data_11319 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11319 _Entry.Title ; Solution Structure of the zinc finger BED domain of the zinc finger BED domain containing protein 1 ; _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 . . . 11319 2 T. Tomizawa . . . 11319 3 S. Koshiba . . . 11319 4 M. Inoue . . . 11319 5 T. Kigawa . . . 11319 6 S. Yokoyama . . . 11319 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)' . 11319 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11319 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 290 11319 '15N chemical shifts' 66 11319 '1H chemical shifts' 433 11319 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 . 11319 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2CT5 'BMRB Entry Tracking System' 11319 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11319 _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 zinc finger BED domain of the zinc finger BED domain containing protein 1 ; _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 . . . 11319 1 2 T. Tomizawa . . . 11319 1 3 S. Koshiba . . . 11319 1 4 M. Inoue . . . 11319 1 5 T. Kigawa . . . 11319 1 6 S. Yokoyama . . . 11319 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11319 _Assembly.ID 1 _Assembly.Name 'Zinc finger BED domain containing protein 1' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'zinc finger BED domain' 1 $entity_1 A . yes native no no . . . 11319 1 2 'ZINC ION' 2 $ZN B . no native no no . . . 11319 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 'zinc finger BED domain' 1 CYS 32 32 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . . 32 CYS SG . . . . ZN 11319 1 2 coordination single . 1 'zinc finger BED domain' 1 CYS 35 35 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . . 35 CYS SG . . . . ZN 11319 1 3 coordination single . 1 'zinc finger BED domain' 1 HIS 51 51 NE2 . 2 'ZINC ION' 2 ZN 1 1 ZN . . 51 HIS NE2 . . . . ZN 11319 1 4 coordination single . 1 'zinc finger BED domain' 1 HIS 56 56 NE2 . 2 'ZINC ION' 2 ZN 1 1 ZN . . 56 HIS NE2 . . . . ZN 11319 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . 1 1 HIS 51 51 HE2 . 51 HIS HE2 11319 1 . . 1 1 HIS 56 56 HE2 . 56 HIS HE2 11319 1 . . 1 1 CYS 32 32 HG . 32 CYS HG 11319 1 . . 1 1 CYS 35 35 HG . 35 CYS HG 11319 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 2ct5 . . . . . . 11319 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11319 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'zinc finger BED 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 ; GSSGSSGSKVWKYFGFDTNA EGCILQWKKIYCRICMAQIA YSGNTSNLSYHLEKNHPEEF CEFVKSNSGPSSG ; _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 73 _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 2CT5 . "Solution Structure Of The Zinc Finger Bed Domain Of The Zinc Finger Bed Domain Containing Protein 1" . . . . . 100.00 73 100.00 100.00 2.59e-45 . . . . 11319 1 2 no DBJ BAA34505 . "KIAA0785 protein [Homo sapiens]" . . . . . 83.56 694 98.36 100.00 2.14e-36 . . . . 11319 1 3 no DBJ BAG09847 . "zinc finger BED domain-containing protein 1 [synthetic construct]" . . . . . 83.56 694 98.36 100.00 2.14e-36 . . . . 11319 1 4 no EMBL CAA76545 . "putative transposase Ac-like [Homo sapiens]" . . . . . 83.56 694 98.36 100.00 2.14e-36 . . . . 11319 1 5 no EMBL CAA76660 . "putative transposase [Homo sapiens]" . . . . . 83.56 694 98.36 100.00 2.14e-36 . . . . 11319 1 6 no GB AAH15030 . "ZBED1 protein [Homo sapiens]" . . . . . 83.56 694 98.36 100.00 1.97e-36 . . . . 11319 1 7 no GB ABM84566 . "zinc finger, BED-type containing 1 [synthetic construct]" . . . . . 83.56 694 98.36 100.00 1.97e-36 . . . . 11319 1 8 no GB ABM86530 . "zinc finger, BED-type containing 1 [synthetic construct]" . . . . . 83.56 694 98.36 100.00 1.97e-36 . . . . 11319 1 9 no GB AIC55542 . "ZBED1, partial [synthetic construct]" . . . . . 83.56 694 98.36 100.00 1.97e-36 . . . . 11319 1 10 no GB EAW98691 . "hCG1981838, isoform CRA_b [Homo sapiens]" . . . . . 83.56 694 98.36 100.00 2.14e-36 . . . . 11319 1 11 no REF NP_001164606 . "zinc finger BED domain-containing protein 1 [Homo sapiens]" . . . . . 83.56 694 98.36 100.00 2.14e-36 . . . . 11319 1 12 no REF NP_001164607 . "zinc finger BED domain-containing protein 1 [Homo sapiens]" . . . . . 83.56 694 98.36 100.00 2.14e-36 . . . . 11319 1 13 no REF NP_001253637 . "zinc finger BED domain-containing protein 1 [Macaca mulatta]" . . . . . 83.56 694 98.36 100.00 2.01e-36 . . . . 11319 1 14 no REF NP_004720 . "zinc finger BED domain-containing protein 1 [Homo sapiens]" . . . . . 83.56 694 98.36 100.00 2.14e-36 . . . . 11319 1 15 no REF XP_002831388 . "PREDICTED: zinc finger BED domain-containing protein 1 [Pongo abelii]" . . . . . 83.56 694 98.36 100.00 2.14e-36 . . . . 11319 1 16 no SP O96006 . "RecName: Full=Zinc finger BED domain-containing protein 1; AltName: Full=Putative Ac-like transposable element; AltName: Full=d" . . . . . 83.56 694 98.36 100.00 2.14e-36 . . . . 11319 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'zinc finger BED domain' . 11319 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 . 11319 1 2 . SER . 11319 1 3 . SER . 11319 1 4 . GLY . 11319 1 5 . SER . 11319 1 6 . SER . 11319 1 7 . GLY . 11319 1 8 . SER . 11319 1 9 . LYS . 11319 1 10 . VAL . 11319 1 11 . TRP . 11319 1 12 . LYS . 11319 1 13 . TYR . 11319 1 14 . PHE . 11319 1 15 . GLY . 11319 1 16 . PHE . 11319 1 17 . ASP . 11319 1 18 . THR . 11319 1 19 . ASN . 11319 1 20 . ALA . 11319 1 21 . GLU . 11319 1 22 . GLY . 11319 1 23 . CYS . 11319 1 24 . ILE . 11319 1 25 . LEU . 11319 1 26 . GLN . 11319 1 27 . TRP . 11319 1 28 . LYS . 11319 1 29 . LYS . 11319 1 30 . ILE . 11319 1 31 . TYR . 11319 1 32 . CYS . 11319 1 33 . ARG . 11319 1 34 . ILE . 11319 1 35 . CYS . 11319 1 36 . MET . 11319 1 37 . ALA . 11319 1 38 . GLN . 11319 1 39 . ILE . 11319 1 40 . ALA . 11319 1 41 . TYR . 11319 1 42 . SER . 11319 1 43 . GLY . 11319 1 44 . ASN . 11319 1 45 . THR . 11319 1 46 . SER . 11319 1 47 . ASN . 11319 1 48 . LEU . 11319 1 49 . SER . 11319 1 50 . TYR . 11319 1 51 . HIS . 11319 1 52 . LEU . 11319 1 53 . GLU . 11319 1 54 . LYS . 11319 1 55 . ASN . 11319 1 56 . HIS . 11319 1 57 . PRO . 11319 1 58 . GLU . 11319 1 59 . GLU . 11319 1 60 . PHE . 11319 1 61 . CYS . 11319 1 62 . GLU . 11319 1 63 . PHE . 11319 1 64 . VAL . 11319 1 65 . LYS . 11319 1 66 . SER . 11319 1 67 . ASN . 11319 1 68 . SER . 11319 1 69 . GLY . 11319 1 70 . PRO . 11319 1 71 . SER . 11319 1 72 . SER . 11319 1 73 . GLY . 11319 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 11319 1 . SER 2 2 11319 1 . SER 3 3 11319 1 . GLY 4 4 11319 1 . SER 5 5 11319 1 . SER 6 6 11319 1 . GLY 7 7 11319 1 . SER 8 8 11319 1 . LYS 9 9 11319 1 . VAL 10 10 11319 1 . TRP 11 11 11319 1 . LYS 12 12 11319 1 . TYR 13 13 11319 1 . PHE 14 14 11319 1 . GLY 15 15 11319 1 . PHE 16 16 11319 1 . ASP 17 17 11319 1 . THR 18 18 11319 1 . ASN 19 19 11319 1 . ALA 20 20 11319 1 . GLU 21 21 11319 1 . GLY 22 22 11319 1 . CYS 23 23 11319 1 . ILE 24 24 11319 1 . LEU 25 25 11319 1 . GLN 26 26 11319 1 . TRP 27 27 11319 1 . LYS 28 28 11319 1 . LYS 29 29 11319 1 . ILE 30 30 11319 1 . TYR 31 31 11319 1 . CYS 32 32 11319 1 . ARG 33 33 11319 1 . ILE 34 34 11319 1 . CYS 35 35 11319 1 . MET 36 36 11319 1 . ALA 37 37 11319 1 . GLN 38 38 11319 1 . ILE 39 39 11319 1 . ALA 40 40 11319 1 . TYR 41 41 11319 1 . SER 42 42 11319 1 . GLY 43 43 11319 1 . ASN 44 44 11319 1 . THR 45 45 11319 1 . SER 46 46 11319 1 . ASN 47 47 11319 1 . LEU 48 48 11319 1 . SER 49 49 11319 1 . TYR 50 50 11319 1 . HIS 51 51 11319 1 . LEU 52 52 11319 1 . GLU 53 53 11319 1 . LYS 54 54 11319 1 . ASN 55 55 11319 1 . HIS 56 56 11319 1 . PRO 57 57 11319 1 . GLU 58 58 11319 1 . GLU 59 59 11319 1 . PHE 60 60 11319 1 . CYS 61 61 11319 1 . GLU 62 62 11319 1 . PHE 63 63 11319 1 . VAL 64 64 11319 1 . LYS 65 65 11319 1 . SER 66 66 11319 1 . ASN 67 67 11319 1 . SER 68 68 11319 1 . GLY 69 69 11319 1 . PRO 70 70 11319 1 . SER 71 71 11319 1 . SER 72 72 11319 1 . GLY 73 73 11319 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11319 _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 . 11319 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 11319 _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 . . . . . . . . . . . . . . . . . . . . . 11319 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 11319 _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 . . P040308-29 . . . . . . 