data_11159 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11159 _Entry.Title ; Solution structure of the Ring finger of human Retinoblastoma-binding protein 6 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-04-15 _Entry.Accession_date 2010-04-15 _Entry.Last_release_date 2011-05-05 _Entry.Original_release_date 2011-05-05 _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 H. Abe . . . 11159 2 K. Miyamoto . . . 11159 3 N. Tochio . . . 11159 4 T. Tomizawa . . . 11159 5 S. Koshiba . . . 11159 6 T. Harada . . . 11159 7 S. Watanabe . . . 11159 8 T. Kigawa . . . 11159 9 S. Yokoyama . . . 11159 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)' . 11159 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11159 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 276 11159 '15N chemical shifts' 63 11159 '1H chemical shifts' 429 11159 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 . . 2011-05-05 2010-04-15 original author . 11159 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2YUR 'BMRB Entry Tracking System' 11159 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11159 _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 finger of human Retinoblastoma-binding protein 6' _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 H. Abe . . . 11159 1 2 K. Miyamoto . . . 11159 1 3 N. Tochio . . . 11159 1 4 T. Tomizawa . . . 11159 1 5 S. Koshiba . . . 11159 1 6 T. Harada . . . 11159 1 7 S. Watanabe . . . 11159 1 8 T. Kigawa . . . 11159 1 9 S. Yokoyama . . . 11159 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11159 _Assembly.ID 1 _Assembly.Name 'Retinoblastoma-binding protein 6' _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 'UNP residues 249-309, C3HC4 domain' 1 $entity_1 A . yes native no no . . . 11159 1 2 'ZINC ION no.1' 2 $ZN B . no native no no . . . 11159 1 3 'ZINC ION no.2' 2 $ZN C . no native no no . . . 11159 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 'UNP residues 249-309, C3HC4 domain' 1 CYS 18 18 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 18 CYS SG . . . . ZN 11159 1 2 coordination single . 1 'UNP residues 249-309, C3HC4 domain' 1 CYS 21 21 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 21 CYS SG . . . . ZN 11159 1 3 coordination single . 1 'UNP residues 249-309, C3HC4 domain' 1 CYS 33 33 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 33 CYS SG . . . . ZN 11159 1 4 coordination single . 1 'UNP residues 249-309, C3HC4 domain' 1 CYS 34 34 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 34 CYS SG . . . . ZN 11159 1 5 coordination single . 1 'UNP residues 249-309, C3HC4 domain' 1 CYS 39 39 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 39 CYS SG . . . . ZN 11159 1 6 coordination single . 1 'UNP residues 249-309, C3HC4 domain' 1 CYS 42 42 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 42 CYS SG . . . . ZN 11159 1 7 coordination single . 1 'UNP residues 249-309, C3HC4 domain' 1 CYS 55 55 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 55 CYS SG . . . . ZN 11159 1 8 coordination single . 1 'UNP residues 249-309, C3HC4 domain' 1 CYS 58 58 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 58 CYS SG . . . . ZN 11159 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 55 55 HG . 55 CYS HG 11159 1 . . 1 1 CYS 58 58 HG . 58 CYS HG 11159 1 . . 1 1 CYS 39 39 HG . 39 CYS HG 11159 1 . . 1 1 CYS 42 42 HG . 42 CYS HG 11159 1 . . 1 1 CYS 33 33 HG . 33 CYS HG 11159 1 . . 1 1 CYS 34 34 HG . 34 CYS HG 11159 1 . . 1 1 CYS 18 18 HG . 18 CYS HG 11159 1 . . 1 1 CYS 21 21 HG . 21 CYS HG 11159 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 2yur . . . . . . 11159 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11159 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'UNP residues 249-309, C3HC4 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 ; GSSGSSGEDDPIPDELLCLI CKDIMTDAVVIPCCGNSYCD ECIRTALLESDEHTCPTCHQ NDVSPDALSGPSSG ; _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 74 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all 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 BMRB 17466 . E3_UBIQUITIN-PROTEIN_LIGASE_RBBP6 . . . . . 82.43 92 100.00 100.00 2.76e-35 . . . . 11159 1 2 no BMRB 17772 . E3_UBIQUITIN-PROTEIN_LIGASE_RBBP6 . . . . . 82.43 92 100.00 100.00 2.76e-35 . . . . 11159 1 3 no PDB 2YUR . "Solution Structure Of The Ring Finger Of Human Retinoblastoma-Binding Protein 6" . . . . . 100.00 74 100.00 100.00 2.56e-43 . . . . 11159 1 4 no PDB 3ZTG . "Solution Structure Of The Ring Finger-Like Domain Of Retinoblastoma Binding Protein-6 (Rbbp6)" . . . . . 83.78 92 98.39 98.39 2.48e-35 . . . . 11159 1 5 no DBJ BAC77636 . "retinoblastoma binding protein 6 isoform 1 [Homo sapiens]" . . . . . 89.19 1792 96.97 96.97 4.47e-35 . . . . 11159 1 6 no DBJ BAC77637 . "retinoblastoma binding protein 6 isoform 2 [Homo sapiens]" . . . . . 89.19 1758 96.97 96.97 7.66e-35 . . . . 11159 1 7 no DBJ BAG64162 . "unnamed protein product [Homo sapiens]" . . . . . 89.19 1008 96.97 96.97 6.73e-35 . . . . 11159 1 8 no EMBL CAA59445 . "RB protein binding protein [Homo sapiens]" . . . . . 89.19 948 96.97 96.97 5.59e-36 . . . . 11159 1 9 no GB AAB49620 . "PACT [Mus musculus]" . . . . . 75.68 1587 100.00 100.00 2.95e-30 . . . . 11159 1 10 no GB AAC72432 . "proliferation potential-related protein [Mus musculus]" . . . . . 89.19 1560 96.97 96.97 1.59e-34 . . . . 11159 1 11 no GB AAH63524 . "RBBP6 protein, partial [Homo sapiens]" . . . . . 89.19 919 96.97 96.97 7.77e-36 . . . . 11159 1 12 no GB AAI72357 . "Retinoblastoma binding protein 6 [synthetic construct]" . . . . . 89.19 1792 96.97 96.97 4.47e-35 . . . . 11159 1 13 no GB AAL05625 . "proliferation potential-related protein [Homo sapiens]" . . . . . 89.19 1616 96.97 96.97 1.97e-35 . . . . 11159 1 14 no REF NP_001291483 . "retinoblastoma binding protein 6 [Bos taurus]" . . . . . 89.19 1797 96.97 96.97 6.65e-35 . . . . 11159 1 15 no REF NP_008841 . "E3 ubiquitin-protein ligase RBBP6 isoform 1 [Homo sapiens]" . . . . . 89.19 1792 96.97 96.97 4.47e-35 . . . . 11159 1 16 no REF NP_035377 . "E3 ubiquitin-protein ligase RBBP6 isoform 1 [Mus musculus]" . . . . . 89.19 1790 96.97 96.97 1.39e-34 . . . . 11159 1 17 no REF NP_061173 . "E3 ubiquitin-protein ligase RBBP6 isoform 2 [Homo sapiens]" . . . . . 89.19 1758 96.97 96.97 7.66e-35 . . . . 11159 1 18 no REF XP_001076339 . "PREDICTED: E3 ubiquitin-protein ligase RBBP6 isoform X1 [Rattus norvegicus]" . . . . . 89.19 1789 96.97 96.97 1.28e-34 . . . . 11159 1 19 no SP P97868 . "RecName: Full=E3 ubiquitin-protein ligase RBBP6; AltName: Full=Proliferation potential-related protein; AltName: Full=Protein P" . . . . . 89.19 1790 96.97 96.97 1.39e-34 . . . . 11159 1 20 no SP Q7Z6E9 . "RecName: Full=E3 ubiquitin-protein ligase RBBP6; AltName: Full=Proliferation potential-related protein; AltName: Full=Protein P" . . . . . 89.19 1792 96.97 96.97 4.47e-35 . . . . 11159 1 21 no TPG DAA15466 . "TPA: retinoblastoma binding protein 6 [Bos taurus]" . . . . . 89.19 957 96.97 96.97 8.35e-36 . . . . 11159 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'UNP residues 249-309, C3HC4 domain' . 11159 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 . 11159 1 2 . SER . 11159 1 3 . SER . 11159 1 4 . GLY . 11159 1 5 . SER . 11159 1 6 . SER . 11159 1 7 . GLY . 11159 1 8 . GLU . 11159 1 9 . ASP . 11159 1 10 . ASP . 11159 1 11 . PRO . 11159 1 12 . ILE . 11159 1 13 . PRO . 11159 1 14 . ASP . 11159 1 15 . GLU . 11159 1 16 . LEU . 11159 1 17 . LEU . 11159 1 18 . CYS . 11159 1 19 . LEU . 11159 1 20 . ILE . 11159 1 21 . CYS . 11159 1 22 . LYS . 11159 1 23 . ASP . 11159 1 24 . ILE . 11159 1 25 . MET . 11159 1 26 . THR . 11159 1 27 . ASP . 11159 1 28 . ALA . 11159 1 29 . VAL . 11159 1 30 . VAL . 11159 1 31 . ILE . 11159 1 32 . PRO . 11159 1 33 . CYS . 11159 1 34 . CYS . 11159 1 35 . GLY . 11159 1 36 . ASN . 11159 1 37 . SER . 11159 1 38 . TYR . 11159 1 39 . CYS . 11159 1 40 . ASP . 11159 1 41 . GLU . 11159 1 42 . CYS . 11159 1 43 . ILE . 11159 1 44 . ARG . 11159 1 45 . THR . 11159 1 46 . ALA . 11159 1 47 . LEU . 11159 1 48 . LEU . 11159 1 49 . GLU . 11159 1 50 . SER . 11159 1 51 . ASP . 11159 1 52 . GLU . 11159 1 53 . HIS . 11159 1 54 . THR . 11159 1 55 . CYS . 11159 1 56 . PRO . 11159 1 57 . THR . 11159 1 58 . CYS . 11159 1 59 . HIS . 11159 1 60 . GLN . 11159 1 61 . ASN . 11159 1 62 . ASP . 11159 1 63 . VAL . 11159 1 64 . SER . 11159 1 65 . PRO . 11159 1 66 . ASP . 11159 1 67 . ALA . 11159 1 68 . LEU . 11159 1 69 . SER . 11159 1 70 . GLY . 11159 1 71 . PRO . 11159 1 72 . SER . 11159 1 73 . SER . 11159 1 74 . GLY . 