data_10246 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10246 _Entry.Title ; Solution structures of the C2H2 type zinc finger domain of human Transcriptional repressor CTCF ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-10-24 _Entry.Accession_date 2008-10-28 _Entry.Last_release_date 2009-11-03 _Entry.Original_release_date 2009-11-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _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 M. Sato . . . 10246 2 K. Saito . . . 10246 3 S. Koshiba . . . 10246 4 M. Inoue . . . 10246 5 T. Kigawa . . . 10246 6 S. Yokoyama . . . 10246 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10246 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10246 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 326 10246 '15N chemical shifts' 70 10246 '1H chemical shifts' 487 10246 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 . . 2009-11-03 2008-10-24 original author . 10246 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1X6H 'BMRB Entry Tracking System' 10246 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10246 _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 structures of the C2H2 type zinc finger domain of human Transcriptional repressor CTCF ; _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 M. Sato . . . 10246 1 2 K. Saito . . . 10246 1 3 S. Koshiba . . . 10246 1 4 M. Inoue . . . 10246 1 5 T. Kigawa . . . 10246 1 6 S. Yokoyama . . . 10246 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10246 _Assembly.ID 1 _Assembly.Name 'Transcriptional repressor CTCF' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions 2 _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 'Transcriptional repressor CTCF' 1 $entity_1 . . yes native no no . . . 10246 1 2 'ZINC ION No.1' 2 $ZN . . no native no no . . . 10246 1 3 'ZINC ION No.2' 2 $ZN . . no native no no . . . 10246 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 'C2H2 type zinc finger domain' 1 CYS 18 18 SG . 2 'ZINC ION No.1' 2 ZN 1 1 ZN . . 18 CYS SG . . . . ZN 10246 1 2 coordination single . 1 'C2H2 type zinc finger domain' 1 CYS 21 21 SG . 2 'ZINC ION No.1' 2 ZN 1 1 ZN . . 21 CYS SG . . . . ZN 10246 1 3 coordination single . 1 'C2H2 type zinc finger domain' 1 HIS 34 34 NE2 . 2 'ZINC ION No.1' 2 ZN 1 1 ZN . . 34 HIS NE2 . . . . ZN 10246 1 4 coordination single . 1 'C2H2 type zinc finger domain' 1 HIS 39 39 NE2 . 2 'ZINC ION No.1' 2 ZN 1 1 ZN . . 39 HIS NE2 . . . . ZN 10246 1 5 coordination single . 1 'C2H2 type zinc finger domain' 1 CYS 50 50 SG . 3 'ZINC ION No.2' 2 ZN 1 1 ZN . . 50 CYS SG . . . . ZN 10246 1 6 coordination single . 1 'C2H2 type zinc finger domain' 1 CYS 53 53 SG . 3 'ZINC ION No.2' 2 ZN 1 1 ZN . . 53 CYS SG . . . . ZN 10246 1 7 coordination single . 1 'C2H2 type zinc finger domain' 1 HIS 66 66 NE2 . 3 'ZINC ION No.2' 2 ZN 1 1 ZN . . 66 HIS NE2 . . . . ZN 10246 1 8 coordination single . 1 'C2H2 type zinc finger domain' 1 CYS 70 70 SG . 3 'ZINC ION No.2' 2 ZN 1 1 ZN . . 70 CYS SG . . . . ZN 10246 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 66 66 HE2 . 66 HIS HE2 10246 1 . . 1 1 CYS 70 70 HG . 70 CYS HG 10246 1 . . 1 1 CYS 50 50 HG . 50 CYS HG 10246 1 . . 1 1 CYS 53 53 HG . 53 CYS HG 10246 1 . . 1 1 HIS 34 34 HE2 . 34 HIS HE2 10246 1 . . 1 1 HIS 39 39 HE2 . 39 HIS HE2 10246 1 . . 1 1 CYS 18 18 HG . 18 CYS HG 10246 1 . . 1 1 CYS 21 21 HG . 21 CYS HG 10246 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 . PDB 1X6H . . . . . . 10246 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10246 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'C2H2 type zinc finger domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGRTHTGEKPYACSH CDKTFRQKQLLDMHFKRYHD PNFVPAAFVCSKCGKTFTRR NTMARHADNCAGPDGVEGEN SGPSSG ; _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 86 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1X6H . "Solution Structures Of The C2h2 Type Zinc Finger Domain Of Human Transcriptional Repressor Ctcf" . . . . . 100.00 86 100.00 100.00 4.43e-56 . . . . 10246 1 2 no DBJ BAE88629 . "unnamed protein product [Macaca fascicularis]" . . . . . 87.21 327 98.67 98.67 2.48e-46 . . . . 10246 1 3 no DBJ BAE90237 . "unnamed protein product [Macaca fascicularis]" . . . . . 87.21 218 98.67 98.67 4.40e-49 . . . . 10246 1 4 no REF XP_003917105 . "PREDICTED: transcriptional repressor CTCF-like isoform X1 [Papio anubis]" . . . . . 87.21 218 98.67 98.67 4.40e-49 . . . . 10246 1 5 no REF XP_009194954 . "PREDICTED: transcriptional repressor CTCF-like isoform X2 [Papio anubis]" . . . . . 87.21 216 98.67 98.67 4.25e-49 . . . . 10246 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'C2H2 type zinc finger domain' . 10246 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 . 10246 1 2 . SER . 10246 1 3 . SER . 10246 1 4 . GLY . 10246 1 5 . SER . 10246 1 6 . SER . 10246 1 7 . GLY . 10246 1 8 . ARG . 10246 1 9 . THR . 10246 1 10 . HIS . 10246 1 11 . THR . 10246 1 12 . GLY . 10246 1 13 . GLU . 10246 1 14 . LYS . 10246 1 15 . PRO . 10246 1 16 . TYR . 10246 1 17 . ALA . 10246 1 18 . CYS . 10246 1 19 . SER . 10246 1 20 . HIS . 10246 1 21 . CYS . 10246 1 22 . ASP . 10246 1 23 . LYS . 10246 1 24 . THR . 10246 1 25 . PHE . 10246 1 26 . ARG . 10246 1 27 . GLN . 10246 1 28 . LYS . 10246 1 29 . GLN . 10246 1 30 . LEU . 10246 1 31 . LEU . 10246 1 32 . ASP . 10246 1 33 . MET . 10246 1 34 . HIS . 10246 1 35 . PHE . 10246 1 36 . LYS . 10246 1 37 . ARG . 10246 1 38 . TYR . 10246 1 39 . HIS . 10246 1 40 . ASP . 10246 1 41 . PRO . 10246 1 42 . ASN . 10246 1 43 . PHE . 10246 1 44 . VAL . 10246 1 45 . PRO . 10246 1 46 . ALA . 10246 1 47 . ALA . 10246 1 48 . PHE . 10246 1 49 . VAL . 10246 1 50 . CYS . 10246 1 51 . SER . 10246 1 52 . LYS . 10246 1 53 . CYS . 10246 1 54 . GLY . 10246 1 55 . LYS . 10246 1 56 . THR . 10246 1 57 . PHE . 10246 1 58 . THR . 10246 1 59 . ARG . 10246 1 60 . ARG . 10246 1 61 . ASN . 10246 1 62 . THR . 10246 1 63 . MET . 10246 1 64 . ALA . 10246 1 65 . ARG . 10246 1 66 . HIS . 10246 1 67 . ALA . 10246 1 68 . ASP . 10246 1 69 . ASN . 10246 1 70 . CYS . 10246 1 71 . ALA . 10246 1 72 . GLY . 10246 1 73 . PRO . 10246 1 74 . ASP . 10246 1 75 . GLY . 10246 1 76 . VAL . 10246 1 77 . GLU . 10246 1 78 . GLY . 10246 1 79 . GLU . 10246 1 80 . ASN . 10246 1 81 . SER . 10246 1 82 . GLY . 10246 1 83 . PRO . 10246 1 84 . SER . 10246 1 85 . SER . 10246 1 86 . GLY . 10246 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 10246 1 . SER 2 2 10246 1 . SER 3 3 10246 1 . GLY 4 4 10246 1 . SER 5 5 10246 1 . SER 6 6 10246 1 . GLY 7 7 10246 1 . ARG 8 8 10246 1 . THR 9 9 10246 1 . HIS 10 10 10246 1 . THR 11 11 10246 1 . GLY 12 12 10246 1 . GLU 13 13 10246 1 . LYS 14 14 10246 1 . PRO 15 15 10246 1 . TYR 16 16 10246 1 . ALA 17 17 10246 1 . CYS 18 18 10246 1 . SER 19 19 10246 1 . HIS 20 20 10246 1 . CYS 21 21 10246 1 . ASP 22 22 10246 1 . LYS 23 23 10246 1 . THR 24 24 10246 1 . PHE 25 25 10246 1 . ARG 26 26 10246 1 . GLN 27 27 10246 1 . LYS 28 28 10246 1 . GLN 29 29 10246 1 . LEU 30 30 10246 1 . LEU 31 31 10246 1 . ASP 32 32 10246 1 . MET 33 33 10246 1 . HIS 34 34 10246 1 . PHE 35 35 10246 1 . LYS 36 36 10246 1 . ARG 37 37 10246 1 . TYR 38 38 10246 1 . HIS 39 39 10246 1 . ASP 40 40 10246 1 . PRO 41 41 10246 1 . ASN 42 42 10246 1 . PHE 43 43 10246 1 . VAL 44 44 10246 1 . PRO 45 45 10246 1 . ALA 46 46 10246 1 . ALA 47 47 10246 1 . PHE 48 48 10246 1 . VAL 49 49 10246 1 . CYS 50 50 10246 1 . SER 51 51 10246 1 . LYS 52 52 10246 1 . CYS 53 53 10246 1 . GLY 54 54 10246 1 . LYS 55 55 10246 1 . THR 56 56 10246 1 . PHE 57 57 10246 1 . THR 58 58 10246 1 . ARG 59 59 10246 1 . ARG 60 60 10246 1 . ASN 61 61 10246 1 . THR 62 62 10246 1 . MET 63 63 10246 1 . ALA 64 64 10246 1 . ARG 65 65 10246 1 . HIS 66 66 10246 1 . ALA 67 67 10246 1 . ASP 68 68 10246 1 . ASN 69 69 10246 1 . CYS 70 70 10246 1 . ALA 71 71 10246 1 . GLY 72 72 10246 1 . PRO 73 73 10246 1 . ASP 74 74 10246 1 . GLY 75 75 10246 1 . VAL 76 76 10246 1 . GLU 77 77 10246 1 . GLY 78 78 10246 1 . GLU 79 79 10246 1 . ASN 80 80 10246 1 . SER 81 81 10246 1 . GLY 82 82 10246 1 . PRO 83 83 10246 1 . SER 84 84 10246 1 . SER 85 85 10246 1 . GLY 86 86 10246 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 10246 _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _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 . 