data_25376 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25376 _Entry.Title ; The RING Domain of human Promyelocytic Leukemia Protein (PML) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-12-02 _Entry.Accession_date 2014-12-02 _Entry.Last_release_date 2015-08-19 _Entry.Original_release_date 2015-08-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Shu-Yu Huang . . . 25376 2 Chi-Fon Chang . . . 25376 3 Pei-Ju Fan . . . 25376 4 Peter Guntert . . . 25376 5 Hsiu-Ming Shih . . . 25376 6 Tai-Huang Huang . . . 25376 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25376 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'E3 ligase' . 25376 PML . 25376 'RING finger' . 25376 TRIM19 . 25376 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25376 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 173 25376 '15N chemical shifts' 57 25376 '1H chemical shifts' 369 25376 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2015-08-19 2014-12-02 update BMRB 'update entry citation' 25376 1 . . 2015-02-09 2014-12-02 original author 'original release' 25376 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MWX 'BMRB Entry Tracking System' 25376 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 25376 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25627356 _Citation.Full_citation . _Citation.Title ; The RING domain of human promyelocytic leukemia protein (PML) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 61 _Citation.Journal_issue 2 _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 173 _Citation.Page_last 180 _Citation.Year 2015 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Shu-Yu Huang . . . 25376 1 2 Chi-Fon Chang . . . 25376 1 3 Pei-Ju Fan . . . 25376 1 4 Peter Guntert . . . 25376 1 5 Hsiu-Ming Shih . . . 25376 1 6 Tai-Huang Huang . . . 25376 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25376 _Assembly.ID 1 _Assembly.Name 'RING Domain of human Promyelocytic Leukemia Protein (PML)' _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 entity_1 1 $entity_1 A . yes native no no . . . 25376 1 2 'ZINC ION_1' 2 $entity_ZN B . no native no no . . . 25376 1 3 'ZINC ION_2' 2 $entity_ZN C . no native no no . . . 25376 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 coordinate single . 1 entity_1 1 CYS 9 9 SG . 2 'ZINC ION_1' 2 ZN 1 1 ZN . . 57 CYS SG . . . ZN . 25376 1 2 coordinate single . 1 entity_1 1 CYS 12 12 SG . 2 'ZINC ION_1' 2 ZN 1 1 ZN . . 60 CYS SG . . . ZN . 25376 1 3 coordinate single . 1 entity_1 1 CYS 32 32 SG . 2 'ZINC ION_1' 2 ZN 1 1 ZN . . 80 CYS SG . . . ZN . 25376 1 4 coordinate single . 1 entity_1 1 CYS 29 29 SG . 2 'ZINC ION_1' 2 ZN 1 1 ZN . . 77 CYS SG . . . ZN . 25376 1 5 coordinate single . 1 entity_1 1 HIS 26 26 NE2 . 3 'ZINC ION_2' 2 ZN 1 1 ZN . . 74 HIS NE2 . . . ZN . 25376 1 6 coordinate single . 1 entity_1 1 CYS 40 40 SG . 3 'ZINC ION_2' 2 ZN 1 1 ZN . . 88 CYS SG . . . ZN . 25376 1 7 coordinate single . 1 entity_1 1 CYS 24 24 SG . 3 'ZINC ION_2' 2 ZN 1 1 ZN . . 72 CYS SG . . . ZN . 25376 1 8 coordinate single . 1 entity_1 1 CYS 43 43 SG . 3 'ZINC ION_2' 2 ZN 1 1 ZN . . 91 CYS SG . . . ZN . 25376 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 25376 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; EEEFQFLRCQQCQAEAKCPK LLPCLHTLCSGCLEASGMQC PICQAPWPLGADTPAL ; _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 56 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6113.158 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-10-07 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1BOR . "Transcription Factor Pml, A Proto-Oncoprotein, Nmr, 1 Representative Structure At Ph 7.5, 30 C, In The Presence Of Zinc" . . . . . 100.00 56 100.00 100.00 3.96e-30 . . . . 25376 1 2 no PDB 2MWX . "The Ring Domain Of Human Promyelocytic Leukemia Protein (pml)" . . . . . 100.00 56 100.00 100.00 3.96e-30 . . . . 25376 1 3 no DBJ BAD92187 . "promyelocytic leukemia protein isoform 11 variant [Homo sapiens]" . . . . . 100.00 571 100.00 100.00 2.87e-29 . . . . 25376 1 4 no DBJ BAD92288 . "promyelocytic leukemia protein isoform 8 variant [Homo sapiens]" . . . . . 96.43 372 100.00 100.00 8.75e-29 . . . . 25376 1 5 no DBJ BAD92648 . "promyelocytic leukemia protein isoform 1 variant [Homo sapiens]" . . . . . 100.00 862 100.00 100.00 2.26e-29 . . . . 25376 1 6 no DBJ BAG10798 . "promyelocytic leukemia [synthetic construct]" . . . . . 100.00 834 100.00 100.00 2.24e-29 . . . . 25376 1 7 no DBJ BAG62579 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 405 100.00 100.00 1.62e-28 . . . . 25376 1 8 no EMBL CAA44841 . "My1 (PML) [Homo sapiens]" . . . . . 100.00 633 100.00 100.00 1.93e-29 . . . . 25376 1 9 no GB AAA60125 . "PML-1 protein [Homo sapiens]" . . . . . 100.00 560 100.00 100.00 1.81e-29 . . . . 25376 1 10 no GB AAA60126 . "PML-RAR protein [Homo sapiens]" . . . . . 100.00 797 100.00 100.00 6.29e-29 . . . . 25376 1 11 no GB AAA60351 . "PML-2 [Homo sapiens]" . . . . . 100.00 589 100.00 100.00 1.24e-29 . . . . 25376 1 12 no GB AAA60352 . "putative [Homo sapiens]" . . . . . 100.00 538 100.00 100.00 1.21e-29 . . . . 25376 1 13 no GB AAA60388 . "PML-1 [Homo sapiens]" . . . . . 100.00 860 100.00 100.00 2.04e-29 . . . . 25376 1 14 no PIR S42517 . "PML protein, splice form 2 - human" . . . . . 100.00 589 100.00 100.00 1.32e-29 . . . . 25376 1 15 no PIR S42518 . "PML protein, splice form 3 - human" . . . . . 100.00 802 100.00 100.00 3.98e-29 . . . . 25376 1 16 no PIR S44380 . "PML protein, splice form 1 - human" . . . . . 100.00 860 100.00 100.00 2.04e-29 . . . . 25376 1 17 no REF NP_001035899 . "protein PML [Macaca mulatta]" . . . . . 100.00 882 98.21 98.21 1.18e-28 . . . . 25376 1 18 no REF NP_001035900 . "protein PML [Pan troglodytes]" . . . . . 100.00 884 100.00 100.00 2.52e-29 . . . . 25376 1 19 no REF NP_001266170 . "protein PML [Pan paniscus]" . . . . . 100.00 884 100.00 100.00 2.52e-29 . . . . 25376 1 20 no REF NP_001266654 . "promyelocytic leukemia [Gorilla gorilla]" . . . . . 100.00 882 100.00 100.00 2.41e-29 . . . . 25376 1 21 no REF NP_001267024 . "protein PML [Nomascus leucogenys]" . . . . . 100.00 882 100.00 100.00 2.66e-29 . . . . 25376 1 22 no SP P29590 . "RecName: Full=Protein PML; AltName: Full=Promyelocytic leukemia protein; AltName: Full=RING finger protein 71; AltName: Full=Tr" . . . . . 100.00 882 100.00 100.00 2.44e-29 . . . . 25376 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 49 GLU . 25376 1 2 50 GLU . 25376 1 3 51 GLU . 25376 1 4 52 PHE . 25376 1 5 53 GLN . 25376 1 6 54 PHE . 25376 1 7 55 LEU . 25376 1 8 56 ARG . 25376 1 9 57 CYS . 25376 1 10 58 GLN . 25376 1 11 59 GLN . 25376 1 12 60 CYS . 25376 1 13 61 GLN . 25376 1 14 62 ALA . 25376 1 15 63 GLU . 25376 1 16 64 ALA . 25376 1 17 65 LYS . 25376 1 18 66 CYS . 25376 1 19 67 PRO . 25376 1 20 68 LYS . 25376 1 21 69 LEU . 25376 1 22 70 LEU . 25376 1 23 71 PRO . 25376 1 24 72 CYS . 25376 1 25 73 LEU . 25376 1 26 74 HIS . 25376 1 27 75 THR . 25376 1 28 76 LEU . 25376 1 29 77 CYS . 25376 1 30 78 SER . 25376 1 31 79 GLY . 25376 1 32 80 CYS . 25376 1 33 81 LEU . 25376 1 34 82 GLU . 25376 1 35 83 ALA . 25376 1 36 84 SER . 25376 1 37 85 GLY . 25376 1 38 86 MET . 25376 1 39 87 GLN . 25376 1 40 88 CYS . 25376 1 41 89 PRO . 25376 1 42 90 ILE . 25376 1 43 91 CYS . 25376 1 44 92 GLN . 25376 1 45 93 ALA . 25376 1 46 94 PRO . 25376 1 47 95 TRP . 25376 1 48 96 PRO . 