data_11335 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11335 _Entry.Title ; Solution Structure of the RING domain of the human Cell growth regulator with RING finger domain 1 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-10 _Entry.Accession_date 2010-08-10 _Entry.Last_release_date 2011-08-19 _Entry.Original_release_date 2011-08-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 K. Miyamoto . . . 11335 2 T. Tomizawa . . . 11335 3 S. Koshiba . . . 11335 4 S. Watanabe . . . 11335 5 T. Harada . . . 11335 6 T. Kigawa . . . 11335 7 S. Yokoyama . . . 11335 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)' . 11335 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11335 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 245 11335 '15N chemical shifts' 63 11335 '1H chemical shifts' 398 11335 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-08-19 2010-08-10 original author . 11335 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2EA5 'BMRB Entry Tracking System' 11335 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11335 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution Structure of the RING domain of the human Cell growth regulator with RING finger domain 1 protein ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 K. Miyamoto . . . 11335 1 2 T. Tomizawa . . . 11335 1 3 S. Koshiba . . . 11335 1 4 S. Watanabe . . . 11335 1 5 T. Harada . . . 11335 1 6 T. Kigawa . . . 11335 1 7 S. Yokoyama . . . 11335 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11335 _Assembly.ID 1 _Assembly.Name 'Cell growth regulator with RING finger domain protein 1' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'RING domain' 1 $entity_1 A . yes native no no . . . 11335 1 2 'ZINC ION no.1' 2 $ZN B . no native no no . . . 11335 1 3 'ZINC ION no.2' 2 $ZN C . no native no no . . . 11335 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 'RING domain' 1 CYS 18 18 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 18 CYS SG . . . . ZN 11335 1 2 coordination single . 1 'RING domain' 1 CYS 21 21 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 21 CYS SG . . . . ZN 11335 1 3 coordination single . 1 'RING domain' 1 CYS 39 39 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 39 CYS SG . . . . ZN 11335 1 4 coordination single . 1 'RING domain' 1 CYS 42 42 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 42 CYS SG . . . . ZN 11335 1 5 coordination single . 1 'RING domain' 1 CYS 33 33 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 33 CYS SG . . . . ZN 11335 1 6 coordination single . 1 'RING domain' 1 HIS 35 35 ND1 . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 35 HIS ND1 . . . . ZN 11335 1 7 coordination single . 1 'RING domain' 1 CYS 49 49 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 49 CYS SG . . . . ZN 11335 1 8 coordination single . 1 'RING domain' 1 CYS 52 52 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 52 CYS SG . . . . ZN 11335 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 49 49 HG . 49 CYS HG 11335 1 . . 1 1 CYS 52 52 HG . 52 CYS HG 11335 1 . . 1 1 CYS 33 33 HG . 33 CYS HG 11335 1 . . 1 1 HIS 35 35 HD1 . 35 HIS HD1 11335 1 . . 1 1 CYS 39 39 HG . 39 CYS HG 11335 1 . . 1 1 CYS 42 42 HG . 42 CYS HG 11335 1 . . 1 1 CYS 18 18 HG . 18 CYS HG 11335 1 . . 1 1 CYS 21 21 HG . 21 CYS HG 11335 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 2ea5 . . . . . . 11335 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11335 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'RING domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGVEPSEENSKDCVV CQNGTVNWVLLPCRHTCLCD GCVKYFQQCPMCRQFVQESF ALSGPSSG ; _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 68 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2EA5 . "Solution Structure Of The Ring Domain Of The Human Cell Growth Regulator With Ring Finger Domain 1 Protein" . . . . . 100.00 68 100.00 100.00 1.24e-40 . . . . 11335 1 2 no REF XP_003987699 . "PREDICTED: cell growth regulator with RING finger domain protein 1 [Felis catus]" . . . . . 72.06 332 97.96 100.00 7.63e-27 . . . . 11335 1 3 no REF XP_004279384 . "PREDICTED: cell growth regulator with RING finger domain protein 1 [Orcinus orca]" . . . . . 72.06 332 97.96 100.00 1.57e-26 . . . . 11335 1 4 no REF XP_004324763 . "PREDICTED: cell growth regulator with RING finger domain protein 1 [Tursiops truncatus]" . . . . . 72.06 332 97.96 100.00 1.63e-26 . . . . 11335 1 5 no REF XP_005685937 . "PREDICTED: cell growth regulator with RING finger domain protein 1 [Capra hircus]" . . . . . 72.06 330 97.96 100.00 1.10e-26 . . . . 11335 1 6 no REF XP_007062773 . "PREDICTED: microtubule-associated protein futsch-like [Chelonia mydas]" . . . . . 75.00 608 98.04 98.04 5.60e-28 . . . . 11335 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RING domain' . 11335 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 . 11335 1 2 . SER . 11335 1 3 . SER . 11335 1 4 . GLY . 11335 1 5 . SER . 11335 1 6 . SER . 11335 1 7 . GLY . 11335 1 8 . VAL . 11335 1 9 . GLU . 11335 1 10 . PRO . 11335 1 11 . SER . 11335 1 12 . GLU . 11335 1 13 . GLU . 11335 1 14 . ASN . 11335 1 15 . SER . 11335 1 16 . LYS . 11335 1 17 . ASP . 11335 1 18 . CYS . 11335 1 19 . VAL . 11335 1 20 . VAL . 11335 1 21 . CYS . 11335 1 22 . GLN . 11335 1 23 . ASN . 11335 1 24 . GLY . 11335 1 25 . THR . 11335 1 26 . VAL . 11335 1 27 . ASN . 11335 1 28 . TRP . 11335 1 29 . VAL . 11335 1 30 . LEU . 11335 1 31 . LEU . 11335 1 32 . PRO . 11335 1 33 . CYS . 11335 1 34 . ARG . 11335 1 35 . HIS . 11335 1 36 . THR . 11335 1 37 . CYS . 11335 1 38 . LEU . 11335 1 39 . CYS . 11335 1 40 . ASP . 11335 1 41 . GLY . 11335 1 42 . CYS . 11335 1 43 . VAL . 11335 1 44 . LYS . 11335 1 45 . TYR . 11335 1 46 . PHE . 11335 1 47 . GLN . 11335 1 48 . GLN . 11335 1 49 . CYS . 11335 1 50 . PRO . 11335 1 51 . MET . 11335 1 52 . CYS . 11335 1 53 . ARG . 11335 1 54 . GLN . 11335 1 55 . PHE . 11335 1 56 . VAL . 11335 1 57 . GLN . 11335 1 58 . GLU . 11335 1 59 . SER . 11335 1 60 . PHE . 11335 1 61 . ALA . 11335 1 62 . LEU . 11335 1 63 . SER . 11335 1 64 . GLY . 11335 1 65 . PRO . 11335 1 66 . SER . 11335 1 67 . SER . 11335 1 68 . GLY . 11335 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 11335 1 . SER 2 2 11335 1 . SER 3 3 11335 1 . GLY 4 4 11335 1 . SER 5 5 11335 1 . SER 6 6 11335 1 . GLY 7 7 11335 1 . VAL 8 8 11335 1 . GLU 9 9 11335 1 . PRO 10 10 11335 1 . SER 11 11 11335 1 . GLU 12 12 11335 1 . GLU 13 13 11335 1 . ASN 14 14 11335 1 . SER 15 15 11335 1 . LYS 16 16 11335 1 . ASP 17 17 11335 1 . CYS 18 18 11335 1 . VAL 19 19 11335 1 . VAL 20 20 11335 1 . CYS 21 21 11335 1 . GLN 22 22 11335 1 . ASN 23 23 11335 1 . GLY 24 24 11335 1 . THR 25 25 11335 1 . VAL 26 26 11335 1 . ASN 27 27 11335 1 . TRP 28 28 11335 1 . VAL 29 29 11335 1 . LEU 30 30 11335 1 . LEU 31 31 11335 1 . PRO 32 32 11335 1 . CYS 33 33 11335 1 . ARG 34 34 11335 1 . HIS 35 35 11335 1 . THR 36 36 11335 1 . CYS 37 37 11335 1 . LEU 38 38 11335 1 . CYS 39 39 11335 1 . ASP 40 40 11335 1 . GLY 41 41 11335 1 . CYS 42 42 11335 1 . VAL 43 43 11335 1 . LYS 44 44 11335 1 . TYR 45 45 11335 1 . PHE 46 46 11335 1 . GLN 47 47 11335 1 . GLN 48 48 11335 1 . CYS 49 49 11335 1 . PRO 50 50 11335 1 . MET 51 51 11335 1 . CYS 52 52 11335 1 . ARG 53 53 11335 1 . GLN 54 54 11335 1 . PHE 55 55 11335 1 . VAL 56 56 11335 1 . GLN 57 57 11335 1 . GLU 58 58 11335 1 . SER 59 59 11335 1 . PHE 60 60 11335 1 . ALA 61 61 11335 1 . LEU 62 62 11335 1 . SER 63 63 11335 1 . GLY 64 64 11335 1 . PRO 65 65 11335 1 . SER 66 66 11335 1 . SER 67 67 11335 1 . GLY 68 68 11335 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11335 _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 . 11335 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 11335 _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 . . . . . . . . . . . . . . . . . . . . . 