10246 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 10246 _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 . . . . . . . . . . . . . . . . . . . . . 10246 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 10246 _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' . . . . . . . . . . . . . . . . . . . plasmid . . P040719-09 . . . . . . 10246 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 10246 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _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 . _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 . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _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 Wed Dec 20 05:48:03 2006 ; _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 10246 ZN [Zn++] SMILES_CANONICAL CACTVS 2.87 10246 ZN [Zn+2] SMILES OpenEye/OEToolkits 1.4.2 10246 ZN [Zn+2] SMILES_CANONICAL OpenEye/OEToolkits 1.4.2 10246 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(+2) cation' 'SYSTEMATIC NAME' OpenEye/Lexichem 1.4 10246 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 . . . . . . . . . . . . . . . 10246 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10246 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'C2H2 type zinc finger domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.5 . . mM . . . . 10246 1 2 'd-Tris HCl' . . . . . . buffer 20 . . mM . . . . 10246 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10246 1 4 d-DTT . . . . . . salt 5 . . mM . . . . 10246 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10246 1 6 ZnCl2 . . . . . . salt 10 . . uM . . . . 10246 1 7 H2O . . . . . . solvent 90 . . % . . . . 10246 1 8 D2O . . . . . . solvent 10 . . % . . . . 10246 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 10246 _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 10246 1 pH 7.0 0.05 pH 10246 1 pressure 1 0.001 atm 10246 1 temperature 298 0.1 K 10246 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10246 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10246 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10246 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10246 _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' . . 10246 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10246 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10246 _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.' . . 10246 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10246 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10246 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9295 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10246 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10246 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10246 _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 'Guentert, P.' . . 10246 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10246 5 'structure solution' 10246 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 10246 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 10246 _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 . 700 . . . 10246 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 10246 _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 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10246 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10246 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 10246 _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 . . . . . . . . . 10246 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10246 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10246 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 10246 _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 13C-separated NOESY' 1 $sample_1 isotropic 10246 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10246 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 ARG HA H 1 4.432 0.030 . 1 . . . . 8 ARG HA . 10246 1 2 . 1 1 8 8 ARG HB2 H 1 1.853 0.030 . 2 . . . . 8 ARG HB2 . 10246 1 3 . 1 1 8 8 ARG HB3 H 1 1.757 0.030 . 2 . . . . 8 ARG HB3 . 10246 1 4 . 1 1 8 8 ARG HD2 H 1 3.202 0.030 . 2 . . . . 8 ARG HD2 . 10246 1 5 . 1 1 8 8 ARG HG2 H 1 1.610 0.030 . 1 . . . . 8 ARG HG2 . 10246 1 6 . 1 1 8 8 ARG HG3 H 1 1.610 0.030 . 1 . . . . 8 ARG HG3 . 10246 1 7 . 1 1 8 8 ARG CA C 13 56.069 0.300 . 1 . . . . 8 ARG CA . 10246 1 8 . 1 1 8 8 ARG CB C 13 30.974 0.300 . 1 . . . . 8 ARG CB . 10246 1 9 . 1 1 8 8 ARG CD C 13 43.396 0.300 . 1 . . . . 8 ARG CD . 10246 1 10 . 1 1 8 8 ARG CG C 13 27.079 0.300 . 1 . . . . 8 ARG CG . 10246 1 11 . 1 1 9 9 THR HG21 H 1 1.169 0.030 . 1 . . . . 9 THR HG2 . 10246 1 12 . 1 1 9 9 THR HG22 H 1 1.169 0.030 . 1 . . . . 9 THR HG2 . 10246 1 13 . 1 1 9 9 THR HG23 H 1 1.169 0.030 . 1 . . . . 9 THR HG2 . 10246 1 14 . 1 1 9 9 THR CB C 13 69.816 0.300 . 1 . . . . 9 THR CB . 10246 1 15 . 1 1 9 9 THR CG2 C 13 21.572 0.300 . 1 . . . . 9 THR CG2 . 10246 1 16 . 1 1 10 10 HIS HA H 1 4.730 0.030 . 1 . . . . 10 HIS HA . 10246 1 17 . 1 1 10 10 HIS HB2 H 1 3.156 0.030 . 2 . . . . 10 HIS HB2 . 10246 1 18 . 1 1 10 10 HIS HB3 H 1 3.095 0.030 . 2 . . . . 10 HIS HB3 . 10246 1 19 . 1 1 10 10 HIS HD2 H 1 7.017 0.030 . 1 . . . . 10 HIS HD2 . 10246 1 20 . 1 1 10 10 HIS HE1 H 1 7.818 0.030 . 1 . . . . 10 HIS HE1 . 10246 1 21 . 1 1 10 10 HIS CA C 13 56.345 0.300 . 1 . . . . 10 HIS CA . 10246 1 22 . 1 1 10 10 HIS CB C 13 31.058 0.300 . 1 . . . . 10 HIS CB . 10246 1 23 . 1 1 10 10 HIS CD2 C 13 120.059 0.300 . 1 . . . . 10 HIS CD2 . 10246 1 24 . 1 1 10 10 HIS CE1 C 13 138.475 0.300 . 1 . . . . 10 HIS CE1 . 10246 1 25 . 1 1 11 11 THR HG21 H 1 1.169 0.030 . 1 . . . . 11 THR HG2 . 10246 1 26 . 1 1 11 11 THR HG22 H 1 1.169 0.030 . 1 . . . . 11 THR HG2 . 10246 1 27 . 1 1 11 11 THR HG23 H 1 1.169 0.030 . 1 . . . . 11 THR HG2 . 10246 1 28 . 1 1 11 11 THR CB C 13 69.816 0.300 . 1 . . . . 11 THR CB . 10246 1 29 . 1 1 11 11 THR CG2 C 13 21.572 0.300 . 1 . . . . 11 THR CG2 . 10246 1 30 . 1 1 12 12 GLY HA2 H 1 3.978 0.030 . 2 . . . . 12 GLY HA2 . 10246 1 31 . 1 1 12 12 GLY HA3 H 1 3.978 0.030 . 2 . . . . 12 GLY HA3 . 10246 1 32 . 1 1 12 12 GLY CA C 13 45.442 0.300 . 1 . . . . 12 GLY CA . 10246 1 33 . 1 1 13 13 GLU H H 1 8.243 0.030 . 1 . . . . 13 GLU H . 10246 1 34 . 1 1 13 13 GLU HA H 1 4.235 0.030 . 1 . . . . 13 GLU HA . 10246 1 35 . 1 1 13 13 GLU HB2 H 1 2.037 0.030 . 2 . . . . 13 GLU HB2 . 10246 1 36 . 1 1 13 13 GLU HB3 H 1 1.937 0.030 . 2 . . . . 13 GLU HB3 . 10246 1 37 . 1 1 13 13 GLU HG2 H 1 2.275 0.030 . 1 . . . . 13 GLU HG2 . 10246 1 38 . 1 1 13 13 GLU HG3 H 1 2.275 0.030 . 1 . . . . 13 GLU HG3 . 10246 1 39 . 1 1 13 13 GLU CA C 13 56.898 0.300 . 1 . . . . 13 GLU CA . 10246 1 40 . 1 1 13 13 GLU CB C 13 30.495 0.300 . 1 . . . . 13 GLU CB . 10246 1 41 . 1 1 13 13 GLU CG C 13 36.461 0.300 . 1 . . . . 13 GLU CG . 10246 1 42 . 1 1 13 13 GLU N N 15 120.364 0.300 . 1 . . . . 13 GLU N . 10246 1 43 . 1 1 14 14 LYS H H 1 8.276 0.030 . 1 . . . . 14 LYS H . 10246 1 44 . 1 1 14 14 LYS HA H 1 4.528 0.030 . 1 . . . . 14 LYS HA . 10246 1 45 . 1 1 14 14 LYS HB2 H 1 1.620 0.030 . 2 . . . . 14 LYS HB2 . 10246 1 46 . 1 1 14 14 LYS HB3 H 1 1.549 0.030 . 2 . . . . 14 LYS HB3 . 10246 1 47 . 1 1 14 14 LYS HD2 H 1 1.590 0.030 . 2 . . . . 14 LYS HD2 . 10246 1 48 . 1 1 14 14 LYS HD3 H 1 1.527 0.030 . 2 . . . . 14 LYS HD3 . 10246 1 49 . 1 1 14 14 LYS HE2 H 1 2.912 0.030 . 