11319 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 11319 _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 11319 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11319 ZN [Zn++] SMILES CACTVS 3.341 11319 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11319 ZN [Zn+2] SMILES ACDLabs 10.04 11319 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11319 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11319 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 11319 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11319 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 . 11319 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11319 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.09mM zinc finger BED domain U-13C, {15N;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.01mM {ZNCl2;} 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 'zinc finger BED domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.09 . . mM . . . . 11319 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11319 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11319 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11319 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11319 1 6 ZnCl2 'natural abundance' . . . . . salt 0.01 . . mM . . . . 11319 1 7 H2O . . . . . . solvent 90 . . % . . . . 11319 1 8 D2O . . . . . . solvent 10 . . % . . . . 11319 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 11319 _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 11319 1 pH 7.0 0.05 pH 11319 1 pressure 1 0.001 atm 11319 1 temperature 296 0.1 K 11319 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11319 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11319 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11319 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11319 _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.' . . 11319 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11319 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11319 _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.' . . 11319 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11319 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11319 _Software.ID 4 _Software.Name Kujira _Software.Version 0.925 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11319 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11319 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11319 _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.' . . 11319 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11319 5 'structure solution' 11319 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 11319 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11319 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 11319 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 11319 _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 . . . . . . . . . . . . . . . . 11319 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11319 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 11319 _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 . . . . . . . . . 11319 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11319 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11319 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 11319 _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 11319 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11319 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11319 1 2 $NMRPipe . . 11319 1 3 $NMRView . . 11319 1 4 $Kujira . . 11319 1 5 $CYANA . . 11319 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 8 8 SER HA H 1 4.590 0.030 . 1 . . . . 8 SER HA . 11319 1 2 . 1 1 8 8 SER HB2 H 1 4.172 0.030 . 2 . . . . 8 SER HB2 . 11319 1 3 . 1 1 8 8 SER HB3 H 1 3.988 0.030 . 2 . . . . 8 SER HB3 . 11319 1 4 . 1 1 8 8 SER CA C 13 58.891 0.300 . 1 . . . . 8 SER CA . 11319 1 5 . 1 1 8 8 SER CB C 13 63.761 0.300 . 1 . . . . 8 SER CB . 11319 1 6 . 1 1 9 9 LYS HA H 1 4.378 0.030 . 1 . . . . 9 LYS HA . 11319 1 7 . 1 1 9 9 LYS HB2 H 1 2.040 0.030 . 2 . . . . 9 LYS HB2 . 11319 1 8 . 1 1 9 9 LYS HB3 H 1 2.181 0.030 . 2 . . . . 9 LYS HB3 . 11319 1 9 . 1 1 9 9 LYS HD2 H 1 1.741 0.030 . 2 . . . . 9 LYS HD2 . 11319 1 10 . 1 1 9 9 LYS HD3 H 1 1.776 0.030 . 2 . . . . 9 LYS HD3 . 11319 1 11 . 1 1 9 9 LYS HE2 H 1 3.039 0.030 . 1 . . . . 9 LYS HE2 . 11319 1 12 . 1 1 9 9 LYS HE3 H 1 3.039 0.030 . 1 . . . . 9 LYS HE3 . 11319 1 13 . 1 1 9 9 LYS HG2 H 1 1.617 0.030 . 2 . . . . 9 LYS HG2 . 11319 1 14 . 1 1 9 9 LYS HG3 H 1 1.697 0.030 . 2 . . . . 9 LYS HG3 . 11319 1 15 . 1 1 9 9 LYS C C 13 177.945 0.300 . 1 . . . . 9 LYS C . 11319 1 16 . 1 1 9 9 LYS CA C 13 58.054 0.300 . 1 . . . . 9 LYS CA . 11319 1 17 . 1 1 9 9 LYS CB C 13 32.227 0.300 . 1 . . . . 9 LYS CB . 11319 1 18 . 1 1 9 9 LYS CD C 13 28.958 0.300 . 1 . . . . 9 LYS CD . 11319 1 19 . 1 1 9 9 LYS CE C 13 42.576 0.300 . 1 . . . . 9 LYS CE . 11319 1 20 . 1 1 9 9 LYS CG C 13 25.641 0.300 . 1 . . . . 9 LYS CG . 11319 1 21 . 1 1 10 10 VAL H H 1 8.244 0.030 . 1 . . . . 10 VAL H . 11319 1 22 . 1 1 10 10 VAL HA H 1 3.767 0.030 . 1 . . . . 10 VAL HA . 11319 1 23 . 1 1 10 10 VAL HB H 1 1.899 0.030 . 1 . . . . 10 VAL HB . 11319 1 24 . 1 1 10 10 VAL HG11 H 1 0.306 0.030 . 1 . . . . 10 VAL HG1 . 11319 1 25 . 1 1 10 10 VAL HG12 H 1 0.306 0.030 . 1 . . . . 10 VAL HG1 . 11319 1 26 . 1 1 10 10 VAL HG13 H 1 0.306 0.030 . 1 . . . . 10 VAL HG1 . 11319 1 27 . 1 1 10 10 VAL HG21 H 1 0.542 0.030 . 1 . . . . 10 VAL HG2 . 11319 1 28 . 1 1 10 10 VAL HG22 H 1 0.542 0.030 . 1 . . . . 10 VAL HG2 . 11319 1 29 . 1 1 10 10 VAL HG23 H 1 0.542 0.030 . 1 . . . . 10 VAL HG2 . 11319 1 30 . 1 1 10 10 VAL C C 13 175.900 0.300 . 1 . . . . 10 VAL C . 11319 1 31 . 1 1 10 10 VAL CA C 13 64.536 0.300 . 1 . . . . 10 VAL CA . 11319 1 32 . 1 1 10 10 VAL CB C 13 31.691 0.300 . 1 . . . . 10 VAL CB . 11319 1 33 . 1 1 10 10 VAL CG1 C 13 19.762 0.300 . 2 . . . . 10 VAL CG1 . 11319 1 34 . 1 1 10 10 VAL CG2 C 13 22.169 0.300 . 2 . . . . 10 VAL CG2 . 11319 1 35 . 1 1 10 10 VAL N N 15 119.080 0.300 . 1 . . . . 10 VAL N . 11319 1 36 . 1 1 11 11 TRP H H 1 7.149 0.030 . 1 . . . . 11 TRP H . 11319 1 37 . 1 1 11 11 TRP HA H 1 4.601 0.030 . 1 . . . . 11 TRP HA . 11319 1 38 . 1 1 11 11 TRP HB2 H 1 3.660 0.030 . 2 . . . . 11 TRP HB2 . 11319 1 39 . 1 1 11 11 TRP HB3 H 1 3.139 0.030 . 2 . . . . 11 TRP HB3 . 11319 1 40 . 1 1 11 11 TRP HD1 H 1 7.492 0.030 . 1 . . . . 11 TRP HD1 . 11319 1 41 . 1 1 11 11 TRP HE1 H 1 10.017 0.030 . 1 . . . . 11 TRP HE1 . 11319 1 42 . 1 1 11 11 TRP HE3 H 1 7.549 0.030 . 1 . . . . 11 TRP HE3 . 11319 1 43 . 1 1 11 11 TRP HH2 H 1 6.296 0.030 . 1 . . . . 11 TRP HH2 . 11319 1 44 . 1 1 11 11 TRP HZ2 H 1 7.182 0.030 . 1 . . . . 11 TRP HZ2 . 11319 1 45 . 1 1 11 11 TRP HZ3 H 1 6.383 0.030 . 1 . . . . 11 TRP HZ3 . 11319 1 46 . 1 1 11 11 TRP C C 13 176.531 0.300 . 1 . . . . 11 TRP C . 11319 1 47 . 1 1 11 11 TRP CA C 13 58.785 0.300 . 1 . . . . 11 TRP CA . 11319 1 48 . 1 1 11 11 TRP CB C 13 28.985 0.300 . 1 . . . . 11 TRP CB . 11319 1 49 . 1 1 11 11 TRP CD1 C 13 127.260 0.300 . 1 . . . . 11 TRP CD1 . 11319 1 50 . 1 1 11 11 TRP CE3 C 13 120.574 0.300 . 1 . . . . 11 TRP CE3 . 11319 1 51 . 1 1 11 11 TRP CH2 C 13 124.535 0.300 . 1 . . . . 11 TRP CH2 . 11319 1 52 . 1 1 11 11 TRP CZ2 C 13 114.419 0.300 . 1 . . . . 11 TRP CZ2 . 11319 1 53 . 1 1 11 11 TRP CZ3 C 13 121.430 0.300 . 1 . . . . 11 TRP CZ3 . 11319 1 54 . 1 1 11 11 TRP N N 15 118.280 0.300 . 1 . . . . 11 TRP N . 11319 1 55 . 1 1 11 11 TRP NE1 N 15 127.832 0.300 . 1 . . . . 11 TRP NE1 . 11319 1 56 . 1 1 12 12 LYS H H 1 7.603 0.030 . 1 . . . . 12 LYS H . 11319 1 57 . 1 1 12 12 LYS HA H 1 4.012 0.030 . 1 . . . . 12 LYS HA . 11319 1 58 . 1 1 12 12 LYS HB2 H 1 1.678 0.030 . 2 . . . . 12 LYS HB2 . 11319 1 59 . 1 1 12 12 LYS HB3 H 1 1.223 0.030 . 2 . . . . 12 LYS HB3 . 11319 1 60 . 1 1 12 12 LYS HD2 H 1 1.423 0.030 . 2 . . . . 12 LYS HD2 . 11319 1 61 . 1 1 12 12 LYS HD3 H 1 1.507 0.030 . 2 . . . . 12 LYS HD3 . 11319 1 62 . 1 1 12 12 LYS HE2 H 1 2.793 0.030 . 1 . . . . 12 LYS HE2 . 11319 1 63 . 1 1 12 12 LYS HE3 H 1 2.793 0.030 . 1 . . . . 12 LYS HE3 . 11319 1 64 . 1 1 12 12 LYS HG2 H 1 0.739 0.030 . 2 . . . . 12 LYS HG2 . 11319 1 65 . 1 1 12 12 LYS HG3 H 1 0.905 0.030 . 2 . . . . 12 LYS HG3 . 11319 1 66 . 1 1 12 12 LYS C C 13 177.503 0.300 . 1 . . . . 12 LYS C . 11319 1 67 . 1 1 12 12 LYS CA C 13 58.709 0.300 . 1 . . . . 12 LYS CA . 11319 1 68 . 1 1 12 12 LYS CB C 13 32.224 0.300 . 1 . . . . 12 LYS CB . 11319 1 69 . 1 1 12 12 LYS CD C 13 29.461 0.300 . 1 . . . . 12 LYS CD . 11319 1 70 . 1 1 12 12 LYS CE C 13 42.134 0.300 . 1 . . . . 12 LYS CE . 11319 1 71 . 1 1 12 12 LYS CG C 13 24.450 0.300 . 1 . . . . 12 LYS CG . 11319 1 72 . 1 1 12 12 LYS N N 15 119.239 0.300 . 1 . . . . 12 LYS N . 11319 1 73 . 1 1 13 13 TYR H H 1 7.487 0.030 . 1 . . . . 13 TYR H . 11319 1 74 . 1 1 13 13 TYR HA H 1 4.243 0.030 . 1 . . . . 13 TYR HA . 11319 1 75 . 1 1 13 13 TYR HB2 H 1 2.916 0.030 . 2 . . . . 13 TYR HB2 . 