data_11326 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11326 _Entry.Title ; Solution structure of the RING domain of the human RING finger protein 146 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-10 _Entry.Accession_date 2010-08-10 _Entry.Last_release_date 2011-08-19 _Entry.Original_release_date 2011-08-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _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 K. Miyamoto . . . 11326 2 T. Kigawa . . . 11326 3 M. Sato . . . 11326 4 S. Koshiba . . . 11326 5 M. Inoue . . . 11326 6 S. Yokoyama . . . 11326 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11326 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11326 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 266 11326 '15N chemical shifts' 56 11326 '1H chemical shifts' 422 11326 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-08-19 2010-08-10 original author . 11326 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2D8T 'BMRB Entry Tracking System' 11326 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11326 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the RING domain of the human RING finger protein 146' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 K. Miyamoto . . . 11326 1 2 T. Kigawa . . . 11326 1 3 M. Sato . . . 11326 1 4 S. Koshiba . . . 11326 1 5 M. Inoue . . . 11326 1 6 S. Yokoyama . . . 11326 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11326 _Assembly.ID 1 _Assembly.Name 'RING finger protein 146' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'RING domain' 1 $entity_1 A . yes native no no . . . 11326 1 2 'ZINC ION no.1' 2 $ZN B . no native no no . . . 11326 1 3 'ZINC ION no.2' 2 $ZN C . no native no no . . . 11326 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 domain' 1 CYS 18 18 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 18 CYS SG . . . . ZN 11326 1 2 coordination single . 1 'RING domain' 1 CYS 21 21 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 21 CYS SG . . . . ZN 11326 1 3 coordination single . 1 'RING domain' 1 CYS 38 38 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 38 CYS SG . . . . ZN 11326 1 4 coordination single . 1 'RING domain' 1 CYS 41 41 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 41 CYS SG . . . . ZN 11326 1 5 coordination single . 1 'RING domain' 1 CYS 33 33 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 33 CYS SG . . . . ZN 11326 1 6 coordination single . 1 'RING domain' 1 HIS 35 35 ND1 . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 35 HIS ND1 . . . . ZN 11326 1 7 coordination single . 1 'RING domain' 1 CYS 52 52 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 52 CYS SG . . . . ZN 11326 1 8 coordination single . 1 'RING domain' 1 CYS 55 55 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 55 CYS SG . . . . ZN 11326 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 CYS 52 52 HG . 52 CYS HG 11326 1 . . 1 1 CYS 55 55 HG . 55 CYS HG 11326 1 . . 1 1 CYS 33 33 HG . 33 CYS HG 11326 1 . . 1 1 HIS 35 35 HD1 . 35 HIS HD1 11326 1 . . 1 1 CYS 38 38 HG . 38 CYS HG 11326 1 . . 1 1 CYS 41 41 HG . 41 CYS HG 11326 1 . . 1 1 CYS 18 18 HG . 18 CYS HG 11326 1 . . 1 1 CYS 21 21 HG . 21 CYS HG 11326 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2d8t . . . . . . 11326 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11326 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'RING domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGNTAPSLTVPECAI CLQTCVHPVSLPCKHVFCYL CVKGASWLGKRCALCRQEIP EDFLDSGPSSG ; _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 no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 71 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _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 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 2D8T . "Solution Structure Of The Ring Domain Of The Human Ring Finger Protein 146" . . . . . 100.00 71 100.00 100.00 1.48e-42 . . . . 11326 1 2 no PDB 4QPL . "Crystal Structure Of Rnf146(ring-wwe)/ubch5a/iso-adpr Complex" . . . . . 77.46 155 98.18 98.18 3.04e-31 . . . . 11326 1 3 no DBJ BAB28015 . "unnamed protein product [Mus musculus]" . . . . . 81.69 359 100.00 100.00 7.01e-34 . . . . 11326 1 4 no DBJ BAB55108 . "unnamed protein product [Homo sapiens]" . . . . . 81.69 358 98.28 98.28 7.43e-33 . . . . 11326 1 5 no DBJ BAB55196 . "unnamed protein product [Homo sapiens]" . . . . . 81.69 359 100.00 100.00 4.31e-34 . . . . 11326 1 6 no DBJ BAB55359 . "unnamed protein product [Homo sapiens]" . . . . . 81.69 358 98.28 100.00 9.83e-34 . . . . 11326 1 7 no DBJ BAE31549 . "unnamed protein product [Mus musculus]" . . . . . 81.69 359 100.00 100.00 6.73e-34 . . . . 11326 1 8 no EMBL CAB66763 . "hypothetical protein [Homo sapiens]" . . . . . 81.69 358 100.00 100.00 4.43e-34 . . . . 11326 1 9 no EMBL CAC85986 . "dactylidin [Homo sapiens]" . . . . . 81.69 358 100.00 100.00 4.43e-34 . . . . 11326 1 10 no EMBL CAG38545 . "RNF146 [Homo sapiens]" . . . . . 81.69 358 100.00 100.00 4.21e-34 . . . . 11326 1 11 no EMBL CAH89794 . "hypothetical protein [Pongo abelii]" . . . . . 81.69 358 100.00 100.00 5.02e-34 . . . . 11326 1 12 no EMBL CAH90287 . "hypothetical protein [Pongo abelii]" . . . . . 81.69 357 100.00 100.00 4.80e-34 . . . . 11326 1 13 no GB AAH08235 . "Ring finger protein 146 [Homo sapiens]" . . . . . 81.69 358 100.00 100.00 4.43e-34 . . . . 11326 1 14 no GB AAH50795 . "Ring finger protein 146 [Mus musculus]" . . . . . 81.69 359 100.00 100.00 7.01e-34 . . . . 11326 1 15 no GB AAH83675 . "Ring finger protein 146 [Rattus norvegicus]" . . . . . 81.69 352 100.00 100.00 8.14e-34 . . . . 11326 1 16 no GB AAI02140 . "Ring finger protein 146 [Bos taurus]" . . . . . 81.69 347 100.00 100.00 7.19e-34 . . . . 11326 1 17 no GB AIC52443 . "RNF146, partial [synthetic construct]" . . . . . 81.69 358 100.00 100.00 4.43e-34 . . . . 11326 1 18 no REF NP_001012060 . "E3 ubiquitin-protein ligase RNF146 [Rattus norvegicus]" . . . . . 81.69 355 100.00 100.00 6.98e-34 . . . . 11326 1 19 no REF NP_001070448 . "E3 ubiquitin-protein ligase RNF146-B [Bos taurus]" . . . . . 81.69 347 100.00 100.00 7.19e-34 . . . . 11326 1 20 no REF NP_001103666 . "E3 ubiquitin-protein ligase RNF146 [Mus musculus]" . . . . . 81.69 359 100.00 100.00 7.01e-34 . . . . 11326 1 21 no REF NP_001103667 . "E3 ubiquitin-protein ligase RNF146 [Mus musculus]" . . . . . 81.69 359 100.00 100.00 7.01e-34 . . . . 11326 1 22 no REF NP_001103668 . "E3 ubiquitin-protein ligase RNF146 [Mus musculus]" . . . . . 81.69 359 100.00 100.00 7.01e-34 . . . . 11326 1 23 no SP E1B7X3 . "RecName: Full=E3 ubiquitin-protein ligase RNF146-A; AltName: Full=RING finger protein 146-A" . . . . . 81.69 346 100.00 100.00 7.08e-34 . . . . 11326 1 24 no SP Q2PFU6 . "RecName: Full=E3 ubiquitin-protein ligase RNF146; AltName: Full=Iduna; AltName: Full=RING finger protein 146" . . . . . 81.69 360 100.00 100.00 3.86e-34 . . . . 11326 1 25 no SP Q3T139 . "RecName: Full=E3 ubiquitin-protein ligase RNF146-B; AltName: Full=RING finger protein 146-B" . . . . . 81.69 347 100.00 100.00 7.19e-34 . . . . 11326 1 26 no SP Q5REL3 . "RecName: Full=E3 ubiquitin-protein ligase RNF146; AltName: Full=Iduna; AltName: Full=RING finger protein 146" . . . . . 81.69 358 100.00 100.00 5.02e-34 . . . . 11326 1 27 no SP Q5XIK5 . "RecName: Full=E3 ubiquitin-protein ligase RNF146; AltName: Full=Iduna; AltName: Full=RING finger protein 146" . . . . . 81.69 352 100.00 100.00 8.14e-34 . . . . 11326 1 28 no TPG DAA20901 . "TPA: ring finger protein 146-like [Bos taurus]" . . . . . 81.69 346 100.00 100.00 7.08e-34 . . . . 11326 1 29 no TPG DAA26356 . "TPA: ring finger protein 146 [Bos taurus]" . . . . . 81.69 347 100.00 100.00 7.19e-34 . . . . 11326 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RING domain' . 11326 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 . GLY . 11326 1 2 . SER . 11326 1 3 . SER . 11326 1 4 . GLY . 11326 1 5 . SER . 11326 1 6 . SER . 11326 1 7 . GLY . 11326 1 8 . ASN . 11326 1 9 . THR . 11326 1 10 . ALA . 11326 1 11 . PRO . 11326 1 12 . SER . 11326 1 13 . LEU . 11326 1 14 . THR . 11326 1 15 . VAL . 11326 1 16 . PRO . 11326 1 17 . GLU . 11326 1 18 . CYS . 11326 1 19 . ALA . 11326 1 20 . ILE . 11326 1 21 . CYS . 11326 1 22 . LEU . 11326 1 23 . GLN . 11326 1 24 . THR . 11326 1 25 . CYS . 11326 1 26 . VAL . 11326 1 27 . HIS . 11326 1 28 . PRO . 11326 1 29 . VAL . 11326 1 30 . SER . 11326 1 31 . LEU . 11326 1 32 . PRO . 11326 1 33 . CYS . 11326 1 34 . LYS . 11326 1 35 . HIS . 11326 1 36 . VAL . 11326 1 37 . PHE . 11326 1 38 . CYS . 11326 1 39 . TYR . 11326 1 40 . LEU . 11326 1 41 . CYS . 11326 1 42 . VAL . 11326 1 43 . LYS . 11326 1 44 . GLY . 11326 1 45 . ALA . 