1 . . . . 14 LYS HE2 . 10246 1 50 . 1 1 14 14 LYS HE3 H 1 2.912 0.030 . 1 . . . . 14 LYS HE3 . 10246 1 51 . 1 1 14 14 LYS HG2 H 1 1.342 0.030 . 2 . . . . 14 LYS HG2 . 10246 1 52 . 1 1 14 14 LYS HG3 H 1 1.216 0.030 . 2 . . . . 14 LYS HG3 . 10246 1 53 . 1 1 14 14 LYS CA C 13 54.009 0.300 . 1 . . . . 14 LYS CA . 10246 1 54 . 1 1 14 14 LYS CB C 13 32.667 0.300 . 1 . . . . 14 LYS CB . 10246 1 55 . 1 1 14 14 LYS CD C 13 29.392 0.300 . 1 . . . . 14 LYS CD . 10246 1 56 . 1 1 14 14 LYS CE C 13 42.149 0.300 . 1 . . . . 14 LYS CE . 10246 1 57 . 1 1 14 14 LYS CG C 13 24.819 0.300 . 1 . . . . 14 LYS CG . 10246 1 58 . 1 1 14 14 LYS N N 15 121.981 0.300 . 1 . . . . 14 LYS N . 10246 1 59 . 1 1 15 15 PRO HA H 1 4.347 0.030 . 1 . . . . 15 PRO HA . 10246 1 60 . 1 1 15 15 PRO HB2 H 1 2.041 0.030 . 2 . . . . 15 PRO HB2 . 10246 1 61 . 1 1 15 15 PRO HB3 H 1 1.465 0.030 . 2 . . . . 15 PRO HB3 . 10246 1 62 . 1 1 15 15 PRO HD2 H 1 3.689 0.030 . 2 . . . . 15 PRO HD2 . 10246 1 63 . 1 1 15 15 PRO HD3 H 1 3.614 0.030 . 2 . . . . 15 PRO HD3 . 10246 1 64 . 1 1 15 15 PRO HG2 H 1 1.874 0.030 . 2 . . . . 15 PRO HG2 . 10246 1 65 . 1 1 15 15 PRO HG3 H 1 1.736 0.030 . 2 . . . . 15 PRO HG3 . 10246 1 66 . 1 1 15 15 PRO CA C 13 63.237 0.300 . 1 . . . . 15 PRO CA . 10246 1 67 . 1 1 15 15 PRO CB C 13 32.365 0.300 . 1 . . . . 15 PRO CB . 10246 1 68 . 1 1 15 15 PRO CD C 13 50.364 0.300 . 1 . . . . 15 PRO CD . 10246 1 69 . 1 1 15 15 PRO CG C 13 26.836 0.300 . 1 . . . . 15 PRO CG . 10246 1 70 . 1 1 16 16 TYR H H 1 8.234 0.030 . 1 . . . . 16 TYR H . 10246 1 71 . 1 1 16 16 TYR HA H 1 4.508 0.030 . 1 . . . . 16 TYR HA . 10246 1 72 . 1 1 16 16 TYR HB2 H 1 2.950 0.030 . 2 . . . . 16 TYR HB2 . 10246 1 73 . 1 1 16 16 TYR HB3 H 1 2.828 0.030 . 2 . . . . 16 TYR HB3 . 10246 1 74 . 1 1 16 16 TYR HD1 H 1 7.030 0.030 . 1 . . . . 16 TYR HD1 . 10246 1 75 . 1 1 16 16 TYR HD2 H 1 7.030 0.030 . 1 . . . . 16 TYR HD2 . 10246 1 76 . 1 1 16 16 TYR HE1 H 1 6.888 0.030 . 1 . . . . 16 TYR HE1 . 10246 1 77 . 1 1 16 16 TYR HE2 H 1 6.888 0.030 . 1 . . . . 16 TYR HE2 . 10246 1 78 . 1 1 16 16 TYR C C 13 174.453 0.300 . 1 . . . . 16 TYR C . 10246 1 79 . 1 1 16 16 TYR CA C 13 58.076 0.300 . 1 . . . . 16 TYR CA . 10246 1 80 . 1 1 16 16 TYR CB C 13 38.346 0.300 . 1 . . . . 16 TYR CB . 10246 1 81 . 1 1 16 16 TYR CD1 C 13 133.152 0.300 . 1 . . . . 16 TYR CD1 . 10246 1 82 . 1 1 16 16 TYR CD2 C 13 133.152 0.300 . 1 . . . . 16 TYR CD2 . 10246 1 83 . 1 1 16 16 TYR CE1 C 13 118.504 0.300 . 1 . . . . 16 TYR CE1 . 10246 1 84 . 1 1 16 16 TYR CE2 C 13 118.504 0.300 . 1 . . . . 16 TYR CE2 . 10246 1 85 . 1 1 16 16 TYR N N 15 118.751 0.300 . 1 . . . . 16 TYR N . 10246 1 86 . 1 1 17 17 ALA H H 1 8.567 0.030 . 1 . . . . 17 ALA H . 10246 1 87 . 1 1 17 17 ALA HA H 1 4.754 0.030 . 1 . . . . 17 ALA HA . 10246 1 88 . 1 1 17 17 ALA HB1 H 1 1.395 0.030 . 1 . . . . 17 ALA HB . 10246 1 89 . 1 1 17 17 ALA HB2 H 1 1.395 0.030 . 1 . . . . 17 ALA HB . 10246 1 90 . 1 1 17 17 ALA HB3 H 1 1.395 0.030 . 1 . . . . 17 ALA HB . 10246 1 91 . 1 1 17 17 ALA C C 13 176.249 0.300 . 1 . . . . 17 ALA C . 10246 1 92 . 1 1 17 17 ALA CA C 13 51.274 0.300 . 1 . . . . 17 ALA CA . 10246 1 93 . 1 1 17 17 ALA CB C 13 20.625 0.300 . 1 . . . . 17 ALA CB . 10246 1 94 . 1 1 17 17 ALA N N 15 127.897 0.300 . 1 . . . . 17 ALA N . 10246 1 95 . 1 1 18 18 CYS H H 1 8.464 0.030 . 1 . . . . 18 CYS H . 10246 1 96 . 1 1 18 18 CYS HA H 1 4.538 0.030 . 1 . . . . 18 CYS HA . 10246 1 97 . 1 1 18 18 CYS HB2 H 1 3.382 0.030 . 2 . . . . 18 CYS HB2 . 10246 1 98 . 1 1 18 18 CYS HB3 H 1 2.779 0.030 . 2 . . . . 18 CYS HB3 . 10246 1 99 . 1 1 18 18 CYS C C 13 175.739 0.300 . 1 . . . . 18 CYS C . 10246 1 100 . 1 1 18 18 CYS CA C 13 60.966 0.300 . 1 . . . . 18 CYS CA . 10246 1 101 . 1 1 18 18 CYS CB C 13 29.435 0.300 . 1 . . . . 18 CYS CB . 10246 1 102 . 1 1 18 18 CYS N N 15 125.366 0.300 . 1 . . . . 18 CYS N . 10246 1 103 . 1 1 19 19 SER H H 1 8.439 0.030 . 1 . . . . 19 SER H . 10246 1 104 . 1 1 19 19 SER HA H 1 4.426 0.030 . 1 . . . . 19 SER HA . 10246 1 105 . 1 1 19 19 SER HB2 H 1 4.131 0.030 . 2 . . . . 19 SER HB2 . 10246 1 106 . 1 1 19 19 SER HB3 H 1 3.940 0.030 . 2 . . . . 19 SER HB3 . 10246 1 107 . 1 1 19 19 SER C C 13 175.890 0.300 . 1 . . . . 19 SER C . 10246 1 108 . 1 1 19 19 SER CA C 13 60.085 0.300 . 1 . . . . 19 SER CA . 10246 1 109 . 1 1 19 19 SER CB C 13 64.097 0.300 . 1 . . . . 19 SER CB . 10246 1 110 . 1 1 19 19 SER N N 15 121.912 0.300 . 1 . . . . 19 SER N . 10246 1 111 . 1 1 20 20 HIS H H 1 9.949 0.030 . 1 . . . . 20 HIS H . 10246 1 112 . 1 1 20 20 HIS HA H 1 4.579 0.030 . 1 . . . . 20 HIS HA . 10246 1 113 . 1 1 20 20 HIS HB2 H 1 2.521 0.030 . 2 . . . . 20 HIS HB2 . 10246 1 114 . 1 1 20 20 HIS HB3 H 1 1.449 0.030 . 2 . . . . 20 HIS HB3 . 10246 1 115 . 1 1 20 20 HIS HD2 H 1 6.983 0.030 . 1 . . . . 20 HIS HD2 . 10246 1 116 . 1 1 20 20 HIS HE1 H 1 7.829 0.030 . 1 . . . . 20 HIS HE1 . 10246 1 117 . 1 1 20 20 HIS C C 13 174.670 0.300 . 1 . . . . 20 HIS C . 10246 1 118 . 1 1 20 20 HIS CA C 13 57.354 0.300 . 1 . . . . 20 HIS CA . 10246 1 119 . 1 1 20 20 HIS CB C 13 30.787 0.300 . 1 . . . . 20 HIS CB . 10246 1 120 . 1 1 20 20 HIS CD2 C 13 118.441 0.300 . 1 . . . . 20 HIS CD2 . 10246 1 121 . 1 1 20 20 HIS CE1 C 13 138.908 0.300 . 1 . . . . 20 HIS CE1 . 10246 1 122 . 1 1 20 20 HIS N N 15 126.154 0.300 . 1 . . . . 20 HIS N . 10246 1 123 . 1 1 21 21 CYS H H 1 7.972 0.030 . 1 . . . . 21 CYS H . 10246 1 124 . 1 1 21 21 CYS HA H 1 4.947 0.030 . 1 . . . . 21 CYS HA . 10246 1 125 . 1 1 21 21 CYS HB2 H 1 3.403 0.030 . 2 . . . . 21 CYS HB2 . 10246 1 126 . 1 1 21 21 CYS HB3 H 1 3.329 0.030 . 2 . . . . 21 CYS HB3 . 10246 1 127 . 1 1 21 21 CYS C C 13 172.879 0.300 . 1 . . . . 21 CYS C . 10246 1 128 . 1 1 21 21 CYS CA C 13 58.891 0.300 . 1 . . . . 21 CYS CA . 10246 1 129 . 1 1 21 21 CYS CB C 13 29.766 0.300 . 1 . . . . 21 CYS CB . 10246 1 130 . 1 1 21 21 CYS N N 15 119.638 0.300 . 1 . . . . 21 CYS N . 10246 1 131 . 1 1 22 22 ASP H H 1 8.167 0.030 . 1 . . . . 22 ASP H . 10246 1 132 . 1 1 22 22 ASP HA H 1 4.668 0.030 . 1 . . . . 22 ASP HA . 10246 1 133 . 1 1 22 22 ASP HB2 H 1 2.863 0.030 . 2 . . . . 22 ASP HB2 . 10246 1 134 . 1 1 22 22 ASP HB3 H 1 2.694 0.030 . 2 . . . . 22 ASP HB3 . 10246 1 135 . 1 1 22 22 ASP C C 13 176.857 0.300 . 1 . . . . 22 ASP C . 10246 1 136 . 1 1 22 22 ASP CA C 13 54.587 0.300 . 1 . . . . 22 ASP CA . 10246 1 137 . 1 1 22 22 ASP CB C 13 40.758 0.300 . 1 . . . . 22 ASP CB . 10246 1 138 . 1 1 22 22 ASP N N 15 115.180 0.300 . 1 . . . . 22 ASP N . 10246 1 139 . 1 1 23 23 LYS H H 1 8.407 0.030 . 1 . . . . 23 LYS H . 10246 1 140 . 1 1 23 23 LYS HA H 1 4.085 0.030 . 1 . . . . 23 LYS HA . 10246 1 141 . 1 1 23 23 LYS HB2 H 1 1.321 0.030 . 2 . . . . 23 LYS HB2 . 10246 1 142 . 1 1 23 23 LYS HB3 H 1 1.211 0.030 . 2 . . . . 23 LYS HB3 . 10246 1 143 . 1 1 23 23 LYS HD2 H 1 1.516 0.030 . 2 . . . . 23 LYS HD2 . 10246 1 144 . 1 1 23 23 LYS HD3 H 1 1.451 0.030 . 2 . . . . 23 LYS HD3 . 10246 1 145 . 1 1 23 23 LYS HE2 H 1 2.966 0.030 . 2 . . . . 23 LYS HE2 . 10246 1 146 . 1 1 23 23 LYS HG2 H 1 1.459 0.030 . 1 . . . . 23 LYS HG2 . 10246 1 147 . 1 1 23 23 LYS HG3 H 1 1.459 0.030 . 1 . . . . 23 LYS HG3 . 10246 1 148 . 1 1 23 23 LYS C C 13 175.732 0.300 . 1 . . . . 23 LYS C . 10246 1 149 . 1 1 23 23 LYS CA C 13 57.537 0.300 . 1 . . . . 23 LYS CA . 10246 1 150 . 1 1 23 23 LYS CB C 13 33.593 0.300 . 1 . . . . 23 LYS CB . 10246 1 151 . 1 1 23 23 LYS CD C 13 28.605 0.300 . 1 . . . . 23 LYS CD . 10246 1 152 . 1 1 23 23 LYS CE C 13 42.476 0.300 . 1 . . . . 23 LYS CE . 10246 1 153 . 1 1 23 23 LYS CG C 13 26.198 0.300 . 1 . . . . 23 LYS CG . 10246 1 154 . 1 1 23 23 LYS N N 15 122.302 0.300 . 1 . . . . 23 LYS N . 10246 1 155 . 1 1 24 24 THR H H 1 7.462 0.030 . 1 . . . . 24 THR H . 10246 1 156 . 1 1 24 24 THR HA H 1 5.018 0.030 . 1 . . . . 24 THR HA . 10246 1 157 . 1 1 24 24 THR HB H 1 3.960 0.030 . 1 . . . . 