11159 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 11159 1 . SER 2 2 11159 1 . SER 3 3 11159 1 . GLY 4 4 11159 1 . SER 5 5 11159 1 . SER 6 6 11159 1 . GLY 7 7 11159 1 . GLU 8 8 11159 1 . ASP 9 9 11159 1 . ASP 10 10 11159 1 . PRO 11 11 11159 1 . ILE 12 12 11159 1 . PRO 13 13 11159 1 . ASP 14 14 11159 1 . GLU 15 15 11159 1 . LEU 16 16 11159 1 . LEU 17 17 11159 1 . CYS 18 18 11159 1 . LEU 19 19 11159 1 . ILE 20 20 11159 1 . CYS 21 21 11159 1 . LYS 22 22 11159 1 . ASP 23 23 11159 1 . ILE 24 24 11159 1 . MET 25 25 11159 1 . THR 26 26 11159 1 . ASP 27 27 11159 1 . ALA 28 28 11159 1 . VAL 29 29 11159 1 . VAL 30 30 11159 1 . ILE 31 31 11159 1 . PRO 32 32 11159 1 . CYS 33 33 11159 1 . CYS 34 34 11159 1 . GLY 35 35 11159 1 . ASN 36 36 11159 1 . SER 37 37 11159 1 . TYR 38 38 11159 1 . CYS 39 39 11159 1 . ASP 40 40 11159 1 . GLU 41 41 11159 1 . CYS 42 42 11159 1 . ILE 43 43 11159 1 . ARG 44 44 11159 1 . THR 45 45 11159 1 . ALA 46 46 11159 1 . LEU 47 47 11159 1 . LEU 48 48 11159 1 . GLU 49 49 11159 1 . SER 50 50 11159 1 . ASP 51 51 11159 1 . GLU 52 52 11159 1 . HIS 53 53 11159 1 . THR 54 54 11159 1 . CYS 55 55 11159 1 . PRO 56 56 11159 1 . THR 57 57 11159 1 . CYS 58 58 11159 1 . HIS 59 59 11159 1 . GLN 60 60 11159 1 . ASN 61 61 11159 1 . ASP 62 62 11159 1 . VAL 63 63 11159 1 . SER 64 64 11159 1 . PRO 65 65 11159 1 . ASP 66 66 11159 1 . ALA 67 67 11159 1 . LEU 68 68 11159 1 . SER 69 69 11159 1 . GLY 70 70 11159 1 . PRO 71 71 11159 1 . SER 72 72 11159 1 . SER 73 73 11159 1 . GLY 74 74 11159 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11159 _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 . 11159 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 11159 _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 . . . . . . . . . . . . . . . . . . . . . 11159 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 11159 _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' . . 562 Escherichia coli . . . . . . . . . . . . . . . . P060731-05 . . . . . . 11159 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 11159 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code 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 11159 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11159 ZN [Zn++] SMILES CACTVS 3.341 11159 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11159 ZN [Zn+2] SMILES ACDLabs 10.04 11159 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11159 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11159 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 11159 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11159 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 . . . . . . . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 . . 11159 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11159 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.18mM {Protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.05mM Zncl2+1mM {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 'UNP residues 249-309, C3HC4 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.18 . . mM . . . . 11159 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11159 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11159 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11159 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11159 1 6 ZnCl2 'natural abundance' . . . . . salt 0.05 . . mM . . . . 11159 1 7 IDA 'natural abundance' . . . . . salt 1 . . mM . . . . 11159 1 8 H2O . . . . . . solvent 90 . . % . . . . 11159 1 9 D2O . . . . . . solvent 10 . . % . . . . 11159 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 11159 _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 11159 1 pH 7.0 0.05 pH 11159 1 pressure 1 0.001 atm 11159 1 temperature 296 0.1 K 11159 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11159 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11159 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11159 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11159 _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.' . . 11159 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11159 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11159 _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.' . . 11159 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11159 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11159 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9747 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11159 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11159 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11159 _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.' . . 11159 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11159 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 11159 _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 11159 _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 . . . 11159 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 11159 _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 . . . . . . . . . . . . . . . . 11159 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11159 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 11159 _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 . . . . . . . . . 11159 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11159 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11159 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 11159 _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 11159 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11159 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 . . 11159 1 2 $NMRPipe . . 11159 1 3 $NMRView . . 11159 1 4 $Kujira . . 11159 1 5 $CYANA . . 11159 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 7 7 GLY HA2 H 1 4.002 0.030 . 1 . . . . 7 GLY HA2 . 11159 1 2 . 1 1 7 7 GLY HA3 H 1 4.002 0.030 . 1 . . . . 7 GLY HA3 . 11159 1 3 . 1 1 7 7 GLY C C 13 174.365 0.300 . 1 . . . . 7 GLY C . 11159 1 4 . 1 1 7 7 GLY CA C 13 45.466 0.300 . 1 . . . . 7 GLY CA . 11159 1 5 . 1 1 8 8 GLU H H 1 8.309 0.030 . 1 . . . . 8 GLU H . 11159 1 6 . 1 1 8 8 GLU HA H 1 4.302 0.030 . 1 . . . . 8 GLU HA . 11159 1 7 . 1 1 8 8 GLU HB2 H 1 1.892 0.030 . 2 . . . . 8 GLU HB2 . 11159 1 8 . 1 1 8 8 GLU HB3 H 1 2.074 0.030 . 2 . . . . 8 GLU HB3 . 11159 1 9 . 1 1 8 8 GLU HG2 H 1 2.245 0.030 . 1 . . . . 8 GLU HG2 . 11159 1 10 . 1 1 8 8 GLU HG3 H 1 2.245 0.030 . 1 . . . . 8 GLU HG3 . 11159 1 11 . 1 1 8 8 GLU C C 13 176.260 0.300 . 1 . . . . 8 GLU C . 11159 1 12 . 1 1 8 8 GLU CA C 13 56.592 0.300 . 1 . . . . 8 GLU CA . 11159 1 13 . 1 1 8 8 GLU CB C 13 30.365 0.300 . 1 . . . . 8 GLU CB . 11159 1 14 . 1 1 8 8 GLU CG C 13 36.226 0.300 . 1 . . . . 8 GLU CG . 11159 1 15 . 1 1 8 8 GLU N N 15 120.407 0.300 . 1 . . . . 8 GLU N . 11159 1 16 . 1 1 9 9 ASP H H 1 8.359 0.030 . 1 . . . . 9 ASP H . 11159 1 17 . 1 1 9 9 ASP HA H 1 4.616 0.030 . 1 . . . . 9 ASP HA . 11159 1 18 . 1 1 9 9 ASP HB2 H 1 2.555 0.030 . 2 . . . . 9 ASP HB2 . 11159 1 19 . 1 1 9 9 ASP HB3 H 1 2.700 0.030 . 2 . . . . 9 ASP HB3 . 11159 1 20 . 1 1 9 9 ASP C C 13 175.704 0.300 . 1 . . . . 9 ASP C . 11159 1 21 . 1 1 9 9 ASP CA C 13 54.236 0.300 . 1 . . . . 9 ASP CA . 11159 1 22 . 1 1 9 9 ASP CB C 13 41.233 0.300 . 1 . . . . 9 ASP CB . 11159 1 23 . 1 1 9 9 ASP N N 15 120.571 0.300 . 1 . . . . 9 ASP N . 11159 1 24 . 1 1 10 10 ASP H H 1 8.196 0.030 . 1 . . . . 10 ASP H . 11159 1 25 . 1 1 10 10 ASP HA H 1 4.833 0.030 . 1 . . . . 10 ASP HA . 11159 1 26 . 1 1 10 10 ASP HB2 H 1 2.680 0.030 . 2 . . . . 10 ASP HB2 . 11159 1 27 . 1 1 10 10 ASP HB3 H 1 2.478 0.030 . 2 . . . . 10 ASP HB3 . 11159 1 28 . 1 1 10 10 ASP C C 13 174.050 0.300 . 1 . . . . 10 ASP C . 11159 1 29 . 1 1 10 10 ASP CA C 13 52.856 0.300 . 1 . . . . 10 ASP CA . 11159 1 30 . 1 1 10 10 ASP CB C 13 40.484 0.300 . 1 . . . . 10 ASP CB . 11159 1 31 . 1 1 10 10 ASP N N 15 121.946 0.300 . 1 . . . . 10 ASP N . 11159 1 32 . 1 1 11 11 PRO HA H 1 4.431 0.030 . 1 . . . . 11 PRO HA . 11159 1 33 . 1 1 11 11 PRO HB2 H 1 1.836 0.030 . 2 . . . . 11 PRO HB2 . 11159 1 34 . 1 1 11 11 PRO HB3 H 1 2.247 0.030 . 2 . . . . 11 PRO HB3 . 11159 1 35 . 1 1 11 11 PRO HD2 H 1 3.675 0.030 . 2 . . . . 11 PRO HD2 . 11159 1 36 . 1 1 11 11 PRO HD3 H 1 3.810 0.030 . 2 . . . . 11 PRO HD3 . 11159 1 37 . 1 1 11 11 PRO HG2 H 1 2.003 0.030 . 1 . . . . 11 PRO HG2 . 11159 1 38 . 1 1 11 11 PRO HG3 H 1 2.003 0.030 . 1 . . . . 11 PRO HG3 . 11159 1 39 . 1 1 11 11 PRO C C 13 176.770 0.300 . 1 . . . . 11 PRO C . 11159 1 40 . 1 1 11 11 PRO CA C 13 62.828 0.300 . 1 . . . . 11 PRO CA . 11159 1 41 . 1 1 11 11 PRO CB C 13 32.076 0.300 . 1 . . . . 11 PRO CB . 11159 1 42 . 1 1 11 11 PRO CD C 13 50.530 0.300 . 1 . . . . 11 PRO CD . 11159 1 43 . 1 1 11 11 PRO CG C 13 27.299 0.300 . 1 . . . . 11 PRO CG . 11159 1 44 . 1 1 12 12 ILE H H 1 8.367 0.030 . 1 . . . . 12 ILE H . 11159 1 45 . 1 1 12 12 ILE HA H 1 4.384 0.030 . 1 . . . . 12 ILE HA . 11159 1 46 . 1 1 12 12 ILE HB H 1 1.828 0.030 . 