11326 1 46 . SER . 11326 1 47 . TRP . 11326 1 48 . LEU . 11326 1 49 . GLY . 11326 1 50 . LYS . 11326 1 51 . ARG . 11326 1 52 . CYS . 11326 1 53 . ALA . 11326 1 54 . LEU . 11326 1 55 . CYS . 11326 1 56 . ARG . 11326 1 57 . GLN . 11326 1 58 . GLU . 11326 1 59 . ILE . 11326 1 60 . PRO . 11326 1 61 . GLU . 11326 1 62 . ASP . 11326 1 63 . PHE . 11326 1 64 . LEU . 11326 1 65 . ASP . 11326 1 66 . SER . 11326 1 67 . GLY . 11326 1 68 . PRO . 11326 1 69 . SER . 11326 1 70 . SER . 11326 1 71 . GLY . 11326 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 11326 1 . SER 2 2 11326 1 . SER 3 3 11326 1 . GLY 4 4 11326 1 . SER 5 5 11326 1 . SER 6 6 11326 1 . GLY 7 7 11326 1 . ASN 8 8 11326 1 . THR 9 9 11326 1 . ALA 10 10 11326 1 . PRO 11 11 11326 1 . SER 12 12 11326 1 . LEU 13 13 11326 1 . THR 14 14 11326 1 . VAL 15 15 11326 1 . PRO 16 16 11326 1 . GLU 17 17 11326 1 . CYS 18 18 11326 1 . ALA 19 19 11326 1 . ILE 20 20 11326 1 . CYS 21 21 11326 1 . LEU 22 22 11326 1 . GLN 23 23 11326 1 . THR 24 24 11326 1 . CYS 25 25 11326 1 . VAL 26 26 11326 1 . HIS 27 27 11326 1 . PRO 28 28 11326 1 . VAL 29 29 11326 1 . SER 30 30 11326 1 . LEU 31 31 11326 1 . PRO 32 32 11326 1 . CYS 33 33 11326 1 . LYS 34 34 11326 1 . HIS 35 35 11326 1 . VAL 36 36 11326 1 . PHE 37 37 11326 1 . CYS 38 38 11326 1 . TYR 39 39 11326 1 . LEU 40 40 11326 1 . CYS 41 41 11326 1 . VAL 42 42 11326 1 . LYS 43 43 11326 1 . GLY 44 44 11326 1 . ALA 45 45 11326 1 . SER 46 46 11326 1 . TRP 47 47 11326 1 . LEU 48 48 11326 1 . GLY 49 49 11326 1 . LYS 50 50 11326 1 . ARG 51 51 11326 1 . CYS 52 52 11326 1 . ALA 53 53 11326 1 . LEU 54 54 11326 1 . CYS 55 55 11326 1 . ARG 56 56 11326 1 . GLN 57 57 11326 1 . GLU 58 58 11326 1 . ILE 59 59 11326 1 . PRO 60 60 11326 1 . GLU 61 61 11326 1 . ASP 62 62 11326 1 . PHE 63 63 11326 1 . LEU 64 64 11326 1 . ASP 65 65 11326 1 . SER 66 66 11326 1 . GLY 67 67 11326 1 . PRO 68 68 11326 1 . SER 69 69 11326 1 . SER 70 70 11326 1 . GLY 71 71 11326 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11326 _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 . 11326 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 11326 _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 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11326 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 11326 _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 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P050302-12 . . . . . . 11326 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 11326 _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 no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-12-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _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 . _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 no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _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 Tue Jun 9 16:52:42 2009 ; _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 1.02b 11326 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11326 ZN [Zn++] SMILES CACTVS 3.341 11326 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11326 ZN [Zn+2] SMILES ACDLabs 10.04 11326 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11326 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11326 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 11326 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11326 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 . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 11326 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11326 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.34mM RING domain U-13C, {15N;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.05mM {ZNCl2;} 1.0mM {IDA;} 90% H2O, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RING domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.34 . . mM . . . . 11326 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11326 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11326 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11326 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11326 1 6 ZnCl2 'natural abundance' . . . . . salt 0.05 . . mM . . . . 11326 1 7 IDA 'natural abundance' . . . . . salt 1.0 . . mM . . . . 11326 1 8 H2O . . . . . . solvent 90 . . % . . . . 11326 1 9 D2O . . . . . . solvent 10 . . % . . . . 11326 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 11326 _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' 120 0.1 mM 11326 1 pH 7.0 0.05 pH 11326 1 pressure 1 0.001 atm 11326 1 temperature 296 0.1 K 11326 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11326 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11326 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11326 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11326 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11326 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11326 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11326 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B. A.' . . 11326 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11326 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11326 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9321 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11326 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11326 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11326 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11326 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11326 5 'structure solution' 11326 5 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 11326 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11326 _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 . 800 . . . 11326 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 11326 _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 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11326 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11326 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11326 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 0.0 . indirect 0.251449530 . . . . . . . . . 11326 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11326 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11326 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11326 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11326 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11326 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 $XWINNMR . . 11326 1 2 $NMRPipe . . 11326 1 3 $NMRView . . 11326 1 4 $Kujira . . 11326 1 5 $CYANA . . 11326 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 8 8 ASN HA H 1 4.791 0.030 . 1 . . . . 8 ASN HA . 11326 1 2 . 1 1 8 8 ASN HB2 H 1 2.743 0.030 . 2 . . . . 8 ASN HB2 . 11326 1 3 . 1 1 8 8 ASN HB3 H 1 2.833 0.030 . 2 . . . . 8 ASN HB3 . 11326 1 4 . 1 1 8 8 ASN HD21 H 1 6.912 0.030 . 2 . . . . 8 ASN HD21 . 11326 1 5 . 1 1 8 8 ASN HD22 H 1 7.576 0.030 . 2 . . . . 8 ASN HD22 . 11326 1 6 . 1 1 8 8 ASN C C 13 175.435 0.300 . 1 . . . . 8 ASN C . 11326 1 7 . 1 1 8 8 ASN CA C 13 53.178 0.300 . 1 . . . . 8 ASN CA . 11326 1 8 . 1 1 8 8 ASN CB C 13 38.899 0.300 . 1 . . . . 8 ASN CB . 11326 1 9 . 1 1 8 8 ASN ND2 N 15 112.795 0.300 . 1 . . . . 8 ASN ND2 . 11326 1 10 . 1 1 9 9 THR H H 1 8.155 0.030 . 1 . . . . 9 THR H . 11326 1 11 . 1 1 9 9 THR HA H 1 4.302 0.030 . 1 . . . . 9 THR HA . 11326 1 12 . 1 1 9 9 THR HB H 1 4.194 0.030 . 1 . . . . 9 THR HB . 11326 1 13 . 1 1 9 9 THR HG21 H 1 1.180 0.030 . 1 . . . . 9 THR HG2 . 11326 1 14 . 1 1 9 9 THR HG22 H 1 1.180 0.030 . 1 . . . . 9 THR HG2 . 11326 1 15 . 1 1 9 9 THR HG23 H 1 1.180 0.030 . 1 . . . . 9 THR HG2 . 11326 1 16 . 1 1 9 9 THR C C 13 173.986 0.300 . 1 . . . . 9 THR C . 11326 1 17 . 1 1 9 9 THR CA C 13 61.685 0.300 . 1 . . . . 9 THR CA . 11326 1 18 . 1 1 9 9 THR CB C 13 69.853 0.300 . 1 . . . . 9 THR CB . 11326 1 19 . 1 1 9 9 THR CG2 C 13 21.645 0.300 . 1 . . . . 9 THR CG2 . 11326 1 20 . 1 1 9 9 THR N N 15 114.725 0.300 . 1 . . . . 9 THR N . 11326 1 21 . 1 1 10 10 ALA H H 1 8.331 0.030 . 1 . . . . 10 ALA H . 11326 1 22 . 1 1 10 10 ALA HA H 1 4.586 0.030 . 1 . . . . 10 ALA HA . 11326 1 23 . 1 1 10 10 ALA HB1 H 1 1.356 0.030 . 1 . . . . 10 ALA HB . 11326 1 24 . 1 1 10 10 ALA HB2 H 1 1.356 0.030 . 1 . . . . 10 ALA HB . 11326 1 25 . 1 1 10 10 ALA HB3 H 1 1.356 0.030 . 1 . . . . 10 ALA HB . 11326 1 26 . 1 1 10 10 ALA C C 13 175.481 0.300 . 1 . . . . 10 ALA C . 11326 1 27 . 1 1 10 10 ALA CA C 13 50.604 0.300 . 1 . . . . 10 ALA CA . 11326 1 28 . 1 1 10 10 ALA CB C 13 18.245 0.300 . 1 . . . . 10 ALA CB . 11326 1 29 . 1 1 10 10 ALA N N 15 128.144 0.300 . 1 . . . . 10 ALA N . 