11335 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 11335 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P051017-24 . . . . . . 11335 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 11335 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-12-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/Zn/q+2 InChI InChI 1.02b 11335 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11335 ZN [Zn++] SMILES CACTVS 3.341 11335 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11335 ZN [Zn+2] SMILES ACDLabs 10.04 11335 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11335 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11335 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 11335 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11335 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 11335 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11335 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.10mM RING domain {U-13C,15N;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.05mM {ZNCl2;} 1.0mM {IDA;} 90% H2O, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RING domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.10 . . mM . . . . 11335 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11335 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11335 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11335 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11335 1 6 ZnCl2 'natural abundance' . . . . . salt 0.05 . . mM . . . . 11335 1 7 IDA 'natural abundance' . . . . . salt 1.0 . . mM . . . . 11335 1 8 H2O . . . . . . solvent 90 . . % . . . . 11335 1 9 D2O . . . . . . solvent 10 . . % . . . . 11335 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 11335 _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 11335 1 pH 7.0 0.05 pH 11335 1 pressure 1 0.001 atm 11335 1 temperature 296 0.1 K 11335 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 11335 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11335 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11335 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11335 _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.' . . 11335 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11335 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11335 _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.' . . 11335 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11335 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11335 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9820 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11335 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11335 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11335 _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.' . . 11335 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11335 5 'structure solution' 11335 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 11335 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 11335 _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 II' . 900 . . . 11335 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 11335 _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 . . . . . . . . . . . . . . . . 11335 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11335 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 11335 _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 . . . . . . . . . 11335 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11335 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11335 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 11335 _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 11335 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11335 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 $TOPSPIN . . 11335 1 2 $NMRPipe . . 11335 1 3 $NMRView . . 11335 1 4 $Kujira . . 11335 1 5 $CYANA . . 11335 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 H H 1 8.425 0.030 . 1 . . . . 7 GLY H . 11335 1 2 . 1 1 7 7 GLY HA2 H 1 3.991 0.030 . 1 . . . . 7 GLY HA2 . 11335 1 3 . 1 1 7 7 GLY HA3 H 1 3.991 0.030 . 1 . . . . 7 GLY HA3 . 11335 1 4 . 1 1 7 7 GLY C C 13 173.827 0.300 . 1 . . . . 7 GLY C . 11335 1 5 . 1 1 7 7 GLY CA C 13 45.309 0.300 . 1 . . . . 7 GLY CA . 11335 1 6 . 1 1 7 7 GLY N N 15 111.252 0.300 . 1 . . . . 7 GLY N . 11335 1 7 . 1 1 8 8 VAL H H 1 7.951 0.030 . 1 . . . . 8 VAL H . 11335 1 8 . 1 1 8 8 VAL HA H 1 4.172 0.030 . 1 . . . . 8 VAL HA . 11335 1 9 . 1 1 8 8 VAL HB H 1 2.060 0.030 . 1 . . . . 8 VAL HB . 11335 1 10 . 1 1 8 8 VAL HG11 H 1 0.903 0.030 . 1 . . . . 8 VAL HG1 . 11335 1 11 . 1 1 8 8 VAL HG12 H 1 0.903 0.030 . 1 . . . . 8 VAL HG1 . 11335 1 12 . 1 1 8 8 VAL HG13 H 1 0.903 0.030 . 1 . . . . 8 VAL HG1 . 11335 1 13 . 1 1 8 8 VAL HG21 H 1 0.892 0.030 . 1 . . . . 8 VAL HG2 . 11335 1 14 . 1 1 8 8 VAL HG22 H 1 0.892 0.030 . 1 . . . . 8 VAL HG2 . 11335 1 15 . 1 1 8 8 VAL HG23 H 1 0.892 0.030 . 1 . . . . 8 VAL HG2 . 11335 1 16 . 1 1 8 8 VAL C C 13 176.062 0.300 . 1 . . . . 8 VAL C . 11335 1 17 . 1 1 8 8 VAL CA C 13 61.873 0.300 . 1 . . . . 8 VAL CA . 11335 1 18 . 1 1 8 8 VAL CB C 13 32.944 0.300 . 1 . . . . 8 VAL CB . 11335 1 19 . 1 1 8 8 VAL CG1 C 13 21.168 0.300 . 2 . . . . 8 VAL CG1 . 11335 1 20 . 1 1 8 8 VAL CG2 C 13 20.460 0.300 . 2 . . . . 8 VAL CG2 . 11335 1 21 . 1 1 8 8 VAL N N 15 119.183 0.300 . 1 . . . . 8 VAL N . 11335 1 22 . 1 1 9 9 GLU H H 1 8.549 0.030 . 1 . . . . 9 GLU H . 11335 1 23 . 1 1 9 9 GLU HA H 1 4.602 0.030 . 1 . . . . 9 GLU HA . 11335 1 24 . 1 1 9 9 GLU HB2 H 1 2.053 0.030 . 2 . . . . 9 GLU HB2 . 11335 1 25 . 1 1 9 9 GLU HB3 H 1 1.895 0.030 . 2 . . . . 9 GLU HB3 . 11335 1 26 . 1 1 9 9 GLU HG2 H 1 2.305 0.030 . 1 . . . . 9 GLU HG2 . 11335 1 27 . 1 1 9 9 GLU HG3 H 1 2.305 0.030 . 1 . . . . 9 GLU HG3 . 11335 1 28 . 1 1 9 9 GLU C C 13 174.627 0.300 . 1 . . . . 9 GLU C . 11335 1 29 . 1 1 9 9 GLU CA C 13 54.341 0.300 . 1 . . . . 9 GLU CA . 11335 1 30 . 1 1 9 9 GLU CB C 13 29.591 0.300 . 1 . . . . 9 GLU CB . 11335 1 31 . 1 1 9 9 GLU CG C 13 35.991 0.300 . 1 . . . . 9 GLU CG . 11335 1 32 . 1 1 9 9 GLU N N 15 126.678 0.300 . 1 . . . . 9 GLU N . 11335 1 33 . 1 1 10 10 PRO HA H 1 4.446 0.030 . 1 . . . . 10 PRO HA . 11335 1 34 . 1 1 10 10 PRO HB2 H 1 1.952 0.030 . 2 . . . . 10 PRO HB2 . 11335 1 35 . 1 1 10 10 PRO HB3 H 1 2.309 0.030 . 2 . . . . 10 PRO HB3 . 11335 1 36 . 1 1 10 10 PRO HD2 H 1 3.841 0.030 . 2 . . . . 10 PRO HD2 . 11335 1 37 . 1 1 10 10 PRO HD3 H 1 3.730 0.030 . 2 . . . . 10 PRO HD3 . 11335 1 38 . 1 1 10 10 PRO HG2 H 1 2.008 0.030 . 2 . . . . 10 PRO HG2 . 11335 1 39 . 1 1 10 10 PRO HG3 H 1 2.065 0.030 . 2 . . . . 10 PRO HG3 . 11335 1 40 . 1 1 10 10 PRO C C 13 177.587 0.300 . 1 . . . . 10 PRO C . 11335 1 41 . 1 1 10 10 PRO CA C 13 63.370 0.300 . 1 . . . . 10 PRO CA . 11335 1 42 . 1 1 10 10 PRO CB C 13 32.199 0.300 . 1 . . . . 10 PRO CB . 11335 1 43 . 1 1 10 10 PRO CD C 13 50.733 0.300 . 1 . . . . 10 PRO CD . 11335 1 44 . 1 1 10 10 PRO CG C 13 27.384 0.300 . 1 . . . . 10 PRO CG . 11335 1 45 . 1 1 11 11 SER H H 1 8.663 0.030 . 1 . . . . 11 SER H . 11335 1 46 . 1 1 11 11 SER HA H 1 4.460 0.030 . 1 . . . . 11 SER HA . 11335 1 47 . 1 1 11 11 SER HB2 H 1 3.756 0.030 . 2 . . . . 11 SER HB2 . 11335 1 48 . 1 1 11 11 SER HB3 H 1 3.949 0.030 . 2 . . . . 11 SER HB3 . 11335 1 49 . 1 1 11 11 SER C C 13 174.716 0.300 . 1 . . . . 11 SER C . 11335 1 50 . 1 1 11 11 SER CA C 13 58.267 0.300 . 1 . . . . 11 SER CA . 11335 1 51 . 1 1 11 11 SER CB C 13 64.066 0.300 . 1 . . . . 11 SER CB . 11335 1 52 . 1 1 11 11 SER N N 15 116.394 0.300 . 1 . . . . 11 SER N . 11335 1 53 . 1 1 12 12 GLU H H 1 8.523 0.030 . 1 . . . . 12 GLU H . 11335 1 54 . 1 1 12 12 GLU HA H 1 4.318 0.030 . 1 . . . . 12 GLU HA . 11335 1 55 . 1 1 12 12 GLU HB2 H 1 1.957 0.030 . 1 . . . . 12 GLU HB2 . 11335 1 56 . 1 1 12 12 GLU HB3 H 1 1.957 0.030 . 1 . . . . 12 GLU HB3 . 11335 1 57 . 1 1 12 12 GLU HG2 H 1 2.304 0.030 . 1 . . . . 12 GLU HG2 . 11335 1 58 . 