1 . . . . 12 ILE HB . 11159 1 47 . 1 1 12 12 ILE HD11 H 1 0.879 0.030 . 1 . . . . 12 ILE HD1 . 11159 1 48 . 1 1 12 12 ILE HD12 H 1 0.879 0.030 . 1 . . . . 12 ILE HD1 . 11159 1 49 . 1 1 12 12 ILE HD13 H 1 0.879 0.030 . 1 . . . . 12 ILE HD1 . 11159 1 50 . 1 1 12 12 ILE HG12 H 1 1.568 0.030 . 2 . . . . 12 ILE HG12 . 11159 1 51 . 1 1 12 12 ILE HG13 H 1 1.212 0.030 . 2 . . . . 12 ILE HG13 . 11159 1 52 . 1 1 12 12 ILE HG21 H 1 0.953 0.030 . 1 . . . . 12 ILE HG2 . 11159 1 53 . 1 1 12 12 ILE HG22 H 1 0.953 0.030 . 1 . . . . 12 ILE HG2 . 11159 1 54 . 1 1 12 12 ILE HG23 H 1 0.953 0.030 . 1 . . . . 12 ILE HG2 . 11159 1 55 . 1 1 12 12 ILE C C 13 174.778 0.300 . 1 . . . . 12 ILE C . 11159 1 56 . 1 1 12 12 ILE CA C 13 58.653 0.300 . 1 . . . . 12 ILE CA . 11159 1 57 . 1 1 12 12 ILE CB C 13 38.655 0.300 . 1 . . . . 12 ILE CB . 11159 1 58 . 1 1 12 12 ILE CD1 C 13 12.768 0.300 . 1 . . . . 12 ILE CD1 . 11159 1 59 . 1 1 12 12 ILE CG1 C 13 27.217 0.300 . 1 . . . . 12 ILE CG1 . 11159 1 60 . 1 1 12 12 ILE CG2 C 13 17.271 0.300 . 1 . . . . 12 ILE CG2 . 11159 1 61 . 1 1 12 12 ILE N N 15 123.754 0.300 . 1 . . . . 12 ILE N . 11159 1 62 . 1 1 13 13 PRO HA H 1 4.383 0.030 . 1 . . . . 13 PRO HA . 11159 1 63 . 1 1 13 13 PRO HB2 H 1 2.322 0.030 . 2 . . . . 13 PRO HB2 . 11159 1 64 . 1 1 13 13 PRO HB3 H 1 1.917 0.030 . 2 . . . . 13 PRO HB3 . 11159 1 65 . 1 1 13 13 PRO HD2 H 1 3.911 0.030 . 2 . . . . 13 PRO HD2 . 11159 1 66 . 1 1 13 13 PRO HD3 H 1 3.664 0.030 . 2 . . . . 13 PRO HD3 . 11159 1 67 . 1 1 13 13 PRO HG2 H 1 1.989 0.030 . 2 . . . . 13 PRO HG2 . 11159 1 68 . 1 1 13 13 PRO HG3 H 1 2.036 0.030 . 2 . . . . 13 PRO HG3 . 11159 1 69 . 1 1 13 13 PRO C C 13 176.745 0.300 . 1 . . . . 13 PRO C . 11159 1 70 . 1 1 13 13 PRO CA C 13 63.278 0.300 . 1 . . . . 13 PRO CA . 11159 1 71 . 1 1 13 13 PRO CB C 13 32.245 0.300 . 1 . . . . 13 PRO CB . 11159 1 72 . 1 1 13 13 PRO CD C 13 51.149 0.300 . 1 . . . . 13 PRO CD . 11159 1 73 . 1 1 13 13 PRO CG C 13 27.551 0.300 . 1 . . . . 13 PRO CG . 11159 1 74 . 1 1 14 14 ASP H H 1 8.362 0.030 . 1 . . . . 14 ASP H . 11159 1 75 . 1 1 14 14 ASP HA H 1 4.392 0.030 . 1 . . . . 14 ASP HA . 11159 1 76 . 1 1 14 14 ASP HB2 H 1 2.648 0.030 . 2 . . . . 14 ASP HB2 . 11159 1 77 . 1 1 14 14 ASP HB3 H 1 2.552 0.030 . 2 . . . . 14 ASP HB3 . 11159 1 78 . 1 1 14 14 ASP C C 13 177.152 0.300 . 1 . . . . 14 ASP C . 11159 1 79 . 1 1 14 14 ASP CA C 13 55.686 0.300 . 1 . . . . 14 ASP CA . 11159 1 80 . 1 1 14 14 ASP CB C 13 41.202 0.300 . 1 . . . . 14 ASP CB . 11159 1 81 . 1 1 14 14 ASP N N 15 121.359 0.300 . 1 . . . . 14 ASP N . 11159 1 82 . 1 1 15 15 GLU H H 1 8.618 0.030 . 1 . . . . 15 GLU H . 11159 1 83 . 1 1 15 15 GLU HA H 1 4.225 0.030 . 1 . . . . 15 GLU HA . 11159 1 84 . 1 1 15 15 GLU HB2 H 1 1.992 0.030 . 2 . . . . 15 GLU HB2 . 11159 1 85 . 1 1 15 15 GLU HB3 H 1 1.933 0.030 . 2 . . . . 15 GLU HB3 . 11159 1 86 . 1 1 15 15 GLU HG2 H 1 2.237 0.030 . 2 . . . . 15 GLU HG2 . 11159 1 87 . 1 1 15 15 GLU HG3 H 1 2.186 0.030 . 2 . . . . 15 GLU HG3 . 11159 1 88 . 1 1 15 15 GLU C C 13 176.162 0.300 . 1 . . . . 15 GLU C . 11159 1 89 . 1 1 15 15 GLU CA C 13 57.134 0.300 . 1 . . . . 15 GLU CA . 11159 1 90 . 1 1 15 15 GLU CB C 13 29.845 0.300 . 1 . . . . 15 GLU CB . 11159 1 91 . 1 1 15 15 GLU CG C 13 36.186 0.300 . 1 . . . . 15 GLU CG . 11159 1 92 . 1 1 15 15 GLU N N 15 119.353 0.300 . 1 . . . . 15 GLU N . 11159 1 93 . 1 1 16 16 LEU H H 1 8.110 0.030 . 1 . . . . 16 LEU H . 11159 1 94 . 1 1 16 16 LEU HA H 1 4.312 0.030 . 1 . . . . 16 LEU HA . 11159 1 95 . 1 1 16 16 LEU HB2 H 1 1.602 0.030 . 1 . . . . 16 LEU HB2 . 11159 1 96 . 1 1 16 16 LEU HB3 H 1 1.602 0.030 . 1 . . . . 16 LEU HB3 . 11159 1 97 . 1 1 16 16 LEU HD11 H 1 0.908 0.030 . 1 . . . . 16 LEU HD1 . 11159 1 98 . 1 1 16 16 LEU HD12 H 1 0.908 0.030 . 1 . . . . 16 LEU HD1 . 11159 1 99 . 1 1 16 16 LEU HD13 H 1 0.908 0.030 . 1 . . . . 16 LEU HD1 . 11159 1 100 . 1 1 16 16 LEU HD21 H 1 0.826 0.030 . 1 . . . . 16 LEU HD2 . 11159 1 101 . 1 1 16 16 LEU HD22 H 1 0.826 0.030 . 1 . . . . 16 LEU HD2 . 11159 1 102 . 1 1 16 16 LEU HD23 H 1 0.826 0.030 . 1 . . . . 16 LEU HD2 . 11159 1 103 . 1 1 16 16 LEU HG H 1 1.561 0.030 . 1 . . . . 16 LEU HG . 11159 1 104 . 1 1 16 16 LEU C C 13 175.803 0.300 . 1 . . . . 16 LEU C . 11159 1 105 . 1 1 16 16 LEU CA C 13 54.783 0.300 . 1 . . . . 16 LEU CA . 11159 1 106 . 1 1 16 16 LEU CB C 13 42.380 0.300 . 1 . . . . 16 LEU CB . 11159 1 107 . 1 1 16 16 LEU CD1 C 13 24.906 0.300 . 2 . . . . 16 LEU CD1 . 11159 1 108 . 1 1 16 16 LEU CD2 C 13 23.227 0.300 . 2 . . . . 16 LEU CD2 . 11159 1 109 . 1 1 16 16 LEU CG C 13 27.119 0.300 . 1 . . . . 16 LEU CG . 11159 1 110 . 1 1 16 16 LEU N N 15 121.689 0.300 . 1 . . . . 16 LEU N . 11159 1 111 . 1 1 17 17 LEU H H 1 7.663 0.030 . 1 . . . . 17 LEU H . 11159 1 112 . 1 1 17 17 LEU HA H 1 4.520 0.030 . 1 . . . . 17 LEU HA . 11159 1 113 . 1 1 17 17 LEU HB2 H 1 1.599 0.030 . 2 . . . . 17 LEU HB2 . 11159 1 114 . 1 1 17 17 LEU HB3 H 1 0.977 0.030 . 2 . . . . 17 LEU HB3 . 11159 1 115 . 1 1 17 17 LEU HD11 H 1 0.803 0.030 . 1 . . . . 17 LEU HD1 . 11159 1 116 . 1 1 17 17 LEU HD12 H 1 0.803 0.030 . 1 . . . . 17 LEU HD1 . 11159 1 117 . 1 1 17 17 LEU HD13 H 1 0.803 0.030 . 1 . . . . 17 LEU HD1 . 11159 1 118 . 1 1 17 17 LEU HD21 H 1 0.622 0.030 . 1 . . . . 17 LEU HD2 . 11159 1 119 . 1 1 17 17 LEU HD22 H 1 0.622 0.030 . 1 . . . . 17 LEU HD2 . 11159 1 120 . 1 1 17 17 LEU HD23 H 1 0.622 0.030 . 1 . . . . 17 LEU HD2 . 11159 1 121 . 1 1 17 17 LEU HG H 1 1.536 0.030 . 1 . . . . 17 LEU HG . 11159 1 122 . 1 1 17 17 LEU C C 13 176.630 0.300 . 1 . . . . 17 LEU C . 11159 1 123 . 1 1 17 17 LEU CA C 13 53.223 0.300 . 1 . . . . 17 LEU CA . 11159 1 124 . 1 1 17 17 LEU CB C 13 43.252 0.300 . 1 . . . . 17 LEU CB . 11159 1 125 . 1 1 17 17 LEU CD1 C 13 25.320 0.300 . 2 . . . . 17 LEU CD1 . 11159 1 126 . 1 1 17 17 LEU CD2 C 13 22.694 0.300 . 2 . . . . 17 LEU CD2 . 11159 1 127 . 1 1 17 17 LEU CG C 13 26.398 0.300 . 1 . . . . 17 LEU CG . 11159 1 128 . 1 1 17 17 LEU N N 15 120.498 0.300 . 1 . . . . 17 LEU N . 11159 1 129 . 1 1 18 18 CYS H H 1 8.756 0.030 . 1 . . . . 18 CYS H . 11159 1 130 . 1 1 18 18 CYS HA H 1 4.340 0.030 . 1 . . . . 18 CYS HA . 11159 1 131 . 1 1 18 18 CYS HB2 H 1 3.592 0.030 . 2 . . . . 18 CYS HB2 . 11159 1 132 . 1 1 18 18 CYS HB3 H 1 3.235 0.030 . 2 . . . . 18 CYS HB3 . 11159 1 133 . 1 1 18 18 CYS C C 13 178.542 0.300 . 1 . . . . 18 CYS C . 11159 1 134 . 1 1 18 18 CYS CA C 13 60.037 0.300 . 1 . . . . 18 CYS CA . 11159 1 135 . 1 1 18 18 CYS CB C 13 33.617 0.300 . 1 . . . . 18 CYS CB . 11159 1 136 . 1 1 18 18 CYS N N 15 125.934 0.300 . 1 . . . . 18 CYS N . 11159 1 137 . 1 1 19 19 LEU H H 1 7.269 0.030 . 1 . . . . 19 LEU H . 11159 1 138 . 1 1 19 19 LEU HA H 1 4.144 0.030 . 1 . . . . 19 LEU HA . 11159 1 139 . 1 1 19 19 LEU HB2 H 1 1.708 0.030 . 2 . . . . 19 LEU HB2 . 11159 1 140 . 1 1 19 19 LEU HB3 H 1 1.677 0.030 . 2 . . . . 19 LEU HB3 . 11159 1 141 . 1 1 19 19 LEU HD11 H 1 0.859 0.030 . 1 . . . . 19 LEU HD1 . 11159 1 142 . 1 1 19 19 LEU HD12 H 1 0.859 0.030 . 1 . . . . 19 LEU HD1 . 11159 1 143 . 1 1 19 19 LEU HD13 H 1 0.859 0.030 . 1 . . . . 19 LEU HD1 . 11159 1 144 . 1 1 19 19 LEU HD21 H 1 0.869 0.030 . 1 . . . . 19 LEU HD2 . 11159 1 145 . 1 1 19 19 LEU HD22 H 1 0.869 0.030 . 1 . . . . 19 LEU HD2 . 11159 1 146 . 1 1 19 19 LEU HD23 H 1 0.869 0.030 . 1 . . . . 19 LEU HD2 . 11159 1 147 . 1 1 19 19 LEU HG H 1 1.819 0.030 . 1 . . . . 19 LEU HG . 11159 1 148 . 1 1 19 19 LEU C C 13 177.980 0.300 . 1 . . . . 19 LEU C . 11159 1 149 . 1 1 19 19 LEU CA C 13 57.574 0.300 . 1 . . . . 19 LEU CA . 11159 1 150 . 1 1 19 19 LEU CB C 13 42.874 0.300 . 1 . . . . 19 LEU CB . 11159 1 151 . 1 1 19 19 LEU CD1 C 13 25.155 0.300 . 2 . . . . 19 LEU CD1 . 11159 1 152 . 1 1 19 19 LEU CD2 C 13 23.769 0.300 . 2 . . . . 19 LEU CD2 . 11159 1 153 . 1 1 19 19 LEU CG C 13 27.428 0.300 . 1 . . . . 19 LEU CG . 11159 1 154 . 1 1 19 19 LEU N N 15 128.213 0.300 . 1 . . . . 19 LEU N . 11159 1 155 . 1 1 20 20 ILE H H 1 9.404 0.030 . 1 . . . . 20 ILE H . 11159 1 156 . 1 1 20 20 ILE HA H 1 4.133 0.030 . 1 . . . . 20 ILE HA . 11159 1 157 . 1 1 20 20 ILE HB H 1 1.911 0.030 . 1 . . . . 20 ILE HB . 11159 1 158 . 1 1 20 20 ILE HD11 H 1 0.544 0.030 . 1 . . . . 20 ILE HD1 . 11159 1 159 . 1 1 20 20 ILE HD12 H 1 0.544 0.030 . 1 . . . . 20 ILE HD1 . 11159 1 160 . 1 1 20 20 ILE HD13 H 1 0.544 0.030 . 1 . . . . 20 ILE HD1 . 11159 1 161 . 1 1 20 20 ILE HG12 H 1 1.087 0.030 . 2 . . . . 20 ILE HG12 . 11159 1 162 . 1 1 20 20 ILE HG13 H 1 1.727 0.030 . 2 . . . . 20 ILE HG13 . 11159 1 163 . 1 1 20 20 ILE HG21 H 1 0.983 0.030 . 1 . . . . 20 ILE HG2 . 11159 1 164 . 1 1 20 20 ILE HG22 H 1 0.983 0.030 . 1 . . . . 20 ILE HG2 . 11159 1 165 . 1 1 20 20 ILE HG23 H 1 0.983 0.030 . 1 . . . . 20 ILE HG2 . 11159 1 166 . 1 1 20 20 ILE C C 13 176.748 0.300 . 1 . . . . 20 ILE C . 11159 1 167 . 