24 THR HB . 10246 1 158 . 1 1 24 24 THR HG21 H 1 1.089 0.030 . 1 . . . . 24 THR HG2 . 10246 1 159 . 1 1 24 24 THR HG22 H 1 1.089 0.030 . 1 . . . . 24 THR HG2 . 10246 1 160 . 1 1 24 24 THR HG23 H 1 1.089 0.030 . 1 . . . . 24 THR HG2 . 10246 1 161 . 1 1 24 24 THR C C 13 173.047 0.300 . 1 . . . . 24 THR C . 10246 1 162 . 1 1 24 24 THR CA C 13 59.500 0.300 . 1 . . . . 24 THR CA . 10246 1 163 . 1 1 24 24 THR CB C 13 71.795 0.300 . 1 . . . . 24 THR CB . 10246 1 164 . 1 1 24 24 THR CG2 C 13 21.668 0.300 . 1 . . . . 24 THR CG2 . 10246 1 165 . 1 1 24 24 THR N N 15 110.405 0.300 . 1 . . . . 24 THR N . 10246 1 166 . 1 1 25 25 PHE H H 1 8.750 0.030 . 1 . . . . 25 PHE H . 10246 1 167 . 1 1 25 25 PHE HA H 1 4.886 0.030 . 1 . . . . 25 PHE HA . 10246 1 168 . 1 1 25 25 PHE HB2 H 1 3.279 0.030 . 2 . . . . 25 PHE HB2 . 10246 1 169 . 1 1 25 25 PHE HB3 H 1 2.737 0.030 . 2 . . . . 25 PHE HB3 . 10246 1 170 . 1 1 25 25 PHE HD1 H 1 7.228 0.030 . 1 . . . . 25 PHE HD1 . 10246 1 171 . 1 1 25 25 PHE HD2 H 1 7.228 0.030 . 1 . . . . 25 PHE HD2 . 10246 1 172 . 1 1 25 25 PHE HE1 H 1 6.870 0.030 . 1 . . . . 25 PHE HE1 . 10246 1 173 . 1 1 25 25 PHE HE2 H 1 6.870 0.030 . 1 . . . . 25 PHE HE2 . 10246 1 174 . 1 1 25 25 PHE HZ H 1 6.210 0.030 . 1 . . . . 25 PHE HZ . 10246 1 175 . 1 1 25 25 PHE C C 13 175.982 0.300 . 1 . . . . 25 PHE C . 10246 1 176 . 1 1 25 25 PHE CA C 13 57.301 0.300 . 1 . . . . 25 PHE CA . 10246 1 177 . 1 1 25 25 PHE CB C 13 44.782 0.300 . 1 . . . . 25 PHE CB . 10246 1 178 . 1 1 25 25 PHE CD1 C 13 132.358 0.300 . 1 . . . . 25 PHE CD1 . 10246 1 179 . 1 1 25 25 PHE CD2 C 13 132.358 0.300 . 1 . . . . 25 PHE CD2 . 10246 1 180 . 1 1 25 25 PHE CE1 C 13 130.810 0.300 . 1 . . . . 25 PHE CE1 . 10246 1 181 . 1 1 25 25 PHE CE2 C 13 130.810 0.300 . 1 . . . . 25 PHE CE2 . 10246 1 182 . 1 1 25 25 PHE CZ C 13 129.216 0.300 . 1 . . . . 25 PHE CZ . 10246 1 183 . 1 1 25 25 PHE N N 15 116.161 0.300 . 1 . . . . 25 PHE N . 10246 1 184 . 1 1 26 26 ARG HA H 1 4.550 0.030 . 1 . . . . 26 ARG HA . 10246 1 185 . 1 1 26 26 ARG HB2 H 1 2.086 0.030 . 2 . . . . 26 ARG HB2 . 10246 1 186 . 1 1 26 26 ARG HB3 H 1 1.962 0.030 . 2 . . . . 26 ARG HB3 . 10246 1 187 . 1 1 26 26 ARG HD2 H 1 3.298 0.030 . 1 . . . . 26 ARG HD2 . 10246 1 188 . 1 1 26 26 ARG HD3 H 1 3.298 0.030 . 1 . . . . 26 ARG HD3 . 10246 1 189 . 1 1 26 26 ARG HG2 H 1 1.859 0.030 . 2 . . . . 26 ARG HG2 . 10246 1 190 . 1 1 26 26 ARG HG3 H 1 1.819 0.030 . 2 . . . . 26 ARG HG3 . 10246 1 191 . 1 1 26 26 ARG C C 13 175.820 0.300 . 1 . . . . 26 ARG C . 10246 1 192 . 1 1 26 26 ARG CA C 13 57.830 0.300 . 1 . . . . 26 ARG CA . 10246 1 193 . 1 1 26 26 ARG CB C 13 31.465 0.300 . 1 . . . . 26 ARG CB . 10246 1 194 . 1 1 26 26 ARG CD C 13 43.293 0.300 . 1 . . . . 26 ARG CD . 10246 1 195 . 1 1 26 26 ARG CG C 13 28.219 0.300 . 1 . . . . 26 ARG CG . 10246 1 196 . 1 1 27 27 GLN H H 1 7.052 0.030 . 1 . . . . 27 GLN H . 10246 1 197 . 1 1 27 27 GLN HA H 1 4.820 0.030 . 1 . . . . 27 GLN HA . 10246 1 198 . 1 1 27 27 GLN HB2 H 1 2.344 0.030 . 2 . . . . 27 GLN HB2 . 10246 1 199 . 1 1 27 27 GLN HB3 H 1 1.816 0.030 . 2 . . . . 27 GLN HB3 . 10246 1 200 . 1 1 27 27 GLN HE21 H 1 7.577 0.030 . 2 . . . . 27 GLN HE21 . 10246 1 201 . 1 1 27 27 GLN HE22 H 1 6.908 0.030 . 2 . . . . 27 GLN HE22 . 10246 1 202 . 1 1 27 27 GLN HG2 H 1 2.514 0.030 . 2 . . . . 27 GLN HG2 . 10246 1 203 . 1 1 27 27 GLN HG3 H 1 2.383 0.030 . 2 . . . . 27 GLN HG3 . 10246 1 204 . 1 1 27 27 GLN C C 13 175.929 0.300 . 1 . . . . 27 GLN C . 10246 1 205 . 1 1 27 27 GLN CA C 13 53.971 0.300 . 1 . . . . 27 GLN CA . 10246 1 206 . 1 1 27 27 GLN CB C 13 32.968 0.300 . 1 . . . . 27 GLN CB . 10246 1 207 . 1 1 27 27 GLN CG C 13 33.750 0.300 . 1 . . . . 27 GLN CG . 10246 1 208 . 1 1 27 27 GLN N N 15 111.833 0.300 . 1 . . . . 27 GLN N . 10246 1 209 . 1 1 27 27 GLN NE2 N 15 111.444 0.300 . 1 . . . . 27 GLN NE2 . 10246 1 210 . 1 1 28 28 LYS H H 1 8.616 0.030 . 1 . . . . 28 LYS H . 10246 1 211 . 1 1 28 28 LYS HA H 1 3.013 0.030 . 1 . . . . 28 LYS HA . 10246 1 212 . 1 1 28 28 LYS HB2 H 1 1.499 0.030 . 2 . . . . 28 LYS HB2 . 10246 1 213 . 1 1 28 28 LYS HB3 H 1 1.149 0.030 . 2 . . . . 28 LYS HB3 . 10246 1 214 . 1 1 28 28 LYS HD2 H 1 1.659 0.030 . 2 . . . . 28 LYS HD2 . 10246 1 215 . 1 1 28 28 LYS HD3 H 1 1.448 0.030 . 2 . . . . 28 LYS HD3 . 10246 1 216 . 1 1 28 28 LYS HE2 H 1 2.985 0.030 . 1 . . . . 28 LYS HE2 . 10246 1 217 . 1 1 28 28 LYS HE3 H 1 2.985 0.030 . 1 . . . . 28 LYS HE3 . 10246 1 218 . 1 1 28 28 LYS HG2 H 1 1.292 0.030 . 2 . . . . 28 LYS HG2 . 10246 1 219 . 1 1 28 28 LYS HG3 H 1 1.109 0.030 . 2 . . . . 28 LYS HG3 . 10246 1 220 . 1 1 28 28 LYS C C 13 177.891 0.300 . 1 . . . . 28 LYS C . 10246 1 221 . 1 1 28 28 LYS CA C 13 59.351 0.300 . 1 . . . . 28 LYS CA . 10246 1 222 . 1 1 28 28 LYS CB C 13 31.901 0.300 . 1 . . . . 28 LYS CB . 10246 1 223 . 1 1 28 28 LYS CD C 13 28.552 0.300 . 1 . . . . 28 LYS CD . 10246 1 224 . 1 1 28 28 LYS CE C 13 42.476 0.300 . 1 . . . . 28 LYS CE . 10246 1 225 . 1 1 28 28 LYS CG C 13 24.741 0.300 . 1 . . . . 28 LYS CG . 10246 1 226 . 1 1 28 28 LYS N N 15 127.969 0.300 . 1 . . . . 28 LYS N . 10246 1 227 . 1 1 29 29 GLN H H 1 9.039 0.030 . 1 . . . . 29 GLN H . 10246 1 228 . 1 1 29 29 GLN HA H 1 4.110 0.030 . 1 . . . . 29 GLN HA . 10246 1 229 . 1 1 29 29 GLN HB2 H 1 2.092 0.030 . 2 . . . . 29 GLN HB2 . 10246 1 230 . 1 1 29 29 GLN HB3 H 1 1.973 0.030 . 2 . . . . 29 GLN HB3 . 10246 1 231 . 1 1 29 29 GLN HE21 H 1 7.494 0.030 . 2 . . . . 29 GLN HE21 . 10246 1 232 . 1 1 29 29 GLN HE22 H 1 6.887 0.030 . 2 . . . . 29 GLN HE22 . 10246 1 233 . 1 1 29 29 GLN HG2 H 1 2.420 0.030 . 1 . . . . 29 GLN HG2 . 10246 1 234 . 1 1 29 29 GLN HG3 H 1 2.420 0.030 . 1 . . . . 29 GLN HG3 . 10246 1 235 . 1 1 29 29 GLN C C 13 178.275 0.300 . 1 . . . . 29 GLN C . 10246 1 236 . 1 1 29 29 GLN CA C 13 59.073 0.300 . 1 . . . . 29 GLN CA . 10246 1 237 . 1 1 29 29 GLN CB C 13 27.673 0.300 . 1 . . . . 29 GLN CB . 10246 1 238 . 1 1 29 29 GLN CG C 13 33.564 0.300 . 1 . . . . 29 GLN CG . 10246 1 239 . 1 1 29 29 GLN N N 15 116.426 0.300 . 1 . . . . 29 GLN N . 10246 1 240 . 1 1 29 29 GLN NE2 N 15 111.540 0.300 . 1 . . . . 29 GLN NE2 . 10246 1 241 . 1 1 30 30 LEU H H 1 6.687 0.030 . 1 . . . . 30 LEU H . 10246 1 242 . 1 1 30 30 LEU HA H 1 4.105 0.030 . 1 . . . . 30 LEU HA . 10246 1 243 . 1 1 30 30 LEU HB2 H 1 1.991 0.030 . 2 . . . . 30 LEU HB2 . 10246 1 244 . 1 1 30 30 LEU HB3 H 1 1.641 0.030 . 2 . . . . 30 LEU HB3 . 10246 1 245 . 1 1 30 30 LEU HD11 H 1 1.206 0.030 . 1 . . . . 30 LEU HD1 . 10246 1 246 . 1 1 30 30 LEU HD12 H 1 1.206 0.030 . 1 . . . . 30 LEU HD1 . 10246 1 247 . 1 1 30 30 LEU HD13 H 1 1.206 0.030 . 1 . . . . 30 LEU HD1 . 10246 1 248 . 1 1 30 30 LEU HD21 H 1 0.979 0.030 . 1 . . . . 30 LEU HD2 . 10246 1 249 . 1 1 30 30 LEU HD22 H 1 0.979 0.030 . 1 . . . . 30 LEU HD2 . 10246 1 250 . 1 1 30 30 LEU HD23 H 1 0.979 0.030 . 1 . . . . 30 LEU HD2 . 10246 1 251 . 1 1 30 30 LEU HG H 1 1.747 0.030 . 1 . . . . 30 LEU HG . 10246 1 252 . 1 1 30 30 LEU C C 13 179.455 0.300 . 1 . . . . 30 LEU C . 10246 1 253 . 1 1 30 30 LEU CA C 13 56.878 0.300 . 1 . . . . 30 LEU CA . 10246 1 254 . 1 1 30 30 LEU CB C 13 41.552 0.300 . 1 . . . . 30 LEU CB . 10246 1 255 . 1 1 30 30 LEU CD1 C 13 26.292 0.300 . 2 . . . . 30 LEU CD1 . 10246 1 256 . 1 1 30 30 LEU CD2 C 13 22.302 0.300 . 2 . . . . 30 LEU CD2 . 10246 1 257 . 1 1 30 30 LEU CG C 13 27.608 0.300 . 1 . . . . 30 LEU CG . 10246 1 258 . 1 1 30 30 LEU N N 15 116.469 0.300 . 1 . . . . 30 LEU N . 10246 1 259 . 1 1 31 31 LEU H H 1 6.875 0.030 . 1 . . . . 31 LEU H . 10246 1 260 . 1 1 31 31 LEU HA H 1 3.174 0.030 . 1 . . . . 31 LEU HA . 10246 1 261 . 1 1 31 31 LEU HB2 H 1 2.003 0.030 . 2 . . . . 31 LEU HB2 . 10246 1 262 . 1 1 31 31 LEU HB3 H 1 1.247 0.030 . 2 . . . . 31 LEU HB3 . 10246 1 263 . 1 1 31 31 LEU HD11 H 1 1.144 0.030 . 1 . . . . 31 LEU HD1 . 10246 1 264 . 1 1 31 31 LEU HD12 H 1 1.144 0.030 . 