25376 1 49 97 LEU . 25376 1 50 98 GLY . 25376 1 51 99 ALA . 25376 1 52 100 ASP . 25376 1 53 101 THR . 25376 1 54 102 PRO . 25376 1 55 103 ALA . 25376 1 56 104 LEU . 25376 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 . GLU 1 1 25376 1 . GLU 2 2 25376 1 . GLU 3 3 25376 1 . PHE 4 4 25376 1 . GLN 5 5 25376 1 . PHE 6 6 25376 1 . LEU 7 7 25376 1 . ARG 8 8 25376 1 . CYS 9 9 25376 1 . GLN 10 10 25376 1 . GLN 11 11 25376 1 . CYS 12 12 25376 1 . GLN 13 13 25376 1 . ALA 14 14 25376 1 . GLU 15 15 25376 1 . ALA 16 16 25376 1 . LYS 17 17 25376 1 . CYS 18 18 25376 1 . PRO 19 19 25376 1 . LYS 20 20 25376 1 . LEU 21 21 25376 1 . LEU 22 22 25376 1 . PRO 23 23 25376 1 . CYS 24 24 25376 1 . LEU 25 25 25376 1 . HIS 26 26 25376 1 . THR 27 27 25376 1 . LEU 28 28 25376 1 . CYS 29 29 25376 1 . SER 30 30 25376 1 . GLY 31 31 25376 1 . CYS 32 32 25376 1 . LEU 33 33 25376 1 . GLU 34 34 25376 1 . ALA 35 35 25376 1 . SER 36 36 25376 1 . GLY 37 37 25376 1 . MET 38 38 25376 1 . GLN 39 39 25376 1 . CYS 40 40 25376 1 . PRO 41 41 25376 1 . ILE 42 42 25376 1 . CYS 43 43 25376 1 . GLN 44 44 25376 1 . ALA 45 45 25376 1 . PRO 46 46 25376 1 . TRP 47 47 25376 1 . PRO 48 48 25376 1 . LEU 49 49 25376 1 . GLY 50 50 25376 1 . ALA 51 51 25376 1 . ASP 52 52 25376 1 . THR 53 53 25376 1 . PRO 54 54 25376 1 . ALA 55 55 25376 1 . LEU 56 56 25376 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 25376 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _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 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 25376 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 25376 2 ZN 'Three letter code' 25376 2 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 1 ZN $chem_comp_ZN 25376 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 25376 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25376 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 25376 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pGEX4T-1 . . . 25376 1 2 2 $entity_ZN . 'obtained from a vendor' . . . . . . . . . . . . . . . . 25376 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 25376 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _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 . _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=1S/Zn/q+2 InChI InChI 1.03 25376 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 25376 ZN [Zn++] SMILES CACTVS 3.341 25376 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 25376 ZN [Zn+2] SMILES ACDLabs 10.04 25376 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 25376 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25376 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 25376 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25376 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 ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 25376 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25376 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 25376 1 2 TRIS '[U-98% 2H]' . . . . . . 25 . . mM . . . . 25376 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25376 1 4 TCEP 'natural abundance' . . . . . . 0.2 . . mM . . . . 25376 1 5 'zinc chloride' 'natural abundance' . . . . . . 1 . . mM . . . . 25376 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25376 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 25376 2 2 TRIS '[U-98% 2H]' . . . . . . 25 . . mM . . . . 25376 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25376 2 4 TCEP 'natural abundance' . . . . . . 0.2 . . mM . . . . 25376 2 5 'zinc chloride' 'natural abundance' . . . . . . 1 . . mM . . . . 25376 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25376 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 . pH 25376 1 pressure 1 . atm 25376 1 temperature 298 . K 25376 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25376 _Software.ID 1 _Software.Name CYANA _Software.Version 3.9 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25376 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25376 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25376 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.114 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25376 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25376 2 stop_ save_ save_Procheck _Software.Sf_category software _Software.Sf_framecode Procheck _Software.Entry_ID 25376 _Software.ID 3 _Software.Name Procheck _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Thornton' . . 25376 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25376 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25376 _Software.ID 4 _Software.Name TALOS _Software.Version 1.2009.0721.18 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25376 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Torsion angles prediction' 25376 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_AV600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode AV600 _NMR_spectrometer.Entry_ID 25376 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'equipped with a cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Uniform NMR System' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_AV800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode AV800 _NMR_spectrometer.Entry_ID 25376 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'equipped with a cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Uniform NMR System' _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 25376 _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 AV600 Bruker 'Uniform NMR System' . 600 'equipped with a cryoprobe' . . 25376 1 2 AV800 Bruker 'Uniform NMR System' . 800 'equipped with a cryoprobe' . . 25376 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 25376 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV600 . . . . . . . . . . . . . . . . 25376 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV600 . . . . . . . . . . . . . . . . 25376 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV600 . . . . . . . . . . . . . . . . 25376 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV600 . . . . . . . . . . . . . . . . 25376 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV600 . . . . . . . . . . . . . . . . 25376 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV600 . . . . . . . . . . . . . . . . 25376 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $AV800 . . . . . . . . . . . . . . . . 25376 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV600 . . . . . . . . . . . . . . . . 25376 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $AV800 . . . . . . . . . . . . . . . . 25376 1 10 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . $AV800 . . . . . . . . . . . . . . . . 25376 1 11 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV600 . . . . . . . . . . . . . . . . 25376 1 12 '2D (HB)CB(CGCDCE)HE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV600 . . . . . . . . . . . . . . . . 25376 1 13 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV600 . . . . . . . . . . . . . . . . 25376 1 14 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV600 . . . . . . . . . . . . . . . . 