1 1 20 20 ILE CA C 13 64.423 0.300 . 1 . . . . 20 ILE CA . 11159 1 168 . 1 1 20 20 ILE CB C 13 39.689 0.300 . 1 . . . . 20 ILE CB . 11159 1 169 . 1 1 20 20 ILE CD1 C 13 14.389 0.300 . 1 . . . . 20 ILE CD1 . 11159 1 170 . 1 1 20 20 ILE CG1 C 13 28.490 0.300 . 1 . . . . 20 ILE CG1 . 11159 1 171 . 1 1 20 20 ILE CG2 C 13 16.639 0.300 . 1 . . . . 20 ILE CG2 . 11159 1 172 . 1 1 20 20 ILE N N 15 121.083 0.300 . 1 . . . . 20 ILE N . 11159 1 173 . 1 1 21 21 CYS H H 1 8.712 0.030 . 1 . . . . 21 CYS H . 11159 1 174 . 1 1 21 21 CYS HA H 1 4.710 0.030 . 1 . . . . 21 CYS HA . 11159 1 175 . 1 1 21 21 CYS HB2 H 1 3.246 0.030 . 2 . . . . 21 CYS HB2 . 11159 1 176 . 1 1 21 21 CYS HB3 H 1 3.126 0.030 . 2 . . . . 21 CYS HB3 . 11159 1 177 . 1 1 21 21 CYS C C 13 176.278 0.300 . 1 . . . . 21 CYS C . 11159 1 178 . 1 1 21 21 CYS CA C 13 59.931 0.300 . 1 . . . . 21 CYS CA . 11159 1 179 . 1 1 21 21 CYS CB C 13 31.499 0.300 . 1 . . . . 21 CYS CB . 11159 1 180 . 1 1 21 21 CYS N N 15 120.118 0.300 . 1 . . . . 21 CYS N . 11159 1 181 . 1 1 22 22 LYS H H 1 7.779 0.030 . 1 . . . . 22 LYS H . 11159 1 182 . 1 1 22 22 LYS HA H 1 4.069 0.030 . 1 . . . . 22 LYS HA . 11159 1 183 . 1 1 22 22 LYS HB2 H 1 2.008 0.030 . 2 . . . . 22 LYS HB2 . 11159 1 184 . 1 1 22 22 LYS HB3 H 1 2.152 0.030 . 2 . . . . 22 LYS HB3 . 11159 1 185 . 1 1 22 22 LYS HD2 H 1 1.669 0.030 . 2 . . . . 22 LYS HD2 . 11159 1 186 . 1 1 22 22 LYS HD3 H 1 1.582 0.030 . 2 . . . . 22 LYS HD3 . 11159 1 187 . 1 1 22 22 LYS HE2 H 1 2.984 0.030 . 1 . . . . 22 LYS HE2 . 11159 1 188 . 1 1 22 22 LYS HE3 H 1 2.984 0.030 . 1 . . . . 22 LYS HE3 . 11159 1 189 . 1 1 22 22 LYS HG2 H 1 1.341 0.030 . 2 . . . . 22 LYS HG2 . 11159 1 190 . 1 1 22 22 LYS HG3 H 1 1.263 0.030 . 2 . . . . 22 LYS HG3 . 11159 1 191 . 1 1 22 22 LYS C C 13 173.455 0.300 . 1 . . . . 22 LYS C . 11159 1 192 . 1 1 22 22 LYS CA C 13 57.253 0.300 . 1 . . . . 22 LYS CA . 11159 1 193 . 1 1 22 22 LYS CB C 13 28.779 0.300 . 1 . . . . 22 LYS CB . 11159 1 194 . 1 1 22 22 LYS CD C 13 28.593 0.300 . 1 . . . . 22 LYS CD . 11159 1 195 . 1 1 22 22 LYS CE C 13 42.556 0.300 . 1 . . . . 22 LYS CE . 11159 1 196 . 1 1 22 22 LYS CG C 13 24.863 0.300 . 1 . . . . 22 LYS CG . 11159 1 197 . 1 1 22 22 LYS N N 15 116.395 0.300 . 1 . . . . 22 LYS N . 11159 1 198 . 1 1 23 23 ASP H H 1 8.199 0.030 . 1 . . . . 23 ASP H . 11159 1 199 . 1 1 23 23 ASP HA H 1 5.013 0.030 . 1 . . . . 23 ASP HA . 11159 1 200 . 1 1 23 23 ASP HB2 H 1 2.650 0.030 . 2 . . . . 23 ASP HB2 . 11159 1 201 . 1 1 23 23 ASP HB3 H 1 2.892 0.030 . 2 . . . . 23 ASP HB3 . 11159 1 202 . 1 1 23 23 ASP C C 13 175.679 0.300 . 1 . . . . 23 ASP C . 11159 1 203 . 1 1 23 23 ASP CA C 13 51.689 0.300 . 1 . . . . 23 ASP CA . 11159 1 204 . 1 1 23 23 ASP CB C 13 43.979 0.300 . 1 . . . . 23 ASP CB . 11159 1 205 . 1 1 23 23 ASP N N 15 120.553 0.300 . 1 . . . . 23 ASP N . 11159 1 206 . 1 1 24 24 ILE H H 1 8.748 0.030 . 1 . . . . 24 ILE H . 11159 1 207 . 1 1 24 24 ILE HA H 1 3.938 0.030 . 1 . . . . 24 ILE HA . 11159 1 208 . 1 1 24 24 ILE HB H 1 1.677 0.030 . 1 . . . . 24 ILE HB . 11159 1 209 . 1 1 24 24 ILE HD11 H 1 0.873 0.030 . 1 . . . . 24 ILE HD1 . 11159 1 210 . 1 1 24 24 ILE HD12 H 1 0.873 0.030 . 1 . . . . 24 ILE HD1 . 11159 1 211 . 1 1 24 24 ILE HD13 H 1 0.873 0.030 . 1 . . . . 24 ILE HD1 . 11159 1 212 . 1 1 24 24 ILE HG12 H 1 1.565 0.030 . 2 . . . . 24 ILE HG12 . 11159 1 213 . 1 1 24 24 ILE HG13 H 1 1.122 0.030 . 2 . . . . 24 ILE HG13 . 11159 1 214 . 1 1 24 24 ILE HG21 H 1 0.907 0.030 . 1 . . . . 24 ILE HG2 . 11159 1 215 . 1 1 24 24 ILE HG22 H 1 0.907 0.030 . 1 . . . . 24 ILE HG2 . 11159 1 216 . 1 1 24 24 ILE HG23 H 1 0.907 0.030 . 1 . . . . 24 ILE HG2 . 11159 1 217 . 1 1 24 24 ILE C C 13 176.892 0.300 . 1 . . . . 24 ILE C . 11159 1 218 . 1 1 24 24 ILE CA C 13 61.975 0.300 . 1 . . . . 24 ILE CA . 11159 1 219 . 1 1 24 24 ILE CB C 13 38.140 0.300 . 1 . . . . 24 ILE CB . 11159 1 220 . 1 1 24 24 ILE CD1 C 13 13.032 0.300 . 1 . . . . 24 ILE CD1 . 11159 1 221 . 1 1 24 24 ILE CG1 C 13 28.255 0.300 . 1 . . . . 24 ILE CG1 . 11159 1 222 . 1 1 24 24 ILE CG2 C 13 17.667 0.300 . 1 . . . . 24 ILE CG2 . 11159 1 223 . 1 1 24 24 ILE N N 15 120.264 0.300 . 1 . . . . 24 ILE N . 11159 1 224 . 1 1 25 25 MET H H 1 8.395 0.030 . 1 . . . . 25 MET H . 11159 1 225 . 1 1 25 25 MET HA H 1 4.845 0.030 . 1 . . . . 25 MET HA . 11159 1 226 . 1 1 25 25 MET HB2 H 1 2.087 0.030 . 2 . . . . 25 MET HB2 . 11159 1 227 . 1 1 25 25 MET HB3 H 1 1.572 0.030 . 2 . . . . 25 MET HB3 . 11159 1 228 . 1 1 25 25 MET HE1 H 1 1.792 0.030 . 1 . . . . 25 MET HE . 11159 1 229 . 1 1 25 25 MET HE2 H 1 1.792 0.030 . 1 . . . . 25 MET HE . 11159 1 230 . 1 1 25 25 MET HE3 H 1 1.792 0.030 . 1 . . . . 25 MET HE . 11159 1 231 . 1 1 25 25 MET HG2 H 1 2.824 0.030 . 2 . . . . 25 MET HG2 . 11159 1 232 . 1 1 25 25 MET HG3 H 1 2.575 0.030 . 2 . . . . 25 MET HG3 . 11159 1 233 . 1 1 25 25 MET C C 13 177.305 0.300 . 1 . . . . 25 MET C . 11159 1 234 . 1 1 25 25 MET CA C 13 56.924 0.300 . 1 . . . . 25 MET CA . 11159 1 235 . 1 1 25 25 MET CB C 13 35.161 0.300 . 1 . . . . 25 MET CB . 11159 1 236 . 1 1 25 25 MET CE C 13 16.889 0.300 . 1 . . . . 25 MET CE . 11159 1 237 . 1 1 25 25 MET CG C 13 32.704 0.300 . 1 . . . . 25 MET CG . 11159 1 238 . 1 1 25 25 MET N N 15 125.187 0.300 . 1 . . . . 25 MET N . 11159 1 239 . 1 1 26 26 THR H H 1 8.430 0.030 . 1 . . . . 26 THR H . 11159 1 240 . 1 1 26 26 THR HA H 1 4.363 0.030 . 1 . . . . 26 THR HA . 11159 1 241 . 1 1 26 26 THR HB H 1 4.141 0.030 . 1 . . . . 26 THR HB . 11159 1 242 . 1 1 26 26 THR HG21 H 1 1.223 0.030 . 1 . . . . 26 THR HG2 . 11159 1 243 . 1 1 26 26 THR HG22 H 1 1.223 0.030 . 1 . . . . 26 THR HG2 . 11159 1 244 . 1 1 26 26 THR HG23 H 1 1.223 0.030 . 1 . . . . 26 THR HG2 . 11159 1 245 . 1 1 26 26 THR C C 13 174.272 0.300 . 1 . . . . 26 THR C . 11159 1 246 . 1 1 26 26 THR CA C 13 62.203 0.300 . 1 . . . . 26 THR CA . 11159 1 247 . 1 1 26 26 THR CB C 13 69.748 0.300 . 1 . . . . 26 THR CB . 11159 1 248 . 1 1 26 26 THR CG2 C 13 21.352 0.300 . 1 . . . . 26 THR CG2 . 11159 1 249 . 1 1 26 26 THR N N 15 120.186 0.300 . 1 . . . . 26 THR N . 11159 1 250 . 1 1 27 27 ASP H H 1 8.889 0.030 . 1 . . . . 27 ASP H . 11159 1 251 . 1 1 27 27 ASP HA H 1 4.408 0.030 . 1 . . . . 27 ASP HA . 11159 1 252 . 1 1 27 27 ASP HB2 H 1 2.791 0.030 . 1 . . . . 27 ASP HB2 . 11159 1 253 . 1 1 27 27 ASP HB3 H 1 2.791 0.030 . 1 . . . . 27 ASP HB3 . 11159 1 254 . 1 1 27 27 ASP C C 13 173.861 0.300 . 1 . . . . 27 ASP C . 11159 1 255 . 1 1 27 27 ASP CA C 13 54.606 0.300 . 1 . . . . 27 ASP CA . 11159 1 256 . 1 1 27 27 ASP CB C 13 39.746 0.300 . 1 . . . . 27 ASP CB . 11159 1 257 . 1 1 27 27 ASP N N 15 126.953 0.300 . 1 . . . . 27 ASP N . 11159 1 258 . 1 1 28 28 ALA H H 1 8.061 0.030 . 1 . . . . 28 ALA H . 11159 1 259 . 1 1 28 28 ALA HA H 1 4.442 0.030 . 1 . . . . 28 ALA HA . 11159 1 260 . 1 1 28 28 ALA HB1 H 1 1.256 0.030 . 1 . . . . 28 ALA HB . 11159 1 261 . 1 1 28 28 ALA HB2 H 1 1.256 0.030 . 1 . . . . 28 ALA HB . 11159 1 262 . 1 1 28 28 ALA HB3 H 1 1.256 0.030 . 1 . . . . 28 ALA HB . 11159 1 263 . 1 1 28 28 ALA C C 13 178.700 0.300 . 1 . . . . 28 ALA C . 11159 1 264 . 1 1 28 28 ALA CA C 13 53.175 0.300 . 1 . . . . 28 ALA CA . 11159 1 265 . 1 1 28 28 ALA CB C 13 21.275 0.300 . 1 . . . . 28 ALA CB . 11159 1 266 . 1 1 28 28 ALA N N 15 121.516 0.300 . 1 . . . . 28 ALA N . 11159 1 267 . 1 1 29 29 VAL H H 1 9.220 0.030 . 1 . . . . 29 VAL H . 11159 1 268 . 1 1 29 29 VAL HA H 1 4.663 0.030 . 1 . . . . 29 VAL HA . 11159 1 269 . 1 1 29 29 VAL HB H 1 2.035 0.030 . 1 . . . . 29 VAL HB . 11159 1 270 . 1 1 29 29 VAL HG11 H 1 0.975 0.030 . 1 . . . . 29 VAL HG1 . 11159 1 271 . 1 1 29 29 VAL HG12 H 1 0.975 0.030 . 1 . . . . 29 VAL HG1 . 11159 1 272 . 1 1 29 29 VAL HG13 H 1 0.975 0.030 . 1 . . . . 29 VAL HG1 . 11159 1 273 . 1 1 29 29 VAL HG21 H 1 0.989 0.030 . 1 . . . . 29 VAL HG2 . 11159 1 274 . 1 1 29 29 VAL HG22 H 1 0.989 0.030 . 1 . . . . 29 VAL HG2 . 11159 1 275 . 1 1 29 29 VAL HG23 H 1 0.989 0.030 . 1 . . . . 29 VAL HG2 . 11159 1 276 . 1 1 29 29 VAL C C 13 173.849 0.300 . 1 . . . . 29 VAL C . 11159 1 277 . 1 1 29 29 VAL CA C 13 59.648 0.300 . 1 . . . . 29 VAL CA . 11159 1 278 . 1 1 29 29 VAL CB C 13 35.889 0.300 . 1 . . . . 29 VAL CB . 11159 1 279 . 1 1 29 29 VAL CG1 C 13 21.842 0.300 . 2 . . . . 29 VAL CG1 . 11159 1 280 . 1 1 29 29 VAL CG2 C 13 20.661 0.300 . 2 . . . . 29 VAL CG2 . 11159 1 281 . 1 1 29 29 VAL N N 15 117.887 0.300 . 1 . . . . 29 VAL N . 11159 1 282 . 1 1 30 30 VAL H H 1 8.444 0.030 . 1 . . . . 30 VAL H . 11159 1 283 . 1 1 30 30 VAL HA H 1 4.785 0.030 . 1 . . . . 30 VAL HA . 11159 1 284 . 1 1 30 30 VAL HB H 1 1.813 0.030 . 1 . . . . 30 VAL HB . 11159 1 285 . 1 1 30 30 VAL HG11 H 1 0.841 0.030 . 1 . . . . 30 VAL HG1 . 11159 1 286 . 1 1 30 30 VAL HG12 H 1 0.841 0.030 . 1 . . . . 30 VAL HG1 . 11159 1 287 . 1 1 30 30 VAL HG13 H 1 0.841 0.030 . 