1 . . . . 31 LEU HD1 . 10246 1 265 . 1 1 31 31 LEU HD13 H 1 1.144 0.030 . 1 . . . . 31 LEU HD1 . 10246 1 266 . 1 1 31 31 LEU HD21 H 1 0.999 0.030 . 1 . . . . 31 LEU HD2 . 10246 1 267 . 1 1 31 31 LEU HD22 H 1 0.999 0.030 . 1 . . . . 31 LEU HD2 . 10246 1 268 . 1 1 31 31 LEU HD23 H 1 0.999 0.030 . 1 . . . . 31 LEU HD2 . 10246 1 269 . 1 1 31 31 LEU HG H 1 1.683 0.030 . 1 . . . . 31 LEU HG . 10246 1 270 . 1 1 31 31 LEU C C 13 177.599 0.300 . 1 . . . . 31 LEU C . 10246 1 271 . 1 1 31 31 LEU CA C 13 57.829 0.300 . 1 . . . . 31 LEU CA . 10246 1 272 . 1 1 31 31 LEU CB C 13 39.945 0.300 . 1 . . . . 31 LEU CB . 10246 1 273 . 1 1 31 31 LEU CD1 C 13 22.403 0.300 . 2 . . . . 31 LEU CD1 . 10246 1 274 . 1 1 31 31 LEU CD2 C 13 26.847 0.300 . 2 . . . . 31 LEU CD2 . 10246 1 275 . 1 1 31 31 LEU CG C 13 27.705 0.300 . 1 . . . . 31 LEU CG . 10246 1 276 . 1 1 31 31 LEU N N 15 122.863 0.300 . 1 . . . . 31 LEU N . 10246 1 277 . 1 1 32 32 ASP H H 1 8.429 0.030 . 1 . . . . 32 ASP H . 10246 1 278 . 1 1 32 32 ASP HA H 1 4.356 0.030 . 1 . . . . 32 ASP HA . 10246 1 279 . 1 1 32 32 ASP HB2 H 1 2.676 0.030 . 2 . . . . 32 ASP HB2 . 10246 1 280 . 1 1 32 32 ASP HB3 H 1 2.625 0.030 . 2 . . . . 32 ASP HB3 . 10246 1 281 . 1 1 32 32 ASP C C 13 179.142 0.300 . 1 . . . . 32 ASP C . 10246 1 282 . 1 1 32 32 ASP CA C 13 57.830 0.300 . 1 . . . . 32 ASP CA . 10246 1 283 . 1 1 32 32 ASP CB C 13 39.978 0.300 . 1 . . . . 32 ASP CB . 10246 1 284 . 1 1 32 32 ASP N N 15 120.350 0.300 . 1 . . . . 32 ASP N . 10246 1 285 . 1 1 33 33 MET H H 1 7.738 0.030 . 1 . . . . 33 MET H . 10246 1 286 . 1 1 33 33 MET HA H 1 4.167 0.030 . 1 . . . . 33 MET HA . 10246 1 287 . 1 1 33 33 MET HB2 H 1 2.105 0.030 . 1 . . . . 33 MET HB2 . 10246 1 288 . 1 1 33 33 MET HB3 H 1 2.105 0.030 . 1 . . . . 33 MET HB3 . 10246 1 289 . 1 1 33 33 MET HE1 H 1 2.100 0.030 . 1 . . . . 33 MET HE . 10246 1 290 . 1 1 33 33 MET HE2 H 1 2.100 0.030 . 1 . . . . 33 MET HE . 10246 1 291 . 1 1 33 33 MET HE3 H 1 2.100 0.030 . 1 . . . . 33 MET HE . 10246 1 292 . 1 1 33 33 MET HG2 H 1 2.744 0.030 . 2 . . . . 33 MET HG2 . 10246 1 293 . 1 1 33 33 MET HG3 H 1 2.640 0.030 . 2 . . . . 33 MET HG3 . 10246 1 294 . 1 1 33 33 MET C C 13 178.463 0.300 . 1 . . . . 33 MET C . 10246 1 295 . 1 1 33 33 MET CA C 13 58.454 0.300 . 1 . . . . 33 MET CA . 10246 1 296 . 1 1 33 33 MET CB C 13 32.924 0.300 . 1 . . . . 33 MET CB . 10246 1 297 . 1 1 33 33 MET CE C 13 17.055 0.300 . 1 . . . . 33 MET CE . 10246 1 298 . 1 1 33 33 MET CG C 13 32.090 0.300 . 1 . . . . 33 MET CG . 10246 1 299 . 1 1 33 33 MET N N 15 118.109 0.300 . 1 . . . . 33 MET N . 10246 1 300 . 1 1 34 34 HIS H H 1 7.632 0.030 . 1 . . . . 34 HIS H . 10246 1 301 . 1 1 34 34 HIS HA H 1 4.396 0.030 . 1 . . . . 34 HIS HA . 10246 1 302 . 1 1 34 34 HIS HB2 H 1 3.325 0.030 . 2 . . . . 34 HIS HB2 . 10246 1 303 . 1 1 34 34 HIS HB3 H 1 3.051 0.030 . 2 . . . . 34 HIS HB3 . 10246 1 304 . 1 1 34 34 HIS HD2 H 1 7.355 0.030 . 1 . . . . 34 HIS HD2 . 10246 1 305 . 1 1 34 34 HIS HE1 H 1 7.577 0.030 . 1 . . . . 34 HIS HE1 . 10246 1 306 . 1 1 34 34 HIS C C 13 176.258 0.300 . 1 . . . . 34 HIS C . 10246 1 307 . 1 1 34 34 HIS CA C 13 59.715 0.300 . 1 . . . . 34 HIS CA . 10246 1 308 . 1 1 34 34 HIS CB C 13 28.594 0.300 . 1 . . . . 34 HIS CB . 10246 1 309 . 1 1 34 34 HIS CD2 C 13 127.882 0.300 . 1 . . . . 34 HIS CD2 . 10246 1 310 . 1 1 34 34 HIS CE1 C 13 138.837 0.300 . 1 . . . . 34 HIS CE1 . 10246 1 311 . 1 1 34 34 HIS N N 15 120.242 0.300 . 1 . . . . 34 HIS N . 10246 1 312 . 1 1 35 35 PHE H H 1 9.373 0.030 . 1 . . . . 35 PHE H . 10246 1 313 . 1 1 35 35 PHE HA H 1 3.726 0.030 . 1 . . . . 35 PHE HA . 10246 1 314 . 1 1 35 35 PHE HB2 H 1 3.278 0.030 . 2 . . . . 35 PHE HB2 . 10246 1 315 . 1 1 35 35 PHE HB3 H 1 3.173 0.030 . 2 . . . . 35 PHE HB3 . 10246 1 316 . 1 1 35 35 PHE HD1 H 1 7.286 0.030 . 1 . . . . 35 PHE HD1 . 10246 1 317 . 1 1 35 35 PHE HD2 H 1 7.286 0.030 . 1 . . . . 35 PHE HD2 . 10246 1 318 . 1 1 35 35 PHE HE1 H 1 7.116 0.030 . 1 . . . . 35 PHE HE1 . 10246 1 319 . 1 1 35 35 PHE HE2 H 1 7.116 0.030 . 1 . . . . 35 PHE HE2 . 10246 1 320 . 1 1 35 35 PHE HZ H 1 6.829 0.030 . 1 . . . . 35 PHE HZ . 10246 1 321 . 1 1 35 35 PHE C C 13 178.043 0.300 . 1 . . . . 35 PHE C . 10246 1 322 . 1 1 35 35 PHE CA C 13 62.870 0.300 . 1 . . . . 35 PHE CA . 10246 1 323 . 1 1 35 35 PHE CB C 13 39.846 0.300 . 1 . . . . 35 PHE CB . 10246 1 324 . 1 1 35 35 PHE CD1 C 13 132.100 0.300 . 1 . . . . 35 PHE CD1 . 10246 1 325 . 1 1 35 35 PHE CD2 C 13 132.100 0.300 . 1 . . . . 35 PHE CD2 . 10246 1 326 . 1 1 35 35 PHE CE1 C 13 131.585 0.300 . 1 . . . . 35 PHE CE1 . 10246 1 327 . 1 1 35 35 PHE CE2 C 13 131.585 0.300 . 1 . . . . 35 PHE CE2 . 10246 1 328 . 1 1 35 35 PHE CZ C 13 129.679 0.300 . 1 . . . . 35 PHE CZ . 10246 1 329 . 1 1 35 35 PHE N N 15 121.691 0.300 . 1 . . . . 35 PHE N . 10246 1 330 . 1 1 36 36 LYS H H 1 7.861 0.030 . 1 . . . . 36 LYS H . 10246 1 331 . 1 1 36 36 LYS HA H 1 4.139 0.030 . 1 . . . . 36 LYS HA . 10246 1 332 . 1 1 36 36 LYS HB2 H 1 1.859 0.030 . 2 . . . . 36 LYS HB2 . 10246 1 333 . 1 1 36 36 LYS HB3 H 1 1.736 0.030 . 2 . . . . 36 LYS HB3 . 10246 1 334 . 1 1 36 36 LYS HD2 H 1 1.659 0.030 . 1 . . . . 36 LYS HD2 . 10246 1 335 . 1 1 36 36 LYS HD3 H 1 1.659 0.030 . 1 . . . . 36 LYS HD3 . 10246 1 336 . 1 1 36 36 LYS HE2 H 1 2.971 0.030 . 1 . . . . 36 LYS HE2 . 10246 1 337 . 1 1 36 36 LYS HE3 H 1 2.971 0.030 . 1 . . . . 36 LYS HE3 . 10246 1 338 . 1 1 36 36 LYS HG2 H 1 1.584 0.030 . 2 . . . . 36 LYS HG2 . 10246 1 339 . 1 1 36 36 LYS HG3 H 1 1.396 0.030 . 2 . . . . 36 LYS HG3 . 10246 1 340 . 1 1 36 36 LYS C C 13 176.843 0.300 . 1 . . . . 36 LYS C . 10246 1 341 . 1 1 36 36 LYS CA C 13 58.198 0.300 . 1 . . . . 36 LYS CA . 10246 1 342 . 1 1 36 36 LYS CB C 13 32.906 0.300 . 1 . . . . 36 LYS CB . 10246 1 343 . 1 1 36 36 LYS CD C 13 29.409 0.300 . 1 . . . . 36 LYS CD . 10246 1 344 . 1 1 36 36 LYS CE C 13 42.463 0.300 . 1 . . . . 36 LYS CE . 10246 1 345 . 1 1 36 36 LYS CG C 13 25.298 0.300 . 1 . . . . 36 LYS CG . 10246 1 346 . 1 1 36 36 LYS N N 15 118.022 0.300 . 1 . . . . 36 LYS N . 10246 1 347 . 1 1 37 37 ARG H H 1 7.298 0.030 . 1 . . . . 37 ARG H . 10246 1 348 . 1 1 37 37 ARG HA H 1 3.717 0.030 . 1 . . . . 37 ARG HA . 10246 1 349 . 1 1 37 37 ARG HB2 H 1 1.576 0.030 . 2 . . . . 37 ARG HB2 . 10246 1 350 . 1 1 37 37 ARG HB3 H 1 1.365 0.030 . 2 . . . . 37 ARG HB3 . 10246 1 351 . 1 1 37 37 ARG HD2 H 1 2.947 0.030 . 1 . . . . 37 ARG HD2 . 10246 1 352 . 1 1 37 37 ARG HD3 H 1 2.947 0.030 . 1 . . . . 37 ARG HD3 . 10246 1 353 . 1 1 37 37 ARG HG2 H 1 1.037 0.030 . 2 . . . . 37 ARG HG2 . 10246 1 354 . 1 1 37 37 ARG HG3 H 1 0.809 0.030 . 2 . . . . 37 ARG HG3 . 10246 1 355 . 1 1 37 37 ARG C C 13 177.872 0.300 . 1 . . . . 37 ARG C . 10246 1 356 . 1 1 37 37 ARG CA C 13 57.874 0.300 . 1 . . . . 37 ARG CA . 10246 1 357 . 1 1 37 37 ARG CB C 13 30.619 0.300 . 1 . . . . 37 ARG CB . 10246 1 358 . 1 1 37 37 ARG CD C 13 43.190 0.300 . 1 . . . . 37 ARG CD . 10246 1 359 . 1 1 37 37 ARG CG C 13 27.039 0.300 . 1 . . . . 37 ARG CG . 10246 1 360 . 1 1 37 37 ARG N N 15 114.740 0.300 . 1 . . . . 37 ARG N . 10246 1 361 . 1 1 38 38 TYR H H 1 7.779 0.030 . 1 . . . . 38 TYR H . 10246 1 362 . 1 1 38 38 TYR HA H 1 4.146 0.030 . 1 . . . . 38 TYR HA . 10246 1 363 . 1 1 38 38 TYR HB2 H 1 2.057 0.030 . 2 . . . . 38 TYR HB2 . 10246 1 364 . 1 1 38 38 TYR HB3 H 1 1.288 0.030 . 2 . . . . 38 TYR HB3 . 10246 1 365 . 1 1 38 38 TYR HD1 H 1 7.007 0.030 . 1 . . . . 38 TYR HD1 . 10246 1 366 . 1 1 38 38 TYR HD2 H 1 7.007 0.030 . 1 . . . . 38 TYR HD2 . 10246 1 367 . 1 1 38 38 TYR HE1 H 1 6.896 0.030 . 1 . . . . 38 TYR HE1 . 10246 1 368 . 1 1 38 38 TYR HE2 H 1 6.896 0.030 . 1 . . . . 38 TYR HE2 . 10246 1 369 . 1 1 38 38 TYR C C 13 176.160 0.300 . 1 . . . . 38 TYR C . 10246 1 370 . 1 1 38 38 TYR CA C 13 59.941 0.300 . 1 . . . . 38 TYR CA . 10246 1 371 . 1 1 38 38 TYR CB C 13 38.516 0.300 . 1 . . . . 38 TYR CB . 