11319 1 76 . 1 1 13 13 TYR HB3 H 1 2.478 0.030 . 2 . . . . 13 TYR HB3 . 11319 1 77 . 1 1 13 13 TYR HD1 H 1 7.010 0.030 . 1 . . . . 13 TYR HD1 . 11319 1 78 . 1 1 13 13 TYR HD2 H 1 7.010 0.030 . 1 . . . . 13 TYR HD2 . 11319 1 79 . 1 1 13 13 TYR HE1 H 1 6.741 0.030 . 1 . . . . 13 TYR HE1 . 11319 1 80 . 1 1 13 13 TYR HE2 H 1 6.741 0.030 . 1 . . . . 13 TYR HE2 . 11319 1 81 . 1 1 13 13 TYR C C 13 172.463 0.300 . 1 . . . . 13 TYR C . 11319 1 82 . 1 1 13 13 TYR CA C 13 58.128 0.300 . 1 . . . . 13 TYR CA . 11319 1 83 . 1 1 13 13 TYR CB C 13 39.647 0.300 . 1 . . . . 13 TYR CB . 11319 1 84 . 1 1 13 13 TYR CD1 C 13 133.064 0.300 . 1 . . . . 13 TYR CD1 . 11319 1 85 . 1 1 13 13 TYR CD2 C 13 133.064 0.300 . 1 . . . . 13 TYR CD2 . 11319 1 86 . 1 1 13 13 TYR CE1 C 13 117.976 0.300 . 1 . . . . 13 TYR CE1 . 11319 1 87 . 1 1 13 13 TYR CE2 C 13 117.976 0.300 . 1 . . . . 13 TYR CE2 . 11319 1 88 . 1 1 13 13 TYR N N 15 114.509 0.300 . 1 . . . . 13 TYR N . 11319 1 89 . 1 1 14 14 PHE H H 1 7.556 0.030 . 1 . . . . 14 PHE H . 11319 1 90 . 1 1 14 14 PHE HA H 1 5.244 0.030 . 1 . . . . 14 PHE HA . 11319 1 91 . 1 1 14 14 PHE HB2 H 1 2.446 0.030 . 2 . . . . 14 PHE HB2 . 11319 1 92 . 1 1 14 14 PHE HB3 H 1 2.840 0.030 . 2 . . . . 14 PHE HB3 . 11319 1 93 . 1 1 14 14 PHE HD1 H 1 7.087 0.030 . 1 . . . . 14 PHE HD1 . 11319 1 94 . 1 1 14 14 PHE HD2 H 1 7.087 0.030 . 1 . . . . 14 PHE HD2 . 11319 1 95 . 1 1 14 14 PHE HE1 H 1 6.932 0.030 . 1 . . . . 14 PHE HE1 . 11319 1 96 . 1 1 14 14 PHE HE2 H 1 6.932 0.030 . 1 . . . . 14 PHE HE2 . 11319 1 97 . 1 1 14 14 PHE HZ H 1 7.372 0.030 . 1 . . . . 14 PHE HZ . 11319 1 98 . 1 1 14 14 PHE C C 13 174.139 0.300 . 1 . . . . 14 PHE C . 11319 1 99 . 1 1 14 14 PHE CA C 13 56.876 0.300 . 1 . . . . 14 PHE CA . 11319 1 100 . 1 1 14 14 PHE CB C 13 43.707 0.300 . 1 . . . . 14 PHE CB . 11319 1 101 . 1 1 14 14 PHE CD1 C 13 132.561 0.300 . 1 . . . . 14 PHE CD1 . 11319 1 102 . 1 1 14 14 PHE CD2 C 13 132.561 0.300 . 1 . . . . 14 PHE CD2 . 11319 1 103 . 1 1 14 14 PHE CE1 C 13 130.237 0.300 . 1 . . . . 14 PHE CE1 . 11319 1 104 . 1 1 14 14 PHE CE2 C 13 130.237 0.300 . 1 . . . . 14 PHE CE2 . 11319 1 105 . 1 1 14 14 PHE CZ C 13 130.086 0.300 . 1 . . . . 14 PHE CZ . 11319 1 106 . 1 1 14 14 PHE N N 15 115.151 0.300 . 1 . . . . 14 PHE N . 11319 1 107 . 1 1 15 15 GLY H H 1 8.641 0.030 . 1 . . . . 15 GLY H . 11319 1 108 . 1 1 15 15 GLY HA2 H 1 4.400 0.030 . 2 . . . . 15 GLY HA2 . 11319 1 109 . 1 1 15 15 GLY HA3 H 1 3.173 0.030 . 2 . . . . 15 GLY HA3 . 11319 1 110 . 1 1 15 15 GLY C C 13 171.298 0.300 . 1 . . . . 15 GLY C . 11319 1 111 . 1 1 15 15 GLY CA C 13 43.837 0.300 . 1 . . . . 15 GLY CA . 11319 1 112 . 1 1 15 15 GLY N N 15 107.272 0.300 . 1 . . . . 15 GLY N . 11319 1 113 . 1 1 16 16 PHE H H 1 8.014 0.030 . 1 . . . . 16 PHE H . 11319 1 114 . 1 1 16 16 PHE HA H 1 5.155 0.030 . 1 . . . . 16 PHE HA . 11319 1 115 . 1 1 16 16 PHE HB2 H 1 3.057 0.030 . 2 . . . . 16 PHE HB2 . 11319 1 116 . 1 1 16 16 PHE HB3 H 1 2.808 0.030 . 2 . . . . 16 PHE HB3 . 11319 1 117 . 1 1 16 16 PHE HD1 H 1 6.992 0.030 . 1 . . . . 16 PHE HD1 . 11319 1 118 . 1 1 16 16 PHE HD2 H 1 6.992 0.030 . 1 . . . . 16 PHE HD2 . 11319 1 119 . 1 1 16 16 PHE HE1 H 1 6.906 0.030 . 1 . . . . 16 PHE HE1 . 11319 1 120 . 1 1 16 16 PHE HE2 H 1 6.906 0.030 . 1 . . . . 16 PHE HE2 . 11319 1 121 . 1 1 16 16 PHE HZ H 1 6.781 0.030 . 1 . . . . 16 PHE HZ . 11319 1 122 . 1 1 16 16 PHE C C 13 175.730 0.300 . 1 . . . . 16 PHE C . 11319 1 123 . 1 1 16 16 PHE CA C 13 56.444 0.300 . 1 . . . . 16 PHE CA . 11319 1 124 . 1 1 16 16 PHE CB C 13 40.960 0.300 . 1 . . . . 16 PHE CB . 11319 1 125 . 1 1 16 16 PHE CD1 C 13 132.058 0.300 . 1 . . . . 16 PHE CD1 . 11319 1 126 . 1 1 16 16 PHE CD2 C 13 132.058 0.300 . 1 . . . . 16 PHE CD2 . 11319 1 127 . 1 1 16 16 PHE CE1 C 13 131.039 0.300 . 1 . . . . 16 PHE CE1 . 11319 1 128 . 1 1 16 16 PHE CE2 C 13 131.039 0.300 . 1 . . . . 16 PHE CE2 . 11319 1 129 . 1 1 16 16 PHE CZ C 13 129.582 0.300 . 1 . . . . 16 PHE CZ . 11319 1 130 . 1 1 16 16 PHE N N 15 115.796 0.300 . 1 . . . . 16 PHE N . 11319 1 131 . 1 1 17 17 ASP H H 1 9.091 0.030 . 1 . . . . 17 ASP H . 11319 1 132 . 1 1 17 17 ASP HA H 1 4.817 0.030 . 1 . . . . 17 ASP HA . 11319 1 133 . 1 1 17 17 ASP HB2 H 1 2.840 0.030 . 2 . . . . 17 ASP HB2 . 11319 1 134 . 1 1 17 17 ASP HB3 H 1 2.631 0.030 . 2 . . . . 17 ASP HB3 . 11319 1 135 . 1 1 17 17 ASP C C 13 176.422 0.300 . 1 . . . . 17 ASP C . 11319 1 136 . 1 1 17 17 ASP CA C 13 53.998 0.300 . 1 . . . . 17 ASP CA . 11319 1 137 . 1 1 17 17 ASP CB C 13 42.216 0.300 . 1 . . . . 17 ASP CB . 11319 1 138 . 1 1 17 17 ASP N N 15 122.514 0.300 . 1 . . . . 17 ASP N . 11319 1 139 . 1 1 18 18 THR H H 1 8.325 0.030 . 1 . . . . 18 THR H . 11319 1 140 . 1 1 18 18 THR HA H 1 4.530 0.030 . 1 . . . . 18 THR HA . 11319 1 141 . 1 1 18 18 THR HB H 1 4.204 0.030 . 1 . . . . 18 THR HB . 11319 1 142 . 1 1 18 18 THR HG21 H 1 1.141 0.030 . 1 . . . . 18 THR HG2 . 11319 1 143 . 1 1 18 18 THR HG22 H 1 1.141 0.030 . 1 . . . . 18 THR HG2 . 11319 1 144 . 1 1 18 18 THR HG23 H 1 1.141 0.030 . 1 . . . . 18 THR HG2 . 11319 1 145 . 1 1 18 18 THR C C 13 174.698 0.300 . 1 . . . . 18 THR C . 11319 1 146 . 1 1 18 18 THR CA C 13 61.523 0.300 . 1 . . . . 18 THR CA . 11319 1 147 . 1 1 18 18 THR CB C 13 70.198 0.300 . 1 . . . . 18 THR CB . 11319 1 148 . 1 1 18 18 THR CG2 C 13 21.414 0.300 . 1 . . . . 18 THR CG2 . 11319 1 149 . 1 1 18 18 THR N N 15 115.334 0.300 . 1 . . . . 18 THR N . 11319 1 150 . 1 1 19 19 ASN H H 1 8.381 0.030 . 1 . . . . 19 ASN H . 11319 1 151 . 1 1 19 19 ASN HA H 1 4.709 0.030 . 1 . . . . 19 ASN HA . 11319 1 152 . 1 1 19 19 ASN HB2 H 1 2.792 0.030 . 2 . . . . 19 ASN HB2 . 11319 1 153 . 1 1 19 19 ASN HB3 H 1 2.960 0.030 . 2 . . . . 19 ASN HB3 . 11319 1 154 . 1 1 19 19 ASN HD21 H 1 6.987 0.030 . 2 . . . . 19 ASN HD21 . 11319 1 155 . 1 1 19 19 ASN HD22 H 1 7.669 0.030 . 2 . . . . 19 ASN HD22 . 11319 1 156 . 1 1 19 19 ASN C C 13 175.596 0.300 . 1 . . . . 19 ASN C . 11319 1 157 . 1 1 19 19 ASN CA C 13 52.839 0.300 . 1 . . . . 19 ASN CA . 11319 1 158 . 1 1 19 19 ASN CB C 13 38.992 0.300 . 1 . . . . 19 ASN CB . 11319 1 159 . 1 1 19 19 ASN N N 15 120.140 0.300 . 1 . . . . 19 ASN N . 11319 1 160 . 1 1 19 19 ASN ND2 N 15 113.215 0.300 . 1 . . . . 19 ASN ND2 . 11319 1 161 . 1 1 20 20 ALA H H 1 8.239 0.030 . 1 . . . . 20 ALA H . 11319 1 162 . 1 1 20 20 ALA HA H 1 4.251 0.030 . 1 . . . . 20 ALA HA . 11319 1 163 . 1 1 20 20 ALA HB1 H 1 1.384 0.030 . 1 . . . . 20 ALA HB . 11319 1 164 . 1 1 20 20 ALA HB2 H 1 1.384 0.030 . 1 . . . . 20 ALA HB . 11319 1 165 . 1 1 20 20 ALA HB3 H 1 1.384 0.030 . 1 . . . . 20 ALA HB . 11319 1 166 . 1 1 20 20 ALA C C 13 177.855 0.300 . 1 . . . . 20 ALA C . 11319 1 167 . 1 1 20 20 ALA CA C 13 53.136 0.300 . 1 . . . . 20 ALA CA . 11319 1 168 . 1 1 20 20 ALA CB C 13 19.224 0.300 . 1 . . . . 20 ALA CB . 11319 1 169 . 1 1 20 20 ALA N N 15 123.786 0.300 . 1 . . . . 20 ALA N . 11319 1 170 . 1 1 21 21 GLU H H 1 8.181 0.030 . 1 . . . . 21 GLU H . 11319 1 171 . 1 1 21 21 GLU HA H 1 4.220 0.030 . 1 . . . . 21 GLU HA . 11319 1 172 . 1 1 21 21 GLU HB2 H 1 1.981 0.030 . 2 . . . . 21 GLU HB2 . 11319 1 173 . 1 1 21 21 GLU HB3 H 1 2.075 0.030 . 2 . . . . 21 GLU HB3 . 11319 1 174 . 1 1 21 21 GLU HG2 H 1 2.250 0.030 . 1 . . . . 21 GLU HG2 . 11319 1 175 . 1 1 21 21 GLU HG3 H 1 2.250 0.030 . 1 . . . . 21 GLU HG3 . 11319 1 176 . 1 1 21 21 GLU C C 13 177.079 0.300 . 1 . . . . 21 GLU C . 11319 1 177 . 1 1 21 21 GLU CA C 13 56.959 0.300 . 1 . . . . 21 GLU CA . 11319 1 178 . 1 1 21 21 GLU CB C 13 29.846 0.300 . 1 . . . . 21 GLU CB . 11319 1 179 . 1 1 21 21 GLU CG C 13 36.541 0.300 . 1 . . . . 21 GLU CG . 11319 1 180 . 1 1 21 21 GLU N N 15 118.905 0.300 . 1 . . . . 21 GLU N . 11319 1 181 . 1 1 22 22 GLY H H 1 8.352 0.030 . 1 . . . . 22 GLY H . 11319 1 182 . 1 1 22 22 GLY HA2 H 1 4.070 0.030 . 2 . . . . 22 GLY HA2 . 11319 1 183 . 1 1 22 22 GLY HA3 H 1 3.793 0.030 . 2 . . . . 22 GLY HA3 . 11319 1 184 . 1 1 22 22 GLY C C 13 174.079 0.300 . 1 . . . . 22 GLY C . 11319 1 185 . 1 1 22 22 GLY CA C 13 45.404 0.300 . 1 . . . . 22 GLY CA . 11319 1 186 . 1 1 22 22 GLY N N 15 109.492 0.300 . 1 . . . . 22 GLY N . 11319 1 187 . 1 1 23 23 CYS H H 1 7.978 0.030 . 1 . . . . 23 CYS H . 11319 1 188 . 1 1 23 23 CYS HA H 1 4.420 0.030 . 1 . . . . 23 CYS HA . 11319 1 189 . 1 1 23 23 CYS HB2 H 1 2.837 0.030 . 2 . . . . 23 CYS HB2 . 11319 1 190 . 1 1 23 23 CYS HB3 H 1 2.863 0.030 . 2 . . . . 23 CYS HB3 . 11319 1 191 . 1 1 23 23 CYS C C 13 174.759 0.300 . 1 . . . . 23 CYS C . 11319 1 192 . 1 1 23 23 CYS CA C 13 58.555 0.300 . 1 . . . . 23 CYS CA . 11319 1 193 . 1 1 23 23 CYS CB C 13 28.205 0.300 . 1 . . . . 23 CYS CB . 11319 1 194 . 1 1 23 23 CYS N N 15 119.306 0.300 . 1 . . . . 23 CYS N . 11319 1 195 . 1 1 24 24 ILE H H 1 8.238 0.030 . 