1 1 12 12 GLU HG3 H 1 2.304 0.030 . 1 . . . . 12 GLU HG3 . 11335 1 59 . 1 1 12 12 GLU C C 13 176.616 0.300 . 1 . . . . 12 GLU C . 11335 1 60 . 1 1 12 12 GLU CA C 13 56.704 0.300 . 1 . . . . 12 GLU CA . 11335 1 61 . 1 1 12 12 GLU CB C 13 30.202 0.300 . 1 . . . . 12 GLU CB . 11335 1 62 . 1 1 12 12 GLU CG C 13 36.210 0.300 . 1 . . . . 12 GLU CG . 11335 1 63 . 1 1 12 12 GLU N N 15 123.214 0.300 . 1 . . . . 12 GLU N . 11335 1 64 . 1 1 13 13 GLU H H 1 8.423 0.030 . 1 . . . . 13 GLU H . 11335 1 65 . 1 1 13 13 GLU HA H 1 4.257 0.030 . 1 . . . . 13 GLU HA . 11335 1 66 . 1 1 13 13 GLU HB2 H 1 1.922 0.030 . 2 . . . . 13 GLU HB2 . 11335 1 67 . 1 1 13 13 GLU HB3 H 1 2.033 0.030 . 2 . . . . 13 GLU HB3 . 11335 1 68 . 1 1 13 13 GLU HG2 H 1 2.255 0.030 . 1 . . . . 13 GLU HG2 . 11335 1 69 . 1 1 13 13 GLU HG3 H 1 2.255 0.030 . 1 . . . . 13 GLU HG3 . 11335 1 70 . 1 1 13 13 GLU C C 13 176.263 0.300 . 1 . . . . 13 GLU C . 11335 1 71 . 1 1 13 13 GLU CA C 13 56.780 0.300 . 1 . . . . 13 GLU CA . 11335 1 72 . 1 1 13 13 GLU CB C 13 30.271 0.300 . 1 . . . . 13 GLU CB . 11335 1 73 . 1 1 13 13 GLU CG C 13 36.202 0.300 . 1 . . . . 13 GLU CG . 11335 1 74 . 1 1 13 13 GLU N N 15 121.877 0.300 . 1 . . . . 13 GLU N . 11335 1 75 . 1 1 14 14 ASN H H 1 8.393 0.030 . 1 . . . . 14 ASN H . 11335 1 76 . 1 1 14 14 ASN HA H 1 4.784 0.030 . 1 . . . . 14 ASN HA . 11335 1 77 . 1 1 14 14 ASN HB2 H 1 2.858 0.030 . 2 . . . . 14 ASN HB2 . 11335 1 78 . 1 1 14 14 ASN HB3 H 1 2.762 0.030 . 2 . . . . 14 ASN HB3 . 11335 1 79 . 1 1 14 14 ASN HD21 H 1 6.909 0.030 . 2 . . . . 14 ASN HD21 . 11335 1 80 . 1 1 14 14 ASN HD22 H 1 7.603 0.030 . 2 . . . . 14 ASN HD22 . 11335 1 81 . 1 1 14 14 ASN C C 13 175.233 0.300 . 1 . . . . 14 ASN C . 11335 1 82 . 1 1 14 14 ASN CA C 13 53.066 0.300 . 1 . . . . 14 ASN CA . 11335 1 83 . 1 1 14 14 ASN CB C 13 39.248 0.300 . 1 . . . . 14 ASN CB . 11335 1 84 . 1 1 14 14 ASN N N 15 119.940 0.300 . 1 . . . . 14 ASN N . 11335 1 85 . 1 1 14 14 ASN ND2 N 15 112.776 0.300 . 1 . . . . 14 ASN ND2 . 11335 1 86 . 1 1 15 15 SER H H 1 8.365 0.030 . 1 . . . . 15 SER H . 11335 1 87 . 1 1 15 15 SER HA H 1 4.384 0.030 . 1 . . . . 15 SER HA . 11335 1 88 . 1 1 15 15 SER HB2 H 1 3.858 0.030 . 2 . . . . 15 SER HB2 . 11335 1 89 . 1 1 15 15 SER HB3 H 1 3.924 0.030 . 2 . . . . 15 SER HB3 . 11335 1 90 . 1 1 15 15 SER C C 13 174.565 0.300 . 1 . . . . 15 SER C . 11335 1 91 . 1 1 15 15 SER CA C 13 58.823 0.300 . 1 . . . . 15 SER CA . 11335 1 92 . 1 1 15 15 SER CB C 13 63.602 0.300 . 1 . . . . 15 SER CB . 11335 1 93 . 1 1 15 15 SER N N 15 117.161 0.300 . 1 . . . . 15 SER N . 11335 1 94 . 1 1 16 16 LYS H H 1 8.458 0.030 . 1 . . . . 16 LYS H . 11335 1 95 . 1 1 16 16 LYS HA H 1 4.215 0.030 . 1 . . . . 16 LYS HA . 11335 1 96 . 1 1 16 16 LYS HB2 H 1 1.711 0.030 . 2 . . . . 16 LYS HB2 . 11335 1 97 . 1 1 16 16 LYS HB3 H 1 1.877 0.030 . 2 . . . . 16 LYS HB3 . 11335 1 98 . 1 1 16 16 LYS HD2 H 1 1.666 0.030 . 1 . . . . 16 LYS HD2 . 11335 1 99 . 1 1 16 16 LYS HD3 H 1 1.666 0.030 . 1 . . . . 16 LYS HD3 . 11335 1 100 . 1 1 16 16 LYS HE2 H 1 2.997 0.030 . 1 . . . . 16 LYS HE2 . 11335 1 101 . 1 1 16 16 LYS HE3 H 1 2.997 0.030 . 1 . . . . 16 LYS HE3 . 11335 1 102 . 1 1 16 16 LYS HG2 H 1 1.407 0.030 . 2 . . . . 16 LYS HG2 . 11335 1 103 . 1 1 16 16 LYS HG3 H 1 1.304 0.030 . 2 . . . . 16 LYS HG3 . 11335 1 104 . 1 1 16 16 LYS C C 13 175.420 0.300 . 1 . . . . 16 LYS C . 11335 1 105 . 1 1 16 16 LYS CA C 13 56.202 0.300 . 1 . . . . 16 LYS CA . 11335 1 106 . 1 1 16 16 LYS CB C 13 32.179 0.300 . 1 . . . . 16 LYS CB . 11335 1 107 . 1 1 16 16 LYS CD C 13 29.042 0.300 . 1 . . . . 16 LYS CD . 11335 1 108 . 1 1 16 16 LYS CE C 13 42.231 0.300 . 1 . . . . 16 LYS CE . 11335 1 109 . 1 1 16 16 LYS CG C 13 24.967 0.300 . 1 . . . . 16 LYS CG . 11335 1 110 . 1 1 16 16 LYS N N 15 123.097 0.300 . 1 . . . . 16 LYS N . 11335 1 111 . 1 1 17 17 ASP H H 1 8.149 0.030 . 1 . . . . 17 ASP H . 11335 1 112 . 1 1 17 17 ASP HA H 1 4.695 0.030 . 1 . . . . 17 ASP HA . 11335 1 113 . 1 1 17 17 ASP HB2 H 1 2.534 0.030 . 1 . . . . 17 ASP HB2 . 11335 1 114 . 1 1 17 17 ASP HB3 H 1 2.534 0.030 . 1 . . . . 17 ASP HB3 . 11335 1 115 . 1 1 17 17 ASP C C 13 175.579 0.300 . 1 . . . . 17 ASP C . 11335 1 116 . 1 1 17 17 ASP CA C 13 53.619 0.300 . 1 . . . . 17 ASP CA . 11335 1 117 . 1 1 17 17 ASP CB C 13 41.360 0.300 . 1 . . . . 17 ASP CB . 11335 1 118 . 1 1 17 17 ASP N N 15 119.497 0.300 . 1 . . . . 17 ASP N . 11335 1 119 . 1 1 18 18 CYS H H 1 8.327 0.030 . 1 . . . . 18 CYS H . 11335 1 120 . 1 1 18 18 CYS HA H 1 3.873 0.030 . 1 . . . . 18 CYS HA . 11335 1 121 . 1 1 18 18 CYS HB2 H 1 3.144 0.030 . 2 . . . . 18 CYS HB2 . 11335 1 122 . 1 1 18 18 CYS HB3 H 1 2.602 0.030 . 2 . . . . 18 CYS HB3 . 11335 1 123 . 1 1 18 18 CYS C C 13 177.628 0.300 . 1 . . . . 18 CYS C . 11335 1 124 . 1 1 18 18 CYS CA C 13 60.110 0.300 . 1 . . . . 18 CYS CA . 11335 1 125 . 1 1 18 18 CYS CB C 13 31.507 0.300 . 1 . . . . 18 CYS CB . 11335 1 126 . 1 1 18 18 CYS N N 15 124.749 0.300 . 1 . . . . 18 CYS N . 11335 1 127 . 1 1 19 19 VAL H H 1 8.379 0.030 . 1 . . . . 19 VAL H . 11335 1 128 . 1 1 19 19 VAL HA H 1 4.068 0.030 . 1 . . . . 19 VAL HA . 11335 1 129 . 1 1 19 19 VAL HB H 1 2.330 0.030 . 1 . . . . 19 VAL HB . 11335 1 130 . 1 1 19 19 VAL HG11 H 1 1.034 0.030 . 1 . . . . 19 VAL HG1 . 11335 1 131 . 1 1 19 19 VAL HG12 H 1 1.034 0.030 . 1 . . . . 19 VAL HG1 . 11335 1 132 . 1 1 19 19 VAL HG13 H 1 1.034 0.030 . 1 . . . . 19 VAL HG1 . 11335 1 133 . 1 1 19 19 VAL HG21 H 1 0.917 0.030 . 1 . . . . 19 VAL HG2 . 11335 1 134 . 1 1 19 19 VAL HG22 H 1 0.917 0.030 . 1 . . . . 19 VAL HG2 . 11335 1 135 . 1 1 19 19 VAL HG23 H 1 0.917 0.030 . 1 . . . . 19 VAL HG2 . 11335 1 136 . 1 1 19 19 VAL C C 13 175.805 0.300 . 1 . . . . 19 VAL C . 11335 1 137 . 1 1 19 19 VAL CA C 13 63.554 0.300 . 1 . . . . 19 VAL CA . 11335 1 138 . 1 1 19 19 VAL CB C 13 32.091 0.300 . 1 . . . . 19 VAL CB . 11335 1 139 . 1 1 19 19 VAL CG1 C 13 21.405 0.300 . 2 . . . . 19 VAL CG1 . 11335 1 140 . 1 1 19 19 VAL CG2 C 13 20.146 0.300 . 2 . . . . 19 VAL CG2 . 11335 1 141 . 1 1 19 19 VAL N N 15 125.404 0.300 . 1 . . . . 19 VAL N . 11335 1 142 . 1 1 20 20 VAL H H 1 8.578 0.030 . 1 . . . . 20 VAL H . 11335 1 143 . 1 1 20 20 VAL HA H 1 3.910 0.030 . 1 . . . . 20 VAL HA . 11335 1 144 . 1 1 20 20 VAL HB H 1 2.395 0.030 . 1 . . . . 20 VAL HB . 11335 1 145 . 1 1 20 20 VAL HG11 H 1 1.058 0.030 . 1 . . . . 20 VAL HG1 . 11335 1 146 . 1 1 20 20 VAL HG12 H 1 1.058 0.030 . 1 . . . . 20 VAL HG1 . 11335 1 147 . 1 1 20 20 VAL HG13 H 1 1.058 0.030 . 1 . . . . 20 VAL HG1 . 11335 1 148 . 1 1 20 20 VAL HG21 H 1 0.509 0.030 . 1 . . . . 20 VAL HG2 . 11335 1 149 . 1 1 20 20 VAL HG22 H 1 0.509 0.030 . 1 . . . . 20 VAL HG2 . 11335 1 150 . 1 1 20 20 VAL HG23 H 1 0.509 0.030 . 1 . . . . 20 VAL HG2 . 11335 1 151 . 1 1 20 20 VAL C C 13 176.817 0.300 . 1 . . . . 20 VAL C . 11335 1 152 . 1 1 20 20 VAL CA C 13 65.169 0.300 . 1 . . . . 20 VAL CA . 11335 1 153 . 1 1 20 20 VAL CB C 13 31.953 0.300 . 1 . . . . 20 VAL CB . 11335 1 154 . 1 1 20 20 VAL CG1 C 13 21.652 0.300 . 2 . . . . 20 VAL CG1 . 11335 1 155 . 1 1 20 20 VAL CG2 C 13 22.886 0.300 . 2 . . . . 20 VAL CG2 . 11335 1 156 . 1 1 20 20 VAL N N 15 123.779 0.300 . 1 . . . . 20 VAL N . 11335 1 157 . 1 1 21 21 CYS H H 1 7.849 0.030 . 1 . . . . 21 CYS H . 11335 1 158 . 1 1 21 21 CYS HA H 1 4.711 0.030 . 1 . . . . 21 CYS HA . 11335 1 159 . 1 1 21 21 CYS HB2 H 1 3.191 0.030 . 2 . . . . 21 CYS HB2 . 11335 1 160 . 1 1 21 21 CYS HB3 H 1 2.635 0.030 . 2 . . . . 21 CYS HB3 . 11335 1 161 . 1 1 21 21 CYS C C 13 176.238 0.300 . 1 . . . . 21 CYS C . 11335 1 162 . 1 1 21 21 CYS CA C 13 58.902 0.300 . 1 . . . . 21 CYS CA . 11335 1 163 . 1 1 21 21 CYS CB C 13 31.959 0.300 . 1 . . . . 21 CYS CB . 11335 1 164 . 1 1 21 21 CYS N N 15 117.133 0.300 . 1 . . . . 21 CYS N . 11335 1 165 . 1 1 22 22 GLN H H 1 7.713 0.030 . 1 . . . . 22 GLN H . 11335 1 166 . 1 1 22 22 GLN HA H 1 4.145 0.030 . 1 . . . . 22 GLN HA . 11335 1 167 . 