25376 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25376 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25376 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25376 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25376 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25376 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25376 1 2 '2D 1H-13C HSQC' . . . 25376 1 3 '3D CBCA(CO)NH' . . . 25376 1 4 '3D HNCO' . . . 25376 1 5 '3D HNCA' . . . 25376 1 6 '3D HCCH-TOCSY' . . . 25376 1 8 '3D 1H-15N TOCSY' . . . 25376 1 10 '3D 1H-13C NOESY aromatic' . . . 25376 1 11 '2D (HB)CB(CGCD)HD' . . . 25376 1 12 '2D (HB)CB(CGCDCE)HE' . . . 25376 1 13 '3D H(CCO)NH' . . . 25376 1 14 '3D C(CO)NH' . . . 25376 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 2 $SPARKY . . 25376 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLU H H 1 8.852 0.040 . 1 . . . A 49 GLU H1 . 25376 1 2 . 1 1 1 1 GLU HA H 1 4.217 0.040 . 1 . . . A 49 GLU HA . 25376 1 3 . 1 1 1 1 GLU HB2 H 1 1.930 0.040 . 2 . . . A 49 GLU HB2 . 25376 1 4 . 1 1 1 1 GLU HB3 H 1 2.035 0.040 . 2 . . . A 49 GLU HB3 . 25376 1 5 . 1 1 1 1 GLU HG2 H 1 2.253 0.040 . 2 . . . A 49 GLU HG2 . 25376 1 6 . 1 1 1 1 GLU HG3 H 1 2.253 0.040 . 2 . . . A 49 GLU HG3 . 25376 1 7 . 1 1 1 1 GLU CA C 13 57.240 0.400 . 1 . . . A 49 GLU CA . 25376 1 8 . 1 1 1 1 GLU CB C 13 29.128 0.400 . 1 . . . A 49 GLU CB . 25376 1 9 . 1 1 1 1 GLU CG C 13 35.702 0.400 . 1 . . . A 49 GLU CG . 25376 1 10 . 1 1 1 1 GLU N N 15 122.446 0.400 . 1 . . . A 49 GLU N . 25376 1 11 . 1 1 2 2 GLU H H 1 8.300 0.040 . 1 . . . A 50 GLU H . 25376 1 12 . 1 1 2 2 GLU HA H 1 4.168 0.040 . 1 . . . A 50 GLU HA . 25376 1 13 . 1 1 2 2 GLU HB2 H 1 1.882 0.040 . 2 . . . A 50 GLU HB2 . 25376 1 14 . 1 1 2 2 GLU HB3 H 1 1.882 0.040 . 2 . . . A 50 GLU HB3 . 25376 1 15 . 1 1 2 2 GLU HG2 H 1 2.181 0.040 . 2 . . . A 50 GLU HG2 . 25376 1 16 . 1 1 2 2 GLU HG3 H 1 2.181 0.040 . 2 . . . A 50 GLU HG3 . 25376 1 17 . 1 1 2 2 GLU CA C 13 56.824 0.400 . 1 . . . A 50 GLU CA . 25376 1 18 . 1 1 2 2 GLU CB C 13 29.718 0.400 . 1 . . . A 50 GLU CB . 25376 1 19 . 1 1 2 2 GLU CG C 13 35.619 0.400 . 1 . . . A 50 GLU CG . 25376 1 20 . 1 1 2 2 GLU N N 15 120.583 0.400 . 1 . . . A 50 GLU N . 25376 1 21 . 1 1 3 3 GLU H H 1 8.140 0.040 . 1 . . . A 51 GLU H . 25376 1 22 . 1 1 3 3 GLU HA H 1 4.124 0.040 . 1 . . . A 51 GLU HA . 25376 1 23 . 1 1 3 3 GLU HB2 H 1 1.815 0.040 . 2 . . . A 51 GLU HB2 . 25376 1 24 . 1 1 3 3 GLU HB3 H 1 1.815 0.040 . 2 . . . A 51 GLU HB3 . 25376 1 25 . 1 1 3 3 GLU HG2 H 1 2.103 0.040 . 2 . . . A 51 GLU HG2 . 25376 1 26 . 1 1 3 3 GLU HG3 H 1 2.016 0.040 . 2 . . . A 51 GLU HG3 . 25376 1 27 . 1 1 3 3 GLU CA C 13 56.362 0.400 . 1 . . . A 51 GLU CA . 25376 1 28 . 1 1 3 3 GLU CB C 13 29.727 0.400 . 1 . . . A 51 GLU CB . 25376 1 29 . 1 1 3 3 GLU CG C 13 35.538 0.400 . 1 . . . A 51 GLU CG . 25376 1 30 . 1 1 3 3 GLU N N 15 121.142 0.400 . 1 . . . A 51 GLU N . 25376 1 31 . 1 1 4 4 PHE H H 1 8.106 0.040 . 1 . . . A 52 PHE H . 25376 1 32 . 1 1 4 4 PHE HA H 1 4.515 0.040 . 1 . . . A 52 PHE HA . 25376 1 33 . 1 1 4 4 PHE HB2 H 1 2.976 0.040 . 2 . . . A 52 PHE HB2 . 25376 1 34 . 1 1 4 4 PHE HB3 H 1 2.904 0.040 . 2 . . . A 52 PHE HB3 . 25376 1 35 . 1 1 4 4 PHE HD1 H 1 7.153 0.040 . 3 . . . A 52 PHE HD1 . 25376 1 36 . 1 1 4 4 PHE HD2 H 1 7.153 0.040 . 3 . . . A 52 PHE HD2 . 25376 1 37 . 1 1 4 4 PHE CA C 13 57.409 0.400 . 1 . . . A 52 PHE CA . 25376 1 38 . 1 1 4 4 PHE CB C 13 39.326 0.400 . 1 . . . A 52 PHE CB . 25376 1 39 . 1 1 4 4 PHE CD1 C 13 131.752 0.400 . 3 . . . A 52 PHE CD1 . 25376 1 40 . 1 1 4 4 PHE N N 15 120.500 0.400 . 1 . . . A 52 PHE N . 25376 1 41 . 1 1 5 5 GLN H H 1 8.047 0.040 . 1 . . . A 53 GLN H . 25376 1 42 . 1 1 5 5 GLN HA H 1 4.212 0.040 . 1 . . . A 53 GLN HA . 25376 1 43 . 1 1 5 5 GLN HB2 H 1 1.871 0.040 . 2 . . . A 53 GLN HB2 . 25376 1 44 . 1 1 5 5 GLN HB3 H 1 1.768 0.040 . 2 . . . A 53 GLN HB3 . 25376 1 45 . 1 1 5 5 GLN HG2 H 1 2.137 0.040 . 2 . . . A 53 GLN HG2 . 25376 1 46 . 1 1 5 5 GLN HG3 H 1 2.137 0.040 . 2 . . . A 53 GLN HG3 . 25376 1 47 . 1 1 5 5 GLN HE21 H 1 7.444 0.040 . 2 . . . A 53 GLN HE21 . 25376 1 48 . 1 1 5 5 GLN HE22 H 1 6.774 0.040 . 2 . . . A 53 GLN HE22 . 25376 1 49 . 1 1 5 5 GLN CA C 13 55.345 0.400 . 1 . . . A 53 GLN CA . 25376 1 50 . 1 1 5 5 GLN CB C 13 29.357 0.400 . 1 . . . A 53 GLN CB . 25376 1 51 . 1 1 5 5 GLN CG C 13 33.420 0.400 . 1 . . . A 53 GLN CG . 25376 1 52 . 1 1 5 5 GLN N N 15 121.616 0.400 . 1 . . . A 53 GLN N . 25376 1 53 . 1 1 5 5 GLN NE2 N 15 112.151 0.400 . 1 . . . A 53 GLN NE2 . 25376 1 54 . 1 1 6 6 PHE H H 1 7.956 0.040 . 1 . . . A 54 PHE H . 25376 1 55 . 1 1 6 6 PHE HA H 1 4.648 0.040 . 1 . . . A 54 PHE HA . 25376 1 56 . 1 1 6 6 PHE HB2 H 1 3.097 0.040 . 2 . . . A 54 PHE HB2 . 25376 1 57 . 1 1 6 6 PHE HB3 H 1 2.857 0.040 . 2 . . . A 54 PHE HB3 . 25376 1 58 . 1 1 6 6 PHE HD1 H 1 7.210 0.040 . 3 . . . A 54 PHE HD1 . 25376 1 59 . 1 1 6 6 PHE HD2 H 1 7.210 0.040 . 3 . . . A 54 PHE HD2 . 25376 1 60 . 1 1 6 6 PHE CA C 13 56.824 0.400 . 1 . . . A 54 PHE CA . 25376 1 61 . 1 1 6 6 PHE CB C 13 39.522 0.400 . 1 . . . A 54 PHE CB . 25376 1 62 . 1 1 6 6 PHE CD1 C 13 131.649 0.400 . 3 . . . A 54 PHE CD1 . 25376 1 63 . 1 1 6 6 PHE N N 15 120.217 0.400 . 1 . . . A 54 PHE N . 25376 1 64 . 1 1 7 7 LEU H H 1 8.567 0.040 . 1 . . . A 55 LEU H . 25376 1 65 . 1 1 7 7 LEU HA H 1 4.386 0.040 . 1 . . . A 55 LEU HA . 25376 1 66 . 1 1 7 7 LEU HB2 H 1 1.611 0.040 . 2 . . . A 55 LEU HB2 . 25376 1 67 . 1 1 7 7 LEU HB3 H 1 1.611 0.040 . 2 . . . A 55 LEU HB3 . 25376 1 68 . 1 1 7 7 LEU HG H 1 1.487 0.040 . 1 . . . A 55 LEU HG . 25376 1 69 . 1 1 7 7 LEU HD11 H 1 0.866 0.040 . 2 . . . A 55 LEU HD11 . 25376 1 70 . 1 1 7 7 LEU HD12 H 1 0.866 0.040 . 2 . . . A 55 LEU HD12 . 25376 1 71 . 1 1 7 7 LEU HD13 H 1 0.866 0.040 . 2 . . . A 55 LEU HD13 . 25376 1 72 . 1 1 7 7 LEU HD21 H 1 0.866 0.040 . 2 . . . A 55 LEU HD21 . 25376 1 73 . 1 1 7 7 LEU HD22 H 1 0.866 0.040 . 2 . . . A 55 LEU HD22 . 25376 1 74 . 1 1 7 7 LEU HD23 H 1 0.866 0.040 . 2 . . . A 55 LEU HD23 . 25376 1 75 . 1 1 7 7 LEU CA C 13 54.421 0.400 . 1 . . . A 55 LEU CA . 25376 1 76 . 1 1 7 7 LEU CB C 13 43.024 0.400 . 1 . . . A 55 LEU CB . 25376 1 77 . 1 1 7 7 LEU CG C 13 27.036 0.400 . 1 . . . A 55 LEU CG . 25376 1 78 . 1 1 7 7 LEU CD1 C 13 24.746 0.400 . 2 . . . A 55 LEU CD1 . 25376 1 79 . 1 1 7 7 LEU CD2 C 13 23.307 0.400 . 2 . . . A 55 LEU CD2 . 25376 1 80 . 1 1 7 7 LEU N N 15 123.391 0.400 . 1 . . . A 55 LEU N . 25376 1 81 . 1 1 8 8 ARG H H 1 8.101 0.040 . 1 . . . A 56 ARG H . 25376 1 82 . 1 1 8 8 ARG HA H 1 4.569 0.040 . 1 . . . A 56 ARG HA . 25376 1 83 . 1 1 8 8 ARG HB2 H 1 1.503 0.040 . 2 . . . A 56 ARG HB2 . 25376 1 84 . 1 1 8 8 ARG HB3 H 1 1.503 0.040 . 2 . . . A 56 ARG HB3 . 25376 1 85 . 1 1 8 8 ARG HG2 H 1 1.338 0.040 . 2 . . . A 56 ARG HG2 . 25376 1 86 . 1 1 8 8 ARG HG3 H 1 1.338 0.040 . 2 . . . A 56 ARG HG3 . 25376 1 87 . 1 1 8 8 ARG HD2 H 1 3.110 0.040 . 2 . . . A 56 ARG HD2 . 25376 1 88 . 1 1 8 8 ARG HD3 H 1 3.032 0.040 . 2 . . . A 56 ARG HD3 . 25376 1 89 . 1 1 8 8 ARG CA C 13 54.553 0.400 . 1 . . . A 56 ARG CA . 25376 1 90 . 1 1 8 8 ARG CB C 13 31.817 0.400 . 1 . . . A 56 ARG CB . 25376 1 91 . 1 1 8 8 ARG CG C 13 27.283 0.400 . 1 . . . A 56 ARG CG . 25376 1 92 . 1 1 8 8 ARG CD C 13 43.015 0.400 . 1 . . . A 56 ARG CD . 25376 1 93 . 1 1 8 8 ARG N N 15 120.442 0.400 . 1 . . . A 56 ARG N . 25376 1 94 . 1 1 9 9 CYS H H 1 8.828 0.040 . 1 . . . A 57 CYS H . 25376 1 95 . 1 1 9 9 CYS HA H 1 3.953 0.040 . 1 . . . A 57 CYS HA . 25376 1 96 . 1 1 9 9 CYS HB2 H 1 3.362 0.040 . 2 . . . A 57 CYS HB2 . 