10246 1 372 . 1 1 38 38 TYR CD1 C 13 133.257 0.300 . 1 . . . . 38 TYR CD1 . 10246 1 373 . 1 1 38 38 TYR CD2 C 13 133.257 0.300 . 1 . . . . 38 TYR CD2 . 10246 1 374 . 1 1 38 38 TYR CE1 C 13 118.050 0.300 . 1 . . . . 38 TYR CE1 . 10246 1 375 . 1 1 38 38 TYR CE2 C 13 118.050 0.300 . 1 . . . . 38 TYR CE2 . 10246 1 376 . 1 1 38 38 TYR N N 15 112.257 0.300 . 1 . . . . 38 TYR N . 10246 1 377 . 1 1 39 39 HIS H H 1 7.679 0.030 . 1 . . . . 39 HIS H . 10246 1 378 . 1 1 39 39 HIS HA H 1 4.943 0.030 . 1 . . . . 39 HIS HA . 10246 1 379 . 1 1 39 39 HIS HB2 H 1 2.275 0.030 . 2 . . . . 39 HIS HB2 . 10246 1 380 . 1 1 39 39 HIS HB3 H 1 1.499 0.030 . 2 . . . . 39 HIS HB3 . 10246 1 381 . 1 1 39 39 HIS HD2 H 1 6.519 0.030 . 1 . . . . 39 HIS HD2 . 10246 1 382 . 1 1 39 39 HIS HE1 H 1 7.927 0.030 . 1 . . . . 39 HIS HE1 . 10246 1 383 . 1 1 39 39 HIS C C 13 173.845 0.300 . 1 . . . . 39 HIS C . 10246 1 384 . 1 1 39 39 HIS CA C 13 54.045 0.300 . 1 . . . . 39 HIS CA . 10246 1 385 . 1 1 39 39 HIS CB C 13 29.490 0.300 . 1 . . . . 39 HIS CB . 10246 1 386 . 1 1 39 39 HIS CD2 C 13 128.912 0.300 . 1 . . . . 39 HIS CD2 . 10246 1 387 . 1 1 39 39 HIS CE1 C 13 139.174 0.300 . 1 . . . . 39 HIS CE1 . 10246 1 388 . 1 1 39 39 HIS N N 15 114.679 0.300 . 1 . . . . 39 HIS N . 10246 1 389 . 1 1 40 40 ASP H H 1 7.317 0.030 . 1 . . . . 40 ASP H . 10246 1 390 . 1 1 40 40 ASP HA H 1 4.800 0.030 . 1 . . . . 40 ASP HA . 10246 1 391 . 1 1 40 40 ASP HB2 H 1 2.992 0.030 . 2 . . . . 40 ASP HB2 . 10246 1 392 . 1 1 40 40 ASP HB3 H 1 2.497 0.030 . 2 . . . . 40 ASP HB3 . 10246 1 393 . 1 1 40 40 ASP C C 13 175.035 0.300 . 1 . . . . 40 ASP C . 10246 1 394 . 1 1 40 40 ASP CA C 13 51.697 0.300 . 1 . . . . 40 ASP CA . 10246 1 395 . 1 1 40 40 ASP CB C 13 42.630 0.300 . 1 . . . . 40 ASP CB . 10246 1 396 . 1 1 40 40 ASP N N 15 119.125 0.300 . 1 . . . . 40 ASP N . 10246 1 397 . 1 1 41 41 PRO HA H 1 4.552 0.030 . 1 . . . . 41 PRO HA . 10246 1 398 . 1 1 41 41 PRO HB2 H 1 2.351 0.030 . 2 . . . . 41 PRO HB2 . 10246 1 399 . 1 1 41 41 PRO HB3 H 1 1.953 0.030 . 2 . . . . 41 PRO HB3 . 10246 1 400 . 1 1 41 41 PRO HD2 H 1 3.926 0.030 . 2 . . . . 41 PRO HD2 . 10246 1 401 . 1 1 41 41 PRO HD3 H 1 3.828 0.030 . 2 . . . . 41 PRO HD3 . 10246 1 402 . 1 1 41 41 PRO HG2 H 1 2.047 0.030 . 2 . . . . 41 PRO HG2 . 10246 1 403 . 1 1 41 41 PRO HG3 H 1 1.951 0.030 . 2 . . . . 41 PRO HG3 . 10246 1 404 . 1 1 41 41 PRO C C 13 177.331 0.300 . 1 . . . . 41 PRO C . 10246 1 405 . 1 1 41 41 PRO CA C 13 64.019 0.300 . 1 . . . . 41 PRO CA . 10246 1 406 . 1 1 41 41 PRO CB C 13 32.235 0.300 . 1 . . . . 41 PRO CB . 10246 1 407 . 1 1 41 41 PRO CD C 13 51.004 0.300 . 1 . . . . 41 PRO CD . 10246 1 408 . 1 1 41 41 PRO CG C 13 26.943 0.300 . 1 . . . . 41 PRO CG . 10246 1 409 . 1 1 42 42 ASN H H 1 8.484 0.030 . 1 . . . . 42 ASN H . 10246 1 410 . 1 1 42 42 ASN HA H 1 4.703 0.030 . 1 . . . . 42 ASN HA . 10246 1 411 . 1 1 42 42 ASN HB2 H 1 2.765 0.030 . 1 . . . . 42 ASN HB2 . 10246 1 412 . 1 1 42 42 ASN HB3 H 1 2.765 0.030 . 1 . . . . 42 ASN HB3 . 10246 1 413 . 1 1 42 42 ASN HD21 H 1 7.892 0.030 . 2 . . . . 42 ASN HD21 . 10246 1 414 . 1 1 42 42 ASN HD22 H 1 6.997 0.030 . 2 . . . . 42 ASN HD22 . 10246 1 415 . 1 1 42 42 ASN C C 13 174.879 0.300 . 1 . . . . 42 ASN C . 10246 1 416 . 1 1 42 42 ASN CA C 13 53.371 0.300 . 1 . . . . 42 ASN CA . 10246 1 417 . 1 1 42 42 ASN CB C 13 39.009 0.300 . 1 . . . . 42 ASN CB . 10246 1 418 . 1 1 42 42 ASN N N 15 116.107 0.300 . 1 . . . . 42 ASN N . 10246 1 419 . 1 1 42 42 ASN ND2 N 15 114.899 0.300 . 1 . . . . 42 ASN ND2 . 10246 1 420 . 1 1 43 43 PHE H H 1 7.741 0.030 . 1 . . . . 43 PHE H . 10246 1 421 . 1 1 43 43 PHE HA H 1 4.448 0.030 . 1 . . . . 43 PHE HA . 10246 1 422 . 1 1 43 43 PHE HB2 H 1 3.230 0.030 . 2 . . . . 43 PHE HB2 . 10246 1 423 . 1 1 43 43 PHE HB3 H 1 2.997 0.030 . 2 . . . . 43 PHE HB3 . 10246 1 424 . 1 1 43 43 PHE HD1 H 1 7.185 0.030 . 1 . . . . 43 PHE HD1 . 10246 1 425 . 1 1 43 43 PHE HD2 H 1 7.185 0.030 . 1 . . . . 43 PHE HD2 . 10246 1 426 . 1 1 43 43 PHE HE1 H 1 7.241 0.030 . 1 . . . . 43 PHE HE1 . 10246 1 427 . 1 1 43 43 PHE HE2 H 1 7.241 0.030 . 1 . . . . 43 PHE HE2 . 10246 1 428 . 1 1 43 43 PHE HZ H 1 7.214 0.030 . 1 . . . . 43 PHE HZ . 10246 1 429 . 1 1 43 43 PHE CA C 13 58.640 0.300 . 1 . . . . 43 PHE CA . 10246 1 430 . 1 1 43 43 PHE CB C 13 40.203 0.300 . 1 . . . . 43 PHE CB . 10246 1 431 . 1 1 43 43 PHE CD1 C 13 131.985 0.300 . 1 . . . . 43 PHE CD1 . 10246 1 432 . 1 1 43 43 PHE CD2 C 13 131.985 0.300 . 1 . . . . 43 PHE CD2 . 10246 1 433 . 1 1 43 43 PHE CE1 C 13 131.180 0.300 . 1 . . . . 43 PHE CE1 . 10246 1 434 . 1 1 43 43 PHE CE2 C 13 131.180 0.300 . 1 . . . . 43 PHE CE2 . 10246 1 435 . 1 1 43 43 PHE CZ C 13 129.765 0.300 . 1 . . . . 43 PHE CZ . 10246 1 436 . 1 1 43 43 PHE N N 15 121.284 0.300 . 1 . . . . 43 PHE N . 10246 1 437 . 1 1 44 44 VAL H H 1 7.718 0.030 . 1 . . . . 44 VAL H . 10246 1 438 . 1 1 44 44 VAL HA H 1 4.221 0.030 . 1 . . . . 44 VAL HA . 10246 1 439 . 1 1 44 44 VAL HB H 1 1.842 0.030 . 1 . . . . 44 VAL HB . 10246 1 440 . 1 1 44 44 VAL HG11 H 1 0.841 0.030 . 1 . . . . 44 VAL HG1 . 10246 1 441 . 1 1 44 44 VAL HG12 H 1 0.841 0.030 . 1 . . . . 44 VAL HG1 . 10246 1 442 . 1 1 44 44 VAL HG13 H 1 0.841 0.030 . 1 . . . . 44 VAL HG1 . 10246 1 443 . 1 1 44 44 VAL HG21 H 1 0.840 0.030 . 1 . . . . 44 VAL HG2 . 10246 1 444 . 1 1 44 44 VAL HG22 H 1 0.840 0.030 . 1 . . . . 44 VAL HG2 . 10246 1 445 . 1 1 44 44 VAL HG23 H 1 0.840 0.030 . 1 . . . . 44 VAL HG2 . 10246 1 446 . 1 1 44 44 VAL C C 13 173.190 0.300 . 1 . . . . 44 VAL C . 10246 1 447 . 1 1 44 44 VAL CA C 13 59.177 0.300 . 1 . . . . 44 VAL CA . 10246 1 448 . 1 1 44 44 VAL CB C 13 33.260 0.300 . 1 . . . . 44 VAL CB . 10246 1 449 . 1 1 44 44 VAL CG1 C 13 20.516 0.300 . 2 . . . . 44 VAL CG1 . 10246 1 450 . 1 1 44 44 VAL CG2 C 13 21.163 0.300 . 2 . . . . 44 VAL CG2 . 10246 1 451 . 1 1 44 44 VAL N N 15 126.832 0.300 . 1 . . . . 44 VAL N . 10246 1 452 . 1 1 45 45 PRO HA H 1 4.114 0.030 . 1 . . . . 45 PRO HA . 10246 1 453 . 1 1 45 45 PRO HB2 H 1 2.202 0.030 . 2 . . . . 45 PRO HB2 . 10246 1 454 . 1 1 45 45 PRO HB3 H 1 1.785 0.030 . 2 . . . . 45 PRO HB3 . 10246 1 455 . 1 1 45 45 PRO HD2 H 1 3.548 0.030 . 1 . . . . 45 PRO HD2 . 10246 1 456 . 1 1 45 45 PRO HD3 H 1 3.548 0.030 . 1 . . . . 45 PRO HD3 . 10246 1 457 . 1 1 45 45 PRO HG2 H 1 1.907 0.030 . 2 . . . . 45 PRO HG2 . 10246 1 458 . 1 1 45 45 PRO HG3 H 1 1.869 0.030 . 2 . . . . 45 PRO HG3 . 10246 1 459 . 1 1 45 45 PRO C C 13 176.031 0.300 . 1 . . . . 45 PRO C . 10246 1 460 . 1 1 45 45 PRO CA C 13 62.732 0.300 . 1 . . . . 45 PRO CA . 10246 1 461 . 1 1 45 45 PRO CB C 13 32.197 0.300 . 1 . . . . 45 PRO CB . 10246 1 462 . 1 1 45 45 PRO CD C 13 50.880 0.300 . 1 . . . . 45 PRO CD . 10246 1 463 . 1 1 45 45 PRO CG C 13 27.189 0.300 . 1 . . . . 45 PRO CG . 10246 1 464 . 1 1 46 46 ALA H H 1 8.199 0.030 . 1 . . . . 46 ALA H . 10246 1 465 . 1 1 46 46 ALA HA H 1 4.161 0.030 . 1 . . . . 46 ALA HA . 10246 1 466 . 1 1 46 46 ALA HB1 H 1 1.278 0.030 . 1 . . . . 46 ALA HB . 10246 1 467 . 1 1 46 46 ALA HB2 H 1 1.278 0.030 . 1 . . . . 46 ALA HB . 10246 1 468 . 1 1 46 46 ALA HB3 H 1 1.278 0.030 . 1 . . . . 46 ALA HB . 10246 1 469 . 1 1 46 46 ALA C C 13 176.631 0.300 . 1 . . . . 46 ALA C . 10246 1 470 . 1 1 46 46 ALA CA C 13 52.105 0.300 . 1 . . . . 46 ALA CA . 10246 1 471 . 1 1 46 46 ALA CB C 13 19.315 0.300 . 1 . . . . 46 ALA CB . 10246 1 472 . 1 1 46 46 ALA N N 15 124.122 0.300 . 1 . . . . 46 ALA N . 10246 1 473 . 1 1 47 47 ALA H H 1 7.755 0.030 . 1 . . . . 47 ALA H . 10246 1 474 . 1 1 47 47 ALA HA H 1 4.218 0.030 . 1 . . . . 47 ALA HA . 10246 1 475 . 1 1 47 47 ALA HB1 H 1 1.095 0.030 . 1 . . . . 47 ALA HB . 10246 1 476 . 1 1 47 47 ALA HB2 H 1 1.095 0.030 . 1 . . . . 47 ALA HB . 10246 1 477 . 1 1 47 47 ALA HB3 H 1 1.095 0.030 . 1 . . . . 47 ALA HB . 10246 1 478 . 1 1 47 47 ALA C C 13 176.322 0.300 . 1 . . . . 47 ALA C . 