1 1 22 22 GLN HB2 H 1 2.269 0.030 . 1 . . . . 22 GLN HB2 . 11335 1 168 . 1 1 22 22 GLN HB3 H 1 2.269 0.030 . 1 . . . . 22 GLN HB3 . 11335 1 169 . 1 1 22 22 GLN HE21 H 1 6.684 0.030 . 2 . . . . 22 GLN HE21 . 11335 1 170 . 1 1 22 22 GLN HE22 H 1 7.376 0.030 . 2 . . . . 22 GLN HE22 . 11335 1 171 . 1 1 22 22 GLN HG2 H 1 2.263 0.030 . 2 . . . . 22 GLN HG2 . 11335 1 172 . 1 1 22 22 GLN HG3 H 1 2.183 0.030 . 2 . . . . 22 GLN HG3 . 11335 1 173 . 1 1 22 22 GLN C C 13 176.101 0.300 . 1 . . . . 22 GLN C . 11335 1 174 . 1 1 22 22 GLN CA C 13 58.243 0.300 . 1 . . . . 22 GLN CA . 11335 1 175 . 1 1 22 22 GLN CB C 13 27.098 0.300 . 1 . . . . 22 GLN CB . 11335 1 176 . 1 1 22 22 GLN CG C 13 34.400 0.300 . 1 . . . . 22 GLN CG . 11335 1 177 . 1 1 22 22 GLN N N 15 118.014 0.300 . 1 . . . . 22 GLN N . 11335 1 178 . 1 1 22 22 GLN NE2 N 15 112.711 0.300 . 1 . . . . 22 GLN NE2 . 11335 1 179 . 1 1 23 23 ASN H H 1 9.014 0.030 . 1 . . . . 23 ASN H . 11335 1 180 . 1 1 23 23 ASN HA H 1 4.967 0.030 . 1 . . . . 23 ASN HA . 11335 1 181 . 1 1 23 23 ASN HB2 H 1 2.854 0.030 . 2 . . . . 23 ASN HB2 . 11335 1 182 . 1 1 23 23 ASN HB3 H 1 2.559 0.030 . 2 . . . . 23 ASN HB3 . 11335 1 183 . 1 1 23 23 ASN HD21 H 1 6.846 0.030 . 2 . . . . 23 ASN HD21 . 11335 1 184 . 1 1 23 23 ASN HD22 H 1 7.684 0.030 . 2 . . . . 23 ASN HD22 . 11335 1 185 . 1 1 23 23 ASN C C 13 174.792 0.300 . 1 . . . . 23 ASN C . 11335 1 186 . 1 1 23 23 ASN CA C 13 53.458 0.300 . 1 . . . . 23 ASN CA . 11335 1 187 . 1 1 23 23 ASN CB C 13 40.316 0.300 . 1 . . . . 23 ASN CB . 11335 1 188 . 1 1 23 23 ASN N N 15 118.385 0.300 . 1 . . . . 23 ASN N . 11335 1 189 . 1 1 23 23 ASN ND2 N 15 112.758 0.300 . 1 . . . . 23 ASN ND2 . 11335 1 190 . 1 1 24 24 GLY H H 1 7.638 0.030 . 1 . . . . 24 GLY H . 11335 1 191 . 1 1 24 24 GLY HA2 H 1 4.336 0.030 . 2 . . . . 24 GLY HA2 . 11335 1 192 . 1 1 24 24 GLY HA3 H 1 3.854 0.030 . 2 . . . . 24 GLY HA3 . 11335 1 193 . 1 1 24 24 GLY C C 13 172.185 0.300 . 1 . . . . 24 GLY C . 11335 1 194 . 1 1 24 24 GLY CA C 13 44.714 0.300 . 1 . . . . 24 GLY CA . 11335 1 195 . 1 1 24 24 GLY N N 15 108.213 0.300 . 1 . . . . 24 GLY N . 11335 1 196 . 1 1 25 25 THR H H 1 8.741 0.030 . 1 . . . . 25 THR H . 11335 1 197 . 1 1 25 25 THR HA H 1 4.599 0.030 . 1 . . . . 25 THR HA . 11335 1 198 . 1 1 25 25 THR HB H 1 3.939 0.030 . 1 . . . . 25 THR HB . 11335 1 199 . 1 1 25 25 THR HG21 H 1 1.289 0.030 . 1 . . . . 25 THR HG2 . 11335 1 200 . 1 1 25 25 THR HG22 H 1 1.289 0.030 . 1 . . . . 25 THR HG2 . 11335 1 201 . 1 1 25 25 THR HG23 H 1 1.289 0.030 . 1 . . . . 25 THR HG2 . 11335 1 202 . 1 1 25 25 THR C C 13 174.928 0.300 . 1 . . . . 25 THR C . 11335 1 203 . 1 1 25 25 THR CA C 13 61.959 0.300 . 1 . . . . 25 THR CA . 11335 1 204 . 1 1 25 25 THR CB C 13 70.066 0.300 . 1 . . . . 25 THR CB . 11335 1 205 . 1 1 25 25 THR CG2 C 13 21.941 0.300 . 1 . . . . 25 THR CG2 . 11335 1 206 . 1 1 25 25 THR N N 15 119.627 0.300 . 1 . . . . 25 THR N . 11335 1 207 . 1 1 26 26 VAL H H 1 8.910 0.030 . 1 . . . . 26 VAL H . 11335 1 208 . 1 1 26 26 VAL HA H 1 3.114 0.030 . 1 . . . . 26 VAL HA . 11335 1 209 . 1 1 26 26 VAL HB H 1 1.809 0.030 . 1 . . . . 26 VAL HB . 11335 1 210 . 1 1 26 26 VAL HG11 H 1 0.825 0.030 . 1 . . . . 26 VAL HG1 . 11335 1 211 . 1 1 26 26 VAL HG12 H 1 0.825 0.030 . 1 . . . . 26 VAL HG1 . 11335 1 212 . 1 1 26 26 VAL HG13 H 1 0.825 0.030 . 1 . . . . 26 VAL HG1 . 11335 1 213 . 1 1 26 26 VAL HG21 H 1 0.725 0.030 . 1 . . . . 26 VAL HG2 . 11335 1 214 . 1 1 26 26 VAL HG22 H 1 0.725 0.030 . 1 . . . . 26 VAL HG2 . 11335 1 215 . 1 1 26 26 VAL HG23 H 1 0.725 0.030 . 1 . . . . 26 VAL HG2 . 11335 1 216 . 1 1 26 26 VAL CA C 13 65.209 0.300 . 1 . . . . 26 VAL CA . 11335 1 217 . 1 1 26 26 VAL CB C 13 31.452 0.300 . 1 . . . . 26 VAL CB . 11335 1 218 . 1 1 26 26 VAL CG1 C 13 21.388 0.300 . 2 . . . . 26 VAL CG1 . 11335 1 219 . 1 1 26 26 VAL CG2 C 13 21.817 0.300 . 2 . . . . 26 VAL CG2 . 11335 1 220 . 1 1 26 26 VAL N N 15 128.029 0.300 . 1 . . . . 26 VAL N . 11335 1 221 . 1 1 27 27 ASN H H 1 8.675 0.030 . 1 . . . . 27 ASN H . 11335 1 222 . 1 1 27 27 ASN HA H 1 5.119 0.030 . 1 . . . . 27 ASN HA . 11335 1 223 . 1 1 27 27 ASN HB2 H 1 2.410 0.030 . 2 . . . . 27 ASN HB2 . 11335 1 224 . 1 1 27 27 ASN HB3 H 1 2.720 0.030 . 2 . . . . 27 ASN HB3 . 11335 1 225 . 1 1 27 27 ASN HD21 H 1 6.729 0.030 . 2 . . . . 27 ASN HD21 . 11335 1 226 . 1 1 27 27 ASN HD22 H 1 8.862 0.030 . 2 . . . . 27 ASN HD22 . 11335 1 227 . 1 1 27 27 ASN C C 13 172.609 0.300 . 1 . . . . 27 ASN C . 11335 1 228 . 1 1 27 27 ASN CA C 13 52.401 0.300 . 1 . . . . 27 ASN CA . 11335 1 229 . 1 1 27 27 ASN CB C 13 42.263 0.300 . 1 . . . . 27 ASN CB . 11335 1 230 . 1 1 27 27 ASN N N 15 121.633 0.300 . 1 . . . . 27 ASN N . 11335 1 231 . 1 1 27 27 ASN ND2 N 15 115.164 0.300 . 1 . . . . 27 ASN ND2 . 11335 1 232 . 1 1 28 28 TRP H H 1 7.151 0.030 . 1 . . . . 28 TRP H . 11335 1 233 . 1 1 28 28 TRP HA H 1 5.008 0.030 . 1 . . . . 28 TRP HA . 11335 1 234 . 1 1 28 28 TRP HB2 H 1 2.711 0.030 . 2 . . . . 28 TRP HB2 . 11335 1 235 . 1 1 28 28 TRP HB3 H 1 2.902 0.030 . 2 . . . . 28 TRP HB3 . 11335 1 236 . 1 1 28 28 TRP HD1 H 1 6.873 0.030 . 1 . . . . 28 TRP HD1 . 11335 1 237 . 1 1 28 28 TRP HE1 H 1 11.837 0.030 . 1 . . . . 28 TRP HE1 . 11335 1 238 . 1 1 28 28 TRP HE3 H 1 7.193 0.030 . 1 . . . . 28 TRP HE3 . 11335 1 239 . 1 1 28 28 TRP HH2 H 1 7.193 0.030 . 1 . . . . 28 TRP HH2 . 11335 1 240 . 1 1 28 28 TRP HZ2 H 1 7.479 0.030 . 1 . . . . 28 TRP HZ2 . 11335 1 241 . 1 1 28 28 TRP HZ3 H 1 6.949 0.030 . 1 . . . . 28 TRP HZ3 . 11335 1 242 . 1 1 28 28 TRP C C 13 174.906 0.300 . 1 . . . . 28 TRP C . 11335 1 243 . 1 1 28 28 TRP CA C 13 56.646 0.300 . 1 . . . . 28 TRP CA . 11335 1 244 . 1 1 28 28 TRP CB C 13 33.117 0.300 . 1 . . . . 28 TRP CB . 11335 1 245 . 1 1 28 28 TRP CD1 C 13 125.951 0.300 . 1 . . . . 28 TRP CD1 . 11335 1 246 . 1 1 28 28 TRP CE3 C 13 119.864 0.300 . 1 . . . . 28 TRP CE3 . 11335 1 247 . 1 1 28 28 TRP CH2 C 13 124.161 0.300 . 1 . . . . 28 TRP CH2 . 11335 1 248 . 1 1 28 28 TRP CZ2 C 13 114.614 0.300 . 1 . . . . 28 TRP CZ2 . 11335 1 249 . 1 1 28 28 TRP CZ3 C 13 121.604 0.300 . 1 . . . . 28 TRP CZ3 . 11335 1 250 . 1 1 28 28 TRP N N 15 116.697 0.300 . 1 . . . . 28 TRP N . 11335 1 251 . 1 1 28 28 TRP NE1 N 15 133.361 0.300 . 1 . . . . 28 TRP NE1 . 11335 1 252 . 1 1 29 29 VAL H H 1 9.248 0.030 . 1 . . . . 29 VAL H . 11335 1 253 . 1 1 29 29 VAL HA H 1 4.164 0.030 . 1 . . . . 29 VAL HA . 11335 1 254 . 1 1 29 29 VAL HB H 1 0.799 0.030 . 1 . . . . 29 VAL HB . 11335 1 255 . 1 1 29 29 VAL HG11 H 1 0.591 0.030 . 1 . . . . 29 VAL HG1 . 11335 1 256 . 1 1 29 29 VAL HG12 H 1 0.591 0.030 . 1 . . . . 29 VAL HG1 . 11335 1 257 . 1 1 29 29 VAL HG13 H 1 0.591 0.030 . 1 . . . . 29 VAL HG1 . 11335 1 258 . 1 1 29 29 VAL HG21 H 1 0.583 0.030 . 1 . . . . 29 VAL HG2 . 11335 1 259 . 1 1 29 29 VAL HG22 H 1 0.583 0.030 . 1 . . . . 29 VAL HG2 . 11335 1 260 . 1 1 29 29 VAL HG23 H 1 0.583 0.030 . 1 . . . . 29 VAL HG2 . 11335 1 261 . 1 1 29 29 VAL C C 13 174.661 0.300 . 1 . . . . 29 VAL C . 11335 1 262 . 1 1 29 29 VAL CA C 13 60.833 0.300 . 1 . . . . 29 VAL CA . 11335 1 263 . 1 1 29 29 VAL CB C 13 32.985 0.300 . 1 . . . . 29 VAL CB . 11335 1 264 . 1 1 29 29 VAL CG1 C 13 20.255 0.300 . 2 . . . . 29 VAL CG1 . 11335 1 265 . 1 1 29 29 VAL CG2 C 13 21.388 0.300 . 2 . . . . 29 VAL CG2 . 11335 1 266 . 1 1 29 29 VAL N N 15 126.501 0.300 . 1 . . . . 29 VAL N . 11335 1 267 . 1 1 30 30 LEU H H 1 7.621 0.030 . 1 . . . . 30 LEU H . 11335 1 268 . 1 1 30 30 LEU HA H 1 4.603 0.030 . 1 . . . . 30 LEU HA . 11335 1 269 . 1 1 30 30 LEU HB2 H 1 2.250 0.030 . 2 . . . . 30 LEU HB2 . 11335 1 270 . 1 1 30 30 LEU HB3 H 1 1.473 0.030 . 2 . . . . 30 LEU HB3 . 11335 1 271 . 1 1 30 30 LEU HD11 H 1 0.856 0.030 . 1 . . . . 30 LEU HD1 . 11335 1 272 . 1 1 30 30 LEU HD12 H 1 0.856 0.030 . 1 . . . . 30 LEU HD1 . 11335 1 273 . 1 1 30 30 LEU HD13 H 1 0.856 0.030 . 1 . . . . 30 LEU HD1 . 11335 1 274 . 1 1 30 30 LEU HD21 H 1 1.021 0.030 . 1 . . . . 