1 . . . . 30 VAL HG1 . 11159 1 288 . 1 1 30 30 VAL HG21 H 1 0.726 0.030 . 1 . . . . 30 VAL HG2 . 11159 1 289 . 1 1 30 30 VAL HG22 H 1 0.726 0.030 . 1 . . . . 30 VAL HG2 . 11159 1 290 . 1 1 30 30 VAL HG23 H 1 0.726 0.030 . 1 . . . . 30 VAL HG2 . 11159 1 291 . 1 1 30 30 VAL C C 13 176.521 0.300 . 1 . . . . 30 VAL C . 11159 1 292 . 1 1 30 30 VAL CA C 13 60.603 0.300 . 1 . . . . 30 VAL CA . 11159 1 293 . 1 1 30 30 VAL CB C 13 34.039 0.300 . 1 . . . . 30 VAL CB . 11159 1 294 . 1 1 30 30 VAL CG1 C 13 21.092 0.300 . 2 . . . . 30 VAL CG1 . 11159 1 295 . 1 1 30 30 VAL CG2 C 13 21.031 0.300 . 2 . . . . 30 VAL CG2 . 11159 1 296 . 1 1 30 30 VAL N N 15 120.791 0.300 . 1 . . . . 30 VAL N . 11159 1 297 . 1 1 31 31 ILE H H 1 8.858 0.030 . 1 . . . . 31 ILE H . 11159 1 298 . 1 1 31 31 ILE HA H 1 4.928 0.030 . 1 . . . . 31 ILE HA . 11159 1 299 . 1 1 31 31 ILE HB H 1 1.820 0.030 . 1 . . . . 31 ILE HB . 11159 1 300 . 1 1 31 31 ILE HD11 H 1 1.109 0.030 . 1 . . . . 31 ILE HD1 . 11159 1 301 . 1 1 31 31 ILE HD12 H 1 1.109 0.030 . 1 . . . . 31 ILE HD1 . 11159 1 302 . 1 1 31 31 ILE HD13 H 1 1.109 0.030 . 1 . . . . 31 ILE HD1 . 11159 1 303 . 1 1 31 31 ILE HG12 H 1 1.576 0.030 . 2 . . . . 31 ILE HG12 . 11159 1 304 . 1 1 31 31 ILE HG13 H 1 2.235 0.030 . 2 . . . . 31 ILE HG13 . 11159 1 305 . 1 1 31 31 ILE HG21 H 1 1.670 0.030 . 1 . . . . 31 ILE HG2 . 11159 1 306 . 1 1 31 31 ILE HG22 H 1 1.670 0.030 . 1 . . . . 31 ILE HG2 . 11159 1 307 . 1 1 31 31 ILE HG23 H 1 1.670 0.030 . 1 . . . . 31 ILE HG2 . 11159 1 308 . 1 1 31 31 ILE C C 13 175.628 0.300 . 1 . . . . 31 ILE C . 11159 1 309 . 1 1 31 31 ILE CA C 13 57.844 0.300 . 1 . . . . 31 ILE CA . 11159 1 310 . 1 1 31 31 ILE CB C 13 42.952 0.300 . 1 . . . . 31 ILE CB . 11159 1 311 . 1 1 31 31 ILE CD1 C 13 15.019 0.300 . 1 . . . . 31 ILE CD1 . 11159 1 312 . 1 1 31 31 ILE CG1 C 13 30.297 0.300 . 1 . . . . 31 ILE CG1 . 11159 1 313 . 1 1 31 31 ILE CG2 C 13 20.182 0.300 . 1 . . . . 31 ILE CG2 . 11159 1 314 . 1 1 31 31 ILE N N 15 131.104 0.300 . 1 . . . . 31 ILE N . 11159 1 315 . 1 1 32 32 PRO HA H 1 4.456 0.030 . 1 . . . . 32 PRO HA . 11159 1 316 . 1 1 32 32 PRO HB2 H 1 2.308 0.030 . 2 . . . . 32 PRO HB2 . 11159 1 317 . 1 1 32 32 PRO HB3 H 1 2.046 0.030 . 2 . . . . 32 PRO HB3 . 11159 1 318 . 1 1 32 32 PRO HD2 H 1 3.758 0.030 . 1 . . . . 32 PRO HD2 . 11159 1 319 . 1 1 32 32 PRO HD3 H 1 3.758 0.030 . 1 . . . . 32 PRO HD3 . 11159 1 320 . 1 1 32 32 PRO HG2 H 1 2.113 0.030 . 2 . . . . 32 PRO HG2 . 11159 1 321 . 1 1 32 32 PRO HG3 H 1 2.021 0.030 . 2 . . . . 32 PRO HG3 . 11159 1 322 . 1 1 32 32 PRO C C 13 177.094 0.300 . 1 . . . . 32 PRO C . 11159 1 323 . 1 1 32 32 PRO CA C 13 64.883 0.300 . 1 . . . . 32 PRO CA . 11159 1 324 . 1 1 32 32 PRO CB C 13 32.116 0.300 . 1 . . . . 32 PRO CB . 11159 1 325 . 1 1 32 32 PRO CD C 13 51.169 0.300 . 1 . . . . 32 PRO CD . 11159 1 326 . 1 1 32 32 PRO CG C 13 27.437 0.300 . 1 . . . . 32 PRO CG . 11159 1 327 . 1 1 33 33 CYS H H 1 8.459 0.030 . 1 . . . . 33 CYS H . 11159 1 328 . 1 1 33 33 CYS HA H 1 4.238 0.030 . 1 . . . . 33 CYS HA . 11159 1 329 . 1 1 33 33 CYS HB2 H 1 2.858 0.030 . 2 . . . . 33 CYS HB2 . 11159 1 330 . 1 1 33 33 CYS HB3 H 1 2.760 0.030 . 2 . . . . 33 CYS HB3 . 11159 1 331 . 1 1 33 33 CYS C C 13 177.581 0.300 . 1 . . . . 33 CYS C . 11159 1 332 . 1 1 33 33 CYS CA C 13 56.887 0.300 . 1 . . . . 33 CYS CA . 11159 1 333 . 1 1 33 33 CYS CB C 13 28.994 0.300 . 1 . . . . 33 CYS CB . 11159 1 334 . 1 1 33 33 CYS N N 15 123.104 0.300 . 1 . . . . 33 CYS N . 11159 1 335 . 1 1 34 34 CYS H H 1 8.377 0.030 . 1 . . . . 34 CYS H . 11159 1 336 . 1 1 34 34 CYS HA H 1 4.912 0.030 . 1 . . . . 34 CYS HA . 11159 1 337 . 1 1 34 34 CYS HB2 H 1 3.003 0.030 . 2 . . . . 34 CYS HB2 . 11159 1 338 . 1 1 34 34 CYS HB3 H 1 2.715 0.030 . 2 . . . . 34 CYS HB3 . 11159 1 339 . 1 1 34 34 CYS C C 13 177.696 0.300 . 1 . . . . 34 CYS C . 11159 1 340 . 1 1 34 34 CYS CA C 13 57.107 0.300 . 1 . . . . 34 CYS CA . 11159 1 341 . 1 1 34 34 CYS CB C 13 31.757 0.300 . 1 . . . . 34 CYS CB . 11159 1 342 . 1 1 34 34 CYS N N 15 116.378 0.300 . 1 . . . . 34 CYS N . 11159 1 343 . 1 1 35 35 GLY H H 1 8.009 0.030 . 1 . . . . 35 GLY H . 11159 1 344 . 1 1 35 35 GLY HA2 H 1 3.978 0.030 . 2 . . . . 35 GLY HA2 . 11159 1 345 . 1 1 35 35 GLY HA3 H 1 3.907 0.030 . 2 . . . . 35 GLY HA3 . 11159 1 346 . 1 1 35 35 GLY C C 13 174.151 0.300 . 1 . . . . 35 GLY C . 11159 1 347 . 1 1 35 35 GLY CA C 13 46.702 0.300 . 1 . . . . 35 GLY CA . 11159 1 348 . 1 1 35 35 GLY N N 15 112.194 0.300 . 1 . . . . 35 GLY N . 11159 1 349 . 1 1 36 36 ASN H H 1 7.226 0.030 . 1 . . . . 36 ASN H . 11159 1 350 . 1 1 36 36 ASN HA H 1 4.622 0.030 . 1 . . . . 36 ASN HA . 11159 1 351 . 1 1 36 36 ASN HB2 H 1 2.989 0.030 . 2 . . . . 36 ASN HB2 . 11159 1 352 . 1 1 36 36 ASN HB3 H 1 2.211 0.030 . 2 . . . . 36 ASN HB3 . 11159 1 353 . 1 1 36 36 ASN HD21 H 1 7.527 0.030 . 1 . . . . 36 ASN HD21 . 11159 1 354 . 1 1 36 36 ASN HD22 H 1 7.527 0.030 . 1 . . . . 36 ASN HD22 . 11159 1 355 . 1 1 36 36 ASN C C 13 172.531 0.300 . 1 . . . . 36 ASN C . 11159 1 356 . 1 1 36 36 ASN CA C 13 54.625 0.300 . 1 . . . . 36 ASN CA . 11159 1 357 . 1 1 36 36 ASN CB C 13 41.193 0.300 . 1 . . . . 36 ASN CB . 11159 1 358 . 1 1 36 36 ASN N N 15 118.577 0.300 . 1 . . . . 36 ASN N . 11159 1 359 . 1 1 36 36 ASN ND2 N 15 121.911 0.300 . 1 . . . . 36 ASN ND2 . 11159 1 360 . 1 1 37 37 SER H H 1 7.953 0.030 . 1 . . . . 37 SER H . 11159 1 361 . 1 1 37 37 SER HA H 1 5.808 0.030 . 1 . . . . 37 SER HA . 11159 1 362 . 1 1 37 37 SER HB2 H 1 3.518 0.030 . 1 . . . . 37 SER HB2 . 11159 1 363 . 1 1 37 37 SER HB3 H 1 3.518 0.030 . 1 . . . . 37 SER HB3 . 11159 1 364 . 1 1 37 37 SER C C 13 172.319 0.300 . 1 . . . . 37 SER C . 11159 1 365 . 1 1 37 37 SER CA C 13 57.452 0.300 . 1 . . . . 37 SER CA . 11159 1 366 . 1 1 37 37 SER CB C 13 66.053 0.300 . 1 . . . . 37 SER CB . 11159 1 367 . 1 1 37 37 SER N N 15 112.851 0.300 . 1 . . . . 37 SER N . 11159 1 368 . 1 1 38 38 TYR H H 1 8.604 0.030 . 1 . . . . 38 TYR H . 11159 1 369 . 1 1 38 38 TYR HA H 1 5.304 0.030 . 1 . . . . 38 TYR HA . 11159 1 370 . 1 1 38 38 TYR HB2 H 1 2.307 0.030 . 2 . . . . 38 TYR HB2 . 11159 1 371 . 1 1 38 38 TYR HB3 H 1 3.277 0.030 . 2 . . . . 38 TYR HB3 . 11159 1 372 . 1 1 38 38 TYR HD1 H 1 6.874 0.030 . 1 . . . . 38 TYR HD1 . 11159 1 373 . 1 1 38 38 TYR HD2 H 1 6.874 0.030 . 1 . . . . 38 TYR HD2 . 11159 1 374 . 1 1 38 38 TYR HE1 H 1 6.496 0.030 . 1 . . . . 38 TYR HE1 . 11159 1 375 . 1 1 38 38 TYR HE2 H 1 6.496 0.030 . 1 . . . . 38 TYR HE2 . 11159 1 376 . 1 1 38 38 TYR C C 13 175.480 0.300 . 1 . . . . 38 TYR C . 11159 1 377 . 1 1 38 38 TYR CA C 13 55.297 0.300 . 1 . . . . 38 TYR CA . 11159 1 378 . 1 1 38 38 TYR CB C 13 44.566 0.300 . 1 . . . . 38 TYR CB . 11159 1 379 . 1 1 38 38 TYR CD1 C 13 133.473 0.300 . 1 . . . . 38 TYR CD1 . 11159 1 380 . 1 1 38 38 TYR CD2 C 13 133.473 0.300 . 1 . . . . 38 TYR CD2 . 11159 1 381 . 1 1 38 38 TYR CE1 C 13 117.436 0.300 . 1 . . . . 38 TYR CE1 . 11159 1 382 . 1 1 38 38 TYR CE2 C 13 117.436 0.300 . 1 . . . . 38 TYR CE2 . 11159 1 383 . 1 1 38 38 TYR N N 15 118.805 0.300 . 1 . . . . 38 TYR N . 11159 1 384 . 1 1 39 39 CYS H H 1 8.944 0.030 . 1 . . . . 39 CYS H . 11159 1 385 . 1 1 39 39 CYS HA H 1 4.247 0.030 . 1 . . . . 39 CYS HA . 11159 1 386 . 1 1 39 39 CYS HB2 H 1 3.418 0.030 . 2 . . . . 39 CYS HB2 . 11159 1 387 . 1 1 39 39 CYS HB3 H 1 3.560 0.030 . 2 . . . . 39 CYS HB3 . 11159 1 388 . 1 1 39 39 CYS C C 13 178.518 0.300 . 1 . . . . 39 CYS C . 11159 1 389 . 1 1 39 39 CYS CA C 13 60.374 0.300 . 1 . . . . 39 CYS CA . 11159 1 390 . 1 1 39 39 CYS CB C 13 31.530 0.300 . 1 . . . . 39 CYS CB . 11159 1 391 . 1 1 39 39 CYS N N 15 122.920 0.300 . 1 . . . . 39 CYS N . 11159 1 392 . 1 1 40 40 ASP H H 1 8.170 0.030 . 1 . . . . 40 ASP H . 11159 1 393 . 1 1 40 40 ASP HA H 1 4.265 0.030 . 1 . . . . 40 ASP HA . 11159 1 394 . 1 1 40 40 ASP HB2 H 1 3.190 0.030 . 2 . . . . 40 ASP HB2 . 11159 1 395 . 1 1 40 40 ASP HB3 H 1 2.687 0.030 . 2 . . . . 40 ASP HB3 . 11159 1 396 . 1 1 40 40 ASP C C 13 177.571 0.300 . 1 . . . . 40 ASP C . 11159 1 397 . 1 1 40 40 ASP CA C 13 58.902 0.300 . 1 . . . . 40 ASP CA . 11159 1 398 . 1 1 40 40 ASP CB C 13 42.497 0.300 . 1 . . . . 40 ASP CB . 11159 1 399 . 1 1 40 40 ASP N N 15 124.410 0.300 . 1 . . . . 40 ASP N . 11159 1 400 . 1 1 41 41 GLU H H 1 8.862 0.030 . 1 . . . . 41 GLU H . 11159 1 401 . 1 1 41 41 GLU HA H 1 3.998 0.030 . 1 . . . . 41 GLU HA . 11159 1 402 . 1 1 41 41 GLU HB2 H 1 2.074 0.030 . 2 . . . . 41 GLU HB2 . 11159 1 403 . 1 1 41 41 GLU HB3 H 1 2.114 0.030 . 2 . . . . 41 GLU HB3 . 11159 1 404 . 1 1 41 41 GLU HG2 H 1 2.322 0.030 . 1 . . . . 41 GLU HG2 . 11159 1 405 . 1 1 41 41 GLU HG3 H 1 2.322 0.030 . 1 . . . . 41 GLU HG3 . 11159 1 406 . 1 1 41 41 GLU C C 13 179.660 0.300 . 1 . . . . 41 GLU C . 11159 1 407 . 1 1 41 41 GLU CA C 13 59.635 0.300 . 1 . . . . 