11326 1 30 . 1 1 11 11 PRO HA H 1 4.420 0.030 . 1 . . . . 11 PRO HA . 11326 1 31 . 1 1 11 11 PRO HB2 H 1 2.282 0.030 . 2 . . . . 11 PRO HB2 . 11326 1 32 . 1 1 11 11 PRO HB3 H 1 1.892 0.030 . 2 . . . . 11 PRO HB3 . 11326 1 33 . 1 1 11 11 PRO HD2 H 1 3.644 0.030 . 2 . . . . 11 PRO HD2 . 11326 1 34 . 1 1 11 11 PRO HD3 H 1 3.793 0.030 . 2 . . . . 11 PRO HD3 . 11326 1 35 . 1 1 11 11 PRO HG2 H 1 1.969 0.030 . 2 . . . . 11 PRO HG2 . 11326 1 36 . 1 1 11 11 PRO HG3 H 1 1.850 0.030 . 2 . . . . 11 PRO HG3 . 11326 1 37 . 1 1 11 11 PRO C C 13 176.927 0.300 . 1 . . . . 11 PRO C . 11326 1 38 . 1 1 11 11 PRO CA C 13 63.025 0.300 . 1 . . . . 11 PRO CA . 11326 1 39 . 1 1 11 11 PRO CB C 13 32.100 0.300 . 1 . . . . 11 PRO CB . 11326 1 40 . 1 1 11 11 PRO CD C 13 50.503 0.300 . 1 . . . . 11 PRO CD . 11326 1 41 . 1 1 11 11 PRO CG C 13 27.330 0.300 . 1 . . . . 11 PRO CG . 11326 1 42 . 1 1 12 12 SER H H 1 8.375 0.030 . 1 . . . . 12 SER H . 11326 1 43 . 1 1 12 12 SER HA H 1 4.415 0.030 . 1 . . . . 12 SER HA . 11326 1 44 . 1 1 12 12 SER HB2 H 1 3.838 0.030 . 1 . . . . 12 SER HB2 . 11326 1 45 . 1 1 12 12 SER HB3 H 1 3.838 0.030 . 1 . . . . 12 SER HB3 . 11326 1 46 . 1 1 12 12 SER C C 13 174.524 0.300 . 1 . . . . 12 SER C . 11326 1 47 . 1 1 12 12 SER CA C 13 58.158 0.300 . 1 . . . . 12 SER CA . 11326 1 48 . 1 1 12 12 SER CB C 13 63.751 0.300 . 1 . . . . 12 SER CB . 11326 1 49 . 1 1 12 12 SER N N 15 115.886 0.300 . 1 . . . . 12 SER N . 11326 1 50 . 1 1 13 13 LEU H H 1 8.328 0.030 . 1 . . . . 13 LEU H . 11326 1 51 . 1 1 13 13 LEU HA H 1 4.423 0.030 . 1 . . . . 13 LEU HA . 11326 1 52 . 1 1 13 13 LEU HB2 H 1 1.613 0.030 . 1 . . . . 13 LEU HB2 . 11326 1 53 . 1 1 13 13 LEU HB3 H 1 1.613 0.030 . 1 . . . . 13 LEU HB3 . 11326 1 54 . 1 1 13 13 LEU HD11 H 1 0.909 0.030 . 1 . . . . 13 LEU HD1 . 11326 1 55 . 1 1 13 13 LEU HD12 H 1 0.909 0.030 . 1 . . . . 13 LEU HD1 . 11326 1 56 . 1 1 13 13 LEU HD13 H 1 0.909 0.030 . 1 . . . . 13 LEU HD1 . 11326 1 57 . 1 1 13 13 LEU HD21 H 1 0.856 0.030 . 1 . . . . 13 LEU HD2 . 11326 1 58 . 1 1 13 13 LEU HD22 H 1 0.856 0.030 . 1 . . . . 13 LEU HD2 . 11326 1 59 . 1 1 13 13 LEU HD23 H 1 0.856 0.030 . 1 . . . . 13 LEU HD2 . 11326 1 60 . 1 1 13 13 LEU HG H 1 1.612 0.030 . 1 . . . . 13 LEU HG . 11326 1 61 . 1 1 13 13 LEU C C 13 177.388 0.300 . 1 . . . . 13 LEU C . 11326 1 62 . 1 1 13 13 LEU CA C 13 55.152 0.300 . 1 . . . . 13 LEU CA . 11326 1 63 . 1 1 13 13 LEU CB C 13 42.403 0.300 . 1 . . . . 13 LEU CB . 11326 1 64 . 1 1 13 13 LEU CD1 C 13 24.914 0.300 . 2 . . . . 13 LEU CD1 . 11326 1 65 . 1 1 13 13 LEU CD2 C 13 23.425 0.300 . 2 . . . . 13 LEU CD2 . 11326 1 66 . 1 1 13 13 LEU CG C 13 27.044 0.300 . 1 . . . . 13 LEU CG . 11326 1 67 . 1 1 13 13 LEU N N 15 124.390 0.300 . 1 . . . . 13 LEU N . 11326 1 68 . 1 1 14 14 THR H H 1 8.151 0.030 . 1 . . . . 14 THR H . 11326 1 69 . 1 1 14 14 THR HA H 1 4.296 0.030 . 1 . . . . 14 THR HA . 11326 1 70 . 1 1 14 14 THR HB H 1 4.099 0.030 . 1 . . . . 14 THR HB . 11326 1 71 . 1 1 14 14 THR HG21 H 1 1.131 0.030 . 1 . . . . 14 THR HG2 . 11326 1 72 . 1 1 14 14 THR HG22 H 1 1.131 0.030 . 1 . . . . 14 THR HG2 . 11326 1 73 . 1 1 14 14 THR HG23 H 1 1.131 0.030 . 1 . . . . 14 THR HG2 . 11326 1 74 . 1 1 14 14 THR C C 13 174.109 0.300 . 1 . . . . 14 THR C . 11326 1 75 . 1 1 14 14 THR CA C 13 61.834 0.300 . 1 . . . . 14 THR CA . 11326 1 76 . 1 1 14 14 THR CB C 13 69.869 0.300 . 1 . . . . 14 THR CB . 11326 1 77 . 1 1 14 14 THR CG2 C 13 21.702 0.300 . 1 . . . . 14 THR CG2 . 11326 1 78 . 1 1 14 14 THR N N 15 115.827 0.300 . 1 . . . . 14 THR N . 11326 1 79 . 1 1 15 15 VAL H H 1 8.249 0.030 . 1 . . . . 15 VAL H . 11326 1 80 . 1 1 15 15 VAL HA H 1 4.373 0.030 . 1 . . . . 15 VAL HA . 11326 1 81 . 1 1 15 15 VAL HB H 1 1.963 0.030 . 1 . . . . 15 VAL HB . 11326 1 82 . 1 1 15 15 VAL HG11 H 1 1.063 0.030 . 1 . . . . 15 VAL HG1 . 11326 1 83 . 1 1 15 15 VAL HG12 H 1 1.063 0.030 . 1 . . . . 15 VAL HG1 . 11326 1 84 . 1 1 15 15 VAL HG13 H 1 1.063 0.030 . 1 . . . . 15 VAL HG1 . 11326 1 85 . 1 1 15 15 VAL HG21 H 1 0.955 0.030 . 1 . . . . 15 VAL HG2 . 11326 1 86 . 1 1 15 15 VAL HG22 H 1 0.955 0.030 . 1 . . . . 15 VAL HG2 . 11326 1 87 . 1 1 15 15 VAL HG23 H 1 0.955 0.030 . 1 . . . . 15 VAL HG2 . 11326 1 88 . 1 1 15 15 VAL C C 13 174.060 0.300 . 1 . . . . 15 VAL C . 11326 1 89 . 1 1 15 15 VAL CA C 13 59.845 0.300 . 1 . . . . 15 VAL CA . 11326 1 90 . 1 1 15 15 VAL CB C 13 32.937 0.300 . 1 . . . . 15 VAL CB . 11326 1 91 . 1 1 15 15 VAL CG1 C 13 21.661 0.300 . 2 . . . . 15 VAL CG1 . 11326 1 92 . 1 1 15 15 VAL CG2 C 13 20.980 0.300 . 2 . . . . 15 VAL CG2 . 11326 1 93 . 1 1 15 15 VAL N N 15 126.277 0.300 . 1 . . . . 15 VAL N . 11326 1 94 . 1 1 16 16 PRO HA H 1 4.453 0.030 . 1 . . . . 16 PRO HA . 11326 1 95 . 1 1 16 16 PRO HB2 H 1 2.231 0.030 . 2 . . . . 16 PRO HB2 . 11326 1 96 . 1 1 16 16 PRO HB3 H 1 1.878 0.030 . 2 . . . . 16 PRO HB3 . 11326 1 97 . 1 1 16 16 PRO HD2 H 1 3.603 0.030 . 2 . . . . 16 PRO HD2 . 11326 1 98 . 1 1 16 16 PRO HD3 H 1 3.800 0.030 . 2 . . . . 16 PRO HD3 . 11326 1 99 . 1 1 16 16 PRO HG2 H 1 1.849 0.030 . 2 . . . . 16 PRO HG2 . 11326 1 100 . 1 1 16 16 PRO HG3 H 1 1.966 0.030 . 2 . . . . 16 PRO HG3 . 11326 1 101 . 1 1 16 16 PRO C C 13 175.620 0.300 . 1 . . . . 16 PRO C . 11326 1 102 . 1 1 16 16 PRO CA C 13 62.845 0.300 . 1 . . . . 16 PRO CA . 11326 1 103 . 1 1 16 16 PRO CB C 13 32.634 0.300 . 1 . . . . 16 PRO CB . 11326 1 104 . 1 1 16 16 PRO CD C 13 51.052 0.300 . 1 . . . . 16 PRO CD . 11326 1 105 . 1 1 16 16 PRO CG C 13 27.385 0.300 . 1 . . . . 16 PRO CG . 11326 1 106 . 1 1 17 17 GLU H H 1 8.249 0.030 . 1 . . . . 17 GLU H . 11326 1 107 . 1 1 17 17 GLU HA H 1 4.234 0.030 . 1 . . . . 17 GLU HA . 11326 1 108 . 1 1 17 17 GLU HB2 H 1 1.784 0.030 . 2 . . . . 17 GLU HB2 . 11326 1 109 . 1 1 17 17 GLU HB3 H 1 1.656 0.030 . 2 . . . . 17 GLU HB3 . 11326 1 110 . 1 1 17 17 GLU HG2 H 1 1.939 0.030 . 1 . . . . 17 GLU HG2 . 11326 1 111 . 1 1 17 17 GLU HG3 H 1 1.939 0.030 . 1 . . . . 17 GLU HG3 . 11326 1 112 . 1 1 17 17 GLU C C 13 175.489 0.300 . 1 . . . . 17 GLU C . 11326 1 113 . 1 1 17 17 GLU CA C 13 56.048 0.300 . 1 . . . . 17 GLU CA . 11326 1 114 . 1 1 17 17 GLU CB C 13 31.412 0.300 . 1 . . . . 17 GLU CB . 11326 1 115 . 1 1 17 17 GLU CG C 13 37.015 0.300 . 1 . . . . 17 GLU CG . 11326 1 116 . 1 1 17 17 GLU N N 15 120.222 0.300 . 1 . . . . 17 GLU N . 11326 1 117 . 1 1 18 18 CYS H H 1 8.846 0.030 . 1 . . . . 18 CYS H . 11326 1 118 . 1 1 18 18 CYS HA H 1 4.243 0.030 . 1 . . . . 18 CYS HA . 11326 1 119 . 1 1 18 18 CYS HB2 H 1 3.655 0.030 . 2 . . . . 18 CYS HB2 . 11326 1 120 . 1 1 18 18 CYS HB3 H 1 3.541 0.030 . 2 . . . . 18 CYS HB3 . 11326 1 121 . 1 1 18 18 CYS C C 13 177.770 0.300 . 1 . . . . 18 CYS C . 11326 1 122 . 1 1 18 18 CYS CA C 13 59.396 0.300 . 1 . . . . 18 CYS CA . 11326 1 123 . 1 1 18 18 CYS CB C 13 32.986 0.300 . 1 . . . . 18 CYS CB . 11326 1 124 . 1 1 18 18 CYS N N 15 129.074 0.300 . 1 . . . . 18 CYS N . 11326 1 125 . 1 1 19 19 ALA H H 1 8.835 0.030 . 1 . . . . 19 ALA H . 11326 1 126 . 1 1 19 19 ALA HA H 1 4.352 0.030 . 1 . . . . 19 ALA HA . 11326 1 127 . 1 1 19 19 ALA HB1 H 1 1.496 0.030 . 1 . . . . 19 ALA HB . 11326 1 128 . 1 1 19 19 ALA HB2 H 1 1.496 0.030 . 1 . . . . 19 ALA HB . 11326 1 129 . 1 1 19 19 ALA HB3 H 1 1.496 0.030 . 1 . . . . 19 ALA HB . 11326 1 130 . 1 1 19 19 ALA C C 13 177.425 0.300 . 1 . . . . 19 ALA C . 11326 1 131 . 1 1 19 19 ALA CA C 13 53.816 0.300 . 1 . . . . 19 ALA CA . 11326 1 132 . 1 1 19 19 ALA CB C 13 19.272 0.300 . 1 . . . . 19 ALA CB . 11326 1 133 . 1 1 19 19 ALA N N 15 130.742 0.300 . 1 . . . . 19 ALA N . 11326 1 134 . 1 1 20 20 ILE H H 1 9.264 0.030 . 1 . . . . 20 ILE H . 11326 1 135 . 1 1 20 20 ILE HA H 1 4.136 0.030 . 1 . . . . 20 ILE HA . 11326 1 136 . 1 1 20 20 ILE HB H 1 2.050 0.030 . 1 . . . . 20 ILE HB . 11326 1 137 . 1 1 20 20 ILE HD11 H 1 0.392 0.030 . 1 . . . . 20 ILE HD1 . 11326 1 138 . 1 1 20 20 ILE HD12 H 1 0.392 0.030 . 1 . . . . 20 ILE HD1 . 11326 1 139 . 1 1 20 20 ILE HD13 H 1 0.392 0.030 . 1 . . . . 20 ILE HD1 . 11326 1 140 . 1 1 20 20 ILE HG12 H 1 0.922 0.030 . 2 . . . . 20 ILE HG12 . 11326 1 141 . 1 1 20 20 ILE HG13 H 1 1.608 0.030 . 2 . . . . 20 ILE HG13 . 11326 1 142 . 1 1 20 20 ILE HG21 H 1 0.998 0.030 . 1 . . . . 20 ILE HG2 . 11326 1 143 . 1 1 20 20 ILE HG22 H 1 0.998 0.030 . 1 . . . . 20 ILE HG2 . 11326 1 144 . 1 1 20 20 ILE HG23 H 1 0.998 0.030 . 1 . . . . 20 ILE HG2 . 11326 1 145 . 1 1 20 20 ILE C C 13 176.561 0.300 . 1 . . . . 20 ILE C . 11326 1 146 . 1 1 20 20 ILE CA C 13 64.391 0.300 . 1 . . . . 20 ILE CA . 11326 1 147 . 1 1 20 20 ILE CB C 13 38.911 0.300 . 1 . . . . 20 ILE CB . 11326 1 148 . 1 1 20 20 ILE CD1 C 13 13.402 0.300 . 1 . . . . 20 ILE CD1 . 11326 1 149 . 1 1 20 20 ILE CG1 C 13 28.533 0.300 . 1 . . . . 20 ILE CG1 . 