30 LEU HD2 . 11335 1 275 . 1 1 30 30 LEU HD22 H 1 1.021 0.030 . 1 . . . . 30 LEU HD2 . 11335 1 276 . 1 1 30 30 LEU HD23 H 1 1.021 0.030 . 1 . . . . 30 LEU HD2 . 11335 1 277 . 1 1 30 30 LEU HG H 1 1.930 0.030 . 1 . . . . 30 LEU HG . 11335 1 278 . 1 1 30 30 LEU C C 13 175.054 0.300 . 1 . . . . 30 LEU C . 11335 1 279 . 1 1 30 30 LEU CA C 13 54.324 0.300 . 1 . . . . 30 LEU CA . 11335 1 280 . 1 1 30 30 LEU CB C 13 41.692 0.300 . 1 . . . . 30 LEU CB . 11335 1 281 . 1 1 30 30 LEU CD1 C 13 21.496 0.300 . 2 . . . . 30 LEU CD1 . 11335 1 282 . 1 1 30 30 LEU CD2 C 13 24.785 0.300 . 2 . . . . 30 LEU CD2 . 11335 1 283 . 1 1 30 30 LEU CG C 13 27.251 0.300 . 1 . . . . 30 LEU CG . 11335 1 284 . 1 1 30 30 LEU N N 15 124.464 0.300 . 1 . . . . 30 LEU N . 11335 1 285 . 1 1 31 31 LEU H H 1 8.930 0.030 . 1 . . . . 31 LEU H . 11335 1 286 . 1 1 31 31 LEU HA H 1 4.768 0.030 . 1 . . . . 31 LEU HA . 11335 1 287 . 1 1 31 31 LEU HB2 H 1 1.776 0.030 . 2 . . . . 31 LEU HB2 . 11335 1 288 . 1 1 31 31 LEU HB3 H 1 1.563 0.030 . 2 . . . . 31 LEU HB3 . 11335 1 289 . 1 1 31 31 LEU HD11 H 1 0.980 0.030 . 1 . . . . 31 LEU HD1 . 11335 1 290 . 1 1 31 31 LEU HD12 H 1 0.980 0.030 . 1 . . . . 31 LEU HD1 . 11335 1 291 . 1 1 31 31 LEU HD13 H 1 0.980 0.030 . 1 . . . . 31 LEU HD1 . 11335 1 292 . 1 1 31 31 LEU HD21 H 1 0.948 0.030 . 1 . . . . 31 LEU HD2 . 11335 1 293 . 1 1 31 31 LEU HD22 H 1 0.948 0.030 . 1 . . . . 31 LEU HD2 . 11335 1 294 . 1 1 31 31 LEU HD23 H 1 0.948 0.030 . 1 . . . . 31 LEU HD2 . 11335 1 295 . 1 1 31 31 LEU HG H 1 1.610 0.030 . 1 . . . . 31 LEU HG . 11335 1 296 . 1 1 31 31 LEU CA C 13 51.677 0.300 . 1 . . . . 31 LEU CA . 11335 1 297 . 1 1 31 31 LEU CB C 13 42.203 0.300 . 1 . . . . 31 LEU CB . 11335 1 298 . 1 1 31 31 LEU CD1 C 13 25.255 0.300 . 2 . . . . 31 LEU CD1 . 11335 1 299 . 1 1 31 31 LEU CD2 C 13 23.905 0.300 . 2 . . . . 31 LEU CD2 . 11335 1 300 . 1 1 31 31 LEU CG C 13 27.158 0.300 . 1 . . . . 31 LEU CG . 11335 1 301 . 1 1 31 31 LEU N N 15 121.060 0.300 . 1 . . . . 31 LEU N . 11335 1 302 . 1 1 32 32 PRO HA H 1 4.480 0.030 . 1 . . . . 32 PRO HA . 11335 1 303 . 1 1 32 32 PRO HB2 H 1 2.394 0.030 . 2 . . . . 32 PRO HB2 . 11335 1 304 . 1 1 32 32 PRO HB3 H 1 2.243 0.030 . 2 . . . . 32 PRO HB3 . 11335 1 305 . 1 1 32 32 PRO HD2 H 1 3.401 0.030 . 2 . . . . 32 PRO HD2 . 11335 1 306 . 1 1 32 32 PRO HD3 H 1 4.143 0.030 . 2 . . . . 32 PRO HD3 . 11335 1 307 . 1 1 32 32 PRO HG2 H 1 1.854 0.030 . 2 . . . . 32 PRO HG2 . 11335 1 308 . 1 1 32 32 PRO HG3 H 1 2.042 0.030 . 2 . . . . 32 PRO HG3 . 11335 1 309 . 1 1 32 32 PRO CA C 13 64.005 0.300 . 1 . . . . 32 PRO CA . 11335 1 310 . 1 1 32 32 PRO CB C 13 35.654 0.300 . 1 . . . . 32 PRO CB . 11335 1 311 . 1 1 32 32 PRO CD C 13 50.680 0.300 . 1 . . . . 32 PRO CD . 11335 1 312 . 1 1 32 32 PRO CG C 13 24.967 0.300 . 1 . . . . 32 PRO CG . 11335 1 313 . 1 1 33 33 CYS H H 1 8.533 0.030 . 1 . . . . 33 CYS H . 11335 1 314 . 1 1 33 33 CYS HA H 1 4.234 0.030 . 1 . . . . 33 CYS HA . 11335 1 315 . 1 1 33 33 CYS HB2 H 1 2.725 0.030 . 2 . . . . 33 CYS HB2 . 11335 1 316 . 1 1 33 33 CYS HB3 H 1 2.787 0.030 . 2 . . . . 33 CYS HB3 . 11335 1 317 . 1 1 33 33 CYS CA C 13 62.442 0.300 . 1 . . . . 33 CYS CA . 11335 1 318 . 1 1 33 33 CYS CB C 13 31.178 0.300 . 1 . . . . 33 CYS CB . 11335 1 319 . 1 1 33 33 CYS N N 15 123.369 0.300 . 1 . . . . 33 CYS N . 11335 1 320 . 1 1 34 34 ARG H H 1 8.880 0.030 . 1 . . . . 34 ARG H . 11335 1 321 . 1 1 34 34 ARG HA H 1 3.887 0.030 . 1 . . . . 34 ARG HA . 11335 1 322 . 1 1 34 34 ARG HB2 H 1 1.342 0.030 . 2 . . . . 34 ARG HB2 . 11335 1 323 . 1 1 34 34 ARG HB3 H 1 1.650 0.030 . 2 . . . . 34 ARG HB3 . 11335 1 324 . 1 1 34 34 ARG HD2 H 1 3.122 0.030 . 2 . . . . 34 ARG HD2 . 11335 1 325 . 1 1 34 34 ARG HD3 H 1 3.185 0.030 . 2 . . . . 34 ARG HD3 . 11335 1 326 . 1 1 34 34 ARG HG2 H 1 2.054 0.030 . 2 . . . . 34 ARG HG2 . 11335 1 327 . 1 1 34 34 ARG HG3 H 1 2.010 0.030 . 2 . . . . 34 ARG HG3 . 11335 1 328 . 1 1 34 34 ARG CA C 13 58.672 0.300 . 1 . . . . 34 ARG CA . 11335 1 329 . 1 1 34 34 ARG CB C 13 29.352 0.300 . 1 . . . . 34 ARG CB . 11335 1 330 . 1 1 34 34 ARG CD C 13 43.338 0.300 . 1 . . . . 34 ARG CD . 11335 1 331 . 1 1 34 34 ARG CG C 13 26.703 0.300 . 1 . . . . 34 ARG CG . 11335 1 332 . 1 1 34 34 ARG N N 15 116.213 0.300 . 1 . . . . 34 ARG N . 11335 1 333 . 1 1 35 35 HIS H H 1 8.724 0.030 . 1 . . . . 35 HIS H . 11335 1 334 . 1 1 35 35 HIS HA H 1 4.621 0.030 . 1 . . . . 35 HIS HA . 11335 1 335 . 1 1 35 35 HIS HB2 H 1 3.070 0.030 . 2 . . . . 35 HIS HB2 . 11335 1 336 . 1 1 35 35 HIS HB3 H 1 3.627 0.030 . 2 . . . . 35 HIS HB3 . 11335 1 337 . 1 1 35 35 HIS HD2 H 1 7.343 0.030 . 1 . . . . 35 HIS HD2 . 11335 1 338 . 1 1 35 35 HIS HE1 H 1 7.826 0.030 . 1 . . . . 35 HIS HE1 . 11335 1 339 . 1 1 35 35 HIS CA C 13 61.230 0.300 . 1 . . . . 35 HIS CA . 11335 1 340 . 1 1 35 35 HIS CB C 13 30.948 0.300 . 1 . . . . 35 HIS CB . 11335 1 341 . 1 1 35 35 HIS CD2 C 13 119.184 0.300 . 1 . . . . 35 HIS CD2 . 11335 1 342 . 1 1 35 35 HIS CE1 C 13 137.766 0.300 . 1 . . . . 35 HIS CE1 . 11335 1 343 . 1 1 35 35 HIS N N 15 122.455 0.300 . 1 . . . . 35 HIS N . 11335 1 344 . 1 1 36 36 THR H H 1 9.172 0.030 . 1 . . . . 36 THR H . 11335 1 345 . 1 1 36 36 THR HA H 1 5.133 0.030 . 1 . . . . 36 THR HA . 11335 1 346 . 1 1 36 36 THR HB H 1 4.102 0.030 . 1 . . . . 36 THR HB . 11335 1 347 . 1 1 36 36 THR HG21 H 1 1.094 0.030 . 1 . . . . 36 THR HG2 . 11335 1 348 . 1 1 36 36 THR HG22 H 1 1.094 0.030 . 1 . . . . 36 THR HG2 . 11335 1 349 . 1 1 36 36 THR HG23 H 1 1.094 0.030 . 1 . . . . 36 THR HG2 . 11335 1 350 . 1 1 36 36 THR CA C 13 59.435 0.300 . 1 . . . . 36 THR CA . 11335 1 351 . 1 1 36 36 THR CB C 13 69.504 0.300 . 1 . . . . 36 THR CB . 11335 1 352 . 1 1 36 36 THR CG2 C 13 20.825 0.300 . 1 . . . . 36 THR CG2 . 11335 1 353 . 1 1 36 36 THR N N 15 120.061 0.300 . 1 . . . . 36 THR N . 11335 1 354 . 1 1 37 37 CYS H H 1 9.235 0.030 . 1 . . . . 37 CYS H . 11335 1 355 . 1 1 37 37 CYS HA H 1 5.122 0.030 . 1 . . . . 37 CYS HA . 11335 1 356 . 1 1 37 37 CYS HB2 H 1 2.915 0.030 . 2 . . . . 37 CYS HB2 . 11335 1 357 . 1 1 37 37 CYS HB3 H 1 3.228 0.030 . 2 . . . . 37 CYS HB3 . 11335 1 358 . 1 1 37 37 CYS C C 13 171.830 0.300 . 1 . . . . 37 CYS C . 11335 1 359 . 1 1 37 37 CYS CA C 13 56.916 0.300 . 1 . . . . 37 CYS CA . 11335 1 360 . 1 1 37 37 CYS CB C 13 30.559 0.300 . 1 . . . . 37 CYS CB . 11335 1 361 . 1 1 37 37 CYS N N 15 119.726 0.300 . 1 . . . . 37 CYS N . 11335 1 362 . 1 1 38 38 LEU H H 1 7.375 0.030 . 1 . . . . 38 LEU H . 11335 1 363 . 1 1 38 38 LEU HA H 1 6.093 0.030 . 1 . . . . 38 LEU HA . 11335 1 364 . 1 1 38 38 LEU HB2 H 1 1.773 0.030 . 2 . . . . 38 LEU HB2 . 11335 1 365 . 1 1 38 38 LEU HB3 H 1 1.353 0.030 . 2 . . . . 38 LEU HB3 . 11335 1 366 . 1 1 38 38 LEU HD11 H 1 0.654 0.030 . 1 . . . . 38 LEU HD1 . 11335 1 367 . 1 1 38 38 LEU HD12 H 1 0.654 0.030 . 1 . . . . 38 LEU HD1 . 11335 1 368 . 1 1 38 38 LEU HD13 H 1 0.654 0.030 . 1 . . . . 38 LEU HD1 . 11335 1 369 . 1 1 38 38 LEU HD21 H 1 0.790 0.030 . 1 . . . . 38 LEU HD2 . 11335 1 370 . 1 1 38 38 LEU HD22 H 1 0.790 0.030 . 1 . . . . 38 LEU HD2 . 11335 1 371 . 1 1 38 38 LEU HD23 H 1 0.790 0.030 . 1 . . . . 38 LEU HD2 . 11335 1 372 . 1 1 38 38 LEU HG H 1 1.755 0.030 . 1 . . . . 38 LEU HG . 11335 1 373 . 1 1 38 38 LEU C C 13 176.853 0.300 . 1 . . . . 38 LEU C . 11335 1 374 . 1 1 38 38 LEU CA C 13 54.152 0.300 . 1 . . . . 38 LEU CA . 11335 1 375 . 1 1 38 38 LEU CB C 13 47.134 0.300 . 1 . . . . 38 LEU CB . 11335 1 376 . 1 1 38 38 LEU CD1 C 13 25.571 0.300 . 2 . . . . 38 LEU CD1 . 11335 1 377 . 1 1 38 38 LEU CD2 C 13 27.726 0.300 . 2 . . . . 38 LEU CD2 . 11335 1 378 . 1 1 38 38 LEU CG C 13 26.722 0.300 . 1 . . . . 38 LEU CG . 11335 1 379 . 1 1 38 38 LEU N N 15 122.111 0.300 . 1 . . . . 38 LEU N . 11335 1 380 . 1 1 39 39 CYS H H 1 8.731 0.030 . 1 . . . . 39 CYS H . 11335 1 381 . 1 1 39 39 CYS HA H 1 5.307 0.030 . 1 . . . . 39 CYS HA . 11335 1 382 . 1 1 39 39 CYS HB2 H 1 3.594 0.030 . 2 . . . . 39 CYS HB2 . 