1 . . . . 24 ILE H . 11319 1 196 . 1 1 24 24 ILE HA H 1 3.968 0.030 . 1 . . . . 24 ILE HA . 11319 1 197 . 1 1 24 24 ILE HB H 1 1.690 0.030 . 1 . . . . 24 ILE HB . 11319 1 198 . 1 1 24 24 ILE HD11 H 1 0.604 0.030 . 1 . . . . 24 ILE HD1 . 11319 1 199 . 1 1 24 24 ILE HD12 H 1 0.604 0.030 . 1 . . . . 24 ILE HD1 . 11319 1 200 . 1 1 24 24 ILE HD13 H 1 0.604 0.030 . 1 . . . . 24 ILE HD1 . 11319 1 201 . 1 1 24 24 ILE HG12 H 1 0.957 0.030 . 2 . . . . 24 ILE HG12 . 11319 1 202 . 1 1 24 24 ILE HG13 H 1 1.337 0.030 . 2 . . . . 24 ILE HG13 . 11319 1 203 . 1 1 24 24 ILE HG21 H 1 0.649 0.030 . 1 . . . . 24 ILE HG2 . 11319 1 204 . 1 1 24 24 ILE HG22 H 1 0.649 0.030 . 1 . . . . 24 ILE HG2 . 11319 1 205 . 1 1 24 24 ILE HG23 H 1 0.649 0.030 . 1 . . . . 24 ILE HG2 . 11319 1 206 . 1 1 24 24 ILE C C 13 176.228 0.300 . 1 . . . . 24 ILE C . 11319 1 207 . 1 1 24 24 ILE CA C 13 62.151 0.300 . 1 . . . . 24 ILE CA . 11319 1 208 . 1 1 24 24 ILE CB C 13 38.171 0.300 . 1 . . . . 24 ILE CB . 11319 1 209 . 1 1 24 24 ILE CD1 C 13 13.124 0.300 . 1 . . . . 24 ILE CD1 . 11319 1 210 . 1 1 24 24 ILE CG1 C 13 27.701 0.300 . 1 . . . . 24 ILE CG1 . 11319 1 211 . 1 1 24 24 ILE CG2 C 13 17.358 0.300 . 1 . . . . 24 ILE CG2 . 11319 1 212 . 1 1 24 24 ILE N N 15 123.506 0.300 . 1 . . . . 24 ILE N . 11319 1 213 . 1 1 25 25 LEU H H 1 8.188 0.030 . 1 . . . . 25 LEU H . 11319 1 214 . 1 1 25 25 LEU HA H 1 4.211 0.030 . 1 . . . . 25 LEU HA . 11319 1 215 . 1 1 25 25 LEU HB2 H 1 1.391 0.030 . 2 . . . . 25 LEU HB2 . 11319 1 216 . 1 1 25 25 LEU HB3 H 1 1.580 0.030 . 2 . . . . 25 LEU HB3 . 11319 1 217 . 1 1 25 25 LEU HD11 H 1 0.839 0.030 . 1 . . . . 25 LEU HD1 . 11319 1 218 . 1 1 25 25 LEU HD12 H 1 0.839 0.030 . 1 . . . . 25 LEU HD1 . 11319 1 219 . 1 1 25 25 LEU HD13 H 1 0.839 0.030 . 1 . . . . 25 LEU HD1 . 11319 1 220 . 1 1 25 25 LEU HD21 H 1 0.803 0.030 . 1 . . . . 25 LEU HD2 . 11319 1 221 . 1 1 25 25 LEU HD22 H 1 0.803 0.030 . 1 . . . . 25 LEU HD2 . 11319 1 222 . 1 1 25 25 LEU HD23 H 1 0.803 0.030 . 1 . . . . 25 LEU HD2 . 11319 1 223 . 1 1 25 25 LEU HG H 1 1.528 0.030 . 1 . . . . 25 LEU HG . 11319 1 224 . 1 1 25 25 LEU C C 13 177.079 0.300 . 1 . . . . 25 LEU C . 11319 1 225 . 1 1 25 25 LEU CA C 13 55.314 0.300 . 1 . . . . 25 LEU CA . 11319 1 226 . 1 1 25 25 LEU CB C 13 42.273 0.300 . 1 . . . . 25 LEU CB . 11319 1 227 . 1 1 25 25 LEU CD1 C 13 25.181 0.300 . 2 . . . . 25 LEU CD1 . 11319 1 228 . 1 1 25 25 LEU CD2 C 13 23.249 0.300 . 2 . . . . 25 LEU CD2 . 11319 1 229 . 1 1 25 25 LEU CG C 13 26.930 0.300 . 1 . . . . 25 LEU CG . 11319 1 230 . 1 1 25 25 LEU N N 15 125.119 0.300 . 1 . . . . 25 LEU N . 11319 1 231 . 1 1 26 26 GLN H H 1 8.050 0.030 . 1 . . . . 26 GLN H . 11319 1 232 . 1 1 26 26 GLN HA H 1 4.124 0.030 . 1 . . . . 26 GLN HA . 11319 1 233 . 1 1 26 26 GLN HB2 H 1 1.883 0.030 . 1 . . . . 26 GLN HB2 . 11319 1 234 . 1 1 26 26 GLN HB3 H 1 1.883 0.030 . 1 . . . . 26 GLN HB3 . 11319 1 235 . 1 1 26 26 GLN HE21 H 1 7.397 0.030 . 2 . . . . 26 GLN HE21 . 11319 1 236 . 1 1 26 26 GLN HE22 H 1 6.835 0.030 . 2 . . . . 26 GLN HE22 . 11319 1 237 . 1 1 26 26 GLN HG2 H 1 2.113 0.030 . 2 . . . . 26 GLN HG2 . 11319 1 238 . 1 1 26 26 GLN HG3 H 1 2.022 0.030 . 2 . . . . 26 GLN HG3 . 11319 1 239 . 1 1 26 26 GLN C C 13 175.305 0.300 . 1 . . . . 26 GLN C . 11319 1 240 . 1 1 26 26 GLN CA C 13 56.444 0.300 . 1 . . . . 26 GLN CA . 11319 1 241 . 1 1 26 26 GLN CB C 13 29.026 0.300 . 1 . . . . 26 GLN CB . 11319 1 242 . 1 1 26 26 GLN CG C 13 33.281 0.300 . 1 . . . . 26 GLN CG . 11319 1 243 . 1 1 26 26 GLN N N 15 118.837 0.300 . 1 . . . . 26 GLN N . 11319 1 244 . 1 1 26 26 GLN NE2 N 15 112.258 0.300 . 1 . . . . 26 GLN NE2 . 11319 1 245 . 1 1 27 27 TRP H H 1 7.882 0.030 . 1 . . . . 27 TRP H . 11319 1 246 . 1 1 27 27 TRP HA H 1 4.769 0.030 . 1 . . . . 27 TRP HA . 11319 1 247 . 1 1 27 27 TRP HB2 H 1 3.353 0.030 . 2 . . . . 27 TRP HB2 . 11319 1 248 . 1 1 27 27 TRP HB3 H 1 3.177 0.030 . 2 . . . . 27 TRP HB3 . 11319 1 249 . 1 1 27 27 TRP HD1 H 1 7.086 0.030 . 1 . . . . 27 TRP HD1 . 11319 1 250 . 1 1 27 27 TRP HE1 H 1 10.012 0.030 . 1 . . . . 27 TRP HE1 . 11319 1 251 . 1 1 27 27 TRP HE3 H 1 7.476 0.030 . 1 . . . . 27 TRP HE3 . 11319 1 252 . 1 1 27 27 TRP HH2 H 1 7.076 0.030 . 1 . . . . 27 TRP HH2 . 11319 1 253 . 1 1 27 27 TRP HZ2 H 1 7.350 0.030 . 1 . . . . 27 TRP HZ2 . 11319 1 254 . 1 1 27 27 TRP HZ3 H 1 6.936 0.030 . 1 . . . . 27 TRP HZ3 . 11319 1 255 . 1 1 27 27 TRP C C 13 175.754 0.300 . 1 . . . . 27 TRP C . 11319 1 256 . 1 1 27 27 TRP CA C 13 56.647 0.300 . 1 . . . . 27 TRP CA . 11319 1 257 . 1 1 27 27 TRP CB C 13 29.964 0.300 . 1 . . . . 27 TRP CB . 11319 1 258 . 1 1 27 27 TRP CD1 C 13 126.794 0.300 . 1 . . . . 27 TRP CD1 . 11319 1 259 . 1 1 27 27 TRP CE3 C 13 120.788 0.300 . 1 . . . . 27 TRP CE3 . 11319 1 260 . 1 1 27 27 TRP CH2 C 13 124.515 0.300 . 1 . . . . 27 TRP CH2 . 11319 1 261 . 1 1 27 27 TRP CZ2 C 13 114.660 0.300 . 1 . . . . 27 TRP CZ2 . 11319 1 262 . 1 1 27 27 TRP CZ3 C 13 122.000 0.300 . 1 . . . . 27 TRP CZ3 . 11319 1 263 . 1 1 27 27 TRP N N 15 118.967 0.300 . 1 . . . . 27 TRP N . 11319 1 264 . 1 1 27 27 TRP NE1 N 15 129.075 0.300 . 1 . . . . 27 TRP NE1 . 11319 1 265 . 1 1 28 28 LYS H H 1 8.292 0.030 . 1 . . . . 28 LYS H . 11319 1 266 . 1 1 28 28 LYS HA H 1 4.504 0.030 . 1 . . . . 28 LYS HA . 11319 1 267 . 1 1 28 28 LYS HB2 H 1 1.782 0.030 . 2 . . . . 28 LYS HB2 . 11319 1 268 . 1 1 28 28 LYS HB3 H 1 1.921 0.030 . 2 . . . . 28 LYS HB3 . 11319 1 269 . 1 1 28 28 LYS HD2 H 1 1.535 0.030 . 1 . . . . 28 LYS HD2 . 11319 1 270 . 1 1 28 28 LYS HD3 H 1 1.535 0.030 . 1 . . . . 28 LYS HD3 . 11319 1 271 . 1 1 28 28 LYS HE2 H 1 2.836 0.030 . 1 . . . . 28 LYS HE2 . 11319 1 272 . 1 1 28 28 LYS HE3 H 1 2.836 0.030 . 1 . . . . 28 LYS HE3 . 11319 1 273 . 1 1 28 28 LYS HG2 H 1 1.344 0.030 . 2 . . . . 28 LYS HG2 . 11319 1 274 . 1 1 28 28 LYS HG3 H 1 1.389 0.030 . 2 . . . . 28 LYS HG3 . 11319 1 275 . 1 1 28 28 LYS C C 13 176.374 0.300 . 1 . . . . 28 LYS C . 11319 1 276 . 1 1 28 28 LYS CA C 13 56.734 0.300 . 1 . . . . 28 LYS CA . 11319 1 277 . 1 1 28 28 LYS CB C 13 33.660 0.300 . 1 . . . . 28 LYS CB . 11319 1 278 . 1 1 28 28 LYS CD C 13 29.231 0.300 . 1 . . . . 28 LYS CD . 11319 1 279 . 1 1 28 28 LYS CE C 13 42.300 0.300 . 1 . . . . 28 LYS CE . 11319 1 280 . 1 1 28 28 LYS CG C 13 25.273 0.300 . 1 . . . . 28 LYS CG . 11319 1 281 . 1 1 28 28 LYS N N 15 120.366 0.300 . 1 . . . . 28 LYS N . 11319 1 282 . 1 1 29 29 LYS H H 1 8.459 0.030 . 1 . . . . 29 LYS H . 11319 1 283 . 1 1 29 29 LYS HA H 1 4.709 0.030 . 1 . . . . 29 LYS HA . 11319 1 284 . 1 1 29 29 LYS HB2 H 1 1.802 0.030 . 1 . . . . 29 LYS HB2 . 11319 1 285 . 1 1 29 29 LYS HB3 H 1 1.802 0.030 . 1 . . . . 29 LYS HB3 . 11319 1 286 . 1 1 29 29 LYS HD2 H 1 1.646 0.030 . 1 . . . . 29 LYS HD2 . 11319 1 287 . 1 1 29 29 LYS HD3 H 1 1.646 0.030 . 1 . . . . 29 LYS HD3 . 11319 1 288 . 1 1 29 29 LYS HE2 H 1 2.927 0.030 . 1 . . . . 29 LYS HE2 . 11319 1 289 . 1 1 29 29 LYS HE3 H 1 2.927 0.030 . 1 . . . . 29 LYS HE3 . 11319 1 290 . 1 1 29 29 LYS HG2 H 1 1.496 0.030 . 2 . . . . 29 LYS HG2 . 11319 1 291 . 1 1 29 29 LYS HG3 H 1 1.360 0.030 . 2 . . . . 29 LYS HG3 . 11319 1 292 . 1 1 29 29 LYS C C 13 175.050 0.300 . 1 . . . . 29 LYS C . 11319 1 293 . 1 1 29 29 LYS CA C 13 56.099 0.300 . 1 . . . . 29 LYS CA . 11319 1 294 . 1 1 29 29 LYS CB C 13 34.239 0.300 . 1 . . . . 29 LYS CB . 11319 1 295 . 1 1 29 29 LYS CD C 13 29.599 0.300 . 1 . . . . 29 LYS CD . 11319 1 296 . 1 1 29 29 LYS CE C 13 42.024 0.300 . 1 . . . . 29 LYS CE . 11319 1 297 . 1 1 29 29 LYS CG C 13 25.181 0.300 . 1 . . . . 29 LYS CG . 11319 1 298 . 1 1 29 29 LYS N N 15 121.142 0.300 . 1 . . . . 29 LYS N . 11319 1 299 . 1 1 30 30 ILE H H 1 8.697 0.030 . 1 . . . . 30 ILE H . 11319 1 300 . 1 1 30 30 ILE HA H 1 4.892 0.030 . 1 . . . . 30 ILE HA . 11319 1 301 . 1 1 30 30 ILE HB H 1 1.879 0.030 . 1 . . . . 30 ILE HB . 11319 1 302 . 1 1 30 30 ILE HD11 H 1 0.465 0.030 . 1 . . . . 30 ILE HD1 . 11319 1 303 . 1 1 30 30 ILE HD12 H 1 0.465 0.030 . 1 . . . . 30 ILE HD1 . 11319 1 304 . 1 1 30 30 ILE HD13 H 1 0.465 0.030 . 1 . . . . 30 ILE HD1 . 11319 1 305 . 1 1 30 30 ILE HG12 H 1 1.073 0.030 . 2 . . . . 30 ILE HG12 . 11319 1 306 . 1 1 30 30 ILE HG13 H 1 1.174 0.030 . 2 . . . . 30 ILE HG13 . 11319 1 307 . 1 1 30 30 ILE HG21 H 1 0.686 0.030 . 1 . . . . 30 ILE HG2 . 11319 1 308 . 1 1 30 30 ILE HG22 H 1 0.686 0.030 . 1 . . . . 30 ILE HG2 . 11319 1 309 . 1 1 30 30 ILE HG23 H 1 0.686 0.030 . 1 . . . . 30 ILE HG2 . 11319 1 310 . 1 1 30 30 ILE C C 13 174.564 0.300 . 1 . . . . 30 ILE C . 11319 1 311 . 1 1 30 30 ILE CA C 13 59.168 0.300 . 1 . . . . 30 ILE CA . 11319 1 312 . 1 1 30 30 ILE CB C 13 39.811 0.300 . 1 . . . . 30 ILE CB . 11319 1 313 . 1 1 30 30 ILE CD1 C 13 14.122 0.300 . 1 . . . . 30 ILE CD1 . 