25376 1 97 . 1 1 9 9 CYS HB3 H 1 2.632 0.040 . 2 . . . A 57 CYS HB3 . 25376 1 98 . 1 1 9 9 CYS CA C 13 59.135 0.400 . 1 . . . A 57 CYS CA . 25376 1 99 . 1 1 9 9 CYS CB C 13 31.290 0.400 . 1 . . . A 57 CYS CB . 25376 1 100 . 1 1 9 9 CYS N N 15 123.891 0.400 . 1 . . . A 57 CYS N . 25376 1 101 . 1 1 10 10 GLN H H 1 9.222 0.040 . 1 . . . A 58 GLN H . 25376 1 102 . 1 1 10 10 GLN HA H 1 4.121 0.040 . 1 . . . A 58 GLN HA . 25376 1 103 . 1 1 10 10 GLN HB2 H 1 2.086 0.040 . 2 . . . A 58 GLN HB2 . 25376 1 104 . 1 1 10 10 GLN HB3 H 1 2.086 0.040 . 2 . . . A 58 GLN HB3 . 25376 1 105 . 1 1 10 10 GLN HG2 H 1 2.658 0.040 . 2 . . . A 58 GLN HG2 . 25376 1 106 . 1 1 10 10 GLN HG3 H 1 2.492 0.040 . 2 . . . A 58 GLN HG3 . 25376 1 107 . 1 1 10 10 GLN HE21 H 1 7.627 0.040 . 2 . . . A 58 GLN HE21 . 25376 1 108 . 1 1 10 10 GLN HE22 H 1 7.079 0.040 . 2 . . . A 58 GLN HE22 . 25376 1 109 . 1 1 10 10 GLN CA C 13 58.528 0.400 . 1 . . . A 58 GLN CA . 25376 1 110 . 1 1 10 10 GLN CB C 13 29.950 0.400 . 1 . . . A 58 GLN CB . 25376 1 111 . 1 1 10 10 GLN CG C 13 36.694 0.400 . 1 . . . A 58 GLN CG . 25376 1 112 . 1 1 10 10 GLN N N 15 128.172 0.400 . 1 . . . A 58 GLN N . 25376 1 113 . 1 1 10 10 GLN NE2 N 15 110.577 0.400 . 1 . . . A 58 GLN NE2 . 25376 1 114 . 1 1 11 11 GLN H H 1 9.200 0.040 . 1 . . . A 59 GLN H . 25376 1 115 . 1 1 11 11 GLN HA H 1 4.589 0.040 . 1 . . . A 59 GLN HA . 25376 1 116 . 1 1 11 11 GLN HB2 H 1 2.482 0.040 . 2 . . . A 59 GLN HB2 . 25376 1 117 . 1 1 11 11 GLN HB3 H 1 1.685 0.040 . 2 . . . A 59 GLN HB3 . 25376 1 118 . 1 1 11 11 GLN HG2 H 1 2.347 0.040 . 2 . . . A 59 GLN HG2 . 25376 1 119 . 1 1 11 11 GLN HG3 H 1 2.060 0.040 . 2 . . . A 59 GLN HG3 . 25376 1 120 . 1 1 11 11 GLN HE21 H 1 7.505 0.040 . 2 . . . A 59 GLN HE21 . 25376 1 121 . 1 1 11 11 GLN HE22 H 1 6.728 0.040 . 2 . . . A 59 GLN HE22 . 25376 1 122 . 1 1 11 11 GLN CA C 13 57.609 0.400 . 1 . . . A 59 GLN CA . 25376 1 123 . 1 1 11 11 GLN CB C 13 29.717 0.400 . 1 . . . A 59 GLN CB . 25376 1 124 . 1 1 11 11 GLN CG C 13 33.729 0.400 . 1 . . . A 59 GLN CG . 25376 1 125 . 1 1 11 11 GLN N N 15 121.709 0.400 . 1 . . . A 59 GLN N . 25376 1 126 . 1 1 11 11 GLN NE2 N 15 111.895 0.400 . 1 . . . A 59 GLN NE2 . 25376 1 127 . 1 1 12 12 CYS H H 1 8.566 0.040 . 1 . . . A 60 CYS H . 25376 1 128 . 1 1 12 12 CYS HA H 1 4.794 0.040 . 1 . . . A 60 CYS HA . 25376 1 129 . 1 1 12 12 CYS HB2 H 1 3.188 0.040 . 2 . . . A 60 CYS HB2 . 25376 1 130 . 1 1 12 12 CYS HB3 H 1 2.499 0.040 . 2 . . . A 60 CYS HB3 . 25376 1 131 . 1 1 12 12 CYS CA C 13 59.458 0.400 . 1 . . . A 60 CYS CA . 25376 1 132 . 1 1 12 12 CYS CB C 13 32.179 0.400 . 1 . . . A 60 CYS CB . 25376 1 133 . 1 1 12 12 CYS N N 15 119.482 0.400 . 1 . . . A 60 CYS N . 25376 1 134 . 1 1 13 13 GLN H H 1 7.672 0.040 . 1 . . . A 61 GLN H . 25376 1 135 . 1 1 13 13 GLN HA H 1 4.153 0.040 . 1 . . . A 61 GLN HA . 25376 1 136 . 1 1 13 13 GLN HB2 H 1 2.382 0.040 . 2 . . . A 61 GLN HB2 . 25376 1 137 . 1 1 13 13 GLN HB3 H 1 2.382 0.040 . 2 . . . A 61 GLN HB3 . 25376 1 138 . 1 1 13 13 GLN HG2 H 1 2.256 0.040 . 2 . . . A 61 GLN HG2 . 25376 1 139 . 1 1 13 13 GLN HG3 H 1 2.113 0.040 . 2 . . . A 61 GLN HG3 . 25376 1 140 . 1 1 13 13 GLN HE21 H 1 7.109 0.040 . 2 . . . A 61 GLN HE21 . 25376 1 141 . 1 1 13 13 GLN HE22 H 1 6.500 0.040 . 2 . . . A 61 GLN HE22 . 25376 1 142 . 1 1 13 13 GLN CA C 13 57.979 0.400 . 1 . . . A 61 GLN CA . 25376 1 143 . 1 1 13 13 GLN CB C 13 25.342 0.400 . 1 . . . A 61 GLN CB . 25376 1 144 . 1 1 13 13 GLN CG C 13 33.651 0.400 . 1 . . . A 61 GLN CG . 25376 1 145 . 1 1 13 13 GLN N N 15 115.153 0.400 . 1 . . . A 61 GLN N . 25376 1 146 . 1 1 13 13 GLN NE2 N 15 112.264 0.400 . 1 . . . A 61 GLN NE2 . 25376 1 147 . 1 1 14 14 ALA H H 1 8.728 0.040 . 1 . . . A 62 ALA H . 25376 1 148 . 1 1 14 14 ALA HA H 1 4.437 0.040 . 1 . . . A 62 ALA HA . 25376 1 149 . 1 1 14 14 ALA HB1 H 1 1.502 0.040 . 1 . . . A 62 ALA HB1 . 25376 1 150 . 1 1 14 14 ALA HB2 H 1 1.502 0.040 . 1 . . . A 62 ALA HB2 . 25376 1 151 . 1 1 14 14 ALA HB3 H 1 1.502 0.040 . 1 . . . A 62 ALA HB3 . 25376 1 152 . 1 1 14 14 ALA CA C 13 52.064 0.400 . 1 . . . A 62 ALA CA . 25376 1 153 . 1 1 14 14 ALA CB C 13 20.822 0.400 . 1 . . . A 62 ALA CB . 25376 1 154 . 1 1 14 14 ALA N N 15 124.669 0.400 . 1 . . . A 62 ALA N . 25376 1 155 . 1 1 15 15 GLU H H 1 8.523 0.040 . 1 . . . A 63 GLU H . 25376 1 156 . 1 1 15 15 GLU HA H 1 4.037 0.040 . 1 . . . A 63 GLU HA . 25376 1 157 . 1 1 15 15 GLU HB2 H 1 1.717 0.040 . 2 . . . A 63 GLU HB2 . 25376 1 158 . 1 1 15 15 GLU HB3 H 1 1.717 0.040 . 2 . . . A 63 GLU HB3 . 25376 1 159 . 1 1 15 15 GLU HG2 H 1 2.100 0.040 . 2 . . . A 63 GLU HG2 . 25376 1 160 . 1 1 15 15 GLU HG3 H 1 1.932 0.040 . 2 . . . A 63 GLU HG3 . 25376 1 161 . 1 1 15 15 GLU CA C 13 57.332 0.400 . 1 . . . A 63 GLU CA . 25376 1 162 . 1 1 15 15 GLU CB C 13 29.262 0.400 . 1 . . . A 63 GLU CB . 25376 1 163 . 1 1 15 15 GLU CG C 13 35.734 0.400 . 1 . . . A 63 GLU CG . 25376 1 164 . 1 1 15 15 GLU N N 15 119.649 0.400 . 1 . . . A 63 GLU N . 25376 1 165 . 1 1 16 16 ALA H H 1 8.581 0.040 . 1 . . . A 64 ALA H . 25376 1 166 . 1 1 16 16 ALA HA H 1 4.386 0.040 . 1 . . . A 64 ALA HA . 25376 1 167 . 1 1 16 16 ALA HB1 H 1 0.944 0.040 . 1 . . . A 64 ALA HB1 . 25376 1 168 . 1 1 16 16 ALA HB2 H 1 0.944 0.040 . 1 . . . A 64 ALA HB2 . 25376 1 169 . 1 1 16 16 ALA HB3 H 1 0.944 0.040 . 1 . . . A 64 ALA HB3 . 25376 1 170 . 1 1 16 16 ALA CA C 13 50.354 0.400 . 1 . . . A 64 ALA CA . 25376 1 171 . 1 1 16 16 ALA CB C 13 18.335 0.400 . 1 . . . A 64 ALA CB . 25376 1 172 . 1 1 16 16 ALA N N 15 128.762 0.400 . 1 . . . A 64 ALA N . 25376 1 173 . 1 1 17 17 LYS H H 1 8.175 0.040 . 1 . . . A 65 LYS H . 25376 1 174 . 1 1 17 17 LYS HA H 1 4.081 0.040 . 1 . . . A 65 LYS HA . 25376 1 175 . 1 1 17 17 LYS HB2 H 1 1.659 0.040 . 2 . . . A 65 LYS HB2 . 25376 1 176 . 1 1 17 17 LYS HB3 H 1 1.659 0.040 . 2 . . . A 65 LYS HB3 . 25376 1 177 . 1 1 17 17 LYS HG2 H 1 1.272 0.040 . 2 . . . A 65 LYS HG2 . 25376 1 178 . 1 1 17 17 LYS HG3 H 1 1.115 0.040 . 2 . . . A 65 LYS HG3 . 25376 1 179 . 1 1 17 17 LYS HD2 H 1 1.522 0.040 . 2 . . . A 65 LYS HD2 . 25376 1 180 . 1 1 17 17 LYS HD3 H 1 1.522 0.040 . 2 . . . A 65 LYS HD3 . 25376 1 181 . 1 1 17 17 LYS HE2 H 1 2.821 0.040 . 2 . . . A 65 LYS HE2 . 25376 1 182 . 1 1 17 17 LYS HE3 H 1 2.821 0.040 . 2 . . . A 65 LYS HE3 . 25376 1 183 . 1 1 17 17 LYS CA C 13 57.055 0.400 . 1 . . . A 65 LYS CA . 25376 1 184 . 1 1 17 17 LYS CB C 13 32.306 0.400 . 1 . . . A 65 LYS CB . 25376 1 185 . 1 1 17 17 LYS CG C 13 24.904 0.400 . 1 . . . A 65 LYS CG . 25376 1 186 . 1 1 17 17 LYS CD C 13 29.294 0.400 . 1 . . . A 65 LYS CD . 25376 1 187 . 1 1 17 17 LYS CE C 13 41.773 0.400 . 1 . . . A 65 LYS CE . 25376 1 188 . 1 1 17 17 LYS N N 15 122.223 0.400 . 1 . . . A 65 LYS N . 25376 1 189 . 1 1 18 18 CYS H H 1 8.790 0.040 . 1 . . . A 66 CYS H . 25376 1 190 . 1 1 18 18 CYS HA H 1 4.692 0.040 . 1 . . . A 66 CYS HA . 25376 1 191 . 1 1 18 18 CYS HB2 H 1 3.175 0.040 . 2 . . . A 66 CYS HB2 . 25376 1 192 . 1 1 18 18 CYS HB3 H 1 2.969 0.040 . 2 . . . A 66 CYS HB3 . 25376 1 193 . 1 1 18 18 CYS CA C 13 53.727 0.400 . 1 . . . A 66 CYS CA . 25376 1 194 . 1 1 18 18 CYS N N 15 117.296 0.400 . 1 . . . A 66 CYS N . 25376 1 195 . 1 1 19 19 PRO HA H 1 4.397 0.040 . 1 . . . A 67 PRO HA . 25376 1 196 . 1 1 19 19 PRO HB2 H 1 2.158 0.040 . 2 . . . A 67 PRO HB2 . 25376 1 197 . 1 1 19 19 PRO HB3 H 1 2.158 0.040 . 2 . . . A 67 PRO HB3 . 25376 1 198 . 