41 GLU CA . 11159 1 408 . 1 1 41 41 GLU CB C 13 29.943 0.300 . 1 . . . . 41 GLU CB . 11159 1 409 . 1 1 41 41 GLU CG C 13 36.314 0.300 . 1 . . . . 41 GLU CG . 11159 1 410 . 1 1 41 41 GLU N N 15 113.983 0.300 . 1 . . . . 41 GLU N . 11159 1 411 . 1 1 42 42 CYS H H 1 7.139 0.030 . 1 . . . . 42 CYS H . 11159 1 412 . 1 1 42 42 CYS HA H 1 3.994 0.030 . 1 . . . . 42 CYS HA . 11159 1 413 . 1 1 42 42 CYS HB2 H 1 3.095 0.030 . 2 . . . . 42 CYS HB2 . 11159 1 414 . 1 1 42 42 CYS HB3 H 1 2.907 0.030 . 2 . . . . 42 CYS HB3 . 11159 1 415 . 1 1 42 42 CYS C C 13 178.202 0.300 . 1 . . . . 42 CYS C . 11159 1 416 . 1 1 42 42 CYS CA C 13 64.173 0.300 . 1 . . . . 42 CYS CA . 11159 1 417 . 1 1 42 42 CYS CB C 13 29.603 0.300 . 1 . . . . 42 CYS CB . 11159 1 418 . 1 1 43 43 ILE H H 1 7.923 0.030 . 1 . . . . 43 ILE H . 11159 1 419 . 1 1 43 43 ILE HA H 1 4.034 0.030 . 1 . . . . 43 ILE HA . 11159 1 420 . 1 1 43 43 ILE HB H 1 1.199 0.030 . 1 . . . . 43 ILE HB . 11159 1 421 . 1 1 43 43 ILE HD11 H 1 0.172 0.030 . 1 . . . . 43 ILE HD1 . 11159 1 422 . 1 1 43 43 ILE HD12 H 1 0.172 0.030 . 1 . . . . 43 ILE HD1 . 11159 1 423 . 1 1 43 43 ILE HD13 H 1 0.172 0.030 . 1 . . . . 43 ILE HD1 . 11159 1 424 . 1 1 43 43 ILE HG12 H 1 0.947 0.030 . 2 . . . . 43 ILE HG12 . 11159 1 425 . 1 1 43 43 ILE HG13 H 1 0.872 0.030 . 2 . . . . 43 ILE HG13 . 11159 1 426 . 1 1 43 43 ILE HG21 H 1 1.005 0.030 . 1 . . . . 43 ILE HG2 . 11159 1 427 . 1 1 43 43 ILE HG22 H 1 1.005 0.030 . 1 . . . . 43 ILE HG2 . 11159 1 428 . 1 1 43 43 ILE HG23 H 1 1.005 0.030 . 1 . . . . 43 ILE HG2 . 11159 1 429 . 1 1 43 43 ILE C C 13 175.604 0.300 . 1 . . . . 43 ILE C . 11159 1 430 . 1 1 43 43 ILE CA C 13 59.110 0.300 . 1 . . . . 43 ILE CA . 11159 1 431 . 1 1 43 43 ILE CB C 13 37.441 0.300 . 1 . . . . 43 ILE CB . 11159 1 432 . 1 1 43 43 ILE CD1 C 13 13.562 0.300 . 1 . . . . 43 ILE CD1 . 11159 1 433 . 1 1 43 43 ILE CG1 C 13 30.306 0.300 . 1 . . . . 43 ILE CG1 . 11159 1 434 . 1 1 43 43 ILE CG2 C 13 20.393 0.300 . 1 . . . . 43 ILE CG2 . 11159 1 435 . 1 1 43 43 ILE N N 15 117.627 0.300 . 1 . . . . 43 ILE N . 11159 1 436 . 1 1 44 44 ARG H H 1 8.465 0.030 . 1 . . . . 44 ARG H . 11159 1 437 . 1 1 44 44 ARG HA H 1 3.708 0.030 . 1 . . . . 44 ARG HA . 11159 1 438 . 1 1 44 44 ARG HB2 H 1 1.852 0.030 . 2 . . . . 44 ARG HB2 . 11159 1 439 . 1 1 44 44 ARG HB3 H 1 1.721 0.030 . 2 . . . . 44 ARG HB3 . 11159 1 440 . 1 1 44 44 ARG HD2 H 1 2.985 0.030 . 2 . . . . 44 ARG HD2 . 11159 1 441 . 1 1 44 44 ARG HD3 H 1 3.238 0.030 . 2 . . . . 44 ARG HD3 . 11159 1 442 . 1 1 44 44 ARG HG2 H 1 1.430 0.030 . 2 . . . . 44 ARG HG2 . 11159 1 443 . 1 1 44 44 ARG HG3 H 1 1.648 0.030 . 2 . . . . 44 ARG HG3 . 11159 1 444 . 1 1 44 44 ARG C C 13 178.520 0.300 . 1 . . . . 44 ARG C . 11159 1 445 . 1 1 44 44 ARG CA C 13 61.289 0.300 . 1 . . . . 44 ARG CA . 11159 1 446 . 1 1 44 44 ARG CB C 13 30.275 0.300 . 1 . . . . 44 ARG CB . 11159 1 447 . 1 1 44 44 ARG CD C 13 42.805 0.300 . 1 . . . . 44 ARG CD . 11159 1 448 . 1 1 44 44 ARG CG C 13 29.213 0.300 . 1 . . . . 44 ARG CG . 11159 1 449 . 1 1 44 44 ARG N N 15 124.894 0.300 . 1 . . . . 44 ARG N . 11159 1 450 . 1 1 45 45 THR H H 1 7.625 0.030 . 1 . . . . 45 THR H . 11159 1 451 . 1 1 45 45 THR HA H 1 3.840 0.030 . 1 . . . . 45 THR HA . 11159 1 452 . 1 1 45 45 THR HB H 1 4.257 0.030 . 1 . . . . 45 THR HB . 11159 1 453 . 1 1 45 45 THR HG21 H 1 1.221 0.030 . 1 . . . . 45 THR HG2 . 11159 1 454 . 1 1 45 45 THR HG22 H 1 1.221 0.030 . 1 . . . . 45 THR HG2 . 11159 1 455 . 1 1 45 45 THR HG23 H 1 1.221 0.030 . 1 . . . . 45 THR HG2 . 11159 1 456 . 1 1 45 45 THR C C 13 175.858 0.300 . 1 . . . . 45 THR C . 11159 1 457 . 1 1 45 45 THR CA C 13 66.585 0.300 . 1 . . . . 45 THR CA . 11159 1 458 . 1 1 45 45 THR CB C 13 68.814 0.300 . 1 . . . . 45 THR CB . 11159 1 459 . 1 1 45 45 THR CG2 C 13 21.555 0.300 . 1 . . . . 45 THR CG2 . 11159 1 460 . 1 1 45 45 THR N N 15 112.261 0.300 . 1 . . . . 45 THR N . 11159 1 461 . 1 1 46 46 ALA H H 1 7.464 0.030 . 1 . . . . 46 ALA H . 11159 1 462 . 1 1 46 46 ALA HA H 1 4.147 0.030 . 1 . . . . 46 ALA HA . 11159 1 463 . 1 1 46 46 ALA HB1 H 1 1.410 0.030 . 1 . . . . 46 ALA HB . 11159 1 464 . 1 1 46 46 ALA HB2 H 1 1.410 0.030 . 1 . . . . 46 ALA HB . 11159 1 465 . 1 1 46 46 ALA HB3 H 1 1.410 0.030 . 1 . . . . 46 ALA HB . 11159 1 466 . 1 1 46 46 ALA C C 13 181.078 0.300 . 1 . . . . 46 ALA C . 11159 1 467 . 1 1 46 46 ALA CA C 13 55.099 0.300 . 1 . . . . 46 ALA CA . 11159 1 468 . 1 1 46 46 ALA CB C 13 18.252 0.300 . 1 . . . . 46 ALA CB . 11159 1 469 . 1 1 46 46 ALA N N 15 122.580 0.300 . 1 . . . . 46 ALA N . 11159 1 470 . 1 1 47 47 LEU H H 1 8.379 0.030 . 1 . . . . 47 LEU H . 11159 1 471 . 1 1 47 47 LEU HA H 1 4.014 0.030 . 1 . . . . 47 LEU HA . 11159 1 472 . 1 1 47 47 LEU HB2 H 1 1.824 0.030 . 2 . . . . 47 LEU HB2 . 11159 1 473 . 1 1 47 47 LEU HB3 H 1 1.134 0.030 . 2 . . . . 47 LEU HB3 . 11159 1 474 . 1 1 47 47 LEU HD11 H 1 0.636 0.030 . 1 . . . . 47 LEU HD1 . 11159 1 475 . 1 1 47 47 LEU HD12 H 1 0.636 0.030 . 1 . . . . 47 LEU HD1 . 11159 1 476 . 1 1 47 47 LEU HD13 H 1 0.636 0.030 . 1 . . . . 47 LEU HD1 . 11159 1 477 . 1 1 47 47 LEU HD21 H 1 0.650 0.030 . 1 . . . . 47 LEU HD2 . 11159 1 478 . 1 1 47 47 LEU HD22 H 1 0.650 0.030 . 1 . . . . 47 LEU HD2 . 11159 1 479 . 1 1 47 47 LEU HD23 H 1 0.650 0.030 . 1 . . . . 47 LEU HD2 . 11159 1 480 . 1 1 47 47 LEU HG H 1 1.740 0.030 . 1 . . . . 47 LEU HG . 11159 1 481 . 1 1 47 47 LEU C C 13 179.359 0.300 . 1 . . . . 47 LEU C . 11159 1 482 . 1 1 47 47 LEU CA C 13 57.679 0.300 . 1 . . . . 47 LEU CA . 11159 1 483 . 1 1 47 47 LEU CB C 13 42.511 0.300 . 1 . . . . 47 LEU CB . 11159 1 484 . 1 1 47 47 LEU CD1 C 13 25.484 0.300 . 2 . . . . 47 LEU CD1 . 11159 1 485 . 1 1 47 47 LEU CD2 C 13 21.351 0.300 . 2 . . . . 47 LEU CD2 . 11159 1 486 . 1 1 47 47 LEU CG C 13 26.450 0.300 . 1 . . . . 47 LEU CG . 11159 1 487 . 1 1 47 47 LEU N N 15 116.966 0.300 . 1 . . . . 47 LEU N . 11159 1 488 . 1 1 48 48 LEU H H 1 7.877 0.030 . 1 . . . . 48 LEU H . 11159 1 489 . 1 1 48 48 LEU HA H 1 4.224 0.030 . 1 . . . . 48 LEU HA . 11159 1 490 . 1 1 48 48 LEU HB2 H 1 1.636 0.030 . 2 . . . . 48 LEU HB2 . 11159 1 491 . 1 1 48 48 LEU HB3 H 1 1.895 0.030 . 2 . . . . 48 LEU HB3 . 11159 1 492 . 1 1 48 48 LEU HD11 H 1 0.866 0.030 . 1 . . . . 48 LEU HD1 . 11159 1 493 . 1 1 48 48 LEU HD12 H 1 0.866 0.030 . 1 . . . . 48 LEU HD1 . 11159 1 494 . 1 1 48 48 LEU HD13 H 1 0.866 0.030 . 1 . . . . 48 LEU HD1 . 11159 1 495 . 1 1 48 48 LEU HD21 H 1 0.853 0.030 . 1 . . . . 48 LEU HD2 . 11159 1 496 . 1 1 48 48 LEU HD22 H 1 0.853 0.030 . 1 . . . . 48 LEU HD2 . 11159 1 497 . 1 1 48 48 LEU HD23 H 1 0.853 0.030 . 1 . . . . 48 LEU HD2 . 11159 1 498 . 1 1 48 48 LEU HG H 1 1.767 0.030 . 1 . . . . 48 LEU HG . 11159 1 499 . 1 1 48 48 LEU C C 13 178.877 0.300 . 1 . . . . 48 LEU C . 11159 1 500 . 1 1 48 48 LEU CA C 13 56.666 0.300 . 1 . . . . 48 LEU CA . 11159 1 501 . 1 1 48 48 LEU CB C 13 41.968 0.300 . 1 . . . . 48 LEU CB . 11159 1 502 . 1 1 48 48 LEU CD1 C 13 25.120 0.300 . 2 . . . . 48 LEU CD1 . 11159 1 503 . 1 1 48 48 LEU CD2 C 13 23.145 0.300 . 2 . . . . 48 LEU CD2 . 11159 1 504 . 1 1 48 48 LEU CG C 13 27.019 0.300 . 1 . . . . 48 LEU CG . 11159 1 505 . 1 1 48 48 LEU N N 15 117.613 0.300 . 1 . . . . 48 LEU N . 11159 1 506 . 1 1 49 49 GLU H H 1 7.833 0.030 . 1 . . . . 49 GLU H . 11159 1 507 . 1 1 49 49 GLU HA H 1 4.176 0.030 . 1 . . . . 49 GLU HA . 11159 1 508 . 1 1 49 49 GLU HB2 H 1 2.129 0.030 . 2 . . . . 49 GLU HB2 . 11159 1 509 . 1 1 49 49 GLU HB3 H 1 2.076 0.030 . 2 . . . . 49 GLU HB3 . 11159 1 510 . 1 1 49 49 GLU HG2 H 1 2.324 0.030 . 2 . . . . 49 GLU HG2 . 11159 1 511 . 1 1 49 49 GLU HG3 H 1 2.530 0.030 . 2 . . . . 49 GLU HG3 . 11159 1 512 . 1 1 49 49 GLU C C 13 176.293 0.300 . 1 . . . . 49 GLU C . 11159 1 513 . 1 1 49 49 GLU CA C 13 57.660 0.300 . 1 . . . . 49 GLU CA . 11159 1 514 . 1 1 49 49 GLU CB C 13 29.851 0.300 . 1 . . . . 49 GLU CB . 11159 1 515 . 1 1 49 49 GLU CG C 13 36.689 0.300 . 1 . . . . 49 GLU CG . 11159 1 516 . 1 1 49 49 GLU N N 15 117.878 0.300 . 1 . . . . 49 GLU N . 11159 1 517 . 1 1 50 50 SER H H 1 7.434 0.030 . 1 . . . . 50 SER H . 11159 1 518 . 1 1 50 50 SER HA H 1 4.686 0.030 . 1 . . . . 50 SER HA . 11159 1 519 . 1 1 50 50 SER HB2 H 1 4.128 0.030 . 2 . . . . 50 SER HB2 . 11159 1 520 . 1 1 50 50 SER HB3 H 1 4.015 0.030 . 2 . . . . 50 SER HB3 . 11159 1 521 . 1 1 50 50 SER C C 13 175.312 0.300 . 1 . . . . 50 SER C . 11159 1 522 . 1 1 50 50 SER CA C 13 56.641 0.300 . 1 . . . . 50 SER CA . 11159 1 523 . 1 1 50 50 SER CB C 13 64.919 0.300 . 1 . . . . 50 SER CB . 11159 1 524 . 1 1 50 50 SER N N 15 112.756 0.300 . 1 . . . . 50 SER N . 11159 1 525 . 1 1 51 51 ASP H H 1 8.839 0.030 . 1 . . . . 51 ASP H . 11159 1 526 . 1 1 51 51 ASP HA H 1 4.303 0.030 . 1 . . . . 51 ASP HA . 11159 1 527 . 1 1 51 51 ASP HB2 H 1 2.665 0.030 . 2 . . . . 51 ASP HB2 . 11159 1 528 . 