11319 1 314 . 1 1 30 30 ILE CG1 C 13 28.126 0.300 . 1 . . . . 30 ILE CG1 . 11319 1 315 . 1 1 30 30 ILE CG2 C 13 18.739 0.300 . 1 . . . . 30 ILE CG2 . 11319 1 316 . 1 1 30 30 ILE N N 15 122.761 0.300 . 1 . . . . 30 ILE N . 11319 1 317 . 1 1 31 31 TYR H H 1 8.654 0.030 . 1 . . . . 31 TYR H . 11319 1 318 . 1 1 31 31 TYR HA H 1 5.684 0.030 . 1 . . . . 31 TYR HA . 11319 1 319 . 1 1 31 31 TYR HB2 H 1 2.671 0.030 . 2 . . . . 31 TYR HB2 . 11319 1 320 . 1 1 31 31 TYR HB3 H 1 2.573 0.030 . 2 . . . . 31 TYR HB3 . 11319 1 321 . 1 1 31 31 TYR HD1 H 1 6.845 0.030 . 1 . . . . 31 TYR HD1 . 11319 1 322 . 1 1 31 31 TYR HD2 H 1 6.845 0.030 . 1 . . . . 31 TYR HD2 . 11319 1 323 . 1 1 31 31 TYR HE1 H 1 6.613 0.030 . 1 . . . . 31 TYR HE1 . 11319 1 324 . 1 1 31 31 TYR HE2 H 1 6.613 0.030 . 1 . . . . 31 TYR HE2 . 11319 1 325 . 1 1 31 31 TYR C C 13 174.343 0.300 . 1 . . . . 31 TYR C . 11319 1 326 . 1 1 31 31 TYR CA C 13 54.859 0.300 . 1 . . . . 31 TYR CA . 11319 1 327 . 1 1 31 31 TYR CB C 13 41.453 0.300 . 1 . . . . 31 TYR CB . 11319 1 328 . 1 1 31 31 TYR CD1 C 13 134.148 0.300 . 1 . . . . 31 TYR CD1 . 11319 1 329 . 1 1 31 31 TYR CD2 C 13 134.148 0.300 . 1 . . . . 31 TYR CD2 . 11319 1 330 . 1 1 31 31 TYR CE1 C 13 117.263 0.300 . 1 . . . . 31 TYR CE1 . 11319 1 331 . 1 1 31 31 TYR CE2 C 13 117.263 0.300 . 1 . . . . 31 TYR CE2 . 11319 1 332 . 1 1 31 31 TYR N N 15 120.832 0.300 . 1 . . . . 31 TYR N . 11319 1 333 . 1 1 32 32 CYS H H 1 8.647 0.030 . 1 . . . . 32 CYS H . 11319 1 334 . 1 1 32 32 CYS HA H 1 4.280 0.030 . 1 . . . . 32 CYS HA . 11319 1 335 . 1 1 32 32 CYS HB2 H 1 3.106 0.030 . 2 . . . . 32 CYS HB2 . 11319 1 336 . 1 1 32 32 CYS HB3 H 1 2.352 0.030 . 2 . . . . 32 CYS HB3 . 11319 1 337 . 1 1 32 32 CYS C C 13 177.516 0.300 . 1 . . . . 32 CYS C . 11319 1 338 . 1 1 32 32 CYS CA C 13 58.560 0.300 . 1 . . . . 32 CYS CA . 11319 1 339 . 1 1 32 32 CYS CB C 13 30.707 0.300 . 1 . . . . 32 CYS CB . 11319 1 340 . 1 1 32 32 CYS N N 15 123.748 0.300 . 1 . . . . 32 CYS N . 11319 1 341 . 1 1 33 33 ARG H H 1 9.220 0.030 . 1 . . . . 33 ARG H . 11319 1 342 . 1 1 33 33 ARG HA H 1 4.080 0.030 . 1 . . . . 33 ARG HA . 11319 1 343 . 1 1 33 33 ARG HB2 H 1 1.315 0.030 . 2 . . . . 33 ARG HB2 . 11319 1 344 . 1 1 33 33 ARG HB3 H 1 1.867 0.030 . 2 . . . . 33 ARG HB3 . 11319 1 345 . 1 1 33 33 ARG HD2 H 1 2.898 0.030 . 2 . . . . 33 ARG HD2 . 11319 1 346 . 1 1 33 33 ARG HD3 H 1 3.055 0.030 . 2 . . . . 33 ARG HD3 . 11319 1 347 . 1 1 33 33 ARG HG2 H 1 1.497 0.030 . 2 . . . . 33 ARG HG2 . 11319 1 348 . 1 1 33 33 ARG HG3 H 1 1.140 0.030 . 2 . . . . 33 ARG HG3 . 11319 1 349 . 1 1 33 33 ARG C C 13 176.289 0.300 . 1 . . . . 33 ARG C . 11319 1 350 . 1 1 33 33 ARG CA C 13 58.656 0.300 . 1 . . . . 33 ARG CA . 11319 1 351 . 1 1 33 33 ARG CB C 13 30.467 0.300 . 1 . . . . 33 ARG CB . 11319 1 352 . 1 1 33 33 ARG CD C 13 43.036 0.300 . 1 . . . . 33 ARG CD . 11319 1 353 . 1 1 33 33 ARG CG C 13 28.958 0.300 . 1 . . . . 33 ARG CG . 11319 1 354 . 1 1 33 33 ARG N N 15 128.782 0.300 . 1 . . . . 33 ARG N . 11319 1 355 . 1 1 34 34 ILE H H 1 9.165 0.030 . 1 . . . . 34 ILE H . 11319 1 356 . 1 1 34 34 ILE HA H 1 3.783 0.030 . 1 . . . . 34 ILE HA . 11319 1 357 . 1 1 34 34 ILE HB H 1 0.871 0.030 . 1 . . . . 34 ILE HB . 11319 1 358 . 1 1 34 34 ILE HD11 H 1 0.263 0.030 . 1 . . . . 34 ILE HD1 . 11319 1 359 . 1 1 34 34 ILE HD12 H 1 0.263 0.030 . 1 . . . . 34 ILE HD1 . 11319 1 360 . 1 1 34 34 ILE HD13 H 1 0.263 0.030 . 1 . . . . 34 ILE HD1 . 11319 1 361 . 1 1 34 34 ILE HG12 H 1 1.309 0.030 . 2 . . . . 34 ILE HG12 . 11319 1 362 . 1 1 34 34 ILE HG13 H 1 0.814 0.030 . 2 . . . . 34 ILE HG13 . 11319 1 363 . 1 1 34 34 ILE HG21 H 1 0.510 0.030 . 1 . . . . 34 ILE HG2 . 11319 1 364 . 1 1 34 34 ILE HG22 H 1 0.510 0.030 . 1 . . . . 34 ILE HG2 . 11319 1 365 . 1 1 34 34 ILE HG23 H 1 0.510 0.030 . 1 . . . . 34 ILE HG2 . 11319 1 366 . 1 1 34 34 ILE C C 13 177.346 0.300 . 1 . . . . 34 ILE C . 11319 1 367 . 1 1 34 34 ILE CA C 13 64.006 0.300 . 1 . . . . 34 ILE CA . 11319 1 368 . 1 1 34 34 ILE CB C 13 38.581 0.300 . 1 . . . . 34 ILE CB . 11319 1 369 . 1 1 34 34 ILE CD1 C 13 13.871 0.300 . 1 . . . . 34 ILE CD1 . 11319 1 370 . 1 1 34 34 ILE CG1 C 13 27.298 0.300 . 1 . . . . 34 ILE CG1 . 11319 1 371 . 1 1 34 34 ILE CG2 C 13 18.186 0.300 . 1 . . . . 34 ILE CG2 . 11319 1 372 . 1 1 34 34 ILE N N 15 121.581 0.300 . 1 . . . . 34 ILE N . 11319 1 373 . 1 1 35 35 CYS H H 1 8.421 0.030 . 1 . . . . 35 CYS H . 11319 1 374 . 1 1 35 35 CYS HA H 1 5.109 0.030 . 1 . . . . 35 CYS HA . 11319 1 375 . 1 1 35 35 CYS HB2 H 1 3.511 0.030 . 2 . . . . 35 CYS HB2 . 11319 1 376 . 1 1 35 35 CYS HB3 H 1 2.955 0.030 . 2 . . . . 35 CYS HB3 . 11319 1 377 . 1 1 35 35 CYS C C 13 175.876 0.300 . 1 . . . . 35 CYS C . 11319 1 378 . 1 1 35 35 CYS CA C 13 58.469 0.300 . 1 . . . . 35 CYS CA . 11319 1 379 . 1 1 35 35 CYS CB C 13 32.471 0.300 . 1 . . . . 35 CYS CB . 11319 1 380 . 1 1 35 35 CYS N N 15 116.756 0.300 . 1 . . . . 35 CYS N . 11319 1 381 . 1 1 36 36 MET H H 1 8.121 0.030 . 1 . . . . 36 MET H . 11319 1 382 . 1 1 36 36 MET HA H 1 4.673 0.030 . 1 . . . . 36 MET HA . 11319 1 383 . 1 1 36 36 MET HB2 H 1 2.247 0.030 . 2 . . . . 36 MET HB2 . 11319 1 384 . 1 1 36 36 MET HB3 H 1 2.469 0.030 . 2 . . . . 36 MET HB3 . 11319 1 385 . 1 1 36 36 MET HE1 H 1 1.821 0.030 . 1 . . . . 36 MET HE . 11319 1 386 . 1 1 36 36 MET HE2 H 1 1.821 0.030 . 1 . . . . 36 MET HE . 11319 1 387 . 1 1 36 36 MET HE3 H 1 1.821 0.030 . 1 . . . . 36 MET HE . 11319 1 388 . 1 1 36 36 MET HG2 H 1 2.284 0.030 . 2 . . . . 36 MET HG2 . 11319 1 389 . 1 1 36 36 MET HG3 H 1 2.602 0.030 . 2 . . . . 36 MET HG3 . 11319 1 390 . 1 1 36 36 MET C C 13 175.269 0.300 . 1 . . . . 36 MET C . 11319 1 391 . 1 1 36 36 MET CA C 13 57.034 0.300 . 1 . . . . 36 MET CA . 11319 1 392 . 1 1 36 36 MET CB C 13 28.288 0.300 . 1 . . . . 36 MET CB . 11319 1 393 . 1 1 36 36 MET CE C 13 16.570 0.300 . 1 . . . . 36 MET CE . 11319 1 394 . 1 1 36 36 MET CG C 13 33.004 0.300 . 1 . . . . 36 MET CG . 11319 1 395 . 1 1 36 36 MET N N 15 118.284 0.300 . 1 . . . . 36 MET N . 11319 1 396 . 1 1 37 37 ALA H H 1 8.341 0.030 . 1 . . . . 37 ALA H . 11319 1 397 . 1 1 37 37 ALA HA H 1 4.308 0.030 . 1 . . . . 37 ALA HA . 11319 1 398 . 1 1 37 37 ALA HB1 H 1 1.353 0.030 . 1 . . . . 37 ALA HB . 11319 1 399 . 1 1 37 37 ALA HB2 H 1 1.353 0.030 . 1 . . . . 37 ALA HB . 11319 1 400 . 1 1 37 37 ALA HB3 H 1 1.353 0.030 . 1 . . . . 37 ALA HB . 11319 1 401 . 1 1 37 37 ALA C C 13 176.801 0.300 . 1 . . . . 37 ALA C . 11319 1 402 . 1 1 37 37 ALA CA C 13 53.285 0.300 . 1 . . . . 37 ALA CA . 11319 1 403 . 1 1 37 37 ALA CB C 13 20.420 0.300 . 1 . . . . 37 ALA CB . 11319 1 404 . 1 1 37 37 ALA N N 15 123.674 0.300 . 1 . . . . 37 ALA N . 11319 1 405 . 1 1 38 38 GLN H H 1 8.463 0.030 . 1 . . . . 38 GLN H . 11319 1 406 . 1 1 38 38 GLN HA H 1 4.695 0.030 . 1 . . . . 38 GLN HA . 11319 1 407 . 1 1 38 38 GLN HB2 H 1 1.963 0.030 . 1 . . . . 38 GLN HB2 . 11319 1 408 . 1 1 38 38 GLN HB3 H 1 1.963 0.030 . 1 . . . . 38 GLN HB3 . 11319 1 409 . 1 1 38 38 GLN HE21 H 1 7.643 0.030 . 2 . . . . 38 GLN HE21 . 11319 1 410 . 1 1 38 38 GLN HE22 H 1 6.912 0.030 . 2 . . . . 38 GLN HE22 . 11319 1 411 . 1 1 38 38 GLN HG2 H 1 2.185 0.030 . 2 . . . . 38 GLN HG2 . 11319 1 412 . 1 1 38 38 GLN HG3 H 1 2.389 0.030 . 2 . . . . 38 GLN HG3 . 11319 1 413 . 1 1 38 38 GLN C C 13 176.083 0.300 . 1 . . . . 38 GLN C . 11319 1 414 . 1 1 38 38 GLN CA C 13 55.395 0.300 . 1 . . . . 38 GLN CA . 11319 1 415 . 1 1 38 38 GLN CB C 13 29.461 0.300 . 1 . . . . 38 GLN CB . 11319 1 416 . 1 1 38 38 GLN CG C 13 34.239 0.300 . 1 . . . . 38 GLN CG . 11319 1 417 . 1 1 38 38 GLN N N 15 119.649 0.300 . 1 . . . . 38 GLN N . 11319 1 418 . 1 1 38 38 GLN NE2 N 15 112.191 0.300 . 1 . . . . 38 GLN NE2 . 11319 1 419 . 1 1 39 39 ILE H H 1 8.661 0.030 . 1 . . . . 39 ILE H . 11319 1 420 . 1 1 39 39 ILE HA H 1 4.263 0.030 . 1 . . . . 39 ILE HA . 11319 1 421 . 1 1 39 39 ILE HB H 1 1.549 0.030 . 1 . . . . 39 ILE HB . 11319 1 422 . 1 1 39 39 ILE HD11 H 1 0.183 0.030 . 1 . . . . 39 ILE HD1 . 11319 1 423 . 1 1 39 39 ILE HD12 H 1 0.183 0.030 . 1 . . . . 39 ILE HD1 . 11319 1 424 . 1 1 39 39 ILE HD13 H 1 0.183 0.030 . 1 . . . . 39 ILE HD1 . 11319 1 425 . 1 1 39 39 ILE HG12 H 1 1.049 0.030 . 2 . . . . 39 ILE HG12 . 11319 1 426 . 1 1 39 39 ILE HG13 H 1 1.243 0.030 . 2 . . . . 39 ILE HG13 . 11319 1 427 . 1 1 39 39 ILE HG21 H 1 0.654 0.030 . 1 . . . . 39 ILE HG2 . 11319 1 428 . 1 1 39 39 ILE HG22 H 1 0.654 0.030 . 1 . . . . 39 ILE HG2 . 11319 1 429 . 1 1 39 39 ILE HG23 H 1 0.654 0.030 . 1 . . . . 39 ILE HG2 . 11319 1 430 . 1 1 39 39 ILE C C 13 174.710 0.300 . 1 . . . . 39 ILE C . 11319 1 431 . 1 1 39 39 ILE CA C 13 58.194 0.300 . 1 . . . . 39 ILE CA . 11319 1 432 . 1 1 39 39 ILE CB C 13 39.520 0.300 . 1 . . . . 39 ILE CB . 11319 1 433 . 