11326 1 150 . 1 1 20 20 ILE CG2 C 13 17.029 0.300 . 1 . . . . 20 ILE CG2 . 11326 1 151 . 1 1 20 20 ILE N N 15 119.712 0.300 . 1 . . . . 20 ILE N . 11326 1 152 . 1 1 21 21 CYS H H 1 8.483 0.030 . 1 . . . . 21 CYS H . 11326 1 153 . 1 1 21 21 CYS HA H 1 4.791 0.030 . 1 . . . . 21 CYS HA . 11326 1 154 . 1 1 21 21 CYS HB2 H 1 3.210 0.030 . 2 . . . . 21 CYS HB2 . 11326 1 155 . 1 1 21 21 CYS HB3 H 1 3.041 0.030 . 2 . . . . 21 CYS HB3 . 11326 1 156 . 1 1 21 21 CYS C C 13 176.355 0.300 . 1 . . . . 21 CYS C . 11326 1 157 . 1 1 21 21 CYS CA C 13 59.325 0.300 . 1 . . . . 21 CYS CA . 11326 1 158 . 1 1 21 21 CYS CB C 13 31.735 0.300 . 1 . . . . 21 CYS CB . 11326 1 159 . 1 1 21 21 CYS N N 15 119.354 0.300 . 1 . . . . 21 CYS N . 11326 1 160 . 1 1 22 22 LEU H H 1 8.184 0.030 . 1 . . . . 22 LEU H . 11326 1 161 . 1 1 22 22 LEU HA H 1 4.178 0.030 . 1 . . . . 22 LEU HA . 11326 1 162 . 1 1 22 22 LEU HB2 H 1 2.096 0.030 . 2 . . . . 22 LEU HB2 . 11326 1 163 . 1 1 22 22 LEU HB3 H 1 1.623 0.030 . 2 . . . . 22 LEU HB3 . 11326 1 164 . 1 1 22 22 LEU HD11 H 1 0.871 0.030 . 1 . . . . 22 LEU HD1 . 11326 1 165 . 1 1 22 22 LEU HD12 H 1 0.871 0.030 . 1 . . . . 22 LEU HD1 . 11326 1 166 . 1 1 22 22 LEU HD13 H 1 0.871 0.030 . 1 . . . . 22 LEU HD1 . 11326 1 167 . 1 1 22 22 LEU HD21 H 1 0.811 0.030 . 1 . . . . 22 LEU HD2 . 11326 1 168 . 1 1 22 22 LEU HD22 H 1 0.811 0.030 . 1 . . . . 22 LEU HD2 . 11326 1 169 . 1 1 22 22 LEU HD23 H 1 0.811 0.030 . 1 . . . . 22 LEU HD2 . 11326 1 170 . 1 1 22 22 LEU HG H 1 1.392 0.030 . 1 . . . . 22 LEU HG . 11326 1 171 . 1 1 22 22 LEU C C 13 175.760 0.300 . 1 . . . . 22 LEU C . 11326 1 172 . 1 1 22 22 LEU CA C 13 56.523 0.300 . 1 . . . . 22 LEU CA . 11326 1 173 . 1 1 22 22 LEU CB C 13 37.973 0.300 . 1 . . . . 22 LEU CB . 11326 1 174 . 1 1 22 22 LEU CD1 C 13 25.233 0.300 . 2 . . . . 22 LEU CD1 . 11326 1 175 . 1 1 22 22 LEU CD2 C 13 22.699 0.300 . 2 . . . . 22 LEU CD2 . 11326 1 176 . 1 1 22 22 LEU CG C 13 27.272 0.300 . 1 . . . . 22 LEU CG . 11326 1 177 . 1 1 22 22 LEU N N 15 119.255 0.300 . 1 . . . . 22 LEU N . 11326 1 178 . 1 1 23 23 GLN H H 1 8.116 0.030 . 1 . . . . 23 GLN H . 11326 1 179 . 1 1 23 23 GLN HA H 1 4.714 0.030 . 1 . . . . 23 GLN HA . 11326 1 180 . 1 1 23 23 GLN HB2 H 1 2.204 0.030 . 1 . . . . 23 GLN HB2 . 11326 1 181 . 1 1 23 23 GLN HB3 H 1 2.204 0.030 . 1 . . . . 23 GLN HB3 . 11326 1 182 . 1 1 23 23 GLN HE21 H 1 7.473 0.030 . 2 . . . . 23 GLN HE21 . 11326 1 183 . 1 1 23 23 GLN HE22 H 1 6.822 0.030 . 2 . . . . 23 GLN HE22 . 11326 1 184 . 1 1 23 23 GLN HG2 H 1 2.403 0.030 . 1 . . . . 23 GLN HG2 . 11326 1 185 . 1 1 23 23 GLN HG3 H 1 2.403 0.030 . 1 . . . . 23 GLN HG3 . 11326 1 186 . 1 1 23 23 GLN C C 13 175.578 0.300 . 1 . . . . 23 GLN C . 11326 1 187 . 1 1 23 23 GLN CA C 13 53.325 0.300 . 1 . . . . 23 GLN CA . 11326 1 188 . 1 1 23 23 GLN CB C 13 31.513 0.300 . 1 . . . . 23 GLN CB . 11326 1 189 . 1 1 23 23 GLN CG C 13 34.048 0.300 . 1 . . . . 23 GLN CG . 11326 1 190 . 1 1 23 23 GLN N N 15 118.008 0.300 . 1 . . . . 23 GLN N . 11326 1 191 . 1 1 23 23 GLN NE2 N 15 113.264 0.300 . 1 . . . . 23 GLN NE2 . 11326 1 192 . 1 1 24 24 THR H H 1 8.332 0.030 . 1 . . . . 24 THR H . 11326 1 193 . 1 1 24 24 THR HA H 1 3.943 0.030 . 1 . . . . 24 THR HA . 11326 1 194 . 1 1 24 24 THR HB H 1 3.824 0.030 . 1 . . . . 24 THR HB . 11326 1 195 . 1 1 24 24 THR HG21 H 1 1.188 0.030 . 1 . . . . 24 THR HG2 . 11326 1 196 . 1 1 24 24 THR HG22 H 1 1.188 0.030 . 1 . . . . 24 THR HG2 . 11326 1 197 . 1 1 24 24 THR HG23 H 1 1.188 0.030 . 1 . . . . 24 THR HG2 . 11326 1 198 . 1 1 24 24 THR C C 13 174.550 0.300 . 1 . . . . 24 THR C . 11326 1 199 . 1 1 24 24 THR CA C 13 64.884 0.300 . 1 . . . . 24 THR CA . 11326 1 200 . 1 1 24 24 THR CB C 13 69.189 0.300 . 1 . . . . 24 THR CB . 11326 1 201 . 1 1 24 24 THR CG2 C 13 22.424 0.300 . 1 . . . . 24 THR CG2 . 11326 1 202 . 1 1 24 24 THR N N 15 117.555 0.300 . 1 . . . . 24 THR N . 11326 1 203 . 1 1 25 25 CYS H H 1 8.346 0.030 . 1 . . . . 25 CYS H . 11326 1 204 . 1 1 25 25 CYS HA H 1 5.074 0.030 . 1 . . . . 25 CYS HA . 11326 1 205 . 1 1 25 25 CYS HB2 H 1 2.685 0.030 . 2 . . . . 25 CYS HB2 . 11326 1 206 . 1 1 25 25 CYS HB3 H 1 2.183 0.030 . 2 . . . . 25 CYS HB3 . 11326 1 207 . 1 1 25 25 CYS C C 13 174.966 0.300 . 1 . . . . 25 CYS C . 11326 1 208 . 1 1 25 25 CYS CA C 13 60.417 0.300 . 1 . . . . 25 CYS CA . 11326 1 209 . 1 1 25 25 CYS CB C 13 28.882 0.300 . 1 . . . . 25 CYS CB . 11326 1 210 . 1 1 25 25 CYS N N 15 122.860 0.300 . 1 . . . . 25 CYS N . 11326 1 211 . 1 1 26 26 VAL H H 1 8.521 0.030 . 1 . . . . 26 VAL H . 11326 1 212 . 1 1 26 26 VAL HA H 1 3.930 0.030 . 1 . . . . 26 VAL HA . 11326 1 213 . 1 1 26 26 VAL HB H 1 2.055 0.030 . 1 . . . . 26 VAL HB . 11326 1 214 . 1 1 26 26 VAL HG11 H 1 0.972 0.030 . 1 . . . . 26 VAL HG1 . 11326 1 215 . 1 1 26 26 VAL HG12 H 1 0.972 0.030 . 1 . . . . 26 VAL HG1 . 11326 1 216 . 1 1 26 26 VAL HG13 H 1 0.972 0.030 . 1 . . . . 26 VAL HG1 . 11326 1 217 . 1 1 26 26 VAL HG21 H 1 0.822 0.030 . 1 . . . . 26 VAL HG2 . 11326 1 218 . 1 1 26 26 VAL HG22 H 1 0.822 0.030 . 1 . . . . 26 VAL HG2 . 11326 1 219 . 1 1 26 26 VAL HG23 H 1 0.822 0.030 . 1 . . . . 26 VAL HG2 . 11326 1 220 . 1 1 26 26 VAL C C 13 176.635 0.300 . 1 . . . . 26 VAL C . 11326 1 221 . 1 1 26 26 VAL CA C 13 62.392 0.300 . 1 . . . . 26 VAL CA . 11326 1 222 . 1 1 26 26 VAL CB C 13 32.856 0.300 . 1 . . . . 26 VAL CB . 11326 1 223 . 1 1 26 26 VAL CG1 C 13 21.318 0.300 . 2 . . . . 26 VAL CG1 . 11326 1 224 . 1 1 26 26 VAL CG2 C 13 21.022 0.300 . 2 . . . . 26 VAL CG2 . 11326 1 225 . 1 1 26 26 VAL N N 15 127.139 0.300 . 1 . . . . 26 VAL N . 11326 1 226 . 1 1 27 27 HIS H H 1 9.336 0.030 . 1 . . . . 27 HIS H . 11326 1 227 . 1 1 27 27 HIS HA H 1 4.488 0.030 . 1 . . . . 27 HIS HA . 11326 1 228 . 1 1 27 27 HIS HB2 H 1 3.318 0.030 . 2 . . . . 27 HIS HB2 . 11326 1 229 . 1 1 27 27 HIS HB3 H 1 3.397 0.030 . 2 . . . . 27 HIS HB3 . 11326 1 230 . 1 1 27 27 HIS HD2 H 1 6.974 0.030 . 1 . . . . 27 HIS HD2 . 11326 1 231 . 1 1 27 27 HIS HE1 H 1 7.792 0.030 . 1 . . . . 27 HIS HE1 . 11326 1 232 . 1 1 27 27 HIS CA C 13 56.048 0.300 . 1 . . . . 27 HIS CA . 11326 1 233 . 1 1 27 27 HIS CB C 13 29.135 0.300 . 1 . . . . 27 HIS CB . 11326 1 234 . 1 1 27 27 HIS CD2 C 13 119.047 0.300 . 1 . . . . 27 HIS CD2 . 11326 1 235 . 1 1 27 27 HIS CE1 C 13 137.313 0.300 . 1 . . . . 27 HIS CE1 . 11326 1 236 . 1 1 27 27 HIS N N 15 124.192 0.300 . 1 . . . . 27 HIS N . 11326 1 237 . 1 1 28 28 PRO HA H 1 4.502 0.030 . 1 . . . . 28 PRO HA . 11326 1 238 . 1 1 28 28 PRO HB2 H 1 1.860 0.030 . 1 . . . . 28 PRO HB2 . 11326 1 239 . 1 1 28 28 PRO HB3 H 1 1.860 0.030 . 1 . . . . 28 PRO HB3 . 11326 1 240 . 1 1 28 28 PRO HD2 H 1 3.278 0.030 . 2 . . . . 28 PRO HD2 . 11326 1 241 . 1 1 28 28 PRO HD3 H 1 3.795 0.030 . 2 . . . . 28 PRO HD3 . 11326 1 242 . 1 1 28 28 PRO HG2 H 1 2.171 0.030 . 2 . . . . 28 PRO HG2 . 11326 1 243 . 1 1 28 28 PRO HG3 H 1 2.068 0.030 . 2 . . . . 28 PRO HG3 . 11326 1 244 . 1 1 28 28 PRO CA C 13 62.774 0.300 . 1 . . . . 28 PRO CA . 11326 1 245 . 1 1 28 28 PRO CB C 13 32.257 0.300 . 1 . . . . 28 PRO CB . 11326 1 246 . 1 1 28 28 PRO CD C 13 50.849 0.300 . 1 . . . . 28 PRO CD . 11326 1 247 . 1 1 28 28 PRO CG C 13 27.725 0.300 . 1 . . . . 28 PRO CG . 11326 1 248 . 1 1 29 29 VAL H H 1 9.426 0.030 . 1 . . . . 29 VAL H . 11326 1 249 . 1 1 29 29 VAL HA H 1 4.508 0.030 . 1 . . . . 29 VAL HA . 11326 1 250 . 1 1 29 29 VAL HB H 1 2.182 0.030 . 1 . . . . 29 VAL HB . 11326 1 251 . 1 1 29 29 VAL HG11 H 1 1.166 0.030 . 1 . . . . 29 VAL HG1 . 11326 1 252 . 1 1 29 29 VAL HG12 H 1 1.166 0.030 . 1 . . . . 29 VAL HG1 . 11326 1 253 . 1 1 29 29 VAL HG13 H 1 1.166 0.030 . 1 . . . . 29 VAL HG1 . 11326 1 254 . 1 1 29 29 VAL HG21 H 1 1.125 0.030 . 1 . . . . 29 VAL HG2 . 11326 1 255 . 1 1 29 29 VAL HG22 H 1 1.125 0.030 . 1 . . . . 29 VAL HG2 . 11326 1 256 . 1 1 29 29 VAL HG23 H 1 1.125 0.030 . 1 . . . . 29 VAL HG2 . 11326 1 257 . 1 1 29 29 VAL CA C 13 60.402 0.300 . 1 . . . . 29 VAL CA . 11326 1 258 . 1 1 29 29 VAL CB C 13 35.142 0.300 . 1 . . . . 29 VAL CB . 11326 1 259 . 1 1 29 29 VAL CG1 C 13 21.010 0.300 . 2 . . . . 29 VAL CG1 . 11326 1 260 . 1 1 29 29 VAL CG2 C 13 21.834 0.300 . 2 . . . . 29 VAL CG2 . 11326 1 261 . 1 1 29 29 VAL N N 15 121.271 0.300 . 1 . . . . 29 VAL N . 11326 1 262 . 1 1 30 30 SER H H 1 8.471 0.030 . 1 . . . . 30 SER H . 11326 1 263 . 1 1 30 30 SER HA H 1 5.027 0.030 . 1 . . . . 30 SER HA . 11326 1 264 . 1 1 30 30 SER HB2 H 1 3.776 0.030 . 2 . . . . 30 SER HB2 . 11326 1 265 . 1 1 30 30 SER HB3 H 1 3.688 0.030 . 2 . . . . 30 SER HB3 . 11326 1 266 . 1 1 30 30 SER CA C 13 56.473 0.300 . 1 . . . . 30 SER CA . 11326 1 267 . 1 1 30 30 SER CB C 13 63.735 0.300 . 1 . . . . 30 SER CB . 11326 1 268 . 1 1 30 30 SER N N 15 119.367 0.300 . 1 . . . . 30 SER N . 