11335 1 383 . 1 1 39 39 CYS HB3 H 1 2.488 0.030 . 2 . . . . 39 CYS HB3 . 11335 1 384 . 1 1 39 39 CYS C C 13 174.749 0.300 . 1 . . . . 39 CYS C . 11335 1 385 . 1 1 39 39 CYS CA C 13 56.978 0.300 . 1 . . . . 39 CYS CA . 11335 1 386 . 1 1 39 39 CYS CB C 13 33.935 0.300 . 1 . . . . 39 CYS CB . 11335 1 387 . 1 1 39 39 CYS N N 15 122.258 0.300 . 1 . . . . 39 CYS N . 11335 1 388 . 1 1 40 40 ASP H H 1 9.198 0.030 . 1 . . . . 40 ASP H . 11335 1 389 . 1 1 40 40 ASP HA H 1 4.703 0.030 . 1 . . . . 40 ASP HA . 11335 1 390 . 1 1 40 40 ASP HB2 H 1 2.934 0.030 . 2 . . . . 40 ASP HB2 . 11335 1 391 . 1 1 40 40 ASP HB3 H 1 2.778 0.030 . 2 . . . . 40 ASP HB3 . 11335 1 392 . 1 1 40 40 ASP C C 13 177.968 0.300 . 1 . . . . 40 ASP C . 11335 1 393 . 1 1 40 40 ASP CA C 13 57.155 0.300 . 1 . . . . 40 ASP CA . 11335 1 394 . 1 1 40 40 ASP CB C 13 41.925 0.300 . 1 . . . . 40 ASP CB . 11335 1 395 . 1 1 40 40 ASP N N 15 116.896 0.300 . 1 . . . . 40 ASP N . 11335 1 396 . 1 1 41 41 GLY H H 1 8.810 0.030 . 1 . . . . 41 GLY H . 11335 1 397 . 1 1 41 41 GLY HA2 H 1 4.035 0.030 . 1 . . . . 41 GLY HA2 . 11335 1 398 . 1 1 41 41 GLY HA3 H 1 4.035 0.030 . 1 . . . . 41 GLY HA3 . 11335 1 399 . 1 1 41 41 GLY C C 13 176.114 0.300 . 1 . . . . 41 GLY C . 11335 1 400 . 1 1 41 41 GLY CA C 13 46.043 0.300 . 1 . . . . 41 GLY CA . 11335 1 401 . 1 1 41 41 GLY N N 15 110.323 0.300 . 1 . . . . 41 GLY N . 11335 1 402 . 1 1 42 42 CYS H H 1 8.202 0.030 . 1 . . . . 42 CYS H . 11335 1 403 . 1 1 42 42 CYS HA H 1 4.431 0.030 . 1 . . . . 42 CYS HA . 11335 1 404 . 1 1 42 42 CYS HB2 H 1 3.180 0.030 . 2 . . . . 42 CYS HB2 . 11335 1 405 . 1 1 42 42 CYS HB3 H 1 2.803 0.030 . 2 . . . . 42 CYS HB3 . 11335 1 406 . 1 1 42 42 CYS C C 13 178.162 0.300 . 1 . . . . 42 CYS C . 11335 1 407 . 1 1 42 42 CYS CA C 13 63.030 0.300 . 1 . . . . 42 CYS CA . 11335 1 408 . 1 1 42 42 CYS CB C 13 32.502 0.300 . 1 . . . . 42 CYS CB . 11335 1 409 . 1 1 42 42 CYS N N 15 123.574 0.300 . 1 . . . . 42 CYS N . 11335 1 410 . 1 1 43 43 VAL H H 1 7.814 0.030 . 1 . . . . 43 VAL H . 11335 1 411 . 1 1 43 43 VAL HA H 1 3.868 0.030 . 1 . . . . 43 VAL HA . 11335 1 412 . 1 1 43 43 VAL HB H 1 1.601 0.030 . 1 . . . . 43 VAL HB . 11335 1 413 . 1 1 43 43 VAL HG11 H 1 -0.303 0.030 . 1 . . . . 43 VAL HG1 . 11335 1 414 . 1 1 43 43 VAL HG12 H 1 -0.303 0.030 . 1 . . . . 43 VAL HG1 . 11335 1 415 . 1 1 43 43 VAL HG13 H 1 -0.303 0.030 . 1 . . . . 43 VAL HG1 . 11335 1 416 . 1 1 43 43 VAL HG21 H 1 0.342 0.030 . 1 . . . . 43 VAL HG2 . 11335 1 417 . 1 1 43 43 VAL HG22 H 1 0.342 0.030 . 1 . . . . 43 VAL HG2 . 11335 1 418 . 1 1 43 43 VAL HG23 H 1 0.342 0.030 . 1 . . . . 43 VAL HG2 . 11335 1 419 . 1 1 43 43 VAL C C 13 175.586 0.300 . 1 . . . . 43 VAL C . 11335 1 420 . 1 1 43 43 VAL CA C 13 65.360 0.300 . 1 . . . . 43 VAL CA . 11335 1 421 . 1 1 43 43 VAL CB C 13 30.898 0.300 . 1 . . . . 43 VAL CB . 11335 1 422 . 1 1 43 43 VAL CG1 C 13 17.167 0.300 . 2 . . . . 43 VAL CG1 . 11335 1 423 . 1 1 43 43 VAL CG2 C 13 20.089 0.300 . 2 . . . . 43 VAL CG2 . 11335 1 424 . 1 1 43 43 VAL N N 15 117.294 0.300 . 1 . . . . 43 VAL N . 11335 1 425 . 1 1 44 44 LYS H H 1 7.185 0.030 . 1 . . . . 44 LYS H . 11335 1 426 . 1 1 44 44 LYS HA H 1 3.875 0.030 . 1 . . . . 44 LYS HA . 11335 1 427 . 1 1 44 44 LYS HB2 H 1 1.399 0.030 . 2 . . . . 44 LYS HB2 . 11335 1 428 . 1 1 44 44 LYS HB3 H 1 1.312 0.030 . 2 . . . . 44 LYS HB3 . 11335 1 429 . 1 1 44 44 LYS HD2 H 1 1.419 0.030 . 1 . . . . 44 LYS HD2 . 11335 1 430 . 1 1 44 44 LYS HD3 H 1 1.419 0.030 . 1 . . . . 44 LYS HD3 . 11335 1 431 . 1 1 44 44 LYS HE2 H 1 2.785 0.030 . 2 . . . . 44 LYS HE2 . 11335 1 432 . 1 1 44 44 LYS HE3 H 1 2.828 0.030 . 2 . . . . 44 LYS HE3 . 11335 1 433 . 1 1 44 44 LYS HG2 H 1 0.827 0.030 . 2 . . . . 44 LYS HG2 . 11335 1 434 . 1 1 44 44 LYS HG3 H 1 0.972 0.030 . 2 . . . . 44 LYS HG3 . 11335 1 435 . 1 1 44 44 LYS C C 13 177.362 0.300 . 1 . . . . 44 LYS C . 11335 1 436 . 1 1 44 44 LYS CA C 13 57.278 0.300 . 1 . . . . 44 LYS CA . 11335 1 437 . 1 1 44 44 LYS CB C 13 31.528 0.300 . 1 . . . . 44 LYS CB . 11335 1 438 . 1 1 44 44 LYS CD C 13 28.808 0.300 . 1 . . . . 44 LYS CD . 11335 1 439 . 1 1 44 44 LYS CE C 13 41.944 0.300 . 1 . . . . 44 LYS CE . 11335 1 440 . 1 1 44 44 LYS CG C 13 24.134 0.300 . 1 . . . . 44 LYS CG . 11335 1 441 . 1 1 44 44 LYS N N 15 117.080 0.300 . 1 . . . . 44 LYS N . 11335 1 442 . 1 1 45 45 TYR H H 1 7.625 0.030 . 1 . . . . 45 TYR H . 11335 1 443 . 1 1 45 45 TYR HA H 1 4.364 0.030 . 1 . . . . 45 TYR HA . 11335 1 444 . 1 1 45 45 TYR HB2 H 1 2.943 0.030 . 2 . . . . 45 TYR HB2 . 11335 1 445 . 1 1 45 45 TYR HB3 H 1 2.671 0.030 . 2 . . . . 45 TYR HB3 . 11335 1 446 . 1 1 45 45 TYR HD1 H 1 7.124 0.030 . 1 . . . . 45 TYR HD1 . 11335 1 447 . 1 1 45 45 TYR HD2 H 1 7.124 0.030 . 1 . . . . 45 TYR HD2 . 11335 1 448 . 1 1 45 45 TYR HE1 H 1 6.856 0.030 . 1 . . . . 45 TYR HE1 . 11335 1 449 . 1 1 45 45 TYR HE2 H 1 6.856 0.030 . 1 . . . . 45 TYR HE2 . 11335 1 450 . 1 1 45 45 TYR C C 13 175.280 0.300 . 1 . . . . 45 TYR C . 11335 1 451 . 1 1 45 45 TYR CA C 13 58.460 0.300 . 1 . . . . 45 TYR CA . 11335 1 452 . 1 1 45 45 TYR CB C 13 38.414 0.300 . 1 . . . . 45 TYR CB . 11335 1 453 . 1 1 45 45 TYR CD1 C 13 132.941 0.300 . 1 . . . . 45 TYR CD1 . 11335 1 454 . 1 1 45 45 TYR CD2 C 13 132.941 0.300 . 1 . . . . 45 TYR CD2 . 11335 1 455 . 1 1 45 45 TYR CE1 C 13 118.458 0.300 . 1 . . . . 45 TYR CE1 . 11335 1 456 . 1 1 45 45 TYR CE2 C 13 118.458 0.300 . 1 . . . . 45 TYR CE2 . 11335 1 457 . 1 1 45 45 TYR N N 15 115.632 0.300 . 1 . . . . 45 TYR N . 11335 1 458 . 1 1 46 46 PHE H H 1 7.020 0.030 . 1 . . . . 46 PHE H . 11335 1 459 . 1 1 46 46 PHE HA H 1 4.443 0.030 . 1 . . . . 46 PHE HA . 11335 1 460 . 1 1 46 46 PHE HB2 H 1 2.555 0.030 . 2 . . . . 46 PHE HB2 . 11335 1 461 . 1 1 46 46 PHE HB3 H 1 3.178 0.030 . 2 . . . . 46 PHE HB3 . 11335 1 462 . 1 1 46 46 PHE HD1 H 1 7.540 0.030 . 1 . . . . 46 PHE HD1 . 11335 1 463 . 1 1 46 46 PHE HD2 H 1 7.540 0.030 . 1 . . . . 46 PHE HD2 . 11335 1 464 . 1 1 46 46 PHE HE1 H 1 7.294 0.030 . 1 . . . . 46 PHE HE1 . 11335 1 465 . 1 1 46 46 PHE HE2 H 1 7.294 0.030 . 1 . . . . 46 PHE HE2 . 11335 1 466 . 1 1 46 46 PHE HZ H 1 7.272 0.030 . 1 . . . . 46 PHE HZ . 11335 1 467 . 1 1 46 46 PHE C C 13 174.744 0.300 . 1 . . . . 46 PHE C . 11335 1 468 . 1 1 46 46 PHE CA C 13 59.427 0.300 . 1 . . . . 46 PHE CA . 11335 1 469 . 1 1 46 46 PHE CB C 13 40.160 0.300 . 1 . . . . 46 PHE CB . 11335 1 470 . 1 1 46 46 PHE CD1 C 13 132.315 0.300 . 1 . . . . 46 PHE CD1 . 11335 1 471 . 1 1 46 46 PHE CD2 C 13 132.315 0.300 . 1 . . . . 46 PHE CD2 . 11335 1 472 . 1 1 46 46 PHE CE1 C 13 131.331 0.300 . 1 . . . . 46 PHE CE1 . 11335 1 473 . 1 1 46 46 PHE CE2 C 13 131.331 0.300 . 1 . . . . 46 PHE CE2 . 11335 1 474 . 1 1 46 46 PHE CZ C 13 129.823 0.300 . 1 . . . . 46 PHE CZ . 11335 1 475 . 1 1 46 46 PHE N N 15 117.383 0.300 . 1 . . . . 46 PHE N . 11335 1 476 . 1 1 47 47 GLN H H 1 8.627 0.030 . 1 . . . . 47 GLN H . 11335 1 477 . 1 1 47 47 GLN HA H 1 4.345 0.030 . 1 . . . . 47 GLN HA . 11335 1 478 . 1 1 47 47 GLN HB2 H 1 2.267 0.030 . 2 . . . . 47 GLN HB2 . 11335 1 479 . 1 1 47 47 GLN HB3 H 1 2.007 0.030 . 2 . . . . 47 GLN HB3 . 11335 1 480 . 1 1 47 47 GLN HE21 H 1 6.728 0.030 . 2 . . . . 47 GLN HE21 . 11335 1 481 . 1 1 47 47 GLN HE22 H 1 7.528 0.030 . 2 . . . . 47 GLN HE22 . 11335 1 482 . 1 1 47 47 GLN HG2 H 1 2.411 0.030 . 2 . . . . 47 GLN HG2 . 11335 1 483 . 1 1 47 47 GLN HG3 H 1 2.374 0.030 . 2 . . . . 47 GLN HG3 . 11335 1 484 . 1 1 47 47 GLN CA C 13 56.180 0.300 . 1 . . . . 47 GLN CA . 11335 1 485 . 1 1 47 47 GLN CB C 13 29.778 0.300 . 1 . . . . 47 GLN CB . 11335 1 486 . 1 1 47 47 GLN CG C 13 34.912 0.300 . 1 . . . . 47 GLN CG . 11335 1 487 . 1 1 47 47 GLN NE2 N 15 112.923 0.300 . 1 . . . . 47 GLN NE2 . 11335 1 488 . 1 1 48 48 GLN H H 1 7.673 0.030 . 1 . . . . 48 GLN H . 11335 1 489 . 1 1 48 48 GLN HA H 1 4.773 0.030 . 1 . . . . 48 GLN HA . 11335 1 490 . 1 1 48 48 GLN HB2 H 1 1.532 0.030 . 2 . . . . 48 GLN HB2 . 