1 1 39 39 ILE CD1 C 13 11.008 0.300 . 1 . . . . 39 ILE CD1 . 11319 1 434 . 1 1 39 39 ILE CG1 C 13 27.206 0.300 . 1 . . . . 39 ILE CG1 . 11319 1 435 . 1 1 39 39 ILE CG2 C 13 17.450 0.300 . 1 . . . . 39 ILE CG2 . 11319 1 436 . 1 1 39 39 ILE N N 15 126.044 0.300 . 1 . . . . 39 ILE N . 11319 1 437 . 1 1 40 40 ALA H H 1 8.479 0.030 . 1 . . . . 40 ALA H . 11319 1 438 . 1 1 40 40 ALA HA H 1 4.407 0.030 . 1 . . . . 40 ALA HA . 11319 1 439 . 1 1 40 40 ALA HB1 H 1 1.309 0.030 . 1 . . . . 40 ALA HB . 11319 1 440 . 1 1 40 40 ALA HB2 H 1 1.309 0.030 . 1 . . . . 40 ALA HB . 11319 1 441 . 1 1 40 40 ALA HB3 H 1 1.309 0.030 . 1 . . . . 40 ALA HB . 11319 1 442 . 1 1 40 40 ALA C C 13 176.496 0.300 . 1 . . . . 40 ALA C . 11319 1 443 . 1 1 40 40 ALA CA C 13 52.521 0.300 . 1 . . . . 40 ALA CA . 11319 1 444 . 1 1 40 40 ALA CB C 13 18.145 0.300 . 1 . . . . 40 ALA CB . 11319 1 445 . 1 1 40 40 ALA N N 15 129.317 0.300 . 1 . . . . 40 ALA N . 11319 1 446 . 1 1 41 41 TYR H H 1 8.394 0.030 . 1 . . . . 41 TYR H . 11319 1 447 . 1 1 41 41 TYR HA H 1 4.768 0.030 . 1 . . . . 41 TYR HA . 11319 1 448 . 1 1 41 41 TYR HB2 H 1 2.847 0.030 . 2 . . . . 41 TYR HB2 . 11319 1 449 . 1 1 41 41 TYR HB3 H 1 2.898 0.030 . 2 . . . . 41 TYR HB3 . 11319 1 450 . 1 1 41 41 TYR HD1 H 1 7.109 0.030 . 1 . . . . 41 TYR HD1 . 11319 1 451 . 1 1 41 41 TYR HD2 H 1 7.109 0.030 . 1 . . . . 41 TYR HD2 . 11319 1 452 . 1 1 41 41 TYR HE1 H 1 6.725 0.030 . 1 . . . . 41 TYR HE1 . 11319 1 453 . 1 1 41 41 TYR HE2 H 1 6.725 0.030 . 1 . . . . 41 TYR HE2 . 11319 1 454 . 1 1 41 41 TYR C C 13 174.931 0.300 . 1 . . . . 41 TYR C . 11319 1 455 . 1 1 41 41 TYR CA C 13 57.635 0.300 . 1 . . . . 41 TYR CA . 11319 1 456 . 1 1 41 41 TYR CB C 13 40.529 0.300 . 1 . . . . 41 TYR CB . 11319 1 457 . 1 1 41 41 TYR CD1 C 13 133.316 0.300 . 1 . . . . 41 TYR CD1 . 11319 1 458 . 1 1 41 41 TYR CD2 C 13 133.316 0.300 . 1 . . . . 41 TYR CD2 . 11319 1 459 . 1 1 41 41 TYR CE1 C 13 118.228 0.300 . 1 . . . . 41 TYR CE1 . 11319 1 460 . 1 1 41 41 TYR CE2 C 13 118.228 0.300 . 1 . . . . 41 TYR CE2 . 11319 1 461 . 1 1 41 41 TYR N N 15 123.043 0.300 . 1 . . . . 41 TYR N . 11319 1 462 . 1 1 44 44 ASN HA H 1 5.065 0.030 . 1 . . . . 44 ASN HA . 11319 1 463 . 1 1 44 44 ASN HB2 H 1 2.947 0.030 . 2 . . . . 44 ASN HB2 . 11319 1 464 . 1 1 44 44 ASN HB3 H 1 2.751 0.030 . 2 . . . . 44 ASN HB3 . 11319 1 465 . 1 1 44 44 ASN HD21 H 1 7.008 0.030 . 2 . . . . 44 ASN HD21 . 11319 1 466 . 1 1 44 44 ASN HD22 H 1 7.591 0.030 . 2 . . . . 44 ASN HD22 . 11319 1 467 . 1 1 44 44 ASN CA C 13 51.841 0.300 . 1 . . . . 44 ASN CA . 11319 1 468 . 1 1 44 44 ASN CB C 13 39.520 0.300 . 1 . . . . 44 ASN CB . 11319 1 469 . 1 1 44 44 ASN ND2 N 15 113.845 0.300 . 1 . . . . 44 ASN ND2 . 11319 1 470 . 1 1 45 45 THR H H 1 7.271 0.030 . 1 . . . . 45 THR H . 11319 1 471 . 1 1 45 45 THR HA H 1 4.370 0.030 . 1 . . . . 45 THR HA . 11319 1 472 . 1 1 45 45 THR HB H 1 4.027 0.030 . 1 . . . . 45 THR HB . 11319 1 473 . 1 1 45 45 THR HG21 H 1 1.346 0.030 . 1 . . . . 45 THR HG2 . 11319 1 474 . 1 1 45 45 THR HG22 H 1 1.346 0.030 . 1 . . . . 45 THR HG2 . 11319 1 475 . 1 1 45 45 THR HG23 H 1 1.346 0.030 . 1 . . . . 45 THR HG2 . 11319 1 476 . 1 1 45 45 THR CA C 13 68.941 0.300 . 1 . . . . 45 THR CA . 11319 1 477 . 1 1 45 45 THR CB C 13 64.163 0.300 . 1 . . . . 45 THR CB . 11319 1 478 . 1 1 45 45 THR CG2 C 13 22.420 0.300 . 1 . . . . 45 THR CG2 . 11319 1 479 . 1 1 45 45 THR N N 15 117.422 0.300 . 1 . . . . 45 THR N . 11319 1 480 . 1 1 46 46 SER H H 1 8.816 0.030 . 1 . . . . 46 SER H . 11319 1 481 . 1 1 46 46 SER N N 15 120.837 0.300 . 1 . . . . 46 SER N . 11319 1 482 . 1 1 47 47 ASN HA H 1 4.543 0.030 . 1 . . . . 47 ASN HA . 11319 1 483 . 1 1 47 47 ASN HB2 H 1 2.804 0.030 . 1 . . . . 47 ASN HB2 . 11319 1 484 . 1 1 47 47 ASN HB3 H 1 2.804 0.030 . 1 . . . . 47 ASN HB3 . 11319 1 485 . 1 1 47 47 ASN HD21 H 1 7.063 0.030 . 2 . . . . 47 ASN HD21 . 11319 1 486 . 1 1 47 47 ASN HD22 H 1 7.561 0.030 . 2 . . . . 47 ASN HD22 . 11319 1 487 . 1 1 47 47 ASN C C 13 177.507 0.300 . 1 . . . . 47 ASN C . 11319 1 488 . 1 1 47 47 ASN CA C 13 55.625 0.300 . 1 . . . . 47 ASN CA . 11319 1 489 . 1 1 47 47 ASN CB C 13 37.774 0.300 . 1 . . . . 47 ASN CB . 11319 1 490 . 1 1 47 47 ASN ND2 N 15 112.255 0.300 . 1 . . . . 47 ASN ND2 . 11319 1 491 . 1 1 48 48 LEU H H 1 7.293 0.030 . 1 . . . . 48 LEU H . 11319 1 492 . 1 1 48 48 LEU HA H 1 3.490 0.030 . 1 . . . . 48 LEU HA . 11319 1 493 . 1 1 48 48 LEU HB2 H 1 1.362 0.030 . 2 . . . . 48 LEU HB2 . 11319 1 494 . 1 1 48 48 LEU HB3 H 1 0.452 0.030 . 2 . . . . 48 LEU HB3 . 11319 1 495 . 1 1 48 48 LEU HD11 H 1 -0.491 0.030 . 1 . . . . 48 LEU HD1 . 11319 1 496 . 1 1 48 48 LEU HD12 H 1 -0.491 0.030 . 1 . . . . 48 LEU HD1 . 11319 1 497 . 1 1 48 48 LEU HD13 H 1 -0.491 0.030 . 1 . . . . 48 LEU HD1 . 11319 1 498 . 1 1 48 48 LEU HD21 H 1 -0.119 0.030 . 1 . . . . 48 LEU HD2 . 11319 1 499 . 1 1 48 48 LEU HD22 H 1 -0.119 0.030 . 1 . . . . 48 LEU HD2 . 11319 1 500 . 1 1 48 48 LEU HD23 H 1 -0.119 0.030 . 1 . . . . 48 LEU HD2 . 11319 1 501 . 1 1 48 48 LEU HG H 1 0.603 0.030 . 1 . . . . 48 LEU HG . 11319 1 502 . 1 1 48 48 LEU C C 13 177.747 0.300 . 1 . . . . 48 LEU C . 11319 1 503 . 1 1 48 48 LEU CA C 13 57.725 0.300 . 1 . . . . 48 LEU CA . 11319 1 504 . 1 1 48 48 LEU CB C 13 39.268 0.300 . 1 . . . . 48 LEU CB . 11319 1 505 . 1 1 48 48 LEU CD1 C 13 22.420 0.300 . 2 . . . . 48 LEU CD1 . 11319 1 506 . 1 1 48 48 LEU CD2 C 13 24.445 0.300 . 2 . . . . 48 LEU CD2 . 11319 1 507 . 1 1 48 48 LEU CG C 13 27.450 0.300 . 1 . . . . 48 LEU CG . 11319 1 508 . 1 1 48 48 LEU N N 15 121.205 0.300 . 1 . . . . 48 LEU N . 11319 1 509 . 1 1 49 49 SER H H 1 7.766 0.030 . 1 . . . . 49 SER H . 11319 1 510 . 1 1 49 49 SER HA H 1 3.843 0.030 . 1 . . . . 49 SER HA . 11319 1 511 . 1 1 49 49 SER HB2 H 1 3.981 0.030 . 2 . . . . 49 SER HB2 . 11319 1 512 . 1 1 49 49 SER HB3 H 1 4.028 0.030 . 2 . . . . 49 SER HB3 . 11319 1 513 . 1 1 49 49 SER C C 13 176.665 0.300 . 1 . . . . 49 SER C . 11319 1 514 . 1 1 49 49 SER CA C 13 62.151 0.300 . 1 . . . . 49 SER CA . 11319 1 515 . 1 1 49 49 SER CB C 13 62.357 0.300 . 1 . . . . 49 SER CB . 11319 1 516 . 1 1 49 49 SER N N 15 113.345 0.300 . 1 . . . . 49 SER N . 11319 1 517 . 1 1 50 50 TYR H H 1 8.239 0.030 . 1 . . . . 50 TYR H . 11319 1 518 . 1 1 50 50 TYR HA H 1 4.208 0.030 . 1 . . . . 50 TYR HA . 11319 1 519 . 1 1 50 50 TYR HB2 H 1 3.247 0.030 . 2 . . . . 50 TYR HB2 . 11319 1 520 . 1 1 50 50 TYR HB3 H 1 2.892 0.030 . 2 . . . . 50 TYR HB3 . 11319 1 521 . 1 1 50 50 TYR HD1 H 1 7.093 0.030 . 1 . . . . 50 TYR HD1 . 11319 1 522 . 1 1 50 50 TYR HD2 H 1 7.093 0.030 . 1 . . . . 50 TYR HD2 . 11319 1 523 . 1 1 50 50 TYR HE1 H 1 6.720 0.030 . 1 . . . . 50 TYR HE1 . 11319 1 524 . 1 1 50 50 TYR HE2 H 1 6.720 0.030 . 1 . . . . 50 TYR HE2 . 11319 1 525 . 1 1 50 50 TYR C C 13 176.726 0.300 . 1 . . . . 50 TYR C . 11319 1 526 . 1 1 50 50 TYR CA C 13 61.231 0.300 . 1 . . . . 50 TYR CA . 11319 1 527 . 1 1 50 50 TYR CB C 13 38.245 0.300 . 1 . . . . 50 TYR CB . 11319 1 528 . 1 1 50 50 TYR CD1 C 13 133.316 0.300 . 1 . . . . 50 TYR CD1 . 11319 1 529 . 1 1 50 50 TYR CD2 C 13 133.316 0.300 . 1 . . . . 50 TYR CD2 . 11319 1 530 . 1 1 50 50 TYR CE1 C 13 117.976 0.300 . 1 . . . . 50 TYR CE1 . 11319 1 531 . 1 1 50 50 TYR CE2 C 13 117.976 0.300 . 1 . . . . 50 TYR CE2 . 11319 1 532 . 1 1 50 50 TYR N N 15 120.557 0.300 . 1 . . . . 50 TYR N . 11319 1 533 . 1 1 51 51 HIS H H 1 7.530 0.030 . 1 . . . . 51 HIS H . 11319 1 534 . 1 1 51 51 HIS HA H 1 4.044 0.030 . 1 . . . . 51 HIS HA . 11319 1 535 . 1 1 51 51 HIS HB2 H 1 3.405 0.030 . 2 . . . . 51 HIS HB2 . 11319 1 536 . 1 1 51 51 HIS HB3 H 1 3.603 0.030 . 2 . . . . 51 HIS HB3 . 11319 1 537 . 1 1 51 51 HIS HD2 H 1 7.302 0.030 . 1 . . . . 51 HIS HD2 . 11319 1 538 . 1 1 51 51 HIS HE1 H 1 7.838 0.030 . 1 . . . . 51 HIS HE1 . 11319 1 539 . 1 1 51 51 HIS C C 13 178.208 0.300 . 1 . . . . 51 HIS C . 11319 1 540 . 1 1 51 51 HIS CA C 13 60.558 0.300 . 1 . . . . 51 HIS CA . 11319 1 541 . 1 1 51 51 HIS CB C 13 28.083 0.300 . 1 . . . . 51 HIS CB . 11319 1 542 . 1 1 51 51 HIS CD2 C 13 126.731 0.300 . 1 . . . . 51 HIS CD2 . 11319 1 543 . 1 1 51 51 HIS CE1 C 13 140.382 0.300 . 1 . . . . 51 HIS CE1 . 11319 1 544 . 1 1 51 51 HIS N N 15 115.912 0.300 . 1 . . . . 51 HIS N . 11319 1 545 . 1 1 52 52 LEU H H 1 7.839 0.030 . 1 . . . . 52 LEU H . 11319 1 546 . 1 1 52 52 LEU HA H 1 3.913 0.030 . 1 . . . . 52 LEU HA . 11319 1 547 . 1 1 52 52 LEU HB2 H 1 2.123 0.030 . 2 . . . . 52 LEU HB2 . 11319 1 548 . 1 1 52 52 LEU HB3 H 1 1.558 0.030 . 2 . . . . 52 LEU HB3 . 11319 1 549 . 1 1 52 52 LEU HD11 H 1 0.562 0.030 . 1 . . . . 52 LEU HD1 . 11319 1 550 . 1 1 52 52 LEU HD12 H 1 0.562 0.030 . 1 . . . . 52 LEU HD1 . 11319 1 551 . 1 1 52 52 LEU HD13 H 1 0.562 0.030 . 1 . . . . 