1 1 19 19 PRO HG2 H 1 1.921 0.040 . 2 . . . A 67 PRO HG2 . 25376 1 199 . 1 1 19 19 PRO HG3 H 1 1.845 0.040 . 2 . . . A 67 PRO HG3 . 25376 1 200 . 1 1 19 19 PRO HD2 H 1 3.457 0.040 . 2 . . . A 67 PRO HD2 . 25376 1 201 . 1 1 19 19 PRO HD3 H 1 3.457 0.040 . 2 . . . A 67 PRO HD3 . 25376 1 202 . 1 1 19 19 PRO CA C 13 62.829 0.400 . 1 . . . A 67 PRO CA . 25376 1 203 . 1 1 19 19 PRO CB C 13 31.785 0.400 . 1 . . . A 67 PRO CB . 25376 1 204 . 1 1 19 19 PRO CG C 13 27.119 0.400 . 1 . . . A 67 PRO CG . 25376 1 205 . 1 1 19 19 PRO CD C 13 50.449 0.400 . 1 . . . A 67 PRO CD . 25376 1 206 . 1 1 20 20 LYS H H 1 8.662 0.040 . 1 . . . A 68 LYS H . 25376 1 207 . 1 1 20 20 LYS HA H 1 4.285 0.040 . 1 . . . A 68 LYS HA . 25376 1 208 . 1 1 20 20 LYS HB2 H 1 1.606 0.040 . 2 . . . A 68 LYS HB2 . 25376 1 209 . 1 1 20 20 LYS HB3 H 1 1.606 0.040 . 2 . . . A 68 LYS HB3 . 25376 1 210 . 1 1 20 20 LYS HG2 H 1 1.266 0.040 . 2 . . . A 68 LYS HG2 . 25376 1 211 . 1 1 20 20 LYS HG3 H 1 1.266 0.040 . 2 . . . A 68 LYS HG3 . 25376 1 212 . 1 1 20 20 LYS HD2 H 1 1.499 0.040 . 2 . . . A 68 LYS HD2 . 25376 1 213 . 1 1 20 20 LYS HD3 H 1 1.499 0.040 . 2 . . . A 68 LYS HD3 . 25376 1 214 . 1 1 20 20 LYS HE2 H 1 2.839 0.040 . 2 . . . A 68 LYS HE2 . 25376 1 215 . 1 1 20 20 LYS HE3 H 1 2.839 0.040 . 2 . . . A 68 LYS HE3 . 25376 1 216 . 1 1 20 20 LYS CA C 13 54.929 0.400 . 1 . . . A 68 LYS CA . 25376 1 217 . 1 1 20 20 LYS CB C 13 33.327 0.400 . 1 . . . A 68 LYS CB . 25376 1 218 . 1 1 20 20 LYS CG C 13 24.488 0.400 . 1 . . . A 68 LYS CG . 25376 1 219 . 1 1 20 20 LYS CD C 13 28.620 0.400 . 1 . . . A 68 LYS CD . 25376 1 220 . 1 1 20 20 LYS CE C 13 42.070 0.400 . 1 . . . A 68 LYS CE . 25376 1 221 . 1 1 20 20 LYS N N 15 121.724 0.400 . 1 . . . A 68 LYS N . 25376 1 222 . 1 1 21 21 LEU H H 1 8.320 0.040 . 1 . . . A 69 LEU H . 25376 1 223 . 1 1 21 21 LEU HA H 1 4.474 0.040 . 1 . . . A 69 LEU HA . 25376 1 224 . 1 1 21 21 LEU HB2 H 1 1.625 0.040 . 2 . . . A 69 LEU HB2 . 25376 1 225 . 1 1 21 21 LEU HB3 H 1 1.625 0.040 . 2 . . . A 69 LEU HB3 . 25376 1 226 . 1 1 21 21 LEU HG H 1 1.362 0.040 . 1 . . . A 69 LEU HG . 25376 1 227 . 1 1 21 21 LEU HD11 H 1 0.765 0.040 . 2 . . . A 69 LEU HD11 . 25376 1 228 . 1 1 21 21 LEU HD12 H 1 0.765 0.040 . 2 . . . A 69 LEU HD12 . 25376 1 229 . 1 1 21 21 LEU HD13 H 1 0.765 0.040 . 2 . . . A 69 LEU HD13 . 25376 1 230 . 1 1 21 21 LEU HD21 H 1 0.765 0.040 . 2 . . . A 69 LEU HD21 . 25376 1 231 . 1 1 21 21 LEU HD22 H 1 0.765 0.040 . 2 . . . A 69 LEU HD22 . 25376 1 232 . 1 1 21 21 LEU HD23 H 1 0.765 0.040 . 2 . . . A 69 LEU HD23 . 25376 1 233 . 1 1 21 21 LEU CA C 13 54.454 0.400 . 1 . . . A 69 LEU CA . 25376 1 234 . 1 1 21 21 LEU CB C 13 41.720 0.400 . 1 . . . A 69 LEU CB . 25376 1 235 . 1 1 21 21 LEU CG C 13 26.817 0.400 . 1 . . . A 69 LEU CG . 25376 1 236 . 1 1 21 21 LEU CD1 C 13 24.603 0.400 . 2 . . . A 69 LEU CD1 . 25376 1 237 . 1 1 21 21 LEU CD2 C 13 22.398 0.400 . 2 . . . A 69 LEU CD2 . 25376 1 238 . 1 1 21 21 LEU N N 15 125.851 0.400 . 1 . . . A 69 LEU N . 25376 1 239 . 1 1 22 22 LEU H H 1 8.677 0.040 . 1 . . . A 70 LEU H . 25376 1 240 . 1 1 22 22 LEU HA H 1 4.648 0.040 . 1 . . . A 70 LEU HA . 25376 1 241 . 1 1 22 22 LEU HB2 H 1 2.060 0.040 . 2 . . . A 70 LEU HB2 . 25376 1 242 . 1 1 22 22 LEU HB3 H 1 2.060 0.040 . 2 . . . A 70 LEU HB3 . 25376 1 243 . 1 1 22 22 LEU HG H 1 1.725 0.040 . 1 . . . A 70 LEU HG . 25376 1 244 . 1 1 22 22 LEU HD11 H 1 0.918 0.040 . 2 . . . A 70 LEU HD11 . 25376 1 245 . 1 1 22 22 LEU HD12 H 1 0.918 0.040 . 2 . . . A 70 LEU HD12 . 25376 1 246 . 1 1 22 22 LEU HD13 H 1 0.918 0.040 . 2 . . . A 70 LEU HD13 . 25376 1 247 . 1 1 22 22 LEU HD21 H 1 0.603 0.040 . 2 . . . A 70 LEU HD21 . 25376 1 248 . 1 1 22 22 LEU HD22 H 1 0.603 0.040 . 2 . . . A 70 LEU HD22 . 25376 1 249 . 1 1 22 22 LEU HD23 H 1 0.603 0.040 . 2 . . . A 70 LEU HD23 . 25376 1 250 . 1 1 22 22 LEU CA C 13 53.127 0.400 . 1 . . . A 70 LEU CA . 25376 1 251 . 1 1 22 22 LEU CB C 13 42.832 0.400 . 1 . . . A 70 LEU CB . 25376 1 252 . 1 1 22 22 LEU CG C 13 27.429 0.400 . 1 . . . A 70 LEU CG . 25376 1 253 . 1 1 22 22 LEU CD1 C 13 25.244 0.400 . 2 . . . A 70 LEU CD1 . 25376 1 254 . 1 1 22 22 LEU CD2 C 13 22.105 0.400 . 2 . . . A 70 LEU CD2 . 25376 1 255 . 1 1 22 22 LEU N N 15 128.488 0.400 . 1 . . . A 70 LEU N . 25376 1 256 . 1 1 23 23 PRO HA H 1 4.276 0.040 . 1 . . . A 71 PRO HA . 25376 1 257 . 1 1 23 23 PRO HB2 H 1 2.338 0.040 . 2 . . . A 71 PRO HB2 . 25376 1 258 . 1 1 23 23 PRO HB3 H 1 2.338 0.040 . 2 . . . A 71 PRO HB3 . 25376 1 259 . 1 1 23 23 PRO HG2 H 1 2.106 0.040 . 2 . . . A 71 PRO HG2 . 25376 1 260 . 1 1 23 23 PRO HG3 H 1 2.106 0.040 . 2 . . . A 71 PRO HG3 . 25376 1 261 . 1 1 23 23 PRO HD2 H 1 3.787 0.040 . 2 . . . A 71 PRO HD2 . 25376 1 262 . 1 1 23 23 PRO HD3 H 1 3.787 0.040 . 2 . . . A 71 PRO HD3 . 25376 1 263 . 1 1 23 23 PRO CA C 13 64.790 0.400 . 1 . . . A 71 PRO CA . 25376 1 264 . 1 1 23 23 PRO CB C 13 31.460 0.400 . 1 . . . A 71 PRO CB . 25376 1 265 . 1 1 23 23 PRO CG C 13 27.697 0.400 . 1 . . . A 71 PRO CG . 25376 1 266 . 1 1 23 23 PRO CD C 13 50.276 0.400 . 1 . . . A 71 PRO CD . 25376 1 267 . 1 1 24 24 CYS H H 1 7.204 0.040 . 1 . . . A 72 CYS H . 25376 1 268 . 1 1 24 24 CYS HA H 1 4.274 0.040 . 1 . . . A 72 CYS HA . 25376 1 269 . 1 1 24 24 CYS HB2 H 1 2.856 0.040 . 2 . . . A 72 CYS HB2 . 25376 1 270 . 1 1 24 24 CYS HB3 H 1 2.652 0.040 . 2 . . . A 72 CYS HB3 . 25376 1 271 . 1 1 24 24 CYS CA C 13 57.194 0.400 . 1 . . . A 72 CYS CA . 25376 1 272 . 1 1 24 24 CYS CB C 13 31.085 0.400 . 1 . . . A 72 CYS CB . 25376 1 273 . 1 1 24 24 CYS N N 15 112.135 0.400 . 1 . . . A 72 CYS N . 25376 1 274 . 1 1 25 25 LEU H H 1 8.043 0.040 . 1 . . . A 73 LEU H . 25376 1 275 . 1 1 25 25 LEU HA H 1 3.868 0.040 . 1 . . . A 73 LEU HA . 25376 1 276 . 1 1 25 25 LEU HB2 H 1 1.974 0.040 . 2 . . . A 73 LEU HB2 . 25376 1 277 . 1 1 25 25 LEU HB3 H 1 1.974 0.040 . 2 . . . A 73 LEU HB3 . 25376 1 278 . 1 1 25 25 LEU HG H 1 1.533 0.040 . 1 . . . A 73 LEU HG . 25376 1 279 . 1 1 25 25 LEU HD11 H 1 1.350 0.040 . 2 . . . A 73 LEU HD11 . 25376 1 280 . 1 1 25 25 LEU HD12 H 1 1.350 0.040 . 2 . . . A 73 LEU HD12 . 25376 1 281 . 1 1 25 25 LEU HD13 H 1 1.350 0.040 . 2 . . . A 73 LEU HD13 . 25376 1 282 . 1 1 25 25 LEU HD21 H 1 0.791 0.040 . 2 . . . A 73 LEU HD21 . 25376 1 283 . 1 1 25 25 LEU HD22 H 1 0.791 0.040 . 2 . . . A 73 LEU HD22 . 25376 1 284 . 1 1 25 25 LEU HD23 H 1 0.791 0.040 . 2 . . . A 73 LEU HD23 . 25376 1 285 . 1 1 25 25 LEU CA C 13 56.500 0.400 . 1 . . . A 73 LEU CA . 25376 1 286 . 1 1 25 25 LEU CB C 13 37.671 0.400 . 1 . . . A 73 LEU CB . 25376 1 287 . 1 1 25 25 LEU CG C 13 26.444 0.400 . 1 . . . A 73 LEU CG . 25376 1 288 . 1 1 25 25 LEU CD1 C 13 24.769 0.400 . 2 . . . A 73 LEU CD1 . 25376 1 289 . 1 1 25 25 LEU CD2 C 13 22.555 0.400 . 2 . . . A 73 LEU CD2 . 25376 1 290 . 1 1 25 25 LEU N N 15 114.341 0.400 . 1 . . . A 73 LEU N . 25376 1 291 . 1 1 26 26 HIS H H 1 7.831 0.040 . 1 . . . A 74 HIS H . 25376 1 292 . 1 1 26 26 HIS HA H 1 4.990 0.040 . 1 . . . A 74 HIS HA . 25376 1 293 . 1 1 26 26 HIS HB2 H 1 3.280 0.040 . 2 . . . A 74 HIS HB2 . 25376 1 294 . 1 1 26 26 HIS HB3 H 1 2.719 0.040 . 2 . . . A 74 HIS HB3 . 25376 1 295 . 1 1 26 26 HIS HD2 H 1 7.337 0.040 . 1 . . . A 74 HIS HD2 . 25376 1 296 . 1 1 26 26 HIS HE1 H 1 7.836 0.040 . 1 . . . A 74 HIS HE1 . 25376 1 297 . 1 1 26 26 HIS CA C 13 58.672 0.400 . 1 . . . A 74 HIS CA . 25376 1 298 . 1 1 26 26 HIS CB C 13 31.354 0.400 . 