11326 1 269 . 1 1 31 31 LEU H H 1 8.627 0.030 . 1 . . . . 31 LEU H . 11326 1 270 . 1 1 31 31 LEU HA H 1 4.528 0.030 . 1 . . . . 31 LEU HA . 11326 1 271 . 1 1 31 31 LEU HB2 H 1 1.756 0.030 . 2 . . . . 31 LEU HB2 . 11326 1 272 . 1 1 31 31 LEU HB3 H 1 2.481 0.030 . 2 . . . . 31 LEU HB3 . 11326 1 273 . 1 1 31 31 LEU HD11 H 1 1.141 0.030 . 1 . . . . 31 LEU HD1 . 11326 1 274 . 1 1 31 31 LEU HD12 H 1 1.141 0.030 . 1 . . . . 31 LEU HD1 . 11326 1 275 . 1 1 31 31 LEU HD13 H 1 1.141 0.030 . 1 . . . . 31 LEU HD1 . 11326 1 276 . 1 1 31 31 LEU HD21 H 1 0.822 0.030 . 1 . . . . 31 LEU HD2 . 11326 1 277 . 1 1 31 31 LEU HD22 H 1 0.822 0.030 . 1 . . . . 31 LEU HD2 . 11326 1 278 . 1 1 31 31 LEU HD23 H 1 0.822 0.030 . 1 . . . . 31 LEU HD2 . 11326 1 279 . 1 1 31 31 LEU HG H 1 2.037 0.030 . 1 . . . . 31 LEU HG . 11326 1 280 . 1 1 31 31 LEU CA C 13 54.259 0.300 . 1 . . . . 31 LEU CA . 11326 1 281 . 1 1 31 31 LEU CB C 13 41.484 0.300 . 1 . . . . 31 LEU CB . 11326 1 282 . 1 1 31 31 LEU CD1 C 13 26.216 0.300 . 2 . . . . 31 LEU CD1 . 11326 1 283 . 1 1 31 31 LEU CD2 C 13 22.730 0.300 . 2 . . . . 31 LEU CD2 . 11326 1 284 . 1 1 31 31 LEU CG C 13 27.952 0.300 . 1 . . . . 31 LEU CG . 11326 1 285 . 1 1 31 31 LEU N N 15 125.001 0.300 . 1 . . . . 31 LEU N . 11326 1 286 . 1 1 32 32 PRO HA H 1 4.288 0.030 . 1 . . . . 32 PRO HA . 11326 1 287 . 1 1 32 32 PRO HB2 H 1 2.384 0.030 . 2 . . . . 32 PRO HB2 . 11326 1 288 . 1 1 32 32 PRO HB3 H 1 1.883 0.030 . 2 . . . . 32 PRO HB3 . 11326 1 289 . 1 1 32 32 PRO HD2 H 1 2.986 0.030 . 2 . . . . 32 PRO HD2 . 11326 1 290 . 1 1 32 32 PRO HD3 H 1 3.659 0.030 . 2 . . . . 32 PRO HD3 . 11326 1 291 . 1 1 32 32 PRO HG2 H 1 1.876 0.030 . 2 . . . . 32 PRO HG2 . 11326 1 292 . 1 1 32 32 PRO HG3 H 1 1.794 0.030 . 2 . . . . 32 PRO HG3 . 11326 1 293 . 1 1 32 32 PRO C C 13 176.486 0.300 . 1 . . . . 32 PRO C . 11326 1 294 . 1 1 32 32 PRO CA C 13 65.818 0.300 . 1 . . . . 32 PRO CA . 11326 1 295 . 1 1 32 32 PRO CB C 13 31.442 0.300 . 1 . . . . 32 PRO CB . 11326 1 296 . 1 1 32 32 PRO CD C 13 49.733 0.300 . 1 . . . . 32 PRO CD . 11326 1 297 . 1 1 32 32 PRO CG C 13 28.186 0.300 . 1 . . . . 32 PRO CG . 11326 1 298 . 1 1 33 33 CYS H H 1 7.214 0.030 . 1 . . . . 33 CYS H . 11326 1 299 . 1 1 33 33 CYS HA H 1 4.327 0.030 . 1 . . . . 33 CYS HA . 11326 1 300 . 1 1 33 33 CYS HB2 H 1 3.057 0.030 . 2 . . . . 33 CYS HB2 . 11326 1 301 . 1 1 33 33 CYS HB3 H 1 2.559 0.030 . 2 . . . . 33 CYS HB3 . 11326 1 302 . 1 1 33 33 CYS C C 13 174.880 0.300 . 1 . . . . 33 CYS C . 11326 1 303 . 1 1 33 33 CYS CA C 13 57.797 0.300 . 1 . . . . 33 CYS CA . 11326 1 304 . 1 1 33 33 CYS CB C 13 31.306 0.300 . 1 . . . . 33 CYS CB . 11326 1 305 . 1 1 33 33 CYS N N 15 112.212 0.300 . 1 . . . . 33 CYS N . 11326 1 306 . 1 1 34 34 LYS H H 1 8.189 0.030 . 1 . . . . 34 LYS H . 11326 1 307 . 1 1 34 34 LYS HA H 1 3.684 0.030 . 1 . . . . 34 LYS HA . 11326 1 308 . 1 1 34 34 LYS HB2 H 1 1.852 0.030 . 2 . . . . 34 LYS HB2 . 11326 1 309 . 1 1 34 34 LYS HB3 H 1 2.174 0.030 . 2 . . . . 34 LYS HB3 . 11326 1 310 . 1 1 34 34 LYS HD2 H 1 1.553 0.030 . 2 . . . . 34 LYS HD2 . 11326 1 311 . 1 1 34 34 LYS HD3 H 1 1.633 0.030 . 2 . . . . 34 LYS HD3 . 11326 1 312 . 1 1 34 34 LYS HE2 H 1 2.954 0.030 . 1 . . . . 34 LYS HE2 . 11326 1 313 . 1 1 34 34 LYS HE3 H 1 2.954 0.030 . 1 . . . . 34 LYS HE3 . 11326 1 314 . 1 1 34 34 LYS HG2 H 1 1.288 0.030 . 2 . . . . 34 LYS HG2 . 11326 1 315 . 1 1 34 34 LYS HG3 H 1 1.244 0.030 . 2 . . . . 34 LYS HG3 . 11326 1 316 . 1 1 34 34 LYS C C 13 176.188 0.300 . 1 . . . . 34 LYS C . 11326 1 317 . 1 1 34 34 LYS CA C 13 58.493 0.300 . 1 . . . . 34 LYS CA . 11326 1 318 . 1 1 34 34 LYS CB C 13 28.644 0.300 . 1 . . . . 34 LYS CB . 11326 1 319 . 1 1 34 34 LYS CD C 13 28.741 0.300 . 1 . . . . 34 LYS CD . 11326 1 320 . 1 1 34 34 LYS CE C 13 42.283 0.300 . 1 . . . . 34 LYS CE . 11326 1 321 . 1 1 34 34 LYS CG C 13 25.168 0.300 . 1 . . . . 34 LYS CG . 11326 1 322 . 1 1 34 34 LYS N N 15 113.617 0.300 . 1 . . . . 34 LYS N . 11326 1 323 . 1 1 35 35 HIS H H 1 7.872 0.030 . 1 . . . . 35 HIS H . 11326 1 324 . 1 1 35 35 HIS HA H 1 4.569 0.030 . 1 . . . . 35 HIS HA . 11326 1 325 . 1 1 35 35 HIS HB2 H 1 3.405 0.030 . 2 . . . . 35 HIS HB2 . 11326 1 326 . 1 1 35 35 HIS HB3 H 1 2.818 0.030 . 2 . . . . 35 HIS HB3 . 11326 1 327 . 1 1 35 35 HIS HD2 H 1 7.230 0.030 . 1 . . . . 35 HIS HD2 . 11326 1 328 . 1 1 35 35 HIS HE1 H 1 7.762 0.030 . 1 . . . . 35 HIS HE1 . 11326 1 329 . 1 1 35 35 HIS C C 13 173.023 0.300 . 1 . . . . 35 HIS C . 11326 1 330 . 1 1 35 35 HIS CA C 13 60.205 0.300 . 1 . . . . 35 HIS CA . 11326 1 331 . 1 1 35 35 HIS CB C 13 31.639 0.300 . 1 . . . . 35 HIS CB . 11326 1 332 . 1 1 35 35 HIS CD2 C 13 118.851 0.300 . 1 . . . . 35 HIS CD2 . 11326 1 333 . 1 1 35 35 HIS CE1 C 13 137.681 0.300 . 1 . . . . 35 HIS CE1 . 11326 1 334 . 1 1 35 35 HIS N N 15 121.903 0.300 . 1 . . . . 35 HIS N . 11326 1 335 . 1 1 36 36 VAL H H 1 7.877 0.030 . 1 . . . . 36 VAL H . 11326 1 336 . 1 1 36 36 VAL HA H 1 5.044 0.030 . 1 . . . . 36 VAL HA . 11326 1 337 . 1 1 36 36 VAL HB H 1 1.639 0.030 . 1 . . . . 36 VAL HB . 11326 1 338 . 1 1 36 36 VAL HG11 H 1 0.841 0.030 . 1 . . . . 36 VAL HG1 . 11326 1 339 . 1 1 36 36 VAL HG12 H 1 0.841 0.030 . 1 . . . . 36 VAL HG1 . 11326 1 340 . 1 1 36 36 VAL HG13 H 1 0.841 0.030 . 1 . . . . 36 VAL HG1 . 11326 1 341 . 1 1 36 36 VAL HG21 H 1 0.846 0.030 . 1 . . . . 36 VAL HG2 . 11326 1 342 . 1 1 36 36 VAL HG22 H 1 0.846 0.030 . 1 . . . . 36 VAL HG2 . 11326 1 343 . 1 1 36 36 VAL HG23 H 1 0.846 0.030 . 1 . . . . 36 VAL HG2 . 11326 1 344 . 1 1 36 36 VAL C C 13 173.745 0.300 . 1 . . . . 36 VAL C . 11326 1 345 . 1 1 36 36 VAL CA C 13 60.827 0.300 . 1 . . . . 36 VAL CA . 11326 1 346 . 1 1 36 36 VAL CB C 13 34.316 0.300 . 1 . . . . 36 VAL CB . 11326 1 347 . 1 1 36 36 VAL CG1 C 13 21.984 0.300 . 2 . . . . 36 VAL CG1 . 11326 1 348 . 1 1 36 36 VAL CG2 C 13 21.454 0.300 . 2 . . . . 36 VAL CG2 . 11326 1 349 . 1 1 36 36 VAL N N 15 121.808 0.300 . 1 . . . . 36 VAL N . 11326 1 350 . 1 1 37 37 PHE H H 1 8.249 0.030 . 1 . . . . 37 PHE H . 11326 1 351 . 1 1 37 37 PHE HA H 1 5.510 0.030 . 1 . . . . 37 PHE HA . 11326 1 352 . 1 1 37 37 PHE HB2 H 1 3.502 0.030 . 2 . . . . 37 PHE HB2 . 11326 1 353 . 1 1 37 37 PHE HB3 H 1 2.409 0.030 . 2 . . . . 37 PHE HB3 . 11326 1 354 . 1 1 37 37 PHE HD1 H 1 7.385 0.030 . 1 . . . . 37 PHE HD1 . 11326 1 355 . 1 1 37 37 PHE HD2 H 1 7.385 0.030 . 1 . . . . 37 PHE HD2 . 11326 1 356 . 1 1 37 37 PHE HE1 H 1 7.389 0.030 . 1 . . . . 37 PHE HE1 . 11326 1 357 . 1 1 37 37 PHE HE2 H 1 7.389 0.030 . 1 . . . . 37 PHE HE2 . 11326 1 358 . 1 1 37 37 PHE HZ H 1 7.327 0.030 . 1 . . . . 37 PHE HZ . 11326 1 359 . 1 1 37 37 PHE C C 13 175.489 0.300 . 1 . . . . 37 PHE C . 11326 1 360 . 1 1 37 37 PHE CA C 13 55.455 0.300 . 1 . . . . 37 PHE CA . 11326 1 361 . 1 1 37 37 PHE CB C 13 45.769 0.300 . 1 . . . . 37 PHE CB . 11326 1 362 . 1 1 37 37 PHE CD1 C 13 132.627 0.300 . 1 . . . . 37 PHE CD1 . 11326 1 363 . 1 1 37 37 PHE CD2 C 13 132.627 0.300 . 1 . . . . 37 PHE CD2 . 11326 1 364 . 1 1 37 37 PHE CE1 C 13 131.272 0.300 . 1 . . . . 37 PHE CE1 . 11326 1 365 . 1 1 37 37 PHE CE2 C 13 131.272 0.300 . 1 . . . . 37 PHE CE2 . 11326 1 366 . 1 1 37 37 PHE CZ C 13 129.413 0.300 . 1 . . . . 37 PHE CZ . 11326 1 367 . 1 1 37 37 PHE N N 15 120.643 0.300 . 1 . . . . 37 PHE N . 11326 1 368 . 1 1 38 38 CYS H H 1 8.977 0.030 . 1 . . . . 38 CYS H . 11326 1 369 . 1 1 38 38 CYS HA H 1 4.204 0.030 . 1 . . . . 38 CYS HA . 11326 1 370 . 1 1 38 38 CYS HB2 H 1 3.673 0.030 . 2 . . . . 38 CYS HB2 . 11326 1 371 . 1 1 38 38 CYS HB3 H 1 3.407 0.030 . 2 . . . . 38 CYS HB3 . 11326 1 372 . 1 1 38 38 CYS C C 13 178.650 0.300 . 1 . . . . 38 CYS C . 11326 1 373 . 1 1 38 38 CYS CA C 13 60.510 0.300 . 1 . . . . 38 CYS CA . 11326 1 374 . 1 1 38 38 CYS CB C 13 31.641 0.300 . 1 . . . . 38 CYS CB . 11326 1 375 . 1 1 38 38 CYS N N 15 122.969 0.300 . 1 . . . . 38 CYS N . 11326 1 376 . 1 1 39 39 TYR H H 1 8.496 0.030 . 1 . . . . 39 TYR H . 11326 1 377 . 1 1 39 39 TYR HA H 1 4.079 0.030 . 1 . . . . 39 TYR HA . 11326 1 378 . 1 1 39 39 TYR HB2 H 1 3.575 0.030 . 2 . . . . 39 TYR HB2 . 11326 1 379 . 1 1 39 39 TYR HB3 H 1 2.959 0.030 . 2 . . . . 39 TYR HB3 . 11326 1 380 . 1 1 39 39 TYR HD1 H 1 6.948 0.030 . 1 . . . . 39 TYR HD1 . 11326 1 381 . 1 1 39 39 TYR HD2 H 1 6.948 0.030 . 1 . . . . 39 TYR HD2 . 11326 1 382 . 1 1 39 39 TYR HE1 H 1 6.750 0.030 . 1 . . . . 39 TYR HE1 . 11326 1 383 . 1 1 39 39 TYR HE2 H 1 6.750 0.030 . 1 . . . . 39 TYR HE2 . 11326 1 384 . 1 1 39 39 TYR C C 13 177.339 0.300 . 1 . . . . 39 TYR C . 11326 1 385 . 1 1 39 39 TYR CA C 13 62.868 0.300 . 1 . . . . 39 TYR CA . 11326 1 386 . 1 1 39 39 TYR CB C 13 38.768 0.300 . 1 . . . . 39 TYR CB . 11326 1 387 . 1 1 39 39 TYR CD1 C 13 133.040 0.300 . 1 . . . . 39 TYR CD1 . 