52 LEU HD1 . 11319 1 552 . 1 1 52 52 LEU HD21 H 1 0.594 0.030 . 1 . . . . 52 LEU HD2 . 11319 1 553 . 1 1 52 52 LEU HD22 H 1 0.594 0.030 . 1 . . . . 52 LEU HD2 . 11319 1 554 . 1 1 52 52 LEU HD23 H 1 0.594 0.030 . 1 . . . . 52 LEU HD2 . 11319 1 555 . 1 1 52 52 LEU HG H 1 2.002 0.030 . 1 . . . . 52 LEU HG . 11319 1 556 . 1 1 52 52 LEU C C 13 176.872 0.300 . 1 . . . . 52 LEU C . 11319 1 557 . 1 1 52 52 LEU CA C 13 58.225 0.300 . 1 . . . . 52 LEU CA . 11319 1 558 . 1 1 52 52 LEU CB C 13 43.010 0.300 . 1 . . . . 52 LEU CB . 11319 1 559 . 1 1 52 52 LEU CD1 C 13 25.734 0.300 . 2 . . . . 52 LEU CD1 . 11319 1 560 . 1 1 52 52 LEU CD2 C 13 23.709 0.300 . 2 . . . . 52 LEU CD2 . 11319 1 561 . 1 1 52 52 LEU CG C 13 26.378 0.300 . 1 . . . . 52 LEU CG . 11319 1 562 . 1 1 52 52 LEU N N 15 117.090 0.300 . 1 . . . . 52 LEU N . 11319 1 563 . 1 1 53 53 GLU H H 1 8.290 0.030 . 1 . . . . 53 GLU H . 11319 1 564 . 1 1 53 53 GLU HA H 1 2.642 0.030 . 1 . . . . 53 GLU HA . 11319 1 565 . 1 1 53 53 GLU HB2 H 1 1.345 0.030 . 2 . . . . 53 GLU HB2 . 11319 1 566 . 1 1 53 53 GLU HB3 H 1 0.760 0.030 . 2 . . . . 53 GLU HB3 . 11319 1 567 . 1 1 53 53 GLU HG2 H 1 1.264 0.030 . 2 . . . . 53 GLU HG2 . 11319 1 568 . 1 1 53 53 GLU HG3 H 1 1.430 0.030 . 2 . . . . 53 GLU HG3 . 11319 1 569 . 1 1 53 53 GLU C C 13 177.867 0.300 . 1 . . . . 53 GLU C . 11319 1 570 . 1 1 53 53 GLU CA C 13 59.612 0.300 . 1 . . . . 53 GLU CA . 11319 1 571 . 1 1 53 53 GLU CB C 13 29.210 0.300 . 1 . . . . 53 GLU CB . 11319 1 572 . 1 1 53 53 GLU CG C 13 35.496 0.300 . 1 . . . . 53 GLU CG . 11319 1 573 . 1 1 53 53 GLU N N 15 119.297 0.300 . 1 . . . . 53 GLU N . 11319 1 574 . 1 1 54 54 LYS H H 1 7.521 0.030 . 1 . . . . 54 LYS H . 11319 1 575 . 1 1 54 54 LYS HA H 1 3.817 0.030 . 1 . . . . 54 LYS HA . 11319 1 576 . 1 1 54 54 LYS HB2 H 1 1.233 0.030 . 2 . . . . 54 LYS HB2 . 11319 1 577 . 1 1 54 54 LYS HB3 H 1 1.381 0.030 . 2 . . . . 54 LYS HB3 . 11319 1 578 . 1 1 54 54 LYS HD2 H 1 1.342 0.030 . 2 . . . . 54 LYS HD2 . 11319 1 579 . 1 1 54 54 LYS HD3 H 1 1.276 0.030 . 2 . . . . 54 LYS HD3 . 11319 1 580 . 1 1 54 54 LYS HE2 H 1 2.660 0.030 . 2 . . . . 54 LYS HE2 . 11319 1 581 . 1 1 54 54 LYS HE3 H 1 2.812 0.030 . 2 . . . . 54 LYS HE3 . 11319 1 582 . 1 1 54 54 LYS HG2 H 1 0.834 0.030 . 1 . . . . 54 LYS HG2 . 11319 1 583 . 1 1 54 54 LYS HG3 H 1 0.834 0.030 . 1 . . . . 54 LYS HG3 . 11319 1 584 . 1 1 54 54 LYS C C 13 177.686 0.300 . 1 . . . . 54 LYS C . 11319 1 585 . 1 1 54 54 LYS CA C 13 56.145 0.300 . 1 . . . . 54 LYS CA . 11319 1 586 . 1 1 54 54 LYS CB C 13 32.142 0.300 . 1 . . . . 54 LYS CB . 11319 1 587 . 1 1 54 54 LYS CD C 13 27.666 0.300 . 1 . . . . 54 LYS CD . 11319 1 588 . 1 1 54 54 LYS CE C 13 42.116 0.300 . 1 . . . . 54 LYS CE . 11319 1 589 . 1 1 54 54 LYS CG C 13 23.617 0.300 . 1 . . . . 54 LYS CG . 11319 1 590 . 1 1 54 54 LYS N N 15 111.434 0.300 . 1 . . . . 54 LYS N . 11319 1 591 . 1 1 55 55 ASN H H 1 7.126 0.030 . 1 . . . . 55 ASN H . 11319 1 592 . 1 1 55 55 ASN HA H 1 4.476 0.030 . 1 . . . . 55 ASN HA . 11319 1 593 . 1 1 55 55 ASN HB2 H 1 1.602 0.030 . 2 . . . . 55 ASN HB2 . 11319 1 594 . 1 1 55 55 ASN HB3 H 1 1.344 0.030 . 2 . . . . 55 ASN HB3 . 11319 1 595 . 1 1 55 55 ASN HD21 H 1 6.928 0.030 . 2 . . . . 55 ASN HD21 . 11319 1 596 . 1 1 55 55 ASN HD22 H 1 7.018 0.030 . 2 . . . . 55 ASN HD22 . 11319 1 597 . 1 1 55 55 ASN C C 13 173.969 0.300 . 1 . . . . 55 ASN C . 11319 1 598 . 1 1 55 55 ASN CA C 13 54.219 0.300 . 1 . . . . 55 ASN CA . 11319 1 599 . 1 1 55 55 ASN CB C 13 40.023 0.300 . 1 . . . . 55 ASN CB . 11319 1 600 . 1 1 55 55 ASN N N 15 112.068 0.300 . 1 . . . . 55 ASN N . 11319 1 601 . 1 1 55 55 ASN ND2 N 15 115.020 0.300 . 1 . . . . 55 ASN ND2 . 11319 1 602 . 1 1 56 56 HIS H H 1 8.261 0.030 . 1 . . . . 56 HIS H . 11319 1 603 . 1 1 56 56 HIS HA H 1 5.356 0.030 . 1 . . . . 56 HIS HA . 11319 1 604 . 1 1 56 56 HIS HB2 H 1 3.112 0.030 . 2 . . . . 56 HIS HB2 . 11319 1 605 . 1 1 56 56 HIS HB3 H 1 3.598 0.030 . 2 . . . . 56 HIS HB3 . 11319 1 606 . 1 1 56 56 HIS HD2 H 1 6.475 0.030 . 1 . . . . 56 HIS HD2 . 11319 1 607 . 1 1 56 56 HIS HE1 H 1 7.940 0.030 . 1 . . . . 56 HIS HE1 . 11319 1 608 . 1 1 56 56 HIS C C 13 170.907 0.300 . 1 . . . . 56 HIS C . 11319 1 609 . 1 1 56 56 HIS CA C 13 51.846 0.300 . 1 . . . . 56 HIS CA . 11319 1 610 . 1 1 56 56 HIS CB C 13 28.750 0.300 . 1 . . . . 56 HIS CB . 11319 1 611 . 1 1 56 56 HIS CD2 C 13 127.166 0.300 . 1 . . . . 56 HIS CD2 . 11319 1 612 . 1 1 56 56 HIS CE1 C 13 139.602 0.300 . 1 . . . . 56 HIS CE1 . 11319 1 613 . 1 1 56 56 HIS N N 15 117.303 0.300 . 1 . . . . 56 HIS N . 11319 1 614 . 1 1 57 57 PRO HA H 1 4.235 0.030 . 1 . . . . 57 PRO HA . 11319 1 615 . 1 1 57 57 PRO HB2 H 1 2.398 0.030 . 2 . . . . 57 PRO HB2 . 11319 1 616 . 1 1 57 57 PRO HB3 H 1 2.032 0.030 . 2 . . . . 57 PRO HB3 . 11319 1 617 . 1 1 57 57 PRO HD2 H 1 3.729 0.030 . 2 . . . . 57 PRO HD2 . 11319 1 618 . 1 1 57 57 PRO HD3 H 1 3.161 0.030 . 2 . . . . 57 PRO HD3 . 11319 1 619 . 1 1 57 57 PRO HG2 H 1 1.945 0.030 . 2 . . . . 57 PRO HG2 . 11319 1 620 . 1 1 57 57 PRO HG3 H 1 2.068 0.030 . 2 . . . . 57 PRO HG3 . 11319 1 621 . 1 1 57 57 PRO C C 13 179.722 0.300 . 1 . . . . 57 PRO C . 11319 1 622 . 1 1 57 57 PRO CA C 13 65.727 0.300 . 1 . . . . 57 PRO CA . 11319 1 623 . 1 1 57 57 PRO CB C 13 31.770 0.300 . 1 . . . . 57 PRO CB . 11319 1 624 . 1 1 57 57 PRO CD C 13 50.123 0.300 . 1 . . . . 57 PRO CD . 11319 1 625 . 1 1 57 57 PRO CG C 13 27.666 0.300 . 1 . . . . 57 PRO CG . 11319 1 626 . 1 1 58 58 GLU H H 1 9.003 0.030 . 1 . . . . 58 GLU H . 11319 1 627 . 1 1 58 58 GLU HA H 1 4.094 0.030 . 1 . . . . 58 GLU HA . 11319 1 628 . 1 1 58 58 GLU HB2 H 1 1.955 0.030 . 2 . . . . 58 GLU HB2 . 11319 1 629 . 1 1 58 58 GLU HB3 H 1 2.027 0.030 . 2 . . . . 58 GLU HB3 . 11319 1 630 . 1 1 58 58 GLU HG2 H 1 2.331 0.030 . 1 . . . . 58 GLU HG2 . 11319 1 631 . 1 1 58 58 GLU HG3 H 1 2.331 0.030 . 1 . . . . 58 GLU HG3 . 11319 1 632 . 1 1 58 58 GLU C C 13 179.398 0.300 . 1 . . . . 58 GLU C . 11319 1 633 . 1 1 58 58 GLU CA C 13 60.395 0.300 . 1 . . . . 58 GLU CA . 11319 1 634 . 1 1 58 58 GLU CB C 13 28.616 0.300 . 1 . . . . 58 GLU CB . 11319 1 635 . 1 1 58 58 GLU CG C 13 36.754 0.300 . 1 . . . . 58 GLU CG . 11319 1 636 . 1 1 58 58 GLU N N 15 119.304 0.300 . 1 . . . . 58 GLU N . 11319 1 637 . 1 1 59 59 GLU H H 1 8.740 0.030 . 1 . . . . 59 GLU H . 11319 1 638 . 1 1 59 59 GLU HA H 1 3.983 0.030 . 1 . . . . 59 GLU HA . 11319 1 639 . 1 1 59 59 GLU HB2 H 1 1.943 0.030 . 2 . . . . 59 GLU HB2 . 11319 1 640 . 1 1 59 59 GLU HB3 H 1 1.320 0.030 . 2 . . . . 59 GLU HB3 . 11319 1 641 . 1 1 59 59 GLU HG2 H 1 2.154 0.030 . 2 . . . . 59 GLU HG2 . 11319 1 642 . 1 1 59 59 GLU HG3 H 1 2.289 0.030 . 2 . . . . 59 GLU HG3 . 11319 1 643 . 1 1 59 59 GLU C C 13 178.706 0.300 . 1 . . . . 59 GLU C . 11319 1 644 . 1 1 59 59 GLU CA C 13 61.034 0.300 . 1 . . . . 59 GLU CA . 11319 1 645 . 1 1 59 59 GLU CB C 13 27.631 0.300 . 1 . . . . 59 GLU CB . 11319 1 646 . 1 1 59 59 GLU CG C 13 37.790 0.300 . 1 . . . . 59 GLU CG . 11319 1 647 . 1 1 59 59 GLU N N 15 123.148 0.300 . 1 . . . . 59 GLU N . 11319 1 648 . 1 1 60 60 PHE H H 1 8.976 0.030 . 1 . . . . 60 PHE H . 11319 1 649 . 1 1 60 60 PHE HA H 1 4.143 0.030 . 1 . . . . 60 PHE HA . 11319 1 650 . 1 1 60 60 PHE HB2 H 1 3.082 0.030 . 2 . . . . 60 PHE HB2 . 11319 1 651 . 1 1 60 60 PHE HB3 H 1 2.853 0.030 . 2 . . . . 60 PHE HB3 . 11319 1 652 . 1 1 60 60 PHE HD1 H 1 7.213 0.030 . 1 . . . . 60 PHE HD1 . 11319 1 653 . 1 1 60 60 PHE HD2 H 1 7.213 0.030 . 1 . . . . 60 PHE HD2 . 11319 1 654 . 1 1 60 60 PHE HE1 H 1 7.360 0.030 . 1 . . . . 60 PHE HE1 . 11319 1 655 . 1 1 60 60 PHE HE2 H 1 7.360 0.030 . 1 . . . . 60 PHE HE2 . 11319 1 656 . 1 1 60 60 PHE HZ H 1 7.235 0.030 . 1 . . . . 60 PHE HZ . 11319 1 657 . 1 1 60 60 PHE C C 13 176.447 0.300 . 1 . . . . 60 PHE C . 11319 1 658 . 1 1 60 60 PHE CA C 13 61.968 0.300 . 1 . . . . 60 PHE CA . 11319 1 659 . 1 1 60 60 PHE CB C 13 38.704 0.300 . 1 . . . . 60 PHE CB . 11319 1 660 . 1 1 60 60 PHE CD1 C 13 131.304 0.300 . 1 . . . . 60 PHE CD1 . 11319 1 661 . 1 1 60 60 PHE CD2 C 13 131.304 0.300 . 1 . . . . 60 PHE CD2 . 11319 1 662 . 1 1 60 60 PHE CE1 C 13 131.796 0.300 . 1 . . . . 60 PHE CE1 . 11319 1 663 . 1 1 60 60 PHE CE2 C 13 131.796 0.300 . 1 . . . . 60 PHE CE2 . 11319 1 664 . 1 1 60 60 PHE CZ C 13 130.745 0.300 . 1 . . . . 60 PHE CZ . 11319 1 665 . 1 1 60 60 PHE N N 15 119.366 0.300 . 1 . . . . 60 PHE N . 11319 1 666 . 1 1 61 61 CYS H H 1 8.039 0.030 . 1 . . . . 61 CYS H . 11319 1 667 . 1 1 61 61 CYS HA H 1 3.926 0.030 . 1 . . . . 61 CYS HA . 11319 1 668 . 1 1 61 61 CYS HB2 H 1 3.126 0.030 . 2 . . . . 61 CYS HB2 . 11319 1 669 . 1 1 61 61 CYS HB3 H 1 2.970 0.030 . 2 . . . . 61 CYS HB3 . 11319 1 670 . 1 1 61 61 CYS C C 13 176.956 0.300 . 1 . . . . 61 CYS C . 