1 . . . A 74 HIS CB . 25376 1 299 . 1 1 26 26 HIS CD2 C 13 118.767 0.400 . 1 . . . A 74 HIS CD2 . 25376 1 300 . 1 1 26 26 HIS CE1 C 13 138.125 0.400 . 1 . . . A 74 HIS CE1 . 25376 1 301 . 1 1 26 26 HIS N N 15 120.386 0.400 . 1 . . . A 74 HIS N . 25376 1 302 . 1 1 27 27 THR H H 1 8.889 0.040 . 1 . . . A 75 THR H . 25376 1 303 . 1 1 27 27 THR HA H 1 4.730 0.040 . 1 . . . A 75 THR HA . 25376 1 304 . 1 1 27 27 THR HB H 1 3.950 0.040 . 1 . . . A 75 THR HB . 25376 1 305 . 1 1 27 27 THR HG21 H 1 0.939 0.040 . 1 . . . A 75 THR HG21 . 25376 1 306 . 1 1 27 27 THR HG22 H 1 0.939 0.040 . 1 . . . A 75 THR HG22 . 25376 1 307 . 1 1 27 27 THR HG23 H 1 0.939 0.040 . 1 . . . A 75 THR HG23 . 25376 1 308 . 1 1 27 27 THR CA C 13 62.185 0.400 . 1 . . . A 75 THR CA . 25376 1 309 . 1 1 27 27 THR CB C 13 69.640 0.400 . 1 . . . A 75 THR CB . 25376 1 310 . 1 1 27 27 THR CG2 C 13 21.733 0.400 . 1 . . . A 75 THR CG2 . 25376 1 311 . 1 1 27 27 THR N N 15 118.963 0.400 . 1 . . . A 75 THR N . 25376 1 312 . 1 1 28 28 LEU H H 1 8.767 0.040 . 1 . . . A 76 LEU H . 25376 1 313 . 1 1 28 28 LEU HA H 1 5.933 0.040 . 1 . . . A 76 LEU HA . 25376 1 314 . 1 1 28 28 LEU HB2 H 1 1.824 0.040 . 2 . . . A 76 LEU HB2 . 25376 1 315 . 1 1 28 28 LEU HB3 H 1 1.600 0.040 . 2 . . . A 76 LEU HB3 . 25376 1 316 . 1 1 28 28 LEU HG H 1 1.687 0.040 . 1 . . . A 76 LEU HG . 25376 1 317 . 1 1 28 28 LEU HD11 H 1 1.021 0.040 . 2 . . . A 76 LEU HD11 . 25376 1 318 . 1 1 28 28 LEU HD12 H 1 1.021 0.040 . 2 . . . A 76 LEU HD12 . 25376 1 319 . 1 1 28 28 LEU HD13 H 1 1.021 0.040 . 2 . . . A 76 LEU HD13 . 25376 1 320 . 1 1 28 28 LEU HD21 H 1 0.969 0.040 . 2 . . . A 76 LEU HD21 . 25376 1 321 . 1 1 28 28 LEU HD22 H 1 0.969 0.040 . 2 . . . A 76 LEU HD22 . 25376 1 322 . 1 1 28 28 LEU HD23 H 1 0.969 0.040 . 2 . . . A 76 LEU HD23 . 25376 1 323 . 1 1 28 28 LEU CA C 13 51.509 0.400 . 1 . . . A 76 LEU CA . 25376 1 324 . 1 1 28 28 LEU CB C 13 46.194 0.400 . 1 . . . A 76 LEU CB . 25376 1 325 . 1 1 28 28 LEU CG C 13 28.446 0.400 . 1 . . . A 76 LEU CG . 25376 1 326 . 1 1 28 28 LEU CD1 C 13 26.402 0.400 . 2 . . . A 76 LEU CD1 . 25376 1 327 . 1 1 28 28 LEU CD2 C 13 24.643 0.400 . 2 . . . A 76 LEU CD2 . 25376 1 328 . 1 1 28 28 LEU N N 15 128.330 0.400 . 1 . . . A 76 LEU N . 25376 1 329 . 1 1 29 29 CYS H H 1 9.510 0.040 . 1 . . . A 77 CYS H . 25376 1 330 . 1 1 29 29 CYS HA H 1 4.732 0.040 . 1 . . . A 77 CYS HA . 25376 1 331 . 1 1 29 29 CYS HB2 H 1 3.546 0.040 . 2 . . . A 77 CYS HB2 . 25376 1 332 . 1 1 29 29 CYS HB3 H 1 2.806 0.040 . 2 . . . A 77 CYS HB3 . 25376 1 333 . 1 1 29 29 CYS CA C 13 56.870 0.400 . 1 . . . A 77 CYS CA . 25376 1 334 . 1 1 29 29 CYS CB C 13 31.698 0.400 . 1 . . . A 77 CYS CB . 25376 1 335 . 1 1 29 29 CYS N N 15 119.360 0.400 . 1 . . . A 77 CYS N . 25376 1 336 . 1 1 30 30 SER H H 1 8.593 0.040 . 1 . . . A 78 SER H . 25376 1 337 . 1 1 30 30 SER HA H 1 4.037 0.040 . 1 . . . A 78 SER HA . 25376 1 338 . 1 1 30 30 SER HB2 H 1 3.934 0.040 . 2 . . . A 78 SER HB2 . 25376 1 339 . 1 1 30 30 SER HB3 H 1 3.934 0.040 . 2 . . . A 78 SER HB3 . 25376 1 340 . 1 1 30 30 SER CA C 13 61.756 0.400 . 1 . . . A 78 SER CA . 25376 1 341 . 1 1 30 30 SER CB C 13 62.254 0.400 . 1 . . . A 78 SER CB . 25376 1 342 . 1 1 30 30 SER N N 15 114.841 0.400 . 1 . . . A 78 SER N . 25376 1 343 . 1 1 31 31 GLY H H 1 8.391 0.040 . 1 . . . A 79 GLY H . 25376 1 344 . 1 1 31 31 GLY HA2 H 1 3.993 0.040 . 2 . . . A 79 GLY HA2 . 25376 1 345 . 1 1 31 31 GLY HA3 H 1 3.852 0.040 . 2 . . . A 79 GLY HA3 . 25376 1 346 . 1 1 31 31 GLY CA C 13 46.777 0.400 . 1 . . . A 79 GLY CA . 25376 1 347 . 1 1 31 31 GLY N N 15 111.904 0.400 . 1 . . . A 79 GLY N . 25376 1 348 . 1 1 32 32 CYS H H 1 9.039 0.040 . 1 . . . A 80 CYS H . 25376 1 349 . 1 1 32 32 CYS HA H 1 3.954 0.040 . 1 . . . A 80 CYS HA . 25376 1 350 . 1 1 32 32 CYS HB2 H 1 2.949 0.040 . 2 . . . A 80 CYS HB2 . 25376 1 351 . 1 1 32 32 CYS HB3 H 1 2.684 0.040 . 2 . . . A 80 CYS HB3 . 25376 1 352 . 1 1 32 32 CYS CA C 13 65.189 0.400 . 1 . . . A 80 CYS CA . 25376 1 353 . 1 1 32 32 CYS CB C 13 28.846 0.400 . 1 . . . A 80 CYS CB . 25376 1 354 . 1 1 32 32 CYS N N 15 126.807 0.400 . 1 . . . A 80 CYS N . 25376 1 355 . 1 1 33 33 LEU H H 1 8.109 0.040 . 1 . . . A 81 LEU H . 25376 1 356 . 1 1 33 33 LEU HA H 1 4.132 0.040 . 1 . . . A 81 LEU HA . 25376 1 357 . 1 1 33 33 LEU HB2 H 1 1.749 0.040 . 2 . . . A 81 LEU HB2 . 25376 1 358 . 1 1 33 33 LEU HB3 H 1 1.532 0.040 . 2 . . . A 81 LEU HB3 . 25376 1 359 . 1 1 33 33 LEU HG H 1 1.573 0.040 . 1 . . . A 81 LEU HG . 25376 1 360 . 1 1 33 33 LEU HD21 H 1 0.702 0.040 . 2 . . . A 81 LEU HD21 . 25376 1 361 . 1 1 33 33 LEU HD22 H 1 0.702 0.040 . 2 . . . A 81 LEU HD22 . 25376 1 362 . 1 1 33 33 LEU HD23 H 1 0.702 0.040 . 2 . . . A 81 LEU HD23 . 25376 1 363 . 1 1 33 33 LEU CA C 13 57.443 0.400 . 1 . . . A 81 LEU CA . 25376 1 364 . 1 1 33 33 LEU CB C 13 41.782 0.400 . 1 . . . A 81 LEU CB . 25376 1 365 . 1 1 33 33 LEU CG C 13 26.846 0.400 . 1 . . . A 81 LEU CG . 25376 1 366 . 1 1 33 33 LEU CD2 C 13 24.538 0.400 . 2 . . . A 81 LEU CD2 . 25376 1 367 . 1 1 33 33 LEU N N 15 120.440 0.400 . 1 . . . A 81 LEU N . 25376 1 368 . 1 1 34 34 GLU H H 1 8.432 0.040 . 1 . . . A 82 GLU H . 25376 1 369 . 1 1 34 34 GLU HA H 1 4.037 0.040 . 1 . . . A 82 GLU HA . 25376 1 370 . 1 1 34 34 GLU HB2 H 1 2.150 0.040 . 2 . . . A 82 GLU HB2 . 25376 1 371 . 1 1 34 34 GLU HB3 H 1 2.081 0.040 . 2 . . . A 82 GLU HB3 . 25376 1 372 . 1 1 34 34 GLU HG2 H 1 2.409 0.040 . 2 . . . A 82 GLU HG2 . 25376 1 373 . 1 1 34 34 GLU HG3 H 1 2.272 0.040 . 2 . . . A 82 GLU HG3 . 25376 1 374 . 1 1 34 34 GLU CA C 13 59.319 0.400 . 1 . . . A 82 GLU CA . 25376 1 375 . 1 1 34 34 GLU CB C 13 28.927 0.400 . 1 . . . A 82 GLU CB . 25376 1 376 . 1 1 34 34 GLU CG C 13 35.797 0.400 . 1 . . . A 82 GLU CG . 25376 1 377 . 1 1 34 34 GLU N N 15 120.149 0.400 . 1 . . . A 82 GLU N . 25376 1 378 . 1 1 35 35 ALA H H 1 7.715 0.040 . 1 . . . A 83 ALA H . 25376 1 379 . 1 1 35 35 ALA HA H 1 4.299 0.040 . 1 . . . A 83 ALA HA . 25376 1 380 . 1 1 35 35 ALA HB1 H 1 1.480 0.040 . 1 . . . A 83 ALA HB1 . 25376 1 381 . 1 1 35 35 ALA HB2 H 1 1.480 0.040 . 1 . . . A 83 ALA HB2 . 25376 1 382 . 1 1 35 35 ALA HB3 H 1 1.480 0.040 . 1 . . . A 83 ALA HB3 . 25376 1 383 . 1 1 35 35 ALA CA C 13 53.543 0.400 . 1 . . . A 83 ALA CA . 25376 1 384 . 1 1 35 35 ALA CB C 13 18.334 0.400 . 1 . . . A 83 ALA CB . 25376 1 385 . 1 1 35 35 ALA N N 15 120.334 0.400 . 1 . . . A 83 ALA N . 25376 1 386 . 1 1 36 36 SER H H 1 7.570 0.040 . 1 . . . A 84 SER H . 25376 1 387 . 1 1 36 36 SER HA H 1 4.494 0.040 . 1 . . . A 84 SER HA . 25376 1 388 . 1 1 36 36 SER HB2 H 1 4.132 0.040 . 2 . . . A 84 SER HB2 . 25376 1 389 . 1 1 36 36 SER HB3 H 1 4.132 0.040 . 2 . . . A 84 SER HB3 . 25376 1 390 . 1 1 36 36 SER CA C 13 58.210 0.400 . 1 . . . A 84 SER CA . 25376 1 391 . 1 1 36 36 SER CB C 13 63.837 0.400 . 1 . . . A 84 SER CB . 25376 1 392 . 1 1 36 36 SER N N 15 112.368 0.400 . 1 . . . A 84 SER N . 25376 1 393 . 1 1 37 37 GLY H H 1 7.955 0.040 . 1 . . . A 85 GLY H . 25376 1 394 . 1 1 37 37 GLY HA2 H 1 3.985 0.040 . 2 . . . A 85 GLY HA2 . 25376 1 395 . 1 1 37 37 GLY HA3 H 1 3.862 0.040 . 2 . . . A 85 GLY HA3 . 25376 1 396 . 1 1 37 37 GLY CA C 13 46.841 0.400 . 1 . . . A 85 GLY CA . 25376 1 397 . 1 1 37 37 GLY N N 15 110.612 0.400 . 1 . . . A 85 GLY N . 25376 1 398 . 1 1 38 38 MET H H 1 8.489 0.040 . 1 . . . A 86 MET H . 25376 1 399 . 1 1 38 38 MET HA H 1 3.804 0.040 . 