 15948 1 822 . 1 1 67 67 SER C C 13 174.553 0.3 . 1 . . . . 67 SER C . 15948 1 823 . 1 1 67 67 SER CA C 13 58.328 0.3 . 1 . . . . 67 SER CA . 15948 1 824 . 1 1 67 67 SER CB C 13 63.831 0.3 . 1 . . . . 67 SER CB . 15948 1 825 . 1 1 67 67 SER N N 15 116.049 0.3 . 1 . . . . 67 SER N . 15948 1 826 . 1 1 68 68 GLU H H 1 8.589 0.020 . 1 . . . . 68 GLU H . 15948 1 827 . 1 1 68 68 GLU CB C 13 32.725 0.3 . 1 . . . . 68 GLU CB . 15948 1 828 . 1 1 68 68 GLU N N 15 122.359 0.3 . 1 . . . . 68 GLU N . 15948 1 stop_ save_