11319 1 671 . 1 1 61 61 CYS CA C 13 63.005 0.300 . 1 . . . . 61 CYS CA . 11319 1 672 . 1 1 61 61 CYS CB C 13 26.319 0.300 . 1 . . . . 61 CYS CB . 11319 1 673 . 1 1 61 61 CYS N N 15 116.025 0.300 . 1 . . . . 61 CYS N . 11319 1 674 . 1 1 62 62 GLU H H 1 7.484 0.030 . 1 . . . . 62 GLU H . 11319 1 675 . 1 1 62 62 GLU HA H 1 3.988 0.030 . 1 . . . . 62 GLU HA . 11319 1 676 . 1 1 62 62 GLU HB2 H 1 2.157 0.030 . 2 . . . . 62 GLU HB2 . 11319 1 677 . 1 1 62 62 GLU HB3 H 1 2.266 0.030 . 2 . . . . 62 GLU HB3 . 11319 1 678 . 1 1 62 62 GLU HG2 H 1 2.248 0.030 . 2 . . . . 62 GLU HG2 . 11319 1 679 . 1 1 62 62 GLU HG3 H 1 2.346 0.030 . 2 . . . . 62 GLU HG3 . 11319 1 680 . 1 1 62 62 GLU C C 13 178.402 0.300 . 1 . . . . 62 GLU C . 11319 1 681 . 1 1 62 62 GLU CA C 13 59.115 0.300 . 1 . . . . 62 GLU CA . 11319 1 682 . 1 1 62 62 GLU CB C 13 29.517 0.300 . 1 . . . . 62 GLU CB . 11319 1 683 . 1 1 62 62 GLU CG C 13 36.226 0.300 . 1 . . . . 62 GLU CG . 11319 1 684 . 1 1 62 62 GLU N N 15 119.516 0.300 . 1 . . . . 62 GLU N . 11319 1 685 . 1 1 63 63 PHE H H 1 8.532 0.030 . 1 . . . . 63 PHE H . 11319 1 686 . 1 1 63 63 PHE HA H 1 4.384 0.030 . 1 . . . . 63 PHE HA . 11319 1 687 . 1 1 63 63 PHE HB2 H 1 3.231 0.030 . 1 . . . . 63 PHE HB2 . 11319 1 688 . 1 1 63 63 PHE HB3 H 1 3.231 0.030 . 1 . . . . 63 PHE HB3 . 11319 1 689 . 1 1 63 63 PHE HD1 H 1 7.106 0.030 . 1 . . . . 63 PHE HD1 . 11319 1 690 . 1 1 63 63 PHE HD2 H 1 7.106 0.030 . 1 . . . . 63 PHE HD2 . 11319 1 691 . 1 1 63 63 PHE HE1 H 1 7.282 0.030 . 1 . . . . 63 PHE HE1 . 11319 1 692 . 1 1 63 63 PHE HE2 H 1 7.282 0.030 . 1 . . . . 63 PHE HE2 . 11319 1 693 . 1 1 63 63 PHE HZ H 1 7.248 0.030 . 1 . . . . 63 PHE HZ . 11319 1 694 . 1 1 63 63 PHE C C 13 177.637 0.300 . 1 . . . . 63 PHE C . 11319 1 695 . 1 1 63 63 PHE CA C 13 60.125 0.300 . 1 . . . . 63 PHE CA . 11319 1 696 . 1 1 63 63 PHE CB C 13 38.868 0.300 . 1 . . . . 63 PHE CB . 11319 1 697 . 1 1 63 63 PHE CD1 C 13 132.058 0.300 . 1 . . . . 63 PHE CD1 . 11319 1 698 . 1 1 63 63 PHE CD2 C 13 132.058 0.300 . 1 . . . . 63 PHE CD2 . 11319 1 699 . 1 1 63 63 PHE CE1 C 13 131.053 0.300 . 1 . . . . 63 PHE CE1 . 11319 1 700 . 1 1 63 63 PHE CE2 C 13 131.053 0.300 . 1 . . . . 63 PHE CE2 . 11319 1 701 . 1 1 63 63 PHE CZ C 13 129.549 0.300 . 1 . . . . 63 PHE CZ . 11319 1 702 . 1 1 63 63 PHE N N 15 122.316 0.300 . 1 . . . . 63 PHE N . 11319 1 703 . 1 1 64 64 VAL H H 1 8.221 0.030 . 1 . . . . 64 VAL H . 11319 1 704 . 1 1 64 64 VAL HA H 1 3.215 0.030 . 1 . . . . 64 VAL HA . 11319 1 705 . 1 1 64 64 VAL HB H 1 1.741 0.030 . 1 . . . . 64 VAL HB . 11319 1 706 . 1 1 64 64 VAL HG11 H 1 0.604 0.030 . 1 . . . . 64 VAL HG1 . 11319 1 707 . 1 1 64 64 VAL HG12 H 1 0.604 0.030 . 1 . . . . 64 VAL HG1 . 11319 1 708 . 1 1 64 64 VAL HG13 H 1 0.604 0.030 . 1 . . . . 64 VAL HG1 . 11319 1 709 . 1 1 64 64 VAL HG21 H 1 0.456 0.030 . 1 . . . . 64 VAL HG2 . 11319 1 710 . 1 1 64 64 VAL HG22 H 1 0.456 0.030 . 1 . . . . 64 VAL HG2 . 11319 1 711 . 1 1 64 64 VAL HG23 H 1 0.456 0.030 . 1 . . . . 64 VAL HG2 . 11319 1 712 . 1 1 64 64 VAL C C 13 178.633 0.300 . 1 . . . . 64 VAL C . 11319 1 713 . 1 1 64 64 VAL CA C 13 65.231 0.300 . 1 . . . . 64 VAL CA . 11319 1 714 . 1 1 64 64 VAL CB C 13 31.724 0.300 . 1 . . . . 64 VAL CB . 11319 1 715 . 1 1 64 64 VAL CG1 C 13 21.144 0.300 . 2 . . . . 64 VAL CG1 . 11319 1 716 . 1 1 64 64 VAL CG2 C 13 21.647 0.300 . 2 . . . . 64 VAL CG2 . 11319 1 717 . 1 1 64 64 VAL N N 15 118.939 0.300 . 1 . . . . 64 VAL N . 11319 1 718 . 1 1 65 65 LYS H H 1 7.671 0.030 . 1 . . . . 65 LYS H . 11319 1 719 . 1 1 65 65 LYS HA H 1 4.015 0.030 . 1 . . . . 65 LYS HA . 11319 1 720 . 1 1 65 65 LYS HB2 H 1 1.844 0.030 . 1 . . . . 65 LYS HB2 . 11319 1 721 . 1 1 65 65 LYS HB3 H 1 1.844 0.030 . 1 . . . . 65 LYS HB3 . 11319 1 722 . 1 1 65 65 LYS HD2 H 1 1.644 0.030 . 1 . . . . 65 LYS HD2 . 11319 1 723 . 1 1 65 65 LYS HD3 H 1 1.644 0.030 . 1 . . . . 65 LYS HD3 . 11319 1 724 . 1 1 65 65 LYS HE2 H 1 2.926 0.030 . 1 . . . . 65 LYS HE2 . 11319 1 725 . 1 1 65 65 LYS HE3 H 1 2.926 0.030 . 1 . . . . 65 LYS HE3 . 11319 1 726 . 1 1 65 65 LYS HG2 H 1 1.405 0.030 . 2 . . . . 65 LYS HG2 . 11319 1 727 . 1 1 65 65 LYS HG3 H 1 1.535 0.030 . 2 . . . . 65 LYS HG3 . 11319 1 728 . 1 1 65 65 LYS C C 13 178.269 0.300 . 1 . . . . 65 LYS C . 11319 1 729 . 1 1 65 65 LYS CA C 13 58.549 0.300 . 1 . . . . 65 LYS CA . 11319 1 730 . 1 1 65 65 LYS CB C 13 32.429 0.300 . 1 . . . . 65 LYS CB . 11319 1 731 . 1 1 65 65 LYS CD C 13 29.303 0.300 . 1 . . . . 65 LYS CD . 11319 1 732 . 1 1 65 65 LYS CE C 13 42.134 0.300 . 1 . . . . 65 LYS CE . 11319 1 733 . 1 1 65 65 LYS CG C 13 25.108 0.300 . 1 . . . . 65 LYS CG . 11319 1 734 . 1 1 65 65 LYS N N 15 120.640 0.300 . 1 . . . . 65 LYS N . 11319 1 735 . 1 1 66 66 SER H H 1 8.015 0.030 . 1 . . . . 66 SER H . 11319 1 736 . 1 1 66 66 SER HA H 1 4.354 0.030 . 1 . . . . 66 SER HA . 11319 1 737 . 1 1 66 66 SER HB2 H 1 3.956 0.030 . 1 . . . . 66 SER HB2 . 11319 1 738 . 1 1 66 66 SER HB3 H 1 3.956 0.030 . 1 . . . . 66 SER HB3 . 11319 1 739 . 1 1 66 66 SER C C 13 174.686 0.300 . 1 . . . . 66 SER C . 11319 1 740 . 1 1 66 66 SER CA C 13 59.638 0.300 . 1 . . . . 66 SER CA . 11319 1 741 . 1 1 66 66 SER CB C 13 63.660 0.300 . 1 . . . . 66 SER CB . 11319 1 742 . 1 1 66 66 SER N N 15 115.004 0.300 . 1 . . . . 66 SER N . 11319 1 743 . 1 1 67 67 ASN H H 1 7.886 0.030 . 1 . . . . 67 ASN H . 11319 1 744 . 1 1 67 67 ASN HA H 1 4.745 0.030 . 1 . . . . 67 ASN HA . 11319 1 745 . 1 1 67 67 ASN HB2 H 1 2.668 0.030 . 2 . . . . 67 ASN HB2 . 11319 1 746 . 1 1 67 67 ASN HB3 H 1 2.426 0.030 . 2 . . . . 67 ASN HB3 . 11319 1 747 . 1 1 67 67 ASN HD21 H 1 6.456 0.030 . 2 . . . . 67 ASN HD21 . 11319 1 748 . 1 1 67 67 ASN HD22 H 1 7.294 0.030 . 2 . . . . 67 ASN HD22 . 11319 1 749 . 1 1 67 67 ASN C C 13 175.135 0.300 . 1 . . . . 67 ASN C . 11319 1 750 . 1 1 67 67 ASN CA C 13 53.401 0.300 . 1 . . . . 67 ASN CA . 11319 1 751 . 1 1 67 67 ASN CB C 13 39.196 0.300 . 1 . . . . 67 ASN CB . 11319 1 752 . 1 1 67 67 ASN N N 15 120.332 0.300 . 1 . . . . 67 ASN N . 11319 1 753 . 1 1 67 67 ASN ND2 N 15 113.349 0.300 . 1 . . . . 67 ASN ND2 . 11319 1 754 . 1 1 68 68 SER H H 1 7.934 0.030 . 1 . . . . 68 SER H . 11319 1 755 . 1 1 68 68 SER HA H 1 4.468 0.030 . 1 . . . . 68 SER HA . 11319 1 756 . 1 1 68 68 SER HB2 H 1 3.901 0.030 . 1 . . . . 68 SER HB2 . 11319 1 757 . 1 1 68 68 SER HB3 H 1 3.901 0.030 . 1 . . . . 68 SER HB3 . 11319 1 758 . 1 1 68 68 SER C C 13 174.358 0.300 . 1 . . . . 68 SER C . 11319 1 759 . 1 1 68 68 SER CA C 13 58.641 0.300 . 1 . . . . 68 SER CA . 11319 1 760 . 1 1 68 68 SER CB C 13 64.008 0.300 . 1 . . . . 68 SER CB . 11319 1 761 . 1 1 68 68 SER N N 15 115.231 0.300 . 1 . . . . 68 SER N . 11319 1 762 . 1 1 69 69 GLY H H 1 8.178 0.030 . 1 . . . . 69 GLY H . 11319 1 763 . 1 1 69 69 GLY HA2 H 1 4.109 0.030 . 2 . . . . 69 GLY HA2 . 11319 1 764 . 1 1 69 69 GLY HA3 H 1 4.149 0.030 . 2 . . . . 69 GLY HA3 . 11319 1 765 . 1 1 69 69 GLY C C 13 171.877 0.300 . 1 . . . . 69 GLY C . 11319 1 766 . 1 1 69 69 GLY CA C 13 44.681 0.300 . 1 . . . . 69 GLY CA . 11319 1 767 . 1 1 69 69 GLY N N 15 110.480 0.300 . 1 . . . . 69 GLY N . 11319 1 768 . 1 1 70 70 PRO HA H 1 4.474 0.030 . 1 . . . . 70 PRO HA . 11319 1 769 . 1 1 70 70 PRO HB2 H 1 1.978 0.030 . 2 . . . . 70 PRO HB2 . 11319 1 770 . 1 1 70 70 PRO HB3 H 1 2.293 0.030 . 2 . . . . 70 PRO HB3 . 11319 1 771 . 1 1 70 70 PRO HD2 H 1 3.621 0.030 . 1 . . . . 70 PRO HD2 . 11319 1 772 . 1 1 70 70 PRO HD3 H 1 3.621 0.030 . 1 . . . . 70 PRO HD3 . 11319 1 773 . 1 1 70 70 PRO HG2 H 1 2.012 0.030 . 1 . . . . 70 PRO HG2 . 11319 1 774 . 1 1 70 70 PRO HG3 H 1 2.012 0.030 . 1 . . . . 70 PRO HG3 . 11319 1 775 . 1 1 70 70 PRO C C 13 177.410 0.300 . 1 . . . . 70 PRO C . 11319 1 776 . 1 1 70 70 PRO CA C 13 63.310 0.300 . 1 . . . . 70 PRO CA . 11319 1 777 . 1 1 70 70 PRO CB C 13 32.181 0.300 . 1 . . . . 70 PRO CB . 11319 1 778 . 1 1 70 70 PRO CD C 13 49.847 0.300 . 1 . . . . 70 PRO CD . 11319 1 779 . 1 1 70 70 PRO CG C 13 27.114 0.300 . 1 . . . . 70 PRO CG . 11319 1 780 . 1 1 71 71 SER H H 1 8.529 0.030 . 1 . . . . 71 SER H . 11319 1 781 . 1 1 71 71 SER C C 13 174.650 0.300 . 1 . . . . 71 SER C . 11319 1 782 . 1 1 71 71 SER CA C 13 58.397 0.300 . 1 . . . . 71 SER CA . 11319 1 783 . 1 1 71 71 SER CB C 13 63.855 0.300 . 1 . . . . 71 SER CB . 11319 1 784 . 1 1 71 71 SER N N 15 116.390 0.300 . 1 . . . . 71 SER N . 11319 1 785 . 1 1 72 72 SER H H 1 8.315 0.030 . 1 . . . . 72 SER H . 11319 1 786 . 1 1 72 72 SER C C 13 173.937 0.300 . 1 . . . . 72 SER C . 11319 1 787 . 1 1 72 72 SER CA C 13 58.411 0.300 . 1 . . . . 72 SER CA . 11319 1 788 . 1 1 72 72 SER CB C 13 64.169 0.300 . 1 . . . . 72 SER CB . 11319 1 789 . 1 1 72 72 SER N N 15 117.810 0.300 . 1 . . . . 72 SER N . 11319 1 stop_ save_