11335 1 491 . 1 1 48 48 GLN HB3 H 1 1.746 0.030 . 2 . . . . 48 GLN HB3 . 11335 1 492 . 1 1 48 48 GLN HE21 H 1 6.941 0.030 . 2 . . . . 48 GLN HE21 . 11335 1 493 . 1 1 48 48 GLN HE22 H 1 7.389 0.030 . 2 . . . . 48 GLN HE22 . 11335 1 494 . 1 1 48 48 GLN HG2 H 1 1.874 0.030 . 1 . . . . 48 GLN HG2 . 11335 1 495 . 1 1 48 48 GLN HG3 H 1 1.874 0.030 . 1 . . . . 48 GLN HG3 . 11335 1 496 . 1 1 48 48 GLN CA C 13 53.560 0.300 . 1 . . . . 48 GLN CA . 11335 1 497 . 1 1 48 48 GLN CB C 13 32.647 0.300 . 1 . . . . 48 GLN CB . 11335 1 498 . 1 1 48 48 GLN CG C 13 34.786 0.300 . 1 . . . . 48 GLN CG . 11335 1 499 . 1 1 48 48 GLN N N 15 116.616 0.300 . 1 . . . . 48 GLN N . 11335 1 500 . 1 1 48 48 GLN NE2 N 15 111.392 0.300 . 1 . . . . 48 GLN NE2 . 11335 1 501 . 1 1 49 49 CYS H H 1 8.687 0.030 . 1 . . . . 49 CYS H . 11335 1 502 . 1 1 49 49 CYS HA H 1 4.084 0.030 . 1 . . . . 49 CYS HA . 11335 1 503 . 1 1 49 49 CYS HB2 H 1 2.847 0.030 . 2 . . . . 49 CYS HB2 . 11335 1 504 . 1 1 49 49 CYS HB3 H 1 3.220 0.030 . 2 . . . . 49 CYS HB3 . 11335 1 505 . 1 1 49 49 CYS CA C 13 56.346 0.300 . 1 . . . . 49 CYS CA . 11335 1 506 . 1 1 49 49 CYS CB C 13 31.888 0.300 . 1 . . . . 49 CYS CB . 11335 1 507 . 1 1 49 49 CYS N N 15 125.520 0.300 . 1 . . . . 49 CYS N . 11335 1 508 . 1 1 50 50 PRO HA H 1 4.381 0.030 . 1 . . . . 50 PRO HA . 11335 1 509 . 1 1 50 50 PRO HB2 H 1 1.854 0.030 . 2 . . . . 50 PRO HB2 . 11335 1 510 . 1 1 50 50 PRO HB3 H 1 1.601 0.030 . 2 . . . . 50 PRO HB3 . 11335 1 511 . 1 1 50 50 PRO HD2 H 1 3.762 0.030 . 2 . . . . 50 PRO HD2 . 11335 1 512 . 1 1 50 50 PRO HD3 H 1 3.401 0.030 . 2 . . . . 50 PRO HD3 . 11335 1 513 . 1 1 50 50 PRO HG2 H 1 1.477 0.030 . 2 . . . . 50 PRO HG2 . 11335 1 514 . 1 1 50 50 PRO HG3 H 1 1.101 0.030 . 2 . . . . 50 PRO HG3 . 11335 1 515 . 1 1 50 50 PRO C C 13 176.991 0.300 . 1 . . . . 50 PRO C . 11335 1 516 . 1 1 50 50 PRO CA C 13 64.317 0.300 . 1 . . . . 50 PRO CA . 11335 1 517 . 1 1 50 50 PRO CB C 13 31.570 0.300 . 1 . . . . 50 PRO CB . 11335 1 518 . 1 1 50 50 PRO CD C 13 50.381 0.300 . 1 . . . . 50 PRO CD . 11335 1 519 . 1 1 50 50 PRO CG C 13 26.988 0.300 . 1 . . . . 50 PRO CG . 11335 1 520 . 1 1 51 51 MET H H 1 9.236 0.030 . 1 . . . . 51 MET H . 11335 1 521 . 1 1 51 51 MET HA H 1 4.319 0.030 . 1 . . . . 51 MET HA . 11335 1 522 . 1 1 51 51 MET HB2 H 1 1.572 0.030 . 2 . . . . 51 MET HB2 . 11335 1 523 . 1 1 51 51 MET HB3 H 1 1.281 0.030 . 2 . . . . 51 MET HB3 . 11335 1 524 . 1 1 51 51 MET HE1 H 1 1.864 0.030 . 1 . . . . 51 MET HE . 11335 1 525 . 1 1 51 51 MET HE2 H 1 1.864 0.030 . 1 . . . . 51 MET HE . 11335 1 526 . 1 1 51 51 MET HE3 H 1 1.864 0.030 . 1 . . . . 51 MET HE . 11335 1 527 . 1 1 51 51 MET HG2 H 1 2.332 0.030 . 1 . . . . 51 MET HG2 . 11335 1 528 . 1 1 51 51 MET HG3 H 1 2.332 0.030 . 1 . . . . 51 MET HG3 . 11335 1 529 . 1 1 51 51 MET C C 13 177.153 0.300 . 1 . . . . 51 MET C . 11335 1 530 . 1 1 51 51 MET CA C 13 57.459 0.300 . 1 . . . . 51 MET CA . 11335 1 531 . 1 1 51 51 MET CB C 13 32.484 0.300 . 1 . . . . 51 MET CB . 11335 1 532 . 1 1 51 51 MET CE C 13 16.182 0.300 . 1 . . . . 51 MET CE . 11335 1 533 . 1 1 51 51 MET CG C 13 31.825 0.300 . 1 . . . . 51 MET CG . 11335 1 534 . 1 1 51 51 MET N N 15 119.736 0.300 . 1 . . . . 51 MET N . 11335 1 535 . 1 1 52 52 CYS H H 1 8.368 0.030 . 1 . . . . 52 CYS H . 11335 1 536 . 1 1 52 52 CYS HA H 1 5.012 0.030 . 1 . . . . 52 CYS HA . 11335 1 537 . 1 1 52 52 CYS HB2 H 1 3.458 0.030 . 2 . . . . 52 CYS HB2 . 11335 1 538 . 1 1 52 52 CYS HB3 H 1 2.714 0.030 . 2 . . . . 52 CYS HB3 . 11335 1 539 . 1 1 52 52 CYS C C 13 175.883 0.300 . 1 . . . . 52 CYS C . 11335 1 540 . 1 1 52 52 CYS CA C 13 58.427 0.300 . 1 . . . . 52 CYS CA . 11335 1 541 . 1 1 52 52 CYS CB C 13 32.963 0.300 . 1 . . . . 52 CYS CB . 11335 1 542 . 1 1 52 52 CYS N N 15 118.839 0.300 . 1 . . . . 52 CYS N . 11335 1 543 . 1 1 53 53 ARG H H 1 8.209 0.030 . 1 . . . . 53 ARG H . 11335 1 544 . 1 1 53 53 ARG HA H 1 4.040 0.030 . 1 . . . . 53 ARG HA . 11335 1 545 . 1 1 53 53 ARG HB2 H 1 2.193 0.030 . 2 . . . . 53 ARG HB2 . 11335 1 546 . 1 1 53 53 ARG HB3 H 1 2.009 0.030 . 2 . . . . 53 ARG HB3 . 11335 1 547 . 1 1 53 53 ARG HD2 H 1 3.167 0.030 . 2 . . . . 53 ARG HD2 . 11335 1 548 . 1 1 53 53 ARG HD3 H 1 3.097 0.030 . 2 . . . . 53 ARG HD3 . 11335 1 549 . 1 1 53 53 ARG HG2 H 1 1.550 0.030 . 2 . . . . 53 ARG HG2 . 11335 1 550 . 1 1 53 53 ARG HG3 H 1 1.482 0.030 . 2 . . . . 53 ARG HG3 . 11335 1 551 . 1 1 53 53 ARG C C 13 175.154 0.300 . 1 . . . . 53 ARG C . 11335 1 552 . 1 1 53 53 ARG CA C 13 58.104 0.300 . 1 . . . . 53 ARG CA . 11335 1 553 . 1 1 53 53 ARG CB C 13 26.869 0.300 . 1 . . . . 53 ARG CB . 11335 1 554 . 1 1 53 53 ARG CD C 13 42.617 0.300 . 1 . . . . 53 ARG CD . 11335 1 555 . 1 1 53 53 ARG CG C 13 27.254 0.300 . 1 . . . . 53 ARG CG . 11335 1 556 . 1 1 53 53 ARG N N 15 117.722 0.300 . 1 . . . . 53 ARG N . 11335 1 557 . 1 1 54 54 GLN H H 1 8.395 0.030 . 1 . . . . 54 GLN H . 11335 1 558 . 1 1 54 54 GLN HA H 1 4.368 0.030 . 1 . . . . 54 GLN HA . 11335 1 559 . 1 1 54 54 GLN HB2 H 1 2.168 0.030 . 1 . . . . 54 GLN HB2 . 11335 1 560 . 1 1 54 54 GLN HB3 H 1 2.168 0.030 . 1 . . . . 54 GLN HB3 . 11335 1 561 . 1 1 54 54 GLN HE21 H 1 7.757 0.030 . 2 . . . . 54 GLN HE21 . 11335 1 562 . 1 1 54 54 GLN HE22 H 1 7.030 0.030 . 2 . . . . 54 GLN HE22 . 11335 1 563 . 1 1 54 54 GLN HG2 H 1 2.767 0.030 . 2 . . . . 54 GLN HG2 . 11335 1 564 . 1 1 54 54 GLN HG3 H 1 2.516 0.030 . 2 . . . . 54 GLN HG3 . 11335 1 565 . 1 1 54 54 GLN C C 13 176.579 0.300 . 1 . . . . 54 GLN C . 11335 1 566 . 1 1 54 54 GLN CA C 13 56.983 0.300 . 1 . . . . 54 GLN CA . 11335 1 567 . 1 1 54 54 GLN CB C 13 29.909 0.300 . 1 . . . . 54 GLN CB . 11335 1 568 . 1 1 54 54 GLN CG C 13 35.305 0.300 . 1 . . . . 54 GLN CG . 11335 1 569 . 1 1 54 54 GLN N N 15 121.392 0.300 . 1 . . . . 54 GLN N . 11335 1 570 . 1 1 54 54 GLN NE2 N 15 114.027 0.300 . 1 . . . . 54 GLN NE2 . 11335 1 571 . 1 1 55 55 PHE H H 1 8.853 0.030 . 1 . . . . 55 PHE H . 11335 1 572 . 1 1 55 55 PHE HA H 1 4.507 0.030 . 1 . . . . 55 PHE HA . 11335 1 573 . 1 1 55 55 PHE HB2 H 1 3.195 0.030 . 2 . . . . 55 PHE HB2 . 11335 1 574 . 1 1 55 55 PHE HB3 H 1 3.049 0.030 . 2 . . . . 55 PHE HB3 . 11335 1 575 . 1 1 55 55 PHE HD1 H 1 7.299 0.030 . 1 . . . . 55 PHE HD1 . 11335 1 576 . 1 1 55 55 PHE HD2 H 1 7.299 0.030 . 1 . . . . 55 PHE HD2 . 11335 1 577 . 1 1 55 55 PHE HE1 H 1 7.362 0.030 . 1 . . . . 55 PHE HE1 . 11335 1 578 . 1 1 55 55 PHE HE2 H 1 7.362 0.030 . 1 . . . . 55 PHE HE2 . 11335 1 579 . 1 1 55 55 PHE HZ H 1 7.299 0.030 . 1 . . . . 55 PHE HZ . 11335 1 580 . 1 1 55 55 PHE C C 13 175.940 0.300 . 1 . . . . 55 PHE C . 11335 1 581 . 1 1 55 55 PHE CA C 13 59.930 0.300 . 1 . . . . 55 PHE CA . 11335 1 582 . 1 1 55 55 PHE CB C 13 39.157 0.300 . 1 . . . . 55 PHE CB . 11335 1 583 . 1 1 55 55 PHE CD1 C 13 131.816 0.300 . 1 . . . . 55 PHE CD1 . 11335 1 584 . 1 1 55 55 PHE CD2 C 13 131.816 0.300 . 1 . . . . 55 PHE CD2 . 11335 1 585 . 1 1 55 55 PHE CE1 C 13 131.554 0.300 . 1 . . . . 55 PHE CE1 . 11335 1 586 . 1 1 55 55 PHE CE2 C 13 131.554 0.300 . 1 . . . . 55 PHE CE2 . 11335 1 587 . 1 1 55 55 PHE CZ C 13 130.181 0.300 . 1 . . . . 55 PHE CZ . 11335 1 588 . 1 1 55 55 PHE N N 15 123.736 0.300 . 1 . . . . 55 PHE N . 11335 1 589 . 1 1 56 56 VAL H H 1 7.989 0.030 . 1 . . . . 56 VAL H . 11335 1 590 . 1 1 56 56 VAL HA H 1 4.055 0.030 . 1 . . . . 56 VAL HA . 11335 1 591 . 1 1 56 56 VAL HB H 1 1.784 0.030 . 1 . . . . 56 VAL HB . 11335 1 592 . 1 1 56 56 VAL HG11 H 1 0.926 0.030 . 1 . . . . 56 VAL HG1 . 11335 1 593 . 1 1 56 56 VAL HG12 H 1 0.926 0.030 . 1 . . . . 56 VAL HG1 . 11335 1 594 . 1 1 56 56 VAL HG13 H 1 0.926 0.030 . 1 . . . . 56 VAL HG1 . 11335 1 595 . 1 1 56 56 VAL HG21 H 1 0.780 0.030 . 1 . . . . 56 VAL HG2 . 11335 1 596 . 1 1 56 56 VAL HG22 H 1 0.780 0.030 . 1 . . . . 56 VAL HG2 . 11335 1 597 . 1 1 56 56 VAL HG23 H 1 0.780 0.030 . 1 . . . . 56 VAL HG2 . 11335 1 598 . 1 1 56 56 VAL C C 13 175.447 0.300 . 1 . . . . 56 VAL C . 