11326 1 388 . 1 1 39 39 TYR CD2 C 13 133.040 0.300 . 1 . . . . 39 TYR CD2 . 11326 1 389 . 1 1 39 39 TYR CE1 C 13 118.117 0.300 . 1 . . . . 39 TYR CE1 . 11326 1 390 . 1 1 39 39 TYR CE2 C 13 118.117 0.300 . 1 . . . . 39 TYR CE2 . 11326 1 391 . 1 1 39 39 TYR N N 15 125.245 0.300 . 1 . . . . 39 TYR N . 11326 1 392 . 1 1 40 40 LEU H H 1 8.955 0.030 . 1 . . . . 40 LEU H . 11326 1 393 . 1 1 40 40 LEU HA H 1 3.921 0.030 . 1 . . . . 40 LEU HA . 11326 1 394 . 1 1 40 40 LEU HB2 H 1 1.952 0.030 . 2 . . . . 40 LEU HB2 . 11326 1 395 . 1 1 40 40 LEU HB3 H 1 1.562 0.030 . 2 . . . . 40 LEU HB3 . 11326 1 396 . 1 1 40 40 LEU HD11 H 1 1.022 0.030 . 1 . . . . 40 LEU HD1 . 11326 1 397 . 1 1 40 40 LEU HD12 H 1 1.022 0.030 . 1 . . . . 40 LEU HD1 . 11326 1 398 . 1 1 40 40 LEU HD13 H 1 1.022 0.030 . 1 . . . . 40 LEU HD1 . 11326 1 399 . 1 1 40 40 LEU HD21 H 1 0.944 0.030 . 1 . . . . 40 LEU HD2 . 11326 1 400 . 1 1 40 40 LEU HD22 H 1 0.944 0.030 . 1 . . . . 40 LEU HD2 . 11326 1 401 . 1 1 40 40 LEU HD23 H 1 0.944 0.030 . 1 . . . . 40 LEU HD2 . 11326 1 402 . 1 1 40 40 LEU HG H 1 1.877 0.030 . 1 . . . . 40 LEU HG . 11326 1 403 . 1 1 40 40 LEU C C 13 180.488 0.300 . 1 . . . . 40 LEU C . 11326 1 404 . 1 1 40 40 LEU CA C 13 57.173 0.300 . 1 . . . . 40 LEU CA . 11326 1 405 . 1 1 40 40 LEU CB C 13 41.289 0.300 . 1 . . . . 40 LEU CB . 11326 1 406 . 1 1 40 40 LEU CD1 C 13 25.232 0.300 . 2 . . . . 40 LEU CD1 . 11326 1 407 . 1 1 40 40 LEU CD2 C 13 22.801 0.300 . 2 . . . . 40 LEU CD2 . 11326 1 408 . 1 1 40 40 LEU CG C 13 27.272 0.300 . 1 . . . . 40 LEU CG . 11326 1 409 . 1 1 40 40 LEU N N 15 114.217 0.300 . 1 . . . . 40 LEU N . 11326 1 410 . 1 1 41 41 CYS H H 1 7.352 0.030 . 1 . . . . 41 CYS H . 11326 1 411 . 1 1 41 41 CYS HA H 1 4.116 0.030 . 1 . . . . 41 CYS HA . 11326 1 412 . 1 1 41 41 CYS HB2 H 1 3.125 0.030 . 2 . . . . 41 CYS HB2 . 11326 1 413 . 1 1 41 41 CYS HB3 H 1 2.893 0.030 . 2 . . . . 41 CYS HB3 . 11326 1 414 . 1 1 41 41 CYS C C 13 177.220 0.300 . 1 . . . . 41 CYS C . 11326 1 415 . 1 1 41 41 CYS CA C 13 64.174 0.300 . 1 . . . . 41 CYS CA . 11326 1 416 . 1 1 41 41 CYS CB C 13 29.342 0.300 . 1 . . . . 41 CYS CB . 11326 1 417 . 1 1 41 41 CYS N N 15 119.455 0.300 . 1 . . . . 41 CYS N . 11326 1 418 . 1 1 42 42 VAL H H 1 7.604 0.030 . 1 . . . . 42 VAL H . 11326 1 419 . 1 1 42 42 VAL HA H 1 3.547 0.030 . 1 . . . . 42 VAL HA . 11326 1 420 . 1 1 42 42 VAL HB H 1 1.844 0.030 . 1 . . . . 42 VAL HB . 11326 1 421 . 1 1 42 42 VAL HG11 H 1 0.770 0.030 . 1 . . . . 42 VAL HG1 . 11326 1 422 . 1 1 42 42 VAL HG12 H 1 0.770 0.030 . 1 . . . . 42 VAL HG1 . 11326 1 423 . 1 1 42 42 VAL HG13 H 1 0.770 0.030 . 1 . . . . 42 VAL HG1 . 11326 1 424 . 1 1 42 42 VAL HG21 H 1 0.770 0.030 . 1 . . . . 42 VAL HG2 . 11326 1 425 . 1 1 42 42 VAL HG22 H 1 0.770 0.030 . 1 . . . . 42 VAL HG2 . 11326 1 426 . 1 1 42 42 VAL HG23 H 1 0.770 0.030 . 1 . . . . 42 VAL HG2 . 11326 1 427 . 1 1 42 42 VAL C C 13 176.905 0.300 . 1 . . . . 42 VAL C . 11326 1 428 . 1 1 42 42 VAL CA C 13 64.118 0.300 . 1 . . . . 42 VAL CA . 11326 1 429 . 1 1 42 42 VAL CB C 13 31.700 0.300 . 1 . . . . 42 VAL CB . 11326 1 430 . 1 1 42 42 VAL CG1 C 13 21.505 0.300 . 2 . . . . 42 VAL CG1 . 11326 1 431 . 1 1 42 42 VAL CG2 C 13 22.878 0.300 . 2 . . . . 42 VAL CG2 . 11326 1 432 . 1 1 42 42 VAL N N 15 116.476 0.300 . 1 . . . . 42 VAL N . 11326 1 433 . 1 1 43 43 LYS H H 1 7.851 0.030 . 1 . . . . 43 LYS H . 11326 1 434 . 1 1 43 43 LYS HA H 1 3.758 0.030 . 1 . . . . 43 LYS HA . 11326 1 435 . 1 1 43 43 LYS HB2 H 1 1.523 0.030 . 2 . . . . 43 LYS HB2 . 11326 1 436 . 1 1 43 43 LYS HB3 H 1 1.280 0.030 . 2 . . . . 43 LYS HB3 . 11326 1 437 . 1 1 43 43 LYS HD2 H 1 1.382 0.030 . 1 . . . . 43 LYS HD2 . 11326 1 438 . 1 1 43 43 LYS HD3 H 1 1.382 0.030 . 1 . . . . 43 LYS HD3 . 11326 1 439 . 1 1 43 43 LYS HE2 H 1 2.812 0.030 . 1 . . . . 43 LYS HE2 . 11326 1 440 . 1 1 43 43 LYS HE3 H 1 2.812 0.030 . 1 . . . . 43 LYS HE3 . 11326 1 441 . 1 1 43 43 LYS HG2 H 1 1.100 0.030 . 1 . . . . 43 LYS HG2 . 11326 1 442 . 1 1 43 43 LYS HG3 H 1 1.100 0.030 . 1 . . . . 43 LYS HG3 . 11326 1 443 . 1 1 43 43 LYS C C 13 177.782 0.300 . 1 . . . . 43 LYS C . 11326 1 444 . 1 1 43 43 LYS CA C 13 58.027 0.300 . 1 . . . . 43 LYS CA . 11326 1 445 . 1 1 43 43 LYS CB C 13 32.226 0.300 . 1 . . . . 43 LYS CB . 11326 1 446 . 1 1 43 43 LYS CD C 13 29.100 0.300 . 1 . . . . 43 LYS CD . 11326 1 447 . 1 1 43 43 LYS CE C 13 42.106 0.300 . 1 . . . . 43 LYS CE . 11326 1 448 . 1 1 43 43 LYS CG C 13 24.544 0.300 . 1 . . . . 43 LYS CG . 11326 1 449 . 1 1 43 43 LYS N N 15 120.134 0.300 . 1 . . . . 43 LYS N . 11326 1 450 . 1 1 44 44 GLY H H 1 7.644 0.030 . 1 . . . . 44 GLY H . 11326 1 451 . 1 1 44 44 GLY HA2 H 1 4.032 0.030 . 2 . . . . 44 GLY HA2 . 11326 1 452 . 1 1 44 44 GLY HA3 H 1 3.789 0.030 . 2 . . . . 44 GLY HA3 . 11326 1 453 . 1 1 44 44 GLY C C 13 174.514 0.300 . 1 . . . . 44 GLY C . 11326 1 454 . 1 1 44 44 GLY CA C 13 45.538 0.300 . 1 . . . . 44 GLY CA . 11326 1 455 . 1 1 44 44 GLY N N 15 105.501 0.300 . 1 . . . . 44 GLY N . 11326 1 456 . 1 1 45 45 ALA H H 1 7.539 0.030 . 1 . . . . 45 ALA H . 11326 1 457 . 1 1 45 45 ALA HA H 1 4.146 0.030 . 1 . . . . 45 ALA HA . 11326 1 458 . 1 1 45 45 ALA HB1 H 1 1.038 0.030 . 1 . . . . 45 ALA HB . 11326 1 459 . 1 1 45 45 ALA HB2 H 1 1.038 0.030 . 1 . . . . 45 ALA HB . 11326 1 460 . 1 1 45 45 ALA HB3 H 1 1.038 0.030 . 1 . . . . 45 ALA HB . 11326 1 461 . 1 1 45 45 ALA C C 13 178.741 0.300 . 1 . . . . 45 ALA C . 11326 1 462 . 1 1 45 45 ALA CA C 13 52.441 0.300 . 1 . . . . 45 ALA CA . 11326 1 463 . 1 1 45 45 ALA CB C 13 18.283 0.300 . 1 . . . . 45 ALA CB . 11326 1 464 . 1 1 45 45 ALA N N 15 123.143 0.300 . 1 . . . . 45 ALA N . 11326 1 465 . 1 1 46 46 SER H H 1 8.294 0.030 . 1 . . . . 46 SER H . 11326 1 466 . 1 1 46 46 SER HA H 1 4.249 0.030 . 1 . . . . 46 SER HA . 11326 1 467 . 1 1 46 46 SER HB2 H 1 3.857 0.030 . 1 . . . . 46 SER HB2 . 11326 1 468 . 1 1 46 46 SER HB3 H 1 3.857 0.030 . 1 . . . . 46 SER HB3 . 11326 1 469 . 1 1 46 46 SER C C 13 175.367 0.300 . 1 . . . . 46 SER C . 11326 1 470 . 1 1 46 46 SER CA C 13 60.212 0.300 . 1 . . . . 46 SER CA . 11326 1 471 . 1 1 46 46 SER CB C 13 62.963 0.300 . 1 . . . . 46 SER CB . 11326 1 472 . 1 1 47 47 TRP H H 1 7.632 0.030 . 1 . . . . 47 TRP H . 11326 1 473 . 1 1 47 47 TRP HA H 1 4.525 0.030 . 1 . . . . 47 TRP HA . 11326 1 474 . 1 1 47 47 TRP HB2 H 1 3.435 0.030 . 2 . . . . 47 TRP HB2 . 11326 1 475 . 1 1 47 47 TRP HB3 H 1 3.286 0.030 . 2 . . . . 47 TRP HB3 . 11326 1 476 . 1 1 47 47 TRP HD1 H 1 7.245 0.030 . 1 . . . . 47 TRP HD1 . 11326 1 477 . 1 1 47 47 TRP HE1 H 1 10.357 0.030 . 1 . . . . 47 TRP HE1 . 11326 1 478 . 1 1 47 47 TRP HE3 H 1 7.492 0.030 . 1 . . . . 47 TRP HE3 . 11326 1 479 . 1 1 47 47 TRP HH2 H 1 7.094 0.030 . 1 . . . . 47 TRP HH2 . 11326 1 480 . 1 1 47 47 TRP HZ2 H 1 7.408 0.030 . 1 . . . . 47 TRP HZ2 . 11326 1 481 . 1 1 47 47 TRP HZ3 H 1 7.032 0.030 . 1 . . . . 47 TRP HZ3 . 11326 1 482 . 1 1 47 47 TRP C C 13 176.792 0.300 . 1 . . . . 47 TRP C . 11326 1 483 . 1 1 47 47 TRP CA C 13 57.894 0.300 . 1 . . . . 47 TRP CA . 11326 1 484 . 1 1 47 47 TRP CB C 13 28.842 0.300 . 1 . . . . 47 TRP CB . 11326 1 485 . 1 1 47 47 TRP CD1 C 13 127.200 0.300 . 1 . . . . 47 TRP CD1 . 11326 1 486 . 1 1 47 47 TRP CE3 C 13 120.594 0.300 . 1 . . . . 47 TRP CE3 . 11326 1 487 . 1 1 47 47 TRP CH2 C 13 124.898 0.300 . 1 . . . . 47 TRP CH2 . 11326 1 488 . 1 1 47 47 TRP CZ2 C 13 114.841 0.300 . 1 . . . . 47 TRP CZ2 . 11326 1 489 . 1 1 47 47 TRP CZ3 C 13 122.293 0.300 . 1 . . . . 47 TRP CZ3 . 11326 1 490 . 1 1 47 47 TRP N N 15 120.493 0.300 . 1 . . . . 47 TRP N . 11326 1 491 . 1 1 47 47 TRP NE1 N 15 130.177 0.300 . 1 . . . . 47 TRP NE1 . 11326 1 492 . 1 1 48 48 LEU H H 1 7.421 0.030 . 1 . . . . 48 LEU H . 11326 1 493 . 1 1 48 48 LEU HA H 1 4.029 0.030 . 1 . . . . 48 LEU HA . 11326 1 494 . 1 1 48 48 LEU HB2 H 1 1.444 0.030 . 2 . . . . 48 LEU HB2 . 11326 1 495 . 1 1 48 48 LEU HB3 H 1 1.525 0.030 . 2 . . . . 48 LEU HB3 . 11326 1 496 . 1 1 48 48 LEU HD11 H 1 0.668 0.030 . 1 . . . . 48 LEU HD1 . 11326 1 497 . 1 1 48 48 LEU HD12 H 1 0.668 0.030 . 1 . . . . 48 LEU HD1 . 11326 1 498 . 1 1 48 48 LEU HD13 H 1 0.668 0.030 . 1 . . . . 48 LEU HD1 . 11326 1 499 . 1 1 48 48 LEU HD21 H 1 0.715 0.030 . 1 . . . . 48 LEU HD2 . 11326 1 500 . 1 1 48 48 LEU HD22 H 1 0.715 0.030 . 1 . . . . 48 LEU HD2 . 11326 1 501 . 1 1 48 48 LEU HD23 H 1 0.715 0.030 . 1 . . . . 48 LEU HD2 . 11326 1 502 . 1 1 48 48 LEU HG H 1 1.439 0.030 . 1 . . . . 48 LEU HG . 11326 1 503 . 1 1 48 48 LEU C C 13 178.188 0.300 . 1 . . . . 48 LEU C . 11326 1 504 . 1 1 48 48 LEU CA C 13 56.048 0.300 . 1 . . . . 48 LEU CA . 11326 1 505 . 1 1 48 48 LEU CB C 13 41.450 0.300 . 1 . . . . 48 LEU CB . 11326 1 506 . 1 1 48 48 LEU CD1 C 13 23.421 0.300 . 2 . . . . 