1 . . . A 86 MET HA . 25376 1 400 . 1 1 38 38 MET HB2 H 1 2.124 0.040 . 2 . . . A 86 MET HB2 . 25376 1 401 . 1 1 38 38 MET HB3 H 1 2.124 0.040 . 2 . . . A 86 MET HB3 . 25376 1 402 . 1 1 38 38 MET HG2 H 1 2.520 0.040 . 2 . . . A 86 MET HG2 . 25376 1 403 . 1 1 38 38 MET HG3 H 1 2.294 0.040 . 2 . . . A 86 MET HG3 . 25376 1 404 . 1 1 38 38 MET CA C 13 55.160 0.400 . 1 . . . A 86 MET CA . 25376 1 405 . 1 1 38 38 MET CB C 13 28.494 0.400 . 1 . . . A 86 MET CB . 25376 1 406 . 1 1 38 38 MET CG C 13 32.087 0.400 . 1 . . . A 86 MET CG . 25376 1 407 . 1 1 38 38 MET N N 15 113.856 0.400 . 1 . . . A 86 MET N . 25376 1 408 . 1 1 39 39 GLN H H 1 7.188 0.040 . 1 . . . A 87 GLN H . 25376 1 409 . 1 1 39 39 GLN HA H 1 4.449 0.040 . 1 . . . A 87 GLN HA . 25376 1 410 . 1 1 39 39 GLN HB2 H 1 1.813 0.040 . 2 . . . A 87 GLN HB2 . 25376 1 411 . 1 1 39 39 GLN HB3 H 1 1.645 0.040 . 2 . . . A 87 GLN HB3 . 25376 1 412 . 1 1 39 39 GLN HG2 H 1 2.071 0.040 . 2 . . . A 87 GLN HG2 . 25376 1 413 . 1 1 39 39 GLN HG3 H 1 2.071 0.040 . 2 . . . A 87 GLN HG3 . 25376 1 414 . 1 1 39 39 GLN HE21 H 1 7.474 0.040 . 2 . . . A 87 GLN HE21 . 25376 1 415 . 1 1 39 39 GLN HE22 H 1 6.727 0.040 . 2 . . . A 87 GLN HE22 . 25376 1 416 . 1 1 39 39 GLN CA C 13 53.404 0.400 . 1 . . . A 87 GLN CA . 25376 1 417 . 1 1 39 39 GLN CB C 13 30.964 0.400 . 1 . . . A 87 GLN CB . 25376 1 418 . 1 1 39 39 GLN CG C 13 33.348 0.400 . 1 . . . A 87 GLN CG . 25376 1 419 . 1 1 39 39 GLN N N 15 116.394 0.400 . 1 . . . A 87 GLN N . 25376 1 420 . 1 1 39 39 GLN NE2 N 15 109.030 0.400 . 1 . . . A 87 GLN NE2 . 25376 1 421 . 1 1 40 40 CYS H H 1 8.616 0.040 . 1 . . . A 88 CYS H . 25376 1 422 . 1 1 40 40 CYS HA H 1 4.300 0.040 . 1 . . . A 88 CYS HA . 25376 1 423 . 1 1 40 40 CYS HB2 H 1 3.028 0.040 . 2 . . . A 88 CYS HB2 . 25376 1 424 . 1 1 40 40 CYS HB3 H 1 3.028 0.040 . 2 . . . A 88 CYS HB3 . 25376 1 425 . 1 1 40 40 CYS CA C 13 57.101 0.400 . 1 . . . A 88 CYS CA . 25376 1 426 . 1 1 40 40 CYS CB C 13 31.117 0.400 . 1 . . . A 88 CYS CB . 25376 1 427 . 1 1 40 40 CYS N N 15 124.484 0.400 . 1 . . . A 88 CYS N . 25376 1 428 . 1 1 41 41 PRO HA H 1 4.509 0.040 . 1 . . . A 89 PRO HA . 25376 1 429 . 1 1 41 41 PRO HB2 H 1 2.290 0.040 . 2 . . . A 89 PRO HB2 . 25376 1 430 . 1 1 41 41 PRO HB3 H 1 1.952 0.040 . 2 . . . A 89 PRO HB3 . 25376 1 431 . 1 1 41 41 PRO HG2 H 1 1.733 0.040 . 2 . . . A 89 PRO HG2 . 25376 1 432 . 1 1 41 41 PRO HG3 H 1 1.733 0.040 . 2 . . . A 89 PRO HG3 . 25376 1 433 . 1 1 41 41 PRO HD2 H 1 3.989 0.040 . 2 . . . A 89 PRO HD2 . 25376 1 434 . 1 1 41 41 PRO HD3 H 1 3.989 0.040 . 2 . . . A 89 PRO HD3 . 25376 1 435 . 1 1 41 41 PRO CA C 13 63.715 0.400 . 1 . . . A 89 PRO CA . 25376 1 436 . 1 1 41 41 PRO CB C 13 31.717 0.400 . 1 . . . A 89 PRO CB . 25376 1 437 . 1 1 41 41 PRO CG C 13 26.928 0.400 . 1 . . . A 89 PRO CG . 25376 1 438 . 1 1 41 41 PRO CD C 13 50.703 0.400 . 1 . . . A 89 PRO CD . 25376 1 439 . 1 1 42 42 ILE H H 1 8.908 0.040 . 1 . . . A 90 ILE H . 25376 1 440 . 1 1 42 42 ILE HA H 1 3.783 0.040 . 1 . . . A 90 ILE HA . 25376 1 441 . 1 1 42 42 ILE HB H 1 1.109 0.040 . 1 . . . A 90 ILE HB . 25376 1 442 . 1 1 42 42 ILE HG12 H 1 1.005 0.040 . 2 . . . A 90 ILE HG12 . 25376 1 443 . 1 1 42 42 ILE HG13 H 1 1.005 0.040 . 2 . . . A 90 ILE HG13 . 25376 1 444 . 1 1 42 42 ILE HG21 H 1 0.318 0.040 . 1 . . . A 90 ILE HG21 . 25376 1 445 . 1 1 42 42 ILE HG22 H 1 0.318 0.040 . 1 . . . A 90 ILE HG22 . 25376 1 446 . 1 1 42 42 ILE HG23 H 1 0.318 0.040 . 1 . . . A 90 ILE HG23 . 25376 1 447 . 1 1 42 42 ILE HD11 H 1 0.386 0.040 . 1 . . . A 90 ILE HD11 . 25376 1 448 . 1 1 42 42 ILE HD12 H 1 0.386 0.040 . 1 . . . A 90 ILE HD12 . 25376 1 449 . 1 1 42 42 ILE HD13 H 1 0.386 0.040 . 1 . . . A 90 ILE HD13 . 25376 1 450 . 1 1 42 42 ILE CA C 13 62.878 0.400 . 1 . . . A 90 ILE CA . 25376 1 451 . 1 1 42 42 ILE CB C 13 37.483 0.400 . 1 . . . A 90 ILE CB . 25376 1 452 . 1 1 42 42 ILE CG1 C 13 27.538 0.400 . 1 . . . A 90 ILE CG1 . 25376 1 453 . 1 1 42 42 ILE CG2 C 13 16.318 0.400 . 1 . . . A 90 ILE CG2 . 25376 1 454 . 1 1 42 42 ILE CD1 C 13 12.097 0.400 . 1 . . . A 90 ILE CD1 . 25376 1 455 . 1 1 42 42 ILE N N 15 123.484 0.400 . 1 . . . A 90 ILE N . 25376 1 456 . 1 1 43 43 CYS H H 1 8.587 0.040 . 1 . . . A 91 CYS H . 25376 1 457 . 1 1 43 43 CYS HA H 1 4.517 0.040 . 1 . . . A 91 CYS HA . 25376 1 458 . 1 1 43 43 CYS HB2 H 1 3.068 0.040 . 2 . . . A 91 CYS HB2 . 25376 1 459 . 1 1 43 43 CYS HB3 H 1 2.855 0.040 . 2 . . . A 91 CYS HB3 . 25376 1 460 . 1 1 43 43 CYS CA C 13 60.891 0.400 . 1 . . . A 91 CYS CA . 25376 1 461 . 1 1 43 43 CYS CB C 13 31.244 0.400 . 1 . . . A 91 CYS CB . 25376 1 462 . 1 1 43 43 CYS N N 15 120.890 0.400 . 1 . . . A 91 CYS N . 25376 1 463 . 1 1 44 44 GLN H H 1 7.787 0.040 . 1 . . . A 92 GLN H . 25376 1 464 . 1 1 44 44 GLN HA H 1 4.132 0.040 . 1 . . . A 92 GLN HA . 25376 1 465 . 1 1 44 44 GLN HB2 H 1 2.159 0.040 . 2 . . . A 92 GLN HB2 . 25376 1 466 . 1 1 44 44 GLN HB3 H 1 2.159 0.040 . 2 . . . A 92 GLN HB3 . 25376 1 467 . 1 1 44 44 GLN HG2 H 1 2.251 0.040 . 2 . . . A 92 GLN HG2 . 25376 1 468 . 1 1 44 44 GLN HG3 H 1 2.251 0.040 . 2 . . . A 92 GLN HG3 . 25376 1 469 . 1 1 44 44 GLN HE21 H 1 7.322 0.040 . 2 . . . A 92 GLN HE21 . 25376 1 470 . 1 1 44 44 GLN HE22 H 1 6.622 0.040 . 2 . . . A 92 GLN HE22 . 25376 1 471 . 1 1 44 44 GLN CA C 13 56.824 0.400 . 1 . . . A 92 GLN CA . 25376 1 472 . 1 1 44 44 GLN CB C 13 27.216 0.400 . 1 . . . A 92 GLN CB . 25376 1 473 . 1 1 44 44 GLN CG C 13 34.023 0.400 . 1 . . . A 92 GLN CG . 25376 1 474 . 1 1 44 44 GLN N N 15 116.563 0.400 . 1 . . . A 92 GLN N . 25376 1 475 . 1 1 44 44 GLN NE2 N 15 111.936 0.400 . 1 . . . A 92 GLN NE2 . 25376 1 476 . 1 1 45 45 ALA H H 1 8.031 0.040 . 1 . . . A 93 ALA H . 25376 1 477 . 1 1 45 45 ALA HA H 1 4.561 0.040 . 1 . . . A 93 ALA HA . 25376 1 478 . 1 1 45 45 ALA HB1 H 1 1.372 0.040 . 1 . . . A 93 ALA HB1 . 25376 1 479 . 1 1 45 45 ALA HB2 H 1 1.372 0.040 . 1 . . . A 93 ALA HB2 . 25376 1 480 . 1 1 45 45 ALA HB3 H 1 1.372 0.040 . 1 . . . A 93 ALA HB3 . 25376 1 481 . 1 1 45 45 ALA CA C 13 50.862 0.400 . 1 . . . A 93 ALA CA . 25376 1 482 . 1 1 45 45 ALA CB C 13 18.415 0.400 . 1 . . . A 93 ALA CB . 25376 1 483 . 1 1 45 45 ALA N N 15 125.273 0.400 . 1 . . . A 93 ALA N . 25376 1 484 . 1 1 46 46 PRO HA H 1 4.538 0.040 . 1 . . . A 94 PRO HA . 25376 1 485 . 1 1 46 46 PRO HB2 H 1 2.181 0.040 . 2 . . . A 94 PRO HB2 . 25376 1 486 . 1 1 46 46 PRO HB3 H 1 2.181 0.040 . 2 . . . A 94 PRO HB3 . 25376 1 487 . 1 1 46 46 PRO HG2 H 1 1.928 0.040 . 2 . . . A 94 PRO HG2 . 25376 1 488 . 1 1 46 46 PRO HG3 H 1 1.928 0.040 . 2 . . . A 94 PRO HG3 . 25376 1 489 . 1 1 46 46 PRO HD2 H 1 3.576 0.040 . 2 . . . A 94 PRO HD2 . 25376 1 490 . 1 1 46 46 PRO HD3 H 1 3.576 0.040 . 2 . . . A 94 PRO HD3 . 25376 1 491 . 1 1 46 46 PRO CA C 13 62.513 0.400 . 1 . . . A 94 PRO CA . 25376 1 492 . 1 1 46 46 PRO CB C 13 31.684 0.400 . 1 . . . A 94 PRO CB . 25376 1 493 . 1 1 46 46 PRO CG C 13 27.087 0.400 . 1 . . . A 94 PRO CG . 25376 1 494 . 1 1 46 46 PRO CD C 13 50.398 0.400 . 1 . . . A 94 PRO CD . 25376 1 495 . 1 1 47 47 TRP H H 1 8.012 0.040 . 1 . . . A 95 TRP H . 25376 1 496 . 1 1 47 47 TRP HA H 1 5.042 0.040 . 1 . . . A 95 TRP HA . 25376 1 497 . 1 1 47 47 TRP HB2 H 1 3.253 0.040 . 2 . . . A 95 TRP HB2 . 25376 1 498 . 1 1 47 47 TRP HB3 H 1 3.144 0.040 . 2 . . . A 95 TRP HB3 . 25376 1 499 . 1 1 47 47 TRP HD1 H 1 7.254 0.040 . 1 . . . A 95 TRP HD1 . 25376 1 500 . 