11335 1 599 . 1 1 56 56 VAL CA C 13 62.442 0.300 . 1 . . . . 56 VAL CA . 11335 1 600 . 1 1 56 56 VAL CB C 13 32.493 0.300 . 1 . . . . 56 VAL CB . 11335 1 601 . 1 1 56 56 VAL CG1 C 13 22.265 0.300 . 2 . . . . 56 VAL CG1 . 11335 1 602 . 1 1 56 56 VAL CG2 C 13 22.084 0.300 . 2 . . . . 56 VAL CG2 . 11335 1 603 . 1 1 56 56 VAL N N 15 127.404 0.300 . 1 . . . . 56 VAL N . 11335 1 604 . 1 1 57 57 GLN H H 1 9.368 0.030 . 1 . . . . 57 GLN H . 11335 1 605 . 1 1 57 57 GLN HA H 1 4.272 0.030 . 1 . . . . 57 GLN HA . 11335 1 606 . 1 1 57 57 GLN HB2 H 1 2.194 0.030 . 2 . . . . 57 GLN HB2 . 11335 1 607 . 1 1 57 57 GLN HB3 H 1 2.020 0.030 . 2 . . . . 57 GLN HB3 . 11335 1 608 . 1 1 57 57 GLN HE21 H 1 6.954 0.030 . 2 . . . . 57 GLN HE21 . 11335 1 609 . 1 1 57 57 GLN HE22 H 1 7.775 0.030 . 2 . . . . 57 GLN HE22 . 11335 1 610 . 1 1 57 57 GLN HG2 H 1 2.522 0.030 . 1 . . . . 57 GLN HG2 . 11335 1 611 . 1 1 57 57 GLN HG3 H 1 2.522 0.030 . 1 . . . . 57 GLN HG3 . 11335 1 612 . 1 1 57 57 GLN C C 13 176.303 0.300 . 1 . . . . 57 GLN C . 11335 1 613 . 1 1 57 57 GLN CA C 13 57.391 0.300 . 1 . . . . 57 GLN CA . 11335 1 614 . 1 1 57 57 GLN CB C 13 30.086 0.300 . 1 . . . . 57 GLN CB . 11335 1 615 . 1 1 57 57 GLN CG C 13 34.071 0.300 . 1 . . . . 57 GLN CG . 11335 1 616 . 1 1 57 57 GLN N N 15 128.971 0.300 . 1 . . . . 57 GLN N . 11335 1 617 . 1 1 57 57 GLN NE2 N 15 112.445 0.300 . 1 . . . . 57 GLN NE2 . 11335 1 618 . 1 1 58 58 GLU H H 1 7.966 0.030 . 1 . . . . 58 GLU H . 11335 1 619 . 1 1 58 58 GLU HA H 1 4.629 0.030 . 1 . . . . 58 GLU HA . 11335 1 620 . 1 1 58 58 GLU HB2 H 1 2.156 0.030 . 2 . . . . 58 GLU HB2 . 11335 1 621 . 1 1 58 58 GLU HB3 H 1 2.099 0.030 . 2 . . . . 58 GLU HB3 . 11335 1 622 . 1 1 58 58 GLU HG2 H 1 2.217 0.030 . 1 . . . . 58 GLU HG2 . 11335 1 623 . 1 1 58 58 GLU HG3 H 1 2.217 0.030 . 1 . . . . 58 GLU HG3 . 11335 1 624 . 1 1 58 58 GLU C C 13 172.324 0.300 . 1 . . . . 58 GLU C . 11335 1 625 . 1 1 58 58 GLU CA C 13 55.120 0.300 . 1 . . . . 58 GLU CA . 11335 1 626 . 1 1 58 58 GLU CB C 13 33.353 0.300 . 1 . . . . 58 GLU CB . 11335 1 627 . 1 1 58 58 GLU CG C 13 36.322 0.300 . 1 . . . . 58 GLU CG . 11335 1 628 . 1 1 58 58 GLU N N 15 115.812 0.300 . 1 . . . . 58 GLU N . 11335 1 629 . 1 1 59 59 SER H H 1 8.453 0.030 . 1 . . . . 59 SER H . 11335 1 630 . 1 1 59 59 SER HA H 1 5.506 0.030 . 1 . . . . 59 SER HA . 11335 1 631 . 1 1 59 59 SER HB2 H 1 3.939 0.030 . 2 . . . . 59 SER HB2 . 11335 1 632 . 1 1 59 59 SER HB3 H 1 3.896 0.030 . 2 . . . . 59 SER HB3 . 11335 1 633 . 1 1 59 59 SER C C 13 173.481 0.300 . 1 . . . . 59 SER C . 11335 1 634 . 1 1 59 59 SER CA C 13 57.101 0.300 . 1 . . . . 59 SER CA . 11335 1 635 . 1 1 59 59 SER CB C 13 66.527 0.300 . 1 . . . . 59 SER CB . 11335 1 636 . 1 1 59 59 SER N N 15 113.318 0.300 . 1 . . . . 59 SER N . 11335 1 637 . 1 1 60 60 PHE H H 1 8.582 0.030 . 1 . . . . 60 PHE H . 11335 1 638 . 1 1 60 60 PHE HA H 1 5.175 0.030 . 1 . . . . 60 PHE HA . 11335 1 639 . 1 1 60 60 PHE HB2 H 1 2.998 0.030 . 2 . . . . 60 PHE HB2 . 11335 1 640 . 1 1 60 60 PHE HB3 H 1 3.121 0.030 . 2 . . . . 60 PHE HB3 . 11335 1 641 . 1 1 60 60 PHE HD1 H 1 7.033 0.030 . 1 . . . . 60 PHE HD1 . 11335 1 642 . 1 1 60 60 PHE HD2 H 1 7.033 0.030 . 1 . . . . 60 PHE HD2 . 11335 1 643 . 1 1 60 60 PHE HE1 H 1 7.178 0.030 . 1 . . . . 60 PHE HE1 . 11335 1 644 . 1 1 60 60 PHE HE2 H 1 7.178 0.030 . 1 . . . . 60 PHE HE2 . 11335 1 645 . 1 1 60 60 PHE HZ H 1 7.216 0.030 . 1 . . . . 60 PHE HZ . 11335 1 646 . 1 1 60 60 PHE C C 13 172.472 0.300 . 1 . . . . 60 PHE C . 11335 1 647 . 1 1 60 60 PHE CA C 13 56.603 0.300 . 1 . . . . 60 PHE CA . 11335 1 648 . 1 1 60 60 PHE CB C 13 42.000 0.300 . 1 . . . . 60 PHE CB . 11335 1 649 . 1 1 60 60 PHE CD1 C 13 132.347 0.300 . 1 . . . . 60 PHE CD1 . 11335 1 650 . 1 1 60 60 PHE CD2 C 13 132.347 0.300 . 1 . . . . 60 PHE CD2 . 11335 1 651 . 1 1 60 60 PHE CE1 C 13 130.948 0.300 . 1 . . . . 60 PHE CE1 . 11335 1 652 . 1 1 60 60 PHE CE2 C 13 130.948 0.300 . 1 . . . . 60 PHE CE2 . 11335 1 653 . 1 1 60 60 PHE CZ C 13 129.684 0.300 . 1 . . . . 60 PHE CZ . 11335 1 654 . 1 1 60 60 PHE N N 15 116.972 0.300 . 1 . . . . 60 PHE N . 11335 1 655 . 1 1 61 61 ALA H H 1 8.140 0.030 . 1 . . . . 61 ALA H . 11335 1 656 . 1 1 61 61 ALA HA H 1 3.836 0.030 . 1 . . . . 61 ALA HA . 11335 1 657 . 1 1 61 61 ALA HB1 H 1 0.431 0.030 . 1 . . . . 61 ALA HB . 11335 1 658 . 1 1 61 61 ALA HB2 H 1 0.431 0.030 . 1 . . . . 61 ALA HB . 11335 1 659 . 1 1 61 61 ALA HB3 H 1 0.431 0.030 . 1 . . . . 61 ALA HB . 11335 1 660 . 1 1 61 61 ALA C C 13 179.198 0.300 . 1 . . . . 61 ALA C . 11335 1 661 . 1 1 61 61 ALA CA C 13 50.165 0.300 . 1 . . . . 61 ALA CA . 11335 1 662 . 1 1 61 61 ALA CB C 13 19.057 0.300 . 1 . . . . 61 ALA CB . 11335 1 663 . 1 1 61 61 ALA N N 15 125.120 0.300 . 1 . . . . 61 ALA N . 11335 1 664 . 1 1 62 62 LEU H H 1 7.792 0.030 . 1 . . . . 62 LEU H . 11335 1 665 . 1 1 62 62 LEU HA H 1 4.032 0.030 . 1 . . . . 62 LEU HA . 11335 1 666 . 1 1 62 62 LEU HB2 H 1 1.660 0.030 . 2 . . . . 62 LEU HB2 . 11335 1 667 . 1 1 62 62 LEU HB3 H 1 1.398 0.030 . 2 . . . . 62 LEU HB3 . 11335 1 668 . 1 1 62 62 LEU HD11 H 1 0.697 0.030 . 1 . . . . 62 LEU HD1 . 11335 1 669 . 1 1 62 62 LEU HD12 H 1 0.697 0.030 . 1 . . . . 62 LEU HD1 . 11335 1 670 . 1 1 62 62 LEU HD13 H 1 0.697 0.030 . 1 . . . . 62 LEU HD1 . 11335 1 671 . 1 1 62 62 LEU HD21 H 1 0.723 0.030 . 1 . . . . 62 LEU HD2 . 11335 1 672 . 1 1 62 62 LEU HD22 H 1 0.723 0.030 . 1 . . . . 62 LEU HD2 . 11335 1 673 . 1 1 62 62 LEU HD23 H 1 0.723 0.030 . 1 . . . . 62 LEU HD2 . 11335 1 674 . 1 1 62 62 LEU HG H 1 1.142 0.030 . 1 . . . . 62 LEU HG . 11335 1 675 . 1 1 62 62 LEU C C 13 177.626 0.300 . 1 . . . . 62 LEU C . 11335 1 676 . 1 1 62 62 LEU CA C 13 55.907 0.300 . 1 . . . . 62 LEU CA . 11335 1 677 . 1 1 62 62 LEU CB C 13 42.107 0.300 . 1 . . . . 62 LEU CB . 11335 1 678 . 1 1 62 62 LEU CD1 C 13 25.271 0.300 . 2 . . . . 62 LEU CD1 . 11335 1 679 . 1 1 62 62 LEU CD2 C 13 23.010 0.300 . 2 . . . . 62 LEU CD2 . 11335 1 680 . 1 1 62 62 LEU CG C 13 27.012 0.300 . 1 . . . . 62 LEU CG . 11335 1 681 . 1 1 62 62 LEU N N 15 121.396 0.300 . 1 . . . . 62 LEU N . 11335 1 682 . 1 1 63 63 SER H H 1 7.869 0.030 . 1 . . . . 63 SER H . 11335 1 683 . 1 1 63 63 SER HA H 1 4.514 0.030 . 1 . . . . 63 SER HA . 11335 1 684 . 1 1 63 63 SER HB2 H 1 3.838 0.030 . 1 . . . . 63 SER HB2 . 11335 1 685 . 1 1 63 63 SER HB3 H 1 3.838 0.030 . 1 . . . . 63 SER HB3 . 11335 1 686 . 1 1 63 63 SER C C 13 174.261 0.300 . 1 . . . . 63 SER C . 11335 1 687 . 1 1 63 63 SER CA C 13 57.507 0.300 . 1 . . . . 63 SER CA . 11335 1 688 . 1 1 63 63 SER CB C 13 64.480 0.300 . 1 . . . . 63 SER CB . 11335 1 689 . 1 1 63 63 SER N N 15 113.157 0.300 . 1 . . . . 63 SER N . 11335 1 690 . 1 1 64 64 GLY H H 1 8.227 0.030 . 1 . . . . 64 GLY H . 11335 1 691 . 1 1 64 64 GLY HA2 H 1 4.163 0.030 . 2 . . . . 64 GLY HA2 . 11335 1 692 . 1 1 64 64 GLY HA3 H 1 4.115 0.030 . 2 . . . . 64 GLY HA3 . 11335 1 693 . 1 1 64 64 GLY C C 13 172.129 0.300 . 1 . . . . 64 GLY C . 11335 1 694 . 1 1 64 64 GLY CA C 13 44.771 0.300 . 1 . . . . 64 GLY CA . 11335 1 695 . 1 1 64 64 GLY N N 15 110.335 0.300 . 1 . . . . 64 GLY N . 11335 1 696 . 1 1 65 65 PRO HA H 1 4.476 0.030 . 1 . . . . 65 PRO HA . 11335 1 697 . 1 1 65 65 PRO HB2 H 1 2.341 0.030 . 1 . . . . 65 PRO HB2 . 11335 1 698 . 1 1 65 65 PRO HB3 H 1 2.341 0.030 . 1 . . . . 65 PRO HB3 . 11335 1 699 . 1 1 65 65 PRO HD2 H 1 3.650 0.030 . 1 . . . . 65 PRO HD2 . 11335 1 700 . 1 1 65 65 PRO HD3 H 1 3.650 0.030 . 1 . . . . 65 PRO HD3 . 11335 1 701 . 1 1 65 65 PRO HG2 H 1 2.011 0.030 . 1 . . . . 65 PRO HG2 . 11335 1 702 . 1 1 65 65 PRO HG3 H 1 2.011 0.030 . 1 . . . . 65 PRO HG3 . 11335 1 703 . 1 1 65 65 PRO CA C 13 63.602 0.300 . 1 . . . . 65 PRO CA . 11335 1 704 . 1 1 65 65 PRO CB C 13 32.366 0.300 . 1 . . . . 65 PRO CB . 11335 1 705 . 1 1 65 65 PRO CD C 13 49.833 0.300 . 1 . . . . 65 PRO CD . 11335 1 706 . 1 1 65 65 PRO CG C 13 27.159 0.300 . 1 . . . . 65 PRO CG . 11335 1 stop_ save_