1 1 51 51 ASP HB3 H 1 2.605 0.030 . 2 . . . . 51 ASP HB3 . 11159 1 529 . 1 1 51 51 ASP C C 13 176.822 0.300 . 1 . . . . 51 ASP C . 11159 1 530 . 1 1 51 51 ASP CA C 13 56.606 0.300 . 1 . . . . 51 ASP CA . 11159 1 531 . 1 1 51 51 ASP CB C 13 40.566 0.300 . 1 . . . . 51 ASP CB . 11159 1 532 . 1 1 51 51 ASP N N 15 125.127 0.300 . 1 . . . . 51 ASP N . 11159 1 533 . 1 1 52 52 GLU H H 1 7.951 0.030 . 1 . . . . 52 GLU H . 11159 1 534 . 1 1 52 52 GLU HA H 1 4.196 0.030 . 1 . . . . 52 GLU HA . 11159 1 535 . 1 1 52 52 GLU HB2 H 1 2.116 0.030 . 2 . . . . 52 GLU HB2 . 11159 1 536 . 1 1 52 52 GLU HB3 H 1 1.736 0.030 . 2 . . . . 52 GLU HB3 . 11159 1 537 . 1 1 52 52 GLU HG2 H 1 2.138 0.030 . 1 . . . . 52 GLU HG2 . 11159 1 538 . 1 1 52 52 GLU HG3 H 1 2.138 0.030 . 1 . . . . 52 GLU HG3 . 11159 1 539 . 1 1 52 52 GLU C C 13 175.274 0.300 . 1 . . . . 52 GLU C . 11159 1 540 . 1 1 52 52 GLU CA C 13 56.355 0.300 . 1 . . . . 52 GLU CA . 11159 1 541 . 1 1 52 52 GLU CB C 13 29.657 0.300 . 1 . . . . 52 GLU CB . 11159 1 542 . 1 1 52 52 GLU CG C 13 36.828 0.300 . 1 . . . . 52 GLU CG . 11159 1 543 . 1 1 52 52 GLU N N 15 116.159 0.300 . 1 . . . . 52 GLU N . 11159 1 544 . 1 1 53 53 HIS H H 1 7.886 0.030 . 1 . . . . 53 HIS H . 11159 1 545 . 1 1 53 53 HIS HA H 1 4.647 0.030 . 1 . . . . 53 HIS HA . 11159 1 546 . 1 1 53 53 HIS HB2 H 1 3.249 0.030 . 2 . . . . 53 HIS HB2 . 11159 1 547 . 1 1 53 53 HIS HB3 H 1 3.623 0.030 . 2 . . . . 53 HIS HB3 . 11159 1 548 . 1 1 53 53 HIS HD2 H 1 7.583 0.030 . 1 . . . . 53 HIS HD2 . 11159 1 549 . 1 1 53 53 HIS HE1 H 1 8.547 0.030 . 1 . . . . 53 HIS HE1 . 11159 1 550 . 1 1 53 53 HIS C C 13 172.336 0.300 . 1 . . . . 53 HIS C . 11159 1 551 . 1 1 53 53 HIS CA C 13 55.107 0.300 . 1 . . . . 53 HIS CA . 11159 1 552 . 1 1 53 53 HIS CB C 13 26.875 0.300 . 1 . . . . 53 HIS CB . 11159 1 553 . 1 1 53 53 HIS CD2 C 13 119.450 0.300 . 1 . . . . 53 HIS CD2 . 11159 1 554 . 1 1 53 53 HIS CE1 C 13 136.290 0.300 . 1 . . . . 53 HIS CE1 . 11159 1 555 . 1 1 53 53 HIS N N 15 115.923 0.300 . 1 . . . . 53 HIS N . 11159 1 556 . 1 1 54 54 THR H H 1 7.951 0.030 . 1 . . . . 54 THR H . 11159 1 557 . 1 1 54 54 THR HA H 1 4.733 0.030 . 1 . . . . 54 THR HA . 11159 1 558 . 1 1 54 54 THR HB H 1 3.666 0.030 . 1 . . . . 54 THR HB . 11159 1 559 . 1 1 54 54 THR HG21 H 1 1.046 0.030 . 1 . . . . 54 THR HG2 . 11159 1 560 . 1 1 54 54 THR HG22 H 1 1.046 0.030 . 1 . . . . 54 THR HG2 . 11159 1 561 . 1 1 54 54 THR HG23 H 1 1.046 0.030 . 1 . . . . 54 THR HG2 . 11159 1 562 . 1 1 54 54 THR C C 13 174.098 0.300 . 1 . . . . 54 THR C . 11159 1 563 . 1 1 54 54 THR CA C 13 61.770 0.300 . 1 . . . . 54 THR CA . 11159 1 564 . 1 1 54 54 THR CB C 13 70.517 0.300 . 1 . . . . 54 THR CB . 11159 1 565 . 1 1 54 54 THR CG2 C 13 21.547 0.300 . 1 . . . . 54 THR CG2 . 11159 1 566 . 1 1 54 54 THR N N 15 115.000 0.300 . 1 . . . . 54 THR N . 11159 1 567 . 1 1 55 55 CYS H H 1 8.816 0.030 . 1 . . . . 55 CYS H . 11159 1 568 . 1 1 55 55 CYS HA H 1 4.258 0.030 . 1 . . . . 55 CYS HA . 11159 1 569 . 1 1 55 55 CYS HB2 H 1 3.348 0.030 . 2 . . . . 55 CYS HB2 . 11159 1 570 . 1 1 55 55 CYS HB3 H 1 3.005 0.030 . 2 . . . . 55 CYS HB3 . 11159 1 571 . 1 1 55 55 CYS C C 13 176.260 0.300 . 1 . . . . 55 CYS C . 11159 1 572 . 1 1 55 55 CYS CA C 13 57.107 0.300 . 1 . . . . 55 CYS CA . 11159 1 573 . 1 1 55 55 CYS CB C 13 32.406 0.300 . 1 . . . . 55 CYS CB . 11159 1 574 . 1 1 55 55 CYS N N 15 130.341 0.300 . 1 . . . . 55 CYS N . 11159 1 575 . 1 1 56 56 PRO HA H 1 4.406 0.030 . 1 . . . . 56 PRO HA . 11159 1 576 . 1 1 56 56 PRO HB2 H 1 2.234 0.030 . 2 . . . . 56 PRO HB2 . 11159 1 577 . 1 1 56 56 PRO HB3 H 1 1.945 0.030 . 2 . . . . 56 PRO HB3 . 11159 1 578 . 1 1 56 56 PRO HD2 H 1 3.444 0.030 . 2 . . . . 56 PRO HD2 . 11159 1 579 . 1 1 56 56 PRO HD3 H 1 4.016 0.030 . 2 . . . . 56 PRO HD3 . 11159 1 580 . 1 1 56 56 PRO HG2 H 1 1.744 0.030 . 2 . . . . 56 PRO HG2 . 11159 1 581 . 1 1 56 56 PRO HG3 H 1 1.605 0.030 . 2 . . . . 56 PRO HG3 . 11159 1 582 . 1 1 56 56 PRO C C 13 176.284 0.300 . 1 . . . . 56 PRO C . 11159 1 583 . 1 1 56 56 PRO CA C 13 63.831 0.300 . 1 . . . . 56 PRO CA . 11159 1 584 . 1 1 56 56 PRO CB C 13 32.016 0.300 . 1 . . . . 56 PRO CB . 11159 1 585 . 1 1 56 56 PRO CD C 13 50.695 0.300 . 1 . . . . 56 PRO CD . 11159 1 586 . 1 1 56 56 PRO CG C 13 26.489 0.300 . 1 . . . . 56 PRO CG . 11159 1 587 . 1 1 57 57 THR H H 1 9.343 0.030 . 1 . . . . 57 THR H . 11159 1 588 . 1 1 57 57 THR HA H 1 4.262 0.030 . 1 . . . . 57 THR HA . 11159 1 589 . 1 1 57 57 THR HB H 1 4.041 0.030 . 1 . . . . 57 THR HB . 11159 1 590 . 1 1 57 57 THR HG21 H 1 1.171 0.030 . 1 . . . . 57 THR HG2 . 11159 1 591 . 1 1 57 57 THR HG22 H 1 1.171 0.030 . 1 . . . . 57 THR HG2 . 11159 1 592 . 1 1 57 57 THR HG23 H 1 1.171 0.030 . 1 . . . . 57 THR HG2 . 11159 1 593 . 1 1 57 57 THR C C 13 174.754 0.300 . 1 . . . . 57 THR C . 11159 1 594 . 1 1 57 57 THR CA C 13 65.130 0.300 . 1 . . . . 57 THR CA . 11159 1 595 . 1 1 57 57 THR CB C 13 68.977 0.300 . 1 . . . . 57 THR CB . 11159 1 596 . 1 1 57 57 THR CG2 C 13 22.554 0.300 . 1 . . . . 57 THR CG2 . 11159 1 597 . 1 1 57 57 THR N N 15 120.648 0.300 . 1 . . . . 57 THR N . 11159 1 598 . 1 1 58 58 CYS H H 1 9.282 0.030 . 1 . . . . 58 CYS H . 11159 1 599 . 1 1 58 58 CYS HA H 1 4.698 0.030 . 1 . . . . 58 CYS HA . 11159 1 600 . 1 1 58 58 CYS HB2 H 1 3.145 0.030 . 2 . . . . 58 CYS HB2 . 11159 1 601 . 1 1 58 58 CYS HB3 H 1 2.411 0.030 . 2 . . . . 58 CYS HB3 . 11159 1 602 . 1 1 58 58 CYS C C 13 176.988 0.300 . 1 . . . . 58 CYS C . 11159 1 603 . 1 1 58 58 CYS CA C 13 59.113 0.300 . 1 . . . . 58 CYS CA . 11159 1 604 . 1 1 58 58 CYS CB C 13 31.005 0.300 . 1 . . . . 58 CYS CB . 11159 1 605 . 1 1 58 58 CYS N N 15 123.993 0.300 . 1 . . . . 58 CYS N . 11159 1 606 . 1 1 59 59 HIS H H 1 7.317 0.030 . 1 . . . . 59 HIS H . 11159 1 607 . 1 1 59 59 HIS HA H 1 4.521 0.030 . 1 . . . . 59 HIS HA . 11159 1 608 . 1 1 59 59 HIS HB2 H 1 3.472 0.030 . 2 . . . . 59 HIS HB2 . 11159 1 609 . 1 1 59 59 HIS HB3 H 1 3.330 0.030 . 2 . . . . 59 HIS HB3 . 11159 1 610 . 1 1 59 59 HIS HD2 H 1 7.087 0.030 . 1 . . . . 59 HIS HD2 . 11159 1 611 . 1 1 59 59 HIS HE1 H 1 8.328 0.030 . 1 . . . . 59 HIS HE1 . 11159 1 612 . 1 1 59 59 HIS C C 13 173.540 0.300 . 1 . . . . 59 HIS C . 11159 1 613 . 1 1 59 59 HIS CA C 13 56.780 0.300 . 1 . . . . 59 HIS CA . 11159 1 614 . 1 1 59 59 HIS CB C 13 26.388 0.300 . 1 . . . . 59 HIS CB . 11159 1 615 . 1 1 59 59 HIS CD2 C 13 119.709 0.300 . 1 . . . . 59 HIS CD2 . 11159 1 616 . 1 1 59 59 HIS CE1 C 13 136.464 0.300 . 1 . . . . 59 HIS CE1 . 11159 1 617 . 1 1 59 59 HIS N N 15 115.079 0.300 . 1 . . . . 59 HIS N . 11159 1 618 . 1 1 60 60 GLN H H 1 8.495 0.030 . 1 . . . . 60 GLN H . 11159 1 619 . 1 1 60 60 GLN HA H 1 4.182 0.030 . 1 . . . . 60 GLN HA . 11159 1 620 . 1 1 60 60 GLN HB2 H 1 2.244 0.030 . 2 . . . . 60 GLN HB2 . 11159 1 621 . 1 1 60 60 GLN HB3 H 1 1.881 0.030 . 2 . . . . 60 GLN HB3 . 11159 1 622 . 1 1 60 60 GLN HE21 H 1 7.841 0.030 . 2 . . . . 60 GLN HE21 . 11159 1 623 . 1 1 60 60 GLN HE22 H 1 6.895 0.030 . 2 . . . . 60 GLN HE22 . 11159 1 624 . 1 1 60 60 GLN HG2 H 1 2.431 0.030 . 2 . . . . 60 GLN HG2 . 11159 1 625 . 1 1 60 60 GLN HG3 H 1 2.509 0.030 . 2 . . . . 60 GLN HG3 . 11159 1 626 . 1 1 60 60 GLN C C 13 174.754 0.300 . 1 . . . . 60 GLN C . 11159 1 627 . 1 1 60 60 GLN CA C 13 57.570 0.300 . 1 . . . . 60 GLN CA . 11159 1 628 . 1 1 60 60 GLN CB C 13 29.676 0.300 . 1 . . . . 60 GLN CB . 11159 1 629 . 1 1 60 60 GLN CG C 13 34.258 0.300 . 1 . . . . 60 GLN CG . 11159 1 630 . 1 1 60 60 GLN N N 15 123.128 0.300 . 1 . . . . 60 GLN N . 11159 1 631 . 1 1 60 60 GLN NE2 N 15 114.187 0.300 . 1 . . . . 60 GLN NE2 . 11159 1 632 . 1 1 61 61 ASN H H 1 8.326 0.030 . 1 . . . . 61 ASN H . 11159 1 633 . 1 1 61 61 ASN HA H 1 4.874 0.030 . 1 . . . . 61 ASN HA . 11159 1 634 . 1 1 61 61 ASN HB2 H 1 2.858 0.030 . 2 . . . . 61 ASN HB2 . 11159 1 635 . 1 1 61 61 ASN HB3 H 1 2.756 0.030 . 2 . . . . 61 ASN HB3 . 11159 1 636 . 1 1 61 61 ASN HD21 H 1 7.560 0.030 . 2 . . . . 61 ASN HD21 . 11159 1 637 . 1 1 61 61 ASN HD22 H 1 6.821 0.030 . 2 . . . . 61 ASN HD22 . 11159 1 638 . 1 1 61 61 ASN C C 13 174.948 0.300 . 1 . . . . 61 ASN C . 11159 1 639 . 1 1 61 61 ASN CA C 13 52.766 0.300 . 1 . . . . 61 ASN CA . 11159 1 640 . 1 1 61 61 ASN CB C 13 40.275 0.300 . 1 . . . . 61 ASN CB . 11159 1 641 . 1 1 61 61 ASN N N 15 121.517 0.300 . 1 . . . . 61 ASN N . 11159 1 642 . 1 1 61 61 ASN ND2 N 15 112.524 0.300 . 1 . . . . 61 ASN ND2 . 11159 1 643 . 1 1 62 62 ASP H H 1 8.796 0.030 . 1 . . . . 62 ASP H . 11159 1 644 . 1 1 62 62 ASP HA H 1 4.314 0.030 . 1 . . . . 62 ASP HA . 11159 1 645 . 1 1 62 62 ASP HB2 H 1 2.997 0.030 . 2 . . . . 62 ASP HB2 . 11159 1 646 . 1 1 62 62 ASP HB3 H 1 2.602 0.030 . 2 . . . . 62 ASP HB3 . 11159 1 647 . 1 1 62 62 ASP C C 13 175.045 0.300 . 1 . . . . 62 ASP C . 11159 1 648 . 1 1 62 62 ASP CA C 13 55.297 0.300 . 