1 1 47 47 TRP HE1 H 1 10.021 0.040 . 1 . . . A 95 TRP HE1 . 25376 1 501 . 1 1 47 47 TRP CA C 13 54.005 0.400 . 1 . . . A 95 TRP CA . 25376 1 502 . 1 1 47 47 TRP CB C 13 28.846 0.400 . 1 . . . A 95 TRP CB . 25376 1 503 . 1 1 47 47 TRP CD1 C 13 129.853 0.400 . 1 . . . A 95 TRP CD1 . 25376 1 504 . 1 1 47 47 TRP N N 15 121.986 0.400 . 1 . . . A 95 TRP N . 25376 1 505 . 1 1 47 47 TRP NE1 N 15 128.963 0.400 . 1 . . . A 95 TRP NE1 . 25376 1 506 . 1 1 48 48 PRO HA H 1 4.49 0.040 . 1 . . . A 96 PRO HA . 25376 1 507 . 1 1 48 48 PRO HB2 H 1 2.247 0.040 . 2 . . . A 96 PRO HB2 . 25376 1 508 . 1 1 48 48 PRO HB3 H 1 1.931 0.040 . 2 . . . A 96 PRO HB3 . 25376 1 509 . 1 1 48 48 PRO HG2 H 1 1.747 0.040 . 2 . . . A 96 PRO HG2 . 25376 1 510 . 1 1 48 48 PRO HG3 H 1 1.747 0.040 . 2 . . . A 96 PRO HG3 . 25376 1 511 . 1 1 48 48 PRO HD2 H 1 3.461 0.040 . 2 . . . A 96 PRO HD2 . 25376 1 512 . 1 1 48 48 PRO HD3 H 1 3.461 0.040 . 2 . . . A 96 PRO HD3 . 25376 1 513 . 1 1 48 48 PRO CA C 13 62.900 0.400 . 1 . . . A 96 PRO CA . 25376 1 514 . 1 1 48 48 PRO CB C 13 31.550 0.400 . 1 . . . A 96 PRO CB . 25376 1 515 . 1 1 48 48 PRO CG C 13 24.487 0.400 . 1 . . . A 96 PRO CG . 25376 1 516 . 1 1 48 48 PRO CD C 13 49.936 0.400 . 1 . . . A 96 PRO CD . 25376 1 517 . 1 1 49 49 LEU H H 1 8.224 0.400 . 1 . . . A 97 LEU H . 25376 1 518 . 1 1 49 49 LEU HA H 1 4.299 0.040 . 1 . . . A 97 LEU HA . 25376 1 519 . 1 1 49 49 LEU HB2 H 1 1.555 0.040 . 2 . . . A 97 LEU HB2 . 25376 1 520 . 1 1 49 49 LEU HB3 H 1 1.555 0.040 . 2 . . . A 97 LEU HB3 . 25376 1 521 . 1 1 49 49 LEU HG H 1 1.612 0.040 . 1 . . . A 97 LEU HG . 25376 1 522 . 1 1 49 49 LEU HD11 H 1 0.914 0.040 . 2 . . . A 97 LEU HD11 . 25376 1 523 . 1 1 49 49 LEU HD12 H 1 0.914 0.040 . 2 . . . A 97 LEU HD12 . 25376 1 524 . 1 1 49 49 LEU HD13 H 1 0.914 0.040 . 2 . . . A 97 LEU HD13 . 25376 1 525 . 1 1 49 49 LEU HD21 H 1 0.867 0.040 . 2 . . . A 97 LEU HD21 . 25376 1 526 . 1 1 49 49 LEU HD22 H 1 0.867 0.040 . 2 . . . A 97 LEU HD22 . 25376 1 527 . 1 1 49 49 LEU HD23 H 1 0.867 0.040 . 2 . . . A 97 LEU HD23 . 25376 1 528 . 1 1 49 49 LEU CA C 13 55.206 0.400 . 1 . . . A 97 LEU CA . 25376 1 529 . 1 1 49 49 LEU CB C 13 42.046 0.400 . 1 . . . A 97 LEU CB . 25376 1 530 . 1 1 49 49 LEU CG C 13 26.879 0.400 . 1 . . . A 97 LEU CG . 25376 1 531 . 1 1 49 49 LEU CD1 C 13 24.652 0.400 . 2 . . . A 97 LEU CD1 . 25376 1 532 . 1 1 49 49 LEU CD2 C 13 23.446 0.400 . 2 . . . A 97 LEU CD2 . 25376 1 533 . 1 1 49 49 LEU N N 15 122.075 0.400 . 1 . . . A 97 LEU N . 25376 1 534 . 1 1 50 50 GLY H H 1 8.444 0.040 . 1 . . . A 98 GLY H . 25376 1 535 . 1 1 50 50 GLY HA2 H 1 3.984 0.040 . 2 . . . A 98 GLY HA2 . 25376 1 536 . 1 1 50 50 GLY HA3 H 1 3.906 0.040 . 2 . . . A 98 GLY HA3 . 25376 1 537 . 1 1 50 50 GLY CA C 13 45.085 0.400 . 1 . . . A 98 GLY CA . 25376 1 538 . 1 1 50 50 GLY N N 15 110.020 0.400 . 1 . . . A 98 GLY N . 25376 1 539 . 1 1 51 51 ALA H H 1 8.176 0.040 . 1 . . . A 99 ALA H . 25376 1 540 . 1 1 51 51 ALA HA H 1 4.299 0.040 . 1 . . . A 99 ALA HA . 25376 1 541 . 1 1 51 51 ALA HB1 H 1 1.351 0.040 . 1 . . . A 99 ALA HB1 . 25376 1 542 . 1 1 51 51 ALA HB2 H 1 1.351 0.040 . 1 . . . A 99 ALA HB2 . 25376 1 543 . 1 1 51 51 ALA HB3 H 1 1.351 0.040 . 1 . . . A 99 ALA HB3 . 25376 1 544 . 1 1 51 51 ALA CA C 13 52.249 0.400 . 1 . . . A 99 ALA CA . 25376 1 545 . 1 1 51 51 ALA CB C 13 18.936 0.400 . 1 . . . A 99 ALA CB . 25376 1 546 . 1 1 51 51 ALA N N 15 123.511 0.400 . 1 . . . A 99 ALA N . 25376 1 547 . 1 1 52 52 ASP H H 1 8.383 0.040 . 1 . . . A 100 ASP H . 25376 1 548 . 1 1 52 52 ASP HA H 1 4.561 0.040 . 1 . . . A 100 ASP HA . 25376 1 549 . 1 1 52 52 ASP HB2 H 1 2.581 0.040 . 2 . . . A 100 ASP HB2 . 25376 1 550 . 1 1 52 52 ASP HB3 H 1 2.581 0.040 . 2 . . . A 100 ASP HB3 . 25376 1 551 . 1 1 52 52 ASP CA C 13 53.912 0.400 . 1 . . . A 100 ASP CA . 25376 1 552 . 1 1 52 52 ASP CB C 13 40.580 0.400 . 1 . . . A 100 ASP CB . 25376 1 553 . 1 1 52 52 ASP N N 15 119.098 0.400 . 1 . . . A 100 ASP N . 25376 1 554 . 1 1 53 53 THR H H 1 8.017 0.040 . 1 . . . A 101 THR H . 25376 1 555 . 1 1 53 53 THR HA H 1 4.517 0.040 . 1 . . . A 101 THR HA . 25376 1 556 . 1 1 53 53 THR HB H 1 4.090 0.040 . 1 . . . A 101 THR HB . 25376 1 557 . 1 1 53 53 THR HG21 H 1 1.190 0.040 . 1 . . . A 101 THR HG21 . 25376 1 558 . 1 1 53 53 THR HG22 H 1 1.190 0.040 . 1 . . . A 101 THR HG22 . 25376 1 559 . 1 1 53 53 THR HG23 H 1 1.190 0.040 . 1 . . . A 101 THR HG23 . 25376 1 560 . 1 1 53 53 THR CA C 13 59.551 0.400 . 1 . . . A 101 THR CA . 25376 1 561 . 1 1 53 53 THR CB C 13 69.589 0.400 . 1 . . . A 101 THR CB . 25376 1 562 . 1 1 53 53 THR CG2 C 13 21.033 0.400 . 1 . . . A 101 THR CG2 . 25376 1 563 . 1 1 53 53 THR N N 15 116.696 0.400 . 1 . . . A 101 THR N . 25376 1 564 . 1 1 54 54 PRO HA H 1 4.336 0.040 . 1 . . . A 102 PRO HA . 25376 1 565 . 1 1 54 54 PRO HB2 H 1 2.258 0.040 . 2 . . . A 102 PRO HB2 . 25376 1 566 . 1 1 54 54 PRO HB3 H 1 2.258 0.040 . 2 . . . A 102 PRO HB3 . 25376 1 567 . 1 1 54 54 PRO HG2 H 1 1.941 0.040 . 2 . . . A 102 PRO HG2 . 25376 1 568 . 1 1 54 54 PRO HG3 H 1 1.941 0.040 . 2 . . . A 102 PRO HG3 . 25376 1 569 . 1 1 54 54 PRO HD2 H 1 3.796 0.040 . 2 . . . A 102 PRO HD2 . 25376 1 570 . 1 1 54 54 PRO HD3 H 1 3.796 0.040 . 2 . . . A 102 PRO HD3 . 25376 1 571 . 1 1 54 54 PRO CA C 13 62.884 0.400 . 1 . . . A 102 PRO CA . 25376 1 572 . 1 1 54 54 PRO CB C 13 31.767 0.400 . 1 . . . A 102 PRO CB . 25376 1 573 . 1 1 54 54 PRO CG C 13 27.092 0.400 . 1 . . . A 102 PRO CG . 25376 1 574 . 1 1 54 54 PRO CD C 13 50.739 0.400 . 1 . . . A 102 PRO CD . 25376 1 575 . 1 1 55 55 ALA H H 1 8.333 0.040 . 1 . . . A 103 ALA H . 25376 1 576 . 1 1 55 55 ALA HA H 1 4.285 0.040 . 1 . . . A 103 ALA HA . 25376 1 577 . 1 1 55 55 ALA HB1 H 1 1.347 0.040 . 1 . . . A 103 ALA HB1 . 25376 1 578 . 1 1 55 55 ALA HB2 H 1 1.347 0.040 . 1 . . . A 103 ALA HB2 . 25376 1 579 . 1 1 55 55 ALA HB3 H 1 1.347 0.040 . 1 . . . A 103 ALA HB3 . 25376 1 580 . 1 1 55 55 ALA CA C 13 52.017 0.400 . 1 . . . A 103 ALA CA . 25376 1 581 . 1 1 55 55 ALA CB C 13 18.974 0.400 . 1 . . . A 103 ALA CB . 25376 1 582 . 1 1 55 55 ALA N N 15 125.184 0.400 . 1 . . . A 103 ALA N . 25376 1 583 . 1 1 56 56 LEU H H 1 7.791 0.040 . 1 . . . A 104 LEU H . 25376 1 584 . 1 1 56 56 LEU HA H 1 4.124 0.040 . 1 . . . A 104 LEU HA . 25376 1 585 . 1 1 56 56 LEU HB2 H 1 1.541 0.040 . 2 . . . A 104 LEU HB2 . 25376 1 586 . 1 1 56 56 LEU HB3 H 1 1.541 0.040 . 2 . . . A 104 LEU HB3 . 25376 1 587 . 1 1 56 56 LEU HG H 1 1.557 0.040 . 1 . . . A 104 LEU HG . 25376 1 588 . 1 1 56 56 LEU HD11 H 1 0.866 0.040 . 2 . . . A 104 LEU HD11 . 25376 1 589 . 1 1 56 56 LEU HD12 H 1 0.866 0.040 . 2 . . . A 104 LEU HD12 . 25376 1 590 . 1 1 56 56 LEU HD13 H 1 0.866 0.040 . 2 . . . A 104 LEU HD13 . 25376 1 591 . 1 1 56 56 LEU HD21 H 1 0.824 0.040 . 2 . . . A 104 LEU HD21 . 25376 1 592 . 1 1 56 56 LEU HD22 H 1 0.824 0.040 . 2 . . . A 104 LEU HD22 . 25376 1 593 . 1 1 56 56 LEU HD23 H 1 0.824 0.040 . 2 . . . A 104 LEU HD23 . 25376 1 594 . 1 1 56 56 LEU CA C 13 56.362 0.400 . 1 . . . A 104 LEU CA . 25376 1 595 . 1 1 56 56 LEU CB C 13 43.177 0.400 . 1 . . . A 104 LEU CB . 25376 1 596 . 1 1 56 56 LEU CG C 13 27.013 0.400 . 1 . . . A 104 LEU CG . 25376 1 597 . 1 1 56 56 LEU CD1 C 13 24.875 0.400 . 2 . . . A 104 LEU CD1 . 25376 1 598 . 1 1 56 56 LEU CD2 C 13 23.421 0.400 . 2 . . . A 104 LEU CD2 . 25376 1 599 . 1 1 56 56 LEU N N 15 127.505 0.400 . 1 . . . A 104 LEU N . 25376 1 stop_ save_