10246 1 479 . 1 1 47 47 ALA CA C 13 52.140 0.300 . 1 . . . . 47 ALA CA . 10246 1 480 . 1 1 47 47 ALA CB C 13 20.283 0.300 . 1 . . . . 47 ALA CB . 10246 1 481 . 1 1 47 47 ALA N N 15 121.689 0.300 . 1 . . . . 47 ALA N . 10246 1 482 . 1 1 48 48 PHE H H 1 8.323 0.030 . 1 . . . . 48 PHE H . 10246 1 483 . 1 1 48 48 PHE HA H 1 4.782 0.030 . 1 . . . . 48 PHE HA . 10246 1 484 . 1 1 48 48 PHE HB2 H 1 3.110 0.030 . 2 . . . . 48 PHE HB2 . 10246 1 485 . 1 1 48 48 PHE HB3 H 1 2.824 0.030 . 2 . . . . 48 PHE HB3 . 10246 1 486 . 1 1 48 48 PHE HD1 H 1 7.081 0.030 . 1 . . . . 48 PHE HD1 . 10246 1 487 . 1 1 48 48 PHE HD2 H 1 7.081 0.030 . 1 . . . . 48 PHE HD2 . 10246 1 488 . 1 1 48 48 PHE HE1 H 1 7.318 0.030 . 1 . . . . 48 PHE HE1 . 10246 1 489 . 1 1 48 48 PHE HE2 H 1 7.318 0.030 . 1 . . . . 48 PHE HE2 . 10246 1 490 . 1 1 48 48 PHE HZ H 1 7.315 0.030 . 1 . . . . 48 PHE HZ . 10246 1 491 . 1 1 48 48 PHE C C 13 174.258 0.300 . 1 . . . . 48 PHE C . 10246 1 492 . 1 1 48 48 PHE CA C 13 57.108 0.300 . 1 . . . . 48 PHE CA . 10246 1 493 . 1 1 48 48 PHE CB C 13 40.615 0.300 . 1 . . . . 48 PHE CB . 10246 1 494 . 1 1 48 48 PHE CD1 C 13 131.798 0.300 . 1 . . . . 48 PHE CD1 . 10246 1 495 . 1 1 48 48 PHE CD2 C 13 131.798 0.300 . 1 . . . . 48 PHE CD2 . 10246 1 496 . 1 1 48 48 PHE CE1 C 13 131.322 0.300 . 1 . . . . 48 PHE CE1 . 10246 1 497 . 1 1 48 48 PHE CE2 C 13 131.322 0.300 . 1 . . . . 48 PHE CE2 . 10246 1 498 . 1 1 48 48 PHE CZ C 13 130.040 0.300 . 1 . . . . 48 PHE CZ . 10246 1 499 . 1 1 48 48 PHE N N 15 118.583 0.300 . 1 . . . . 48 PHE N . 10246 1 500 . 1 1 49 49 VAL H H 1 8.584 0.030 . 1 . . . . 49 VAL H . 10246 1 501 . 1 1 49 49 VAL HA H 1 4.829 0.030 . 1 . . . . 49 VAL HA . 10246 1 502 . 1 1 49 49 VAL HB H 1 1.852 0.030 . 1 . . . . 49 VAL HB . 10246 1 503 . 1 1 49 49 VAL HG11 H 1 0.826 0.030 . 1 . . . . 49 VAL HG1 . 10246 1 504 . 1 1 49 49 VAL HG12 H 1 0.826 0.030 . 1 . . . . 49 VAL HG1 . 10246 1 505 . 1 1 49 49 VAL HG13 H 1 0.826 0.030 . 1 . . . . 49 VAL HG1 . 10246 1 506 . 1 1 49 49 VAL HG21 H 1 0.768 0.030 . 1 . . . . 49 VAL HG2 . 10246 1 507 . 1 1 49 49 VAL HG22 H 1 0.768 0.030 . 1 . . . . 49 VAL HG2 . 10246 1 508 . 1 1 49 49 VAL HG23 H 1 0.768 0.030 . 1 . . . . 49 VAL HG2 . 10246 1 509 . 1 1 49 49 VAL C C 13 175.667 0.300 . 1 . . . . 49 VAL C . 10246 1 510 . 1 1 49 49 VAL CA C 13 60.508 0.300 . 1 . . . . 49 VAL CA . 10246 1 511 . 1 1 49 49 VAL CB C 13 35.158 0.300 . 1 . . . . 49 VAL CB . 10246 1 512 . 1 1 49 49 VAL CG1 C 13 21.302 0.300 . 2 . . . . 49 VAL CG1 . 10246 1 513 . 1 1 49 49 VAL CG2 C 13 20.588 0.300 . 2 . . . . 49 VAL CG2 . 10246 1 514 . 1 1 49 49 VAL N N 15 123.555 0.300 . 1 . . . . 49 VAL N . 10246 1 515 . 1 1 50 50 CYS H H 1 9.170 0.030 . 1 . . . . 50 CYS H . 10246 1 516 . 1 1 50 50 CYS HA H 1 4.593 0.030 . 1 . . . . 50 CYS HA . 10246 1 517 . 1 1 50 50 CYS HB2 H 1 3.485 0.030 . 2 . . . . 50 CYS HB2 . 10246 1 518 . 1 1 50 50 CYS HB3 H 1 2.909 0.030 . 2 . . . . 50 CYS HB3 . 10246 1 519 . 1 1 50 50 CYS C C 13 177.661 0.300 . 1 . . . . 50 CYS C . 10246 1 520 . 1 1 50 50 CYS CA C 13 59.909 0.300 . 1 . . . . 50 CYS CA . 10246 1 521 . 1 1 50 50 CYS CB C 13 30.835 0.300 . 1 . . . . 50 CYS CB . 10246 1 522 . 1 1 50 50 CYS N N 15 128.866 0.300 . 1 . . . . 50 CYS N . 10246 1 523 . 1 1 51 51 SER H H 1 9.205 0.030 . 1 . . . . 51 SER H . 10246 1 524 . 1 1 51 51 SER HA H 1 4.271 0.030 . 1 . . . . 51 SER HA . 10246 1 525 . 1 1 51 51 SER HB2 H 1 4.059 0.030 . 1 . . . . 51 SER HB2 . 10246 1 526 . 1 1 51 51 SER HB3 H 1 4.059 0.030 . 1 . . . . 51 SER HB3 . 10246 1 527 . 1 1 51 51 SER C C 13 174.401 0.300 . 1 . . . . 51 SER C . 10246 1 528 . 1 1 51 51 SER CA C 13 60.890 0.300 . 1 . . . . 51 SER CA . 10246 1 529 . 1 1 51 51 SER CB C 13 63.231 0.300 . 1 . . . . 51 SER CB . 10246 1 530 . 1 1 51 51 SER N N 15 128.162 0.300 . 1 . . . . 51 SER N . 10246 1 531 . 1 1 52 52 LYS H H 1 9.118 0.030 . 1 . . . . 52 LYS H . 10246 1 532 . 1 1 52 52 LYS HA H 1 4.421 0.030 . 1 . . . . 52 LYS HA . 10246 1 533 . 1 1 52 52 LYS HB2 H 1 2.190 0.030 . 2 . . . . 52 LYS HB2 . 10246 1 534 . 1 1 52 52 LYS HB3 H 1 1.757 0.030 . 2 . . . . 52 LYS HB3 . 10246 1 535 . 1 1 52 52 LYS HD2 H 1 1.679 0.030 . 1 . . . . 52 LYS HD2 . 10246 1 536 . 1 1 52 52 LYS HD3 H 1 1.679 0.030 . 1 . . . . 52 LYS HD3 . 10246 1 537 . 1 1 52 52 LYS HE2 H 1 2.988 0.030 . 1 . . . . 52 LYS HE2 . 10246 1 538 . 1 1 52 52 LYS HE3 H 1 2.988 0.030 . 1 . . . . 52 LYS HE3 . 10246 1 539 . 1 1 52 52 LYS HG2 H 1 1.508 0.030 . 2 . . . . 52 LYS HG2 . 10246 1 540 . 1 1 52 52 LYS HG3 H 1 1.402 0.030 . 2 . . . . 52 LYS HG3 . 10246 1 541 . 1 1 52 52 LYS C C 13 177.831 0.300 . 1 . . . . 52 LYS C . 10246 1 542 . 1 1 52 52 LYS CA C 13 58.535 0.300 . 1 . . . . 52 LYS CA . 10246 1 543 . 1 1 52 52 LYS CB C 13 34.152 0.300 . 1 . . . . 52 LYS CB . 10246 1 544 . 1 1 52 52 LYS CD C 13 29.661 0.300 . 1 . . . . 52 LYS CD . 10246 1 545 . 1 1 52 52 LYS CE C 13 42.476 0.300 . 1 . . . . 52 LYS CE . 10246 1 546 . 1 1 52 52 LYS CG C 13 25.682 0.300 . 1 . . . . 52 LYS CG . 10246 1 547 . 1 1 52 52 LYS N N 15 123.970 0.300 . 1 . . . . 52 LYS N . 10246 1 548 . 1 1 53 53 CYS H H 1 8.241 0.030 . 1 . . . . 53 CYS H . 10246 1 549 . 1 1 53 53 CYS HA H 1 4.999 0.030 . 1 . . . . 53 CYS HA . 10246 1 550 . 1 1 53 53 CYS HB2 H 1 3.212 0.030 . 2 . . . . 53 CYS HB2 . 10246 1 551 . 1 1 53 53 CYS HB3 H 1 2.474 0.030 . 2 . . . . 53 CYS HB3 . 10246 1 552 . 1 1 53 53 CYS C C 13 176.529 0.300 . 1 . . . . 53 CYS C . 10246 1 553 . 1 1 53 53 CYS CA C 13 58.587 0.300 . 1 . . . . 53 CYS CA . 10246 1 554 . 1 1 53 53 CYS CB C 13 33.353 0.300 . 1 . . . . 53 CYS CB . 10246 1 555 . 1 1 53 53 CYS N N 15 115.684 0.300 . 1 . . . . 53 CYS N . 10246 1 556 . 1 1 54 54 GLY H H 1 8.290 0.030 . 1 . . . . 54 GLY H . 10246 1 557 . 1 1 54 54 GLY HA2 H 1 4.226 0.030 . 2 . . . . 54 GLY HA2 . 10246 1 558 . 1 1 54 54 GLY HA3 H 1 3.733 0.030 . 2 . . . . 54 GLY HA3 . 10246 1 559 . 1 1 54 54 GLY C C 13 173.761 0.300 . 1 . . . . 54 GLY C . 10246 1 560 . 1 1 54 54 GLY CA C 13 46.147 0.300 . 1 . . . . 54 GLY CA . 10246 1 561 . 1 1 54 54 GLY N N 15 113.723 0.300 . 1 . . . . 54 GLY N . 10246 1 562 . 1 1 55 55 LYS H H 1 8.598 0.030 . 1 . . . . 55 LYS H . 10246 1 563 . 1 1 55 55 LYS HA H 1 4.074 0.030 . 1 . . . . 55 LYS HA . 10246 1 564 . 1 1 55 55 LYS HB2 H 1 1.670 0.030 . 2 . . . . 55 LYS HB2 . 10246 1 565 . 1 1 55 55 LYS HB3 H 1 1.295 0.030 . 2 . . . . 55 LYS HB3 . 10246 1 566 . 1 1 55 55 LYS HD2 H 1 1.535 0.030 . 2 . . . . 55 LYS HD2 . 10246 1 567 . 1 1 55 55 LYS HD3 H 1 1.406 0.030 . 2 . . . . 55 LYS HD3 . 10246 1 568 . 1 1 55 55 LYS HE2 H 1 2.985 0.030 . 2 . . . . 55 LYS HE2 . 10246 1 569 . 1 1 55 55 LYS HE3 H 1 2.890 0.030 . 2 . . . . 55 LYS HE3 . 10246 1 570 . 1 1 55 55 LYS HG2 H 1 1.459 0.030 . 2 . . . . 55 LYS HG2 . 10246 1 571 . 1 1 55 55 LYS HG3 H 1 0.995 0.030 . 2 . . . . 55 LYS HG3 . 10246 1 572 . 1 1 55 55 LYS C C 13 174.748 0.300 . 1 . . . . 55 LYS C . 10246 1 573 . 1 1 55 55 LYS CA C 13 58.270 0.300 . 1 . . . . 55 LYS CA . 10246 1 574 . 1 1 55 55 LYS CB C 13 33.778 0.300 . 1 . . . . 55 LYS CB . 10246 1 575 . 1 1 55 55 LYS CD C 13 29.406 0.300 . 1 . . . . 55 LYS CD . 10246 1 576 . 1 1 55 55 LYS CE C 13 42.229 0.300 . 1 . . . . 55 LYS CE . 10246 1 577 . 1 1 55 55 LYS CG C 13 26.205 0.300 . 1 . . . . 55 LYS CG . 10246 1 578 . 1 1 55 55 LYS N N 15 124.175 0.300 . 1 . . . . 55 LYS N . 10246 1 579 . 1 1 56 56 THR H H 1 7.708 0.030 . 1 . . . . 56 THR H . 10246 1 580 . 1 1 56 56 THR HA H 1 5.028 0.030 . 1 . . . . 56 THR HA . 10246 1 581 . 1 1 56 56 THR HB H 1 3.978 0.030 . 1 . . . . 56 THR HB . 10246 1 582 . 1 1 56 56 THR HG21 H 1 1.125 0.030 . 1 . . . . 56 THR HG2 . 10246 1 583 . 1 1 56 56 THR HG22 H 1 1.125 0.030 . 1 . . . . 56 THR HG2 . 10246 1 584 . 1 1 56 56 THR HG23 H 1 1.125 0.030 . 1 . . . . 56 THR HG2 . 10246 1 585 . 1 1 56 56 THR C C 13 173.673 0.300 . 1 . . . . 56 THR C . 10246 1 586 . 