48 LEU CD1 . 11326 1 507 . 1 1 48 48 LEU CD2 C 13 25.131 0.300 . 2 . . . . 48 LEU CD2 . 11326 1 508 . 1 1 48 48 LEU CG C 13 27.499 0.300 . 1 . . . . 48 LEU CG . 11326 1 509 . 1 1 48 48 LEU N N 15 120.866 0.300 . 1 . . . . 48 LEU N . 11326 1 510 . 1 1 49 49 GLY H H 1 7.927 0.030 . 1 . . . . 49 GLY H . 11326 1 511 . 1 1 49 49 GLY HA2 H 1 3.816 0.030 . 1 . . . . 49 GLY HA2 . 11326 1 512 . 1 1 49 49 GLY HA3 H 1 3.816 0.030 . 1 . . . . 49 GLY HA3 . 11326 1 513 . 1 1 49 49 GLY C C 13 174.240 0.300 . 1 . . . . 49 GLY C . 11326 1 514 . 1 1 49 49 GLY CA C 13 46.104 0.300 . 1 . . . . 49 GLY CA . 11326 1 515 . 1 1 49 49 GLY N N 15 107.652 0.300 . 1 . . . . 49 GLY N . 11326 1 516 . 1 1 50 50 LYS H H 1 8.261 0.030 . 1 . . . . 50 LYS H . 11326 1 517 . 1 1 50 50 LYS HA H 1 3.992 0.030 . 1 . . . . 50 LYS HA . 11326 1 518 . 1 1 50 50 LYS HB2 H 1 1.987 0.030 . 2 . . . . 50 LYS HB2 . 11326 1 519 . 1 1 50 50 LYS HB3 H 1 1.860 0.030 . 2 . . . . 50 LYS HB3 . 11326 1 520 . 1 1 50 50 LYS HD2 H 1 1.561 0.030 . 2 . . . . 50 LYS HD2 . 11326 1 521 . 1 1 50 50 LYS HD3 H 1 1.611 0.030 . 2 . . . . 50 LYS HD3 . 11326 1 522 . 1 1 50 50 LYS HE2 H 1 2.879 0.030 . 2 . . . . 50 LYS HE2 . 11326 1 523 . 1 1 50 50 LYS HE3 H 1 2.895 0.030 . 2 . . . . 50 LYS HE3 . 11326 1 524 . 1 1 50 50 LYS HG2 H 1 1.335 0.030 . 2 . . . . 50 LYS HG2 . 11326 1 525 . 1 1 50 50 LYS HG3 H 1 1.267 0.030 . 2 . . . . 50 LYS HG3 . 11326 1 526 . 1 1 50 50 LYS C C 13 175.309 0.300 . 1 . . . . 50 LYS C . 11326 1 527 . 1 1 50 50 LYS CA C 13 56.497 0.300 . 1 . . . . 50 LYS CA . 11326 1 528 . 1 1 50 50 LYS CB C 13 31.194 0.300 . 1 . . . . 50 LYS CB . 11326 1 529 . 1 1 50 50 LYS CD C 13 29.085 0.300 . 1 . . . . 50 LYS CD . 11326 1 530 . 1 1 50 50 LYS CE C 13 42.275 0.300 . 1 . . . . 50 LYS CE . 11326 1 531 . 1 1 50 50 LYS CG C 13 25.003 0.300 . 1 . . . . 50 LYS CG . 11326 1 532 . 1 1 50 50 LYS N N 15 117.004 0.300 . 1 . . . . 50 LYS N . 11326 1 533 . 1 1 51 51 ARG H H 1 7.379 0.030 . 1 . . . . 51 ARG H . 11326 1 534 . 1 1 51 51 ARG HA H 1 4.749 0.030 . 1 . . . . 51 ARG HA . 11326 1 535 . 1 1 51 51 ARG HB2 H 1 1.347 0.030 . 1 . . . . 51 ARG HB2 . 11326 1 536 . 1 1 51 51 ARG HB3 H 1 1.347 0.030 . 1 . . . . 51 ARG HB3 . 11326 1 537 . 1 1 51 51 ARG HD2 H 1 3.034 0.030 . 1 . . . . 51 ARG HD2 . 11326 1 538 . 1 1 51 51 ARG HD3 H 1 3.034 0.030 . 1 . . . . 51 ARG HD3 . 11326 1 539 . 1 1 51 51 ARG HG2 H 1 1.339 0.030 . 1 . . . . 51 ARG HG2 . 11326 1 540 . 1 1 51 51 ARG HG3 H 1 1.339 0.030 . 1 . . . . 51 ARG HG3 . 11326 1 541 . 1 1 51 51 ARG C C 13 174.394 0.300 . 1 . . . . 51 ARG C . 11326 1 542 . 1 1 51 51 ARG CA C 13 53.990 0.300 . 1 . . . . 51 ARG CA . 11326 1 543 . 1 1 51 51 ARG CB C 13 34.003 0.300 . 1 . . . . 51 ARG CB . 11326 1 544 . 1 1 51 51 ARG CD C 13 43.344 0.300 . 1 . . . . 51 ARG CD . 11326 1 545 . 1 1 51 51 ARG CG C 13 27.791 0.300 . 1 . . . . 51 ARG CG . 11326 1 546 . 1 1 51 51 ARG N N 15 116.835 0.300 . 1 . . . . 51 ARG N . 11326 1 547 . 1 1 52 52 CYS H H 1 8.431 0.030 . 1 . . . . 52 CYS H . 11326 1 548 . 1 1 52 52 CYS HA H 1 3.859 0.030 . 1 . . . . 52 CYS HA . 11326 1 549 . 1 1 52 52 CYS HB2 H 1 2.946 0.030 . 2 . . . . 52 CYS HB2 . 11326 1 550 . 1 1 52 52 CYS HB3 H 1 3.055 0.030 . 2 . . . . 52 CYS HB3 . 11326 1 551 . 1 1 52 52 CYS C C 13 177.693 0.300 . 1 . . . . 52 CYS C . 11326 1 552 . 1 1 52 52 CYS CA C 13 59.637 0.300 . 1 . . . . 52 CYS CA . 11326 1 553 . 1 1 52 52 CYS CB C 13 31.430 0.300 . 1 . . . . 52 CYS CB . 11326 1 554 . 1 1 52 52 CYS N N 15 122.817 0.300 . 1 . . . . 52 CYS N . 11326 1 555 . 1 1 53 53 ALA H H 1 7.878 0.030 . 1 . . . . 53 ALA H . 11326 1 556 . 1 1 53 53 ALA HA H 1 3.881 0.030 . 1 . . . . 53 ALA HA . 11326 1 557 . 1 1 53 53 ALA HB1 H 1 1.122 0.030 . 1 . . . . 53 ALA HB . 11326 1 558 . 1 1 53 53 ALA HB2 H 1 1.122 0.030 . 1 . . . . 53 ALA HB . 11326 1 559 . 1 1 53 53 ALA HB3 H 1 1.122 0.030 . 1 . . . . 53 ALA HB . 11326 1 560 . 1 1 53 53 ALA CA C 13 54.468 0.300 . 1 . . . . 53 ALA CA . 11326 1 561 . 1 1 53 53 ALA CB C 13 19.349 0.300 . 1 . . . . 53 ALA CB . 11326 1 562 . 1 1 54 54 LEU H H 1 9.387 0.030 . 1 . . . . 54 LEU H . 11326 1 563 . 1 1 54 54 LEU HA H 1 4.401 0.030 . 1 . . . . 54 LEU HA . 11326 1 564 . 1 1 54 54 LEU HB2 H 1 0.992 0.030 . 1 . . . . 54 LEU HB2 . 11326 1 565 . 1 1 54 54 LEU HB3 H 1 0.992 0.030 . 1 . . . . 54 LEU HB3 . 11326 1 566 . 1 1 54 54 LEU HD11 H 1 0.641 0.030 . 1 . . . . 54 LEU HD1 . 11326 1 567 . 1 1 54 54 LEU HD12 H 1 0.641 0.030 . 1 . . . . 54 LEU HD1 . 11326 1 568 . 1 1 54 54 LEU HD13 H 1 0.641 0.030 . 1 . . . . 54 LEU HD1 . 11326 1 569 . 1 1 54 54 LEU HD21 H 1 0.700 0.030 . 1 . . . . 54 LEU HD2 . 11326 1 570 . 1 1 54 54 LEU HD22 H 1 0.700 0.030 . 1 . . . . 54 LEU HD2 . 11326 1 571 . 1 1 54 54 LEU HD23 H 1 0.700 0.030 . 1 . . . . 54 LEU HD2 . 11326 1 572 . 1 1 54 54 LEU HG H 1 1.437 0.030 . 1 . . . . 54 LEU HG . 11326 1 573 . 1 1 54 54 LEU CA C 13 56.279 0.300 . 1 . . . . 54 LEU CA . 11326 1 574 . 1 1 54 54 LEU CB C 13 43.133 0.300 . 1 . . . . 54 LEU CB . 11326 1 575 . 1 1 54 54 LEU CD1 C 13 25.180 0.300 . 2 . . . . 54 LEU CD1 . 11326 1 576 . 1 1 54 54 LEU CD2 C 13 23.045 0.300 . 2 . . . . 54 LEU CD2 . 11326 1 577 . 1 1 54 54 LEU CG C 13 27.569 0.300 . 1 . . . . 54 LEU CG . 11326 1 578 . 1 1 54 54 LEU N N 15 119.687 0.300 . 1 . . . . 54 LEU N . 11326 1 579 . 1 1 55 55 CYS H H 1 8.477 0.030 . 1 . . . . 55 CYS H . 11326 1 580 . 1 1 55 55 CYS HA H 1 5.007 0.030 . 1 . . . . 55 CYS HA . 11326 1 581 . 1 1 55 55 CYS HB2 H 1 2.798 0.030 . 2 . . . . 55 CYS HB2 . 11326 1 582 . 1 1 55 55 CYS HB3 H 1 3.410 0.030 . 2 . . . . 55 CYS HB3 . 11326 1 583 . 1 1 55 55 CYS C C 13 175.910 0.300 . 1 . . . . 55 CYS C . 11326 1 584 . 1 1 55 55 CYS CA C 13 58.801 0.300 . 1 . . . . 55 CYS CA . 11326 1 585 . 1 1 55 55 CYS CB C 13 32.236 0.300 . 1 . . . . 55 CYS CB . 11326 1 586 . 1 1 55 55 CYS N N 15 119.346 0.300 . 1 . . . . 55 CYS N . 11326 1 587 . 1 1 56 56 ARG H H 1 7.861 0.030 . 1 . . . . 56 ARG H . 11326 1 588 . 1 1 56 56 ARG HA H 1 4.038 0.030 . 1 . . . . 56 ARG HA . 11326 1 589 . 1 1 56 56 ARG HB2 H 1 2.140 0.030 . 2 . . . . 56 ARG HB2 . 11326 1 590 . 1 1 56 56 ARG HB3 H 1 2.014 0.030 . 2 . . . . 56 ARG HB3 . 11326 1 591 . 1 1 56 56 ARG HD2 H 1 3.111 0.030 . 1 . . . . 56 ARG HD2 . 11326 1 592 . 1 1 56 56 ARG HD3 H 1 3.111 0.030 . 1 . . . . 56 ARG HD3 . 11326 1 593 . 1 1 56 56 ARG HG2 H 1 1.452 0.030 . 2 . . . . 56 ARG HG2 . 11326 1 594 . 1 1 56 56 ARG HG3 H 1 1.521 0.030 . 2 . . . . 56 ARG HG3 . 11326 1 595 . 1 1 56 56 ARG C C 13 174.665 0.300 . 1 . . . . 56 ARG C . 11326 1 596 . 1 1 56 56 ARG CA C 13 57.855 0.300 . 1 . . . . 56 ARG CA . 11326 1 597 . 1 1 56 56 ARG CB C 13 27.272 0.300 . 1 . . . . 56 ARG CB . 11326 1 598 . 1 1 56 56 ARG CD C 13 42.705 0.300 . 1 . . . . 56 ARG CD . 11326 1 599 . 1 1 56 56 ARG CG C 13 27.465 0.300 . 1 . . . . 56 ARG CG . 11326 1 600 . 1 1 56 56 ARG N N 15 116.149 0.300 . 1 . . . . 56 ARG N . 11326 1 601 . 1 1 57 57 GLN H H 1 8.248 0.030 . 1 . . . . 57 GLN H . 11326 1 602 . 1 1 57 57 GLN HA H 1 4.194 0.030 . 1 . . . . 57 GLN HA . 11326 1 603 . 1 1 57 57 GLN HB2 H 1 2.187 0.030 . 2 . . . . 57 GLN HB2 . 11326 1 604 . 1 1 57 57 GLN HB3 H 1 1.976 0.030 . 2 . . . . 57 GLN HB3 . 11326 1 605 . 1 1 57 57 GLN HE21 H 1 6.896 0.030 . 2 . . . . 57 GLN HE21 . 11326 1 606 . 1 1 57 57 GLN HE22 H 1 7.799 0.030 . 2 . . . . 57 GLN HE22 . 11326 1 607 . 1 1 57 57 GLN HG2 H 1 2.502 0.030 . 1 . . . . 57 GLN HG2 . 11326 1 608 . 1 1 57 57 GLN HG3 H 1 2.502 0.030 . 1 . . . . 57 GLN HG3 . 11326 1 609 . 1 1 57 57 GLN C C 13 176.484 0.300 . 1 . . . . 57 GLN C . 11326 1 610 . 1 1 57 57 GLN CA C 13 57.675 0.300 . 1 . . . . 57 GLN CA . 11326 1 611 . 1 1 57 57 GLN CB C 13 29.476 0.300 . 1 . . . . 57 GLN CB . 11326 1 612 . 1 1 57 57 GLN CG C 13 34.844 0.300 . 1 . . . . 57 GLN CG . 11326 1 613 . 1 1 57 57 GLN N N 15 121.963 0.300 . 1 . . . . 57 GLN N . 11326 1 614 . 1 1 57 57 GLN NE2 N 15 113.069 0.300 . 1 . . . . 57 GLN NE2 . 11326 1 615 . 1 1 58 58 GLU H H 1 8.906 0.030 . 1 . . . . 58 GLU H . 11326 1 616 . 1 1 58 58 GLU HA H 1 4.224 0.030 . 1 . . . . 58 GLU HA . 11326 1 617 . 1 1 58 58 GLU HB2 H 1 1.951 0.030 . 1 . . . . 58 GLU HB2 . 11326 1 618 . 1 1 58 58 GLU HB3 H 1 1.951 0.030 . 1 . . . . 58 GLU HB3 . 11326 1 619 . 1 1 58 58 GLU HG2 H 1 2.204 0.030 . 2 . . . . 58 GLU HG2 . 11326 1 620 . 1 1 58 58 GLU HG3 H 1 2.305 0.030 . 2 . . . . 58 GLU HG3 . 11326 1 621 . 1 1 58 58 GLU C C 13 175.872 0.300 . 1 . . . . 58 GLU C . 11326 1 622 . 1 1 58 58 GLU CA C 13 57.860 0.300 . 1 . . . . 58 GLU CA . 11326 1 623 . 1 1 58 58 GLU CB C 13 30.480 0.300 . 1 . . . . 58 GLU CB . 11326 1 624 . 1 1 58 58 GLU CG C 13 36.764 0.300 . 1 . . . . 58 GLU CG . 11326 1 625 . 1 1 58 58 GLU N N 15 124.972 0.300 . 1 . . . . 58 GLU N . 11326 1 626 . 