1 . . . . 62 ASP CA . 11159 1 649 . 1 1 62 62 ASP CB C 13 39.632 0.300 . 1 . . . . 62 ASP CB . 11159 1 650 . 1 1 62 62 ASP N N 15 116.534 0.300 . 1 . . . . 62 ASP N . 11159 1 651 . 1 1 63 63 VAL H H 1 8.858 0.030 . 1 . . . . 63 VAL H . 11159 1 652 . 1 1 63 63 VAL HA H 1 3.903 0.030 . 1 . . . . 63 VAL HA . 11159 1 653 . 1 1 63 63 VAL HB H 1 2.080 0.030 . 1 . . . . 63 VAL HB . 11159 1 654 . 1 1 63 63 VAL HG11 H 1 0.954 0.030 . 1 . . . . 63 VAL HG1 . 11159 1 655 . 1 1 63 63 VAL HG12 H 1 0.954 0.030 . 1 . . . . 63 VAL HG1 . 11159 1 656 . 1 1 63 63 VAL HG13 H 1 0.954 0.030 . 1 . . . . 63 VAL HG1 . 11159 1 657 . 1 1 63 63 VAL HG21 H 1 0.845 0.030 . 1 . . . . 63 VAL HG2 . 11159 1 658 . 1 1 63 63 VAL HG22 H 1 0.845 0.030 . 1 . . . . 63 VAL HG2 . 11159 1 659 . 1 1 63 63 VAL HG23 H 1 0.845 0.030 . 1 . . . . 63 VAL HG2 . 11159 1 660 . 1 1 63 63 VAL C C 13 174.852 0.300 . 1 . . . . 63 VAL C . 11159 1 661 . 1 1 63 63 VAL CA C 13 62.886 0.300 . 1 . . . . 63 VAL CA . 11159 1 662 . 1 1 63 63 VAL CB C 13 31.464 0.300 . 1 . . . . 63 VAL CB . 11159 1 663 . 1 1 63 63 VAL CG1 C 13 20.579 0.300 . 2 . . . . 63 VAL CG1 . 11159 1 664 . 1 1 63 63 VAL CG2 C 13 21.084 0.300 . 2 . . . . 63 VAL CG2 . 11159 1 665 . 1 1 63 63 VAL N N 15 122.349 0.300 . 1 . . . . 63 VAL N . 11159 1 666 . 1 1 64 64 SER H H 1 8.116 0.030 . 1 . . . . 64 SER H . 11159 1 667 . 1 1 64 64 SER HA H 1 4.568 0.030 . 1 . . . . 64 SER HA . 11159 1 668 . 1 1 64 64 SER HB2 H 1 3.787 0.030 . 2 . . . . 64 SER HB2 . 11159 1 669 . 1 1 64 64 SER HB3 H 1 3.964 0.030 . 2 . . . . 64 SER HB3 . 11159 1 670 . 1 1 64 64 SER C C 13 175.070 0.300 . 1 . . . . 64 SER C . 11159 1 671 . 1 1 64 64 SER CA C 13 55.252 0.300 . 1 . . . . 64 SER CA . 11159 1 672 . 1 1 64 64 SER CB C 13 64.223 0.300 . 1 . . . . 64 SER CB . 11159 1 673 . 1 1 64 64 SER N N 15 119.186 0.300 . 1 . . . . 64 SER N . 11159 1 674 . 1 1 65 65 PRO HA H 1 4.163 0.030 . 1 . . . . 65 PRO HA . 11159 1 675 . 1 1 65 65 PRO HB2 H 1 2.126 0.030 . 2 . . . . 65 PRO HB2 . 11159 1 676 . 1 1 65 65 PRO HB3 H 1 2.014 0.030 . 2 . . . . 65 PRO HB3 . 11159 1 677 . 1 1 65 65 PRO HD2 H 1 3.600 0.030 . 2 . . . . 65 PRO HD2 . 11159 1 678 . 1 1 65 65 PRO HD3 H 1 3.724 0.030 . 2 . . . . 65 PRO HD3 . 11159 1 679 . 1 1 65 65 PRO HG2 H 1 1.712 0.030 . 2 . . . . 65 PRO HG2 . 11159 1 680 . 1 1 65 65 PRO HG3 H 1 1.969 0.030 . 2 . . . . 65 PRO HG3 . 11159 1 681 . 1 1 65 65 PRO C C 13 176.981 0.300 . 1 . . . . 65 PRO C . 11159 1 682 . 1 1 65 65 PRO CA C 13 64.058 0.300 . 1 . . . . 65 PRO CA . 11159 1 683 . 1 1 65 65 PRO CB C 13 31.829 0.300 . 1 . . . . 65 PRO CB . 11159 1 684 . 1 1 65 65 PRO CD C 13 50.142 0.300 . 1 . . . . 65 PRO CD . 11159 1 685 . 1 1 65 65 PRO CG C 13 27.296 0.300 . 1 . . . . 65 PRO CG . 11159 1 686 . 1 1 66 66 ASP H H 1 7.880 0.030 . 1 . . . . 66 ASP H . 11159 1 687 . 1 1 66 66 ASP HA H 1 4.517 0.030 . 1 . . . . 66 ASP HA . 11159 1 688 . 1 1 66 66 ASP HB2 H 1 2.726 0.030 . 2 . . . . 66 ASP HB2 . 11159 1 689 . 1 1 66 66 ASP HB3 H 1 2.504 0.030 . 2 . . . . 66 ASP HB3 . 11159 1 690 . 1 1 66 66 ASP C C 13 176.323 0.300 . 1 . . . . 66 ASP C . 11159 1 691 . 1 1 66 66 ASP CA C 13 55.365 0.300 . 1 . . . . 66 ASP CA . 11159 1 692 . 1 1 66 66 ASP CB C 13 40.636 0.300 . 1 . . . . 66 ASP CB . 11159 1 693 . 1 1 66 66 ASP N N 15 115.756 0.300 . 1 . . . . 66 ASP N . 11159 1 694 . 1 1 67 67 ALA H H 1 7.964 0.030 . 1 . . . . 67 ALA H . 11159 1 695 . 1 1 67 67 ALA HA H 1 4.400 0.030 . 1 . . . . 67 ALA HA . 11159 1 696 . 1 1 67 67 ALA HB1 H 1 1.491 0.030 . 1 . . . . 67 ALA HB . 11159 1 697 . 1 1 67 67 ALA HB2 H 1 1.491 0.030 . 1 . . . . 67 ALA HB . 11159 1 698 . 1 1 67 67 ALA HB3 H 1 1.491 0.030 . 1 . . . . 67 ALA HB . 11159 1 699 . 1 1 67 67 ALA C C 13 177.979 0.300 . 1 . . . . 67 ALA C . 11159 1 700 . 1 1 67 67 ALA CA C 13 52.088 0.300 . 1 . . . . 67 ALA CA . 11159 1 701 . 1 1 67 67 ALA CB C 13 19.344 0.300 . 1 . . . . 67 ALA CB . 11159 1 702 . 1 1 67 67 ALA N N 15 121.586 0.300 . 1 . . . . 67 ALA N . 11159 1 703 . 1 1 68 68 LEU H H 1 7.324 0.030 . 1 . . . . 68 LEU H . 11159 1 704 . 1 1 68 68 LEU HA H 1 4.336 0.030 . 1 . . . . 68 LEU HA . 11159 1 705 . 1 1 68 68 LEU HB2 H 1 1.884 0.030 . 2 . . . . 68 LEU HB2 . 11159 1 706 . 1 1 68 68 LEU HB3 H 1 1.329 0.030 . 2 . . . . 68 LEU HB3 . 11159 1 707 . 1 1 68 68 LEU HD11 H 1 0.909 0.030 . 1 . . . . 68 LEU HD1 . 11159 1 708 . 1 1 68 68 LEU HD12 H 1 0.909 0.030 . 1 . . . . 68 LEU HD1 . 11159 1 709 . 1 1 68 68 LEU HD13 H 1 0.909 0.030 . 1 . . . . 68 LEU HD1 . 11159 1 710 . 1 1 68 68 LEU HD21 H 1 0.832 0.030 . 1 . . . . 68 LEU HD2 . 11159 1 711 . 1 1 68 68 LEU HD22 H 1 0.832 0.030 . 1 . . . . 68 LEU HD2 . 11159 1 712 . 1 1 68 68 LEU HD23 H 1 0.832 0.030 . 1 . . . . 68 LEU HD2 . 11159 1 713 . 1 1 68 68 LEU HG H 1 1.767 0.030 . 1 . . . . 68 LEU HG . 11159 1 714 . 1 1 68 68 LEU C C 13 177.547 0.300 . 1 . . . . 68 LEU C . 11159 1 715 . 1 1 68 68 LEU CA C 13 55.515 0.300 . 1 . . . . 68 LEU CA . 11159 1 716 . 1 1 68 68 LEU CB C 13 41.870 0.300 . 1 . . . . 68 LEU CB . 11159 1 717 . 1 1 68 68 LEU CD1 C 13 25.975 0.300 . 2 . . . . 68 LEU CD1 . 11159 1 718 . 1 1 68 68 LEU CD2 C 13 23.174 0.300 . 2 . . . . 68 LEU CD2 . 11159 1 719 . 1 1 68 68 LEU CG C 13 27.118 0.300 . 1 . . . . 68 LEU CG . 11159 1 720 . 1 1 68 68 LEU N N 15 118.866 0.300 . 1 . . . . 68 LEU N . 11159 1 721 . 1 1 69 69 SER H H 1 8.156 0.030 . 1 . . . . 69 SER H . 11159 1 722 . 1 1 69 69 SER HA H 1 4.682 0.030 . 1 . . . . 69 SER HA . 11159 1 723 . 1 1 69 69 SER HB2 H 1 3.884 0.030 . 1 . . . . 69 SER HB2 . 11159 1 724 . 1 1 69 69 SER HB3 H 1 3.884 0.030 . 1 . . . . 69 SER HB3 . 11159 1 725 . 1 1 69 69 SER C C 13 174.584 0.300 . 1 . . . . 69 SER C . 11159 1 726 . 1 1 69 69 SER CA C 13 57.937 0.300 . 1 . . . . 69 SER CA . 11159 1 727 . 1 1 69 69 SER CB C 13 64.787 0.300 . 1 . . . . 69 SER CB . 11159 1 728 . 1 1 69 69 SER N N 15 116.144 0.300 . 1 . . . . 69 SER N . 11159 1 729 . 1 1 70 70 GLY H H 1 8.178 0.030 . 1 . . . . 70 GLY H . 11159 1 730 . 1 1 70 70 GLY HA2 H 1 4.787 0.030 . 1 . . . . 70 GLY HA2 . 11159 1 731 . 1 1 70 70 GLY HA3 H 1 4.787 0.030 . 1 . . . . 70 GLY HA3 . 11159 1 732 . 1 1 70 70 GLY C C 13 171.864 0.300 . 1 . . . . 70 GLY C . 11159 1 733 . 1 1 70 70 GLY CA C 13 50.414 0.300 . 1 . . . . 70 GLY CA . 11159 1 734 . 1 1 70 70 GLY N N 15 110.565 0.300 . 1 . . . . 70 GLY N . 11159 1 735 . 1 1 71 71 PRO HA H 1 4.474 0.030 . 1 . . . . 71 PRO HA . 11159 1 736 . 1 1 71 71 PRO HB2 H 1 1.971 0.030 . 2 . . . . 71 PRO HB2 . 11159 1 737 . 1 1 71 71 PRO HB3 H 1 2.255 0.030 . 2 . . . . 71 PRO HB3 . 11159 1 738 . 1 1 71 71 PRO HD2 H 1 3.670 0.030 . 1 . . . . 71 PRO HD2 . 11159 1 739 . 1 1 71 71 PRO HD3 H 1 3.670 0.030 . 1 . . . . 71 PRO HD3 . 11159 1 740 . 1 1 71 71 PRO HG2 H 1 2.005 0.030 . 1 . . . . 71 PRO HG2 . 11159 1 741 . 1 1 71 71 PRO HG3 H 1 2.005 0.030 . 1 . . . . 71 PRO HG3 . 11159 1 742 . 1 1 71 71 PRO C C 13 177.398 0.300 . 1 . . . . 71 PRO C . 11159 1 743 . 1 1 71 71 PRO CA C 13 63.274 0.300 . 1 . . . . 71 PRO CA . 11159 1 744 . 1 1 71 71 PRO CB C 13 32.159 0.300 . 1 . . . . 71 PRO CB . 11159 1 745 . 1 1 71 71 PRO CD C 13 49.965 0.300 . 1 . . . . 71 PRO CD . 11159 1 746 . 1 1 71 71 PRO CG C 13 27.379 0.300 . 1 . . . . 71 PRO CG . 11159 1 747 . 1 1 72 72 SER H H 1 8.573 0.030 . 1 . . . . 72 SER H . 11159 1 748 . 1 1 72 72 SER HA H 1 4.530 0.030 . 1 . . . . 72 SER HA . 11159 1 749 . 1 1 72 72 SER HB2 H 1 3.879 0.030 . 1 . . . . 72 SER HB2 . 11159 1 750 . 1 1 72 72 SER HB3 H 1 3.879 0.030 . 1 . . . . 72 SER HB3 . 11159 1 751 . 1 1 72 72 SER C C 13 174.847 0.300 . 1 . . . . 72 SER C . 11159 1 752 . 1 1 72 72 SER CA C 13 58.268 0.300 . 1 . . . . 72 SER CA . 11159 1 753 . 1 1 72 72 SER CB C 13 63.894 0.300 . 1 . . . . 72 SER CB . 11159 1 754 . 1 1 72 72 SER N N 15 116.359 0.300 . 1 . . . . 72 SER N . 11159 1 755 . 1 1 73 73 SER H H 1 8.561 0.030 . 1 . . . . 73 SER H . 11159 1 756 . 1 1 73 73 SER HA H 1 4.495 0.030 . 1 . . . . 73 SER HA . 11159 1 757 . 1 1 73 73 SER HB2 H 1 3.908 0.030 . 1 . . . . 73 SER HB2 . 11159 1 758 . 1 1 73 73 SER HB3 H 1 3.908 0.030 . 1 . . . . 73 SER HB3 . 11159 1 759 . 1 1 73 73 SER C C 13 175.070 0.300 . 1 . . . . 73 SER C . 11159 1 760 . 1 1 73 73 SER CA C 13 58.622 0.300 . 1 . . . . 73 SER CA . 11159 1 761 . 1 1 73 73 SER CB C 13 63.729 0.300 . 1 . . . . 73 SER CB . 11159 1 762 . 1 1 73 73 SER N N 15 118.067 0.300 . 1 . . . . 73 SER N . 11159 1 763 . 1 1 74 74 GLY H H 1 8.460 0.030 . 1 . . . . 74 GLY H . 11159 1 764 . 1 1 74 74 GLY HA2 H 1 5.623 0.030 . 1 . . . . 74 GLY HA2 . 11159 1 765 . 1 1 74 74 GLY HA3 H 1 5.623 0.030 . 1 . . . . 74 GLY HA3 . 11159 1 766 . 1 1 74 74 GLY C C 13 174.292 0.300 . 1 . . . . 74 GLY C . 11159 1 767 . 1 1 74 74 GLY CA C 13 45.432 0.300 . 1 . . . . 74 GLY CA . 11159 1 768 . 1 1 74 74 GLY N N 15 111.046 0.300 . 1 . . . . 74 GLY N . 11159 1 stop_ save_