1 1 59 59 ILE H H 1 8.121 0.030 . 1 . . . . 59 ILE H . 11326 1 627 . 1 1 59 59 ILE HA H 1 4.217 0.030 . 1 . . . . 59 ILE HA . 11326 1 628 . 1 1 59 59 ILE HB H 1 1.446 0.030 . 1 . . . . 59 ILE HB . 11326 1 629 . 1 1 59 59 ILE HD11 H 1 0.534 0.030 . 1 . . . . 59 ILE HD1 . 11326 1 630 . 1 1 59 59 ILE HD12 H 1 0.534 0.030 . 1 . . . . 59 ILE HD1 . 11326 1 631 . 1 1 59 59 ILE HD13 H 1 0.534 0.030 . 1 . . . . 59 ILE HD1 . 11326 1 632 . 1 1 59 59 ILE HG12 H 1 1.437 0.030 . 2 . . . . 59 ILE HG12 . 11326 1 633 . 1 1 59 59 ILE HG13 H 1 0.772 0.030 . 2 . . . . 59 ILE HG13 . 11326 1 634 . 1 1 59 59 ILE HG21 H 1 0.767 0.030 . 1 . . . . 59 ILE HG2 . 11326 1 635 . 1 1 59 59 ILE HG22 H 1 0.767 0.030 . 1 . . . . 59 ILE HG2 . 11326 1 636 . 1 1 59 59 ILE HG23 H 1 0.767 0.030 . 1 . . . . 59 ILE HG2 . 11326 1 637 . 1 1 59 59 ILE C C 13 173.849 0.300 . 1 . . . . 59 ILE C . 11326 1 638 . 1 1 59 59 ILE CA C 13 58.540 0.300 . 1 . . . . 59 ILE CA . 11326 1 639 . 1 1 59 59 ILE CB C 13 39.834 0.300 . 1 . . . . 59 ILE CB . 11326 1 640 . 1 1 59 59 ILE CD1 C 13 14.342 0.300 . 1 . . . . 59 ILE CD1 . 11326 1 641 . 1 1 59 59 ILE CG1 C 13 27.628 0.300 . 1 . . . . 59 ILE CG1 . 11326 1 642 . 1 1 59 59 ILE CG2 C 13 17.340 0.300 . 1 . . . . 59 ILE CG2 . 11326 1 643 . 1 1 59 59 ILE N N 15 124.689 0.300 . 1 . . . . 59 ILE N . 11326 1 644 . 1 1 60 60 PRO HA H 1 4.453 0.030 . 1 . . . . 60 PRO HA . 11326 1 645 . 1 1 60 60 PRO HB2 H 1 2.506 0.030 . 2 . . . . 60 PRO HB2 . 11326 1 646 . 1 1 60 60 PRO HB3 H 1 2.054 0.030 . 2 . . . . 60 PRO HB3 . 11326 1 647 . 1 1 60 60 PRO HD2 H 1 3.903 0.030 . 2 . . . . 60 PRO HD2 . 11326 1 648 . 1 1 60 60 PRO HD3 H 1 3.245 0.030 . 2 . . . . 60 PRO HD3 . 11326 1 649 . 1 1 60 60 PRO HG2 H 1 2.164 0.030 . 2 . . . . 60 PRO HG2 . 11326 1 650 . 1 1 60 60 PRO HG3 H 1 2.060 0.030 . 2 . . . . 60 PRO HG3 . 11326 1 651 . 1 1 60 60 PRO C C 13 177.497 0.300 . 1 . . . . 60 PRO C . 11326 1 652 . 1 1 60 60 PRO CA C 13 62.982 0.300 . 1 . . . . 60 PRO CA . 11326 1 653 . 1 1 60 60 PRO CB C 13 32.712 0.300 . 1 . . . . 60 PRO CB . 11326 1 654 . 1 1 60 60 PRO CD C 13 51.056 0.300 . 1 . . . . 60 PRO CD . 11326 1 655 . 1 1 60 60 PRO CG C 13 27.669 0.300 . 1 . . . . 60 PRO CG . 11326 1 656 . 1 1 61 61 GLU H H 1 8.856 0.030 . 1 . . . . 61 GLU H . 11326 1 657 . 1 1 61 61 GLU HA H 1 4.012 0.030 . 1 . . . . 61 GLU HA . 11326 1 658 . 1 1 61 61 GLU HB2 H 1 2.035 0.030 . 1 . . . . 61 GLU HB2 . 11326 1 659 . 1 1 61 61 GLU HB3 H 1 2.035 0.030 . 1 . . . . 61 GLU HB3 . 11326 1 660 . 1 1 61 61 GLU HG2 H 1 2.333 0.030 . 1 . . . . 61 GLU HG2 . 11326 1 661 . 1 1 61 61 GLU HG3 H 1 2.333 0.030 . 1 . . . . 61 GLU HG3 . 11326 1 662 . 1 1 61 61 GLU C C 13 176.881 0.300 . 1 . . . . 61 GLU C . 11326 1 663 . 1 1 61 61 GLU CA C 13 58.915 0.300 . 1 . . . . 61 GLU CA . 11326 1 664 . 1 1 61 61 GLU CB C 13 29.818 0.300 . 1 . . . . 61 GLU CB . 11326 1 665 . 1 1 61 61 GLU CG C 13 36.175 0.300 . 1 . . . . 61 GLU CG . 11326 1 666 . 1 1 61 61 GLU N N 15 122.262 0.300 . 1 . . . . 61 GLU N . 11326 1 667 . 1 1 62 62 ASP H H 1 8.469 0.030 . 1 . . . . 62 ASP H . 11326 1 668 . 1 1 62 62 ASP HA H 1 4.646 0.030 . 1 . . . . 62 ASP HA . 11326 1 669 . 1 1 62 62 ASP HB2 H 1 2.862 0.030 . 2 . . . . 62 ASP HB2 . 11326 1 670 . 1 1 62 62 ASP HB3 H 1 2.640 0.030 . 2 . . . . 62 ASP HB3 . 11326 1 671 . 1 1 62 62 ASP C C 13 177.126 0.300 . 1 . . . . 62 ASP C . 11326 1 672 . 1 1 62 62 ASP CA C 13 53.800 0.300 . 1 . . . . 62 ASP CA . 11326 1 673 . 1 1 62 62 ASP CB C 13 40.143 0.300 . 1 . . . . 62 ASP CB . 11326 1 674 . 1 1 62 62 ASP N N 15 116.289 0.300 . 1 . . . . 62 ASP N . 11326 1 675 . 1 1 63 63 PHE H H 1 7.809 0.030 . 1 . . . . 63 PHE H . 11326 1 676 . 1 1 63 63 PHE HA H 1 4.201 0.030 . 1 . . . . 63 PHE HA . 11326 1 677 . 1 1 63 63 PHE HB2 H 1 3.275 0.030 . 2 . . . . 63 PHE HB2 . 11326 1 678 . 1 1 63 63 PHE HB3 H 1 2.861 0.030 . 2 . . . . 63 PHE HB3 . 11326 1 679 . 1 1 63 63 PHE HD1 H 1 7.146 0.030 . 1 . . . . 63 PHE HD1 . 11326 1 680 . 1 1 63 63 PHE HD2 H 1 7.146 0.030 . 1 . . . . 63 PHE HD2 . 11326 1 681 . 1 1 63 63 PHE HE1 H 1 7.361 0.030 . 1 . . . . 63 PHE HE1 . 11326 1 682 . 1 1 63 63 PHE HE2 H 1 7.361 0.030 . 1 . . . . 63 PHE HE2 . 11326 1 683 . 1 1 63 63 PHE HZ H 1 7.414 0.030 . 1 . . . . 63 PHE HZ . 11326 1 684 . 1 1 63 63 PHE C C 13 176.456 0.300 . 1 . . . . 63 PHE C . 11326 1 685 . 1 1 63 63 PHE CA C 13 61.121 0.300 . 1 . . . . 63 PHE CA . 11326 1 686 . 1 1 63 63 PHE CB C 13 40.753 0.300 . 1 . . . . 63 PHE CB . 11326 1 687 . 1 1 63 63 PHE CD1 C 13 131.647 0.300 . 1 . . . . 63 PHE CD1 . 11326 1 688 . 1 1 63 63 PHE CD2 C 13 131.647 0.300 . 1 . . . . 63 PHE CD2 . 11326 1 689 . 1 1 63 63 PHE CE1 C 13 131.636 0.300 . 1 . . . . 63 PHE CE1 . 11326 1 690 . 1 1 63 63 PHE CE2 C 13 131.636 0.300 . 1 . . . . 63 PHE CE2 . 11326 1 691 . 1 1 63 63 PHE CZ C 13 130.379 0.300 . 1 . . . . 63 PHE CZ . 11326 1 692 . 1 1 63 63 PHE N N 15 120.435 0.300 . 1 . . . . 63 PHE N . 11326 1 693 . 1 1 64 64 LEU H H 1 8.219 0.030 . 1 . . . . 64 LEU H . 11326 1 694 . 1 1 64 64 LEU HA H 1 4.257 0.030 . 1 . . . . 64 LEU HA . 11326 1 695 . 1 1 64 64 LEU HB2 H 1 1.629 0.030 . 2 . . . . 64 LEU HB2 . 11326 1 696 . 1 1 64 64 LEU HB3 H 1 1.536 0.030 . 2 . . . . 64 LEU HB3 . 11326 1 697 . 1 1 64 64 LEU HD11 H 1 0.723 0.030 . 1 . . . . 64 LEU HD1 . 11326 1 698 . 1 1 64 64 LEU HD12 H 1 0.723 0.030 . 1 . . . . 64 LEU HD1 . 11326 1 699 . 1 1 64 64 LEU HD13 H 1 0.723 0.030 . 1 . . . . 64 LEU HD1 . 11326 1 700 . 1 1 64 64 LEU HD21 H 1 0.764 0.030 . 1 . . . . 64 LEU HD2 . 11326 1 701 . 1 1 64 64 LEU HD22 H 1 0.764 0.030 . 1 . . . . 64 LEU HD2 . 11326 1 702 . 1 1 64 64 LEU HD23 H 1 0.764 0.030 . 1 . . . . 64 LEU HD2 . 11326 1 703 . 1 1 64 64 LEU HG H 1 1.500 0.030 . 1 . . . . 64 LEU HG . 11326 1 704 . 1 1 64 64 LEU C C 13 177.210 0.300 . 1 . . . . 64 LEU C . 11326 1 705 . 1 1 64 64 LEU CA C 13 54.688 0.300 . 1 . . . . 64 LEU CA . 11326 1 706 . 1 1 64 64 LEU CB C 13 41.557 0.300 . 1 . . . . 64 LEU CB . 11326 1 707 . 1 1 64 64 LEU CD1 C 13 25.698 0.300 . 2 . . . . 64 LEU CD1 . 11326 1 708 . 1 1 64 64 LEU CD2 C 13 23.436 0.300 . 2 . . . . 64 LEU CD2 . 11326 1 709 . 1 1 64 64 LEU CG C 13 26.905 0.300 . 1 . . . . 64 LEU CG . 11326 1 710 . 1 1 64 64 LEU N N 15 117.377 0.300 . 1 . . . . 64 LEU N . 11326 1 711 . 1 1 65 65 ASP H H 1 7.873 0.030 . 1 . . . . 65 ASP H . 11326 1 712 . 1 1 65 65 ASP HA H 1 4.548 0.030 . 1 . . . . 65 ASP HA . 11326 1 713 . 1 1 65 65 ASP HB2 H 1 2.728 0.030 . 2 . . . . 65 ASP HB2 . 11326 1 714 . 1 1 65 65 ASP HB3 H 1 2.628 0.030 . 2 . . . . 65 ASP HB3 . 11326 1 715 . 1 1 65 65 ASP C C 13 176.421 0.300 . 1 . . . . 65 ASP C . 11326 1 716 . 1 1 65 65 ASP CA C 13 55.131 0.300 . 1 . . . . 65 ASP CA . 11326 1 717 . 1 1 65 65 ASP CB C 13 41.080 0.300 . 1 . . . . 65 ASP CB . 11326 1 718 . 1 1 65 65 ASP N N 15 120.528 0.300 . 1 . . . . 65 ASP N . 11326 1 719 . 1 1 66 66 SER H H 1 8.092 0.030 . 1 . . . . 66 SER H . 11326 1 720 . 1 1 66 66 SER HA H 1 4.434 0.030 . 1 . . . . 66 SER HA . 11326 1 721 . 1 1 66 66 SER HB2 H 1 3.819 0.030 . 1 . . . . 66 SER HB2 . 11326 1 722 . 1 1 66 66 SER HB3 H 1 3.819 0.030 . 1 . . . . 66 SER HB3 . 11326 1 723 . 1 1 66 66 SER C C 13 174.656 0.300 . 1 . . . . 66 SER C . 11326 1 724 . 1 1 66 66 SER CA C 13 58.540 0.300 . 1 . . . . 66 SER CA . 11326 1 725 . 1 1 66 66 SER CB C 13 63.837 0.300 . 1 . . . . 66 SER CB . 11326 1 726 . 1 1 66 66 SER N N 15 115.173 0.300 . 1 . . . . 66 SER N . 11326 1 727 . 1 1 67 67 GLY H H 1 8.116 0.030 . 1 . . . . 67 GLY H . 11326 1 728 . 1 1 67 67 GLY HA2 H 1 3.882 0.030 . 1 . . . . 67 GLY HA2 . 11326 1 729 . 1 1 67 67 GLY HA3 H 1 3.882 0.030 . 1 . . . . 67 GLY HA3 . 11326 1 730 . 1 1 67 67 GLY C C 13 171.866 0.300 . 1 . . . . 67 GLY C . 11326 1 731 . 1 1 67 67 GLY CA C 13 44.492 0.300 . 1 . . . . 67 GLY CA . 11326 1 732 . 1 1 67 67 GLY N N 15 110.346 0.300 . 1 . . . . 67 GLY N . 11326 1 733 . 1 1 68 68 PRO HA H 1 4.301 0.030 . 1 . . . . 68 PRO HA . 11326 1 734 . 1 1 68 68 PRO HB2 H 1 2.059 0.030 . 2 . . . . 68 PRO HB2 . 11326 1 735 . 1 1 68 68 PRO HB3 H 1 1.805 0.030 . 2 . . . . 68 PRO HB3 . 11326 1 736 . 1 1 68 68 PRO HD2 H 1 3.390 0.030 . 2 . . . . 68 PRO HD2 . 11326 1 737 . 1 1 68 68 PRO HD3 H 1 3.244 0.030 . 2 . . . . 68 PRO HD3 . 11326 1 738 . 1 1 68 68 PRO HG2 H 1 1.833 0.030 . 2 . . . . 68 PRO HG2 . 11326 1 739 . 1 1 68 68 PRO HG3 H 1 1.798 0.030 . 2 . . . . 68 PRO HG3 . 11326 1 740 . 1 1 68 68 PRO C C 13 177.191 0.300 . 1 . . . . 68 PRO C . 11326 1 741 . 1 1 68 68 PRO CA C 13 62.967 0.300 . 1 . . . . 68 PRO CA . 11326 1 742 . 1 1 68 68 PRO CB C 13 32.025 0.300 . 1 . . . . 68 PRO CB . 11326 1 743 . 1 1 68 68 PRO CD C 13 49.539 0.300 . 1 . . . . 68 PRO CD . 11326 1 744 . 1 1 68 68 PRO CG C 13 27.043 0.300 . 1 . . . . 68 PRO CG . 11326 1 stop_ save_