1 1 56 56 THR CA C 13 60.779 0.300 . 1 . . . . 56 THR CA . 10246 1 587 . 1 1 56 56 THR CB C 13 70.823 0.300 . 1 . . . . 56 THR CB . 10246 1 588 . 1 1 56 56 THR CG2 C 13 21.961 0.300 . 1 . . . . 56 THR CG2 . 10246 1 589 . 1 1 56 56 THR N N 15 113.091 0.300 . 1 . . . . 56 THR N . 10246 1 590 . 1 1 57 57 PHE H H 1 8.944 0.030 . 1 . . . . 57 PHE H . 10246 1 591 . 1 1 57 57 PHE HA H 1 4.850 0.030 . 1 . . . . 57 PHE HA . 10246 1 592 . 1 1 57 57 PHE HB2 H 1 3.371 0.030 . 2 . . . . 57 PHE HB2 . 10246 1 593 . 1 1 57 57 PHE HB3 H 1 2.700 0.030 . 2 . . . . 57 PHE HB3 . 10246 1 594 . 1 1 57 57 PHE HD1 H 1 7.164 0.030 . 1 . . . . 57 PHE HD1 . 10246 1 595 . 1 1 57 57 PHE HD2 H 1 7.164 0.030 . 1 . . . . 57 PHE HD2 . 10246 1 596 . 1 1 57 57 PHE HE1 H 1 6.861 0.030 . 1 . . . . 57 PHE HE1 . 10246 1 597 . 1 1 57 57 PHE HE2 H 1 6.861 0.030 . 1 . . . . 57 PHE HE2 . 10246 1 598 . 1 1 57 57 PHE HZ H 1 6.088 0.030 . 1 . . . . 57 PHE HZ . 10246 1 599 . 1 1 57 57 PHE C C 13 175.764 0.300 . 1 . . . . 57 PHE C . 10246 1 600 . 1 1 57 57 PHE CA C 13 56.949 0.300 . 1 . . . . 57 PHE CA . 10246 1 601 . 1 1 57 57 PHE CB C 13 43.729 0.300 . 1 . . . . 57 PHE CB . 10246 1 602 . 1 1 57 57 PHE CD1 C 13 132.463 0.300 . 1 . . . . 57 PHE CD1 . 10246 1 603 . 1 1 57 57 PHE CD2 C 13 132.463 0.300 . 1 . . . . 57 PHE CD2 . 10246 1 604 . 1 1 57 57 PHE CE1 C 13 130.606 0.300 . 1 . . . . 57 PHE CE1 . 10246 1 605 . 1 1 57 57 PHE CE2 C 13 130.606 0.300 . 1 . . . . 57 PHE CE2 . 10246 1 606 . 1 1 57 57 PHE CZ C 13 128.616 0.300 . 1 . . . . 57 PHE CZ . 10246 1 607 . 1 1 57 57 PHE N N 15 119.958 0.300 . 1 . . . . 57 PHE N . 10246 1 608 . 1 1 58 58 THR HA H 1 4.629 0.030 . 1 . . . . 58 THR HA . 10246 1 609 . 1 1 58 58 THR HB H 1 4.512 0.030 . 1 . . . . 58 THR HB . 10246 1 610 . 1 1 58 58 THR HG21 H 1 1.314 0.030 . 1 . . . . 58 THR HG2 . 10246 1 611 . 1 1 58 58 THR HG22 H 1 1.314 0.030 . 1 . . . . 58 THR HG2 . 10246 1 612 . 1 1 58 58 THR HG23 H 1 1.314 0.030 . 1 . . . . 58 THR HG2 . 10246 1 613 . 1 1 58 58 THR CA C 13 62.738 0.300 . 1 . . . . 58 THR CA . 10246 1 614 . 1 1 58 58 THR CB C 13 69.810 0.300 . 1 . . . . 58 THR CB . 10246 1 615 . 1 1 58 58 THR CG2 C 13 22.287 0.300 . 1 . . . . 58 THR CG2 . 10246 1 616 . 1 1 59 59 ARG H H 1 7.422 0.030 . 1 . . . . 59 ARG H . 10246 1 617 . 1 1 59 59 ARG HA H 1 4.740 0.030 . 1 . . . . 59 ARG HA . 10246 1 618 . 1 1 59 59 ARG HB2 H 1 2.030 0.030 . 2 . . . . 59 ARG HB2 . 10246 1 619 . 1 1 59 59 ARG HB3 H 1 1.911 0.030 . 2 . . . . 59 ARG HB3 . 10246 1 620 . 1 1 59 59 ARG HD2 H 1 3.329 0.030 . 2 . . . . 59 ARG HD2 . 10246 1 621 . 1 1 59 59 ARG HD3 H 1 3.259 0.030 . 2 . . . . 59 ARG HD3 . 10246 1 622 . 1 1 59 59 ARG HG2 H 1 1.768 0.030 . 2 . . . . 59 ARG HG2 . 10246 1 623 . 1 1 59 59 ARG HG3 H 1 1.722 0.030 . 2 . . . . 59 ARG HG3 . 10246 1 624 . 1 1 59 59 ARG CA C 13 54.724 0.300 . 1 . . . . 59 ARG CA . 10246 1 625 . 1 1 59 59 ARG CB C 13 33.659 0.300 . 1 . . . . 59 ARG CB . 10246 1 626 . 1 1 59 59 ARG CD C 13 43.503 0.300 . 1 . . . . 59 ARG CD . 10246 1 627 . 1 1 59 59 ARG CG C 13 27.345 0.300 . 1 . . . . 59 ARG CG . 10246 1 628 . 1 1 59 59 ARG N N 15 118.359 0.300 . 1 . . . . 59 ARG N . 10246 1 629 . 1 1 60 60 ARG HA H 1 2.949 0.030 . 1 . . . . 60 ARG HA . 10246 1 630 . 1 1 60 60 ARG HB2 H 1 1.426 0.030 . 2 . . . . 60 ARG HB2 . 10246 1 631 . 1 1 60 60 ARG HB3 H 1 1.196 0.030 . 2 . . . . 60 ARG HB3 . 10246 1 632 . 1 1 60 60 ARG HD2 H 1 3.074 0.030 . 1 . . . . 60 ARG HD2 . 10246 1 633 . 1 1 60 60 ARG HD3 H 1 3.074 0.030 . 1 . . . . 60 ARG HD3 . 10246 1 634 . 1 1 60 60 ARG HG2 H 1 1.350 0.030 . 2 . . . . 60 ARG HG2 . 10246 1 635 . 1 1 60 60 ARG HG3 H 1 1.278 0.030 . 2 . . . . 60 ARG HG3 . 10246 1 636 . 1 1 60 60 ARG CA C 13 59.468 0.300 . 1 . . . . 60 ARG CA . 10246 1 637 . 1 1 60 60 ARG CB C 13 29.732 0.300 . 1 . . . . 60 ARG CB . 10246 1 638 . 1 1 60 60 ARG CD C 13 43.125 0.300 . 1 . . . . 60 ARG CD . 10246 1 639 . 1 1 60 60 ARG CG C 13 27.185 0.300 . 1 . . . . 60 ARG CG . 10246 1 640 . 1 1 61 61 ASN HA H 1 4.332 0.030 . 1 . . . . 61 ASN HA . 10246 1 641 . 1 1 61 61 ASN HB2 H 1 2.780 0.030 . 1 . . . . 61 ASN HB2 . 10246 1 642 . 1 1 61 61 ASN HB3 H 1 2.780 0.030 . 1 . . . . 61 ASN HB3 . 10246 1 643 . 1 1 61 61 ASN HD21 H 1 7.632 0.030 . 2 . . . . 61 ASN HD21 . 10246 1 644 . 1 1 61 61 ASN HD22 H 1 6.937 0.030 . 2 . . . . 61 ASN HD22 . 10246 1 645 . 1 1 61 61 ASN C C 13 177.497 0.300 . 1 . . . . 61 ASN C . 10246 1 646 . 1 1 61 61 ASN CA C 13 56.212 0.300 . 1 . . . . 61 ASN CA . 10246 1 647 . 1 1 61 61 ASN CB C 13 37.142 0.300 . 1 . . . . 61 ASN CB . 10246 1 648 . 1 1 61 61 ASN ND2 N 15 113.279 0.300 . 1 . . . . 61 ASN ND2 . 10246 1 649 . 1 1 62 62 THR H H 1 7.076 0.030 . 1 . . . . 62 THR H . 10246 1 650 . 1 1 62 62 THR HA H 1 3.893 0.030 . 1 . . . . 62 THR HA . 10246 1 651 . 1 1 62 62 THR HB H 1 4.202 0.030 . 1 . . . . 62 THR HB . 10246 1 652 . 1 1 62 62 THR HG21 H 1 1.383 0.030 . 1 . . . . 62 THR HG2 . 10246 1 653 . 1 1 62 62 THR HG22 H 1 1.383 0.030 . 1 . . . . 62 THR HG2 . 10246 1 654 . 1 1 62 62 THR HG23 H 1 1.383 0.030 . 1 . . . . 62 THR HG2 . 10246 1 655 . 1 1 62 62 THR C C 13 176.684 0.300 . 1 . . . . 62 THR C . 10246 1 656 . 1 1 62 62 THR CA C 13 65.025 0.300 . 1 . . . . 62 THR CA . 10246 1 657 . 1 1 62 62 THR CB C 13 68.112 0.300 . 1 . . . . 62 THR CB . 10246 1 658 . 1 1 62 62 THR CG2 C 13 23.609 0.300 . 1 . . . . 62 THR CG2 . 10246 1 659 . 1 1 62 62 THR N N 15 115.050 0.300 . 1 . . . . 62 THR N . 10246 1 660 . 1 1 63 63 MET H H 1 7.149 0.030 . 1 . . . . 63 MET H . 10246 1 661 . 1 1 63 63 MET HA H 1 2.545 0.030 . 1 . . . . 63 MET HA . 10246 1 662 . 1 1 63 63 MET HB2 H 1 2.067 0.030 . 2 . . . . 63 MET HB2 . 10246 1 663 . 1 1 63 63 MET HB3 H 1 1.603 0.030 . 2 . . . . 63 MET HB3 . 10246 1 664 . 1 1 63 63 MET HE1 H 1 2.139 0.030 . 1 . . . . 63 MET HE . 10246 1 665 . 1 1 63 63 MET HE2 H 1 2.139 0.030 . 1 . . . . 63 MET HE . 10246 1 666 . 1 1 63 63 MET HE3 H 1 2.139 0.030 . 1 . . . . 63 MET HE . 10246 1 667 . 1 1 63 63 MET HG2 H 1 2.249 0.030 . 1 . . . . 63 MET HG2 . 10246 1 668 . 1 1 63 63 MET HG3 H 1 2.249 0.030 . 1 . . . . 63 MET HG3 . 10246 1 669 . 1 1 63 63 MET C C 13 176.978 0.300 . 1 . . . . 63 MET C . 10246 1 670 . 1 1 63 63 MET CA C 13 58.791 0.300 . 1 . . . . 63 MET CA . 10246 1 671 . 1 1 63 63 MET CB C 13 31.556 0.300 . 1 . . . . 63 MET CB . 10246 1 672 . 1 1 63 63 MET CE C 13 17.755 0.300 . 1 . . . . 63 MET CE . 10246 1 673 . 1 1 63 63 MET CG C 13 31.596 0.300 . 1 . . . . 63 MET CG . 10246 1 674 . 1 1 63 63 MET N N 15 122.700 0.300 . 1 . . . . 63 MET N . 10246 1 675 . 1 1 64 64 ALA H H 1 8.383 0.030 . 1 . . . . 64 ALA H . 10246 1 676 . 1 1 64 64 ALA HA H 1 3.944 0.030 . 1 . . . . 64 ALA HA . 10246 1 677 . 1 1 64 64 ALA HB1 H 1 1.366 0.030 . 1 . . . . 64 ALA HB . 10246 1 678 . 1 1 64 64 ALA HB2 H 1 1.366 0.030 . 1 . . . . 64 ALA HB . 10246 1 679 . 1 1 64 64 ALA HB3 H 1 1.366 0.030 . 1 . . . . 64 ALA HB . 10246 1 680 . 1 1 64 64 ALA C C 13 179.879 0.300 . 1 . . . . 64 ALA C . 10246 1 681 . 1 1 64 64 ALA CA C 13 55.324 0.300 . 1 . . . . 64 ALA CA . 10246 1 682 . 1 1 64 64 ALA CB C 13 18.033 0.300 . 1 . . . . 64 ALA CB . 10246 1 683 . 1 1 64 64 ALA N N 15 122.001 0.300 . 1 . . . . 64 ALA N . 10246 1 684 . 1 1 65 65 ARG H H 1 7.574 0.030 . 1 . . . . 65 ARG H . 10246 1 685 . 1 1 65 65 ARG HA H 1 4.139 0.030 . 1 . . . . 65 ARG HA . 10246 1 686 . 1 1 65 65 ARG HB2 H 1 1.850 0.030 . 1 . . . . 65 ARG HB2 . 10246 1 687 . 1 1 65 65 ARG HB3 H 1 1.850 0.030 . 1 . . . . 65 ARG HB3 . 10246 1 688 . 1 1 65 65 ARG HD2 H 1 3.224 0.030 . 1 . . . . 65 ARG HD2 . 10246 1 689 . 1 1 65 65 ARG HD3 H 1 3.224 0.030 . 1 . . . . 65 ARG HD3 . 10246 1 690 . 1 1 65 65 ARG HG2 H 1 1.726 0.030 . 1 . . . . 65 ARG HG2 . 10246 1 691 . 1 1 65 65 ARG HG3 H 1 1.726 0.030 . 1 . . . . 65 ARG HG3 . 10246 1 692 . 1 1 65 65 ARG C C 13 178.946 0.300 . 1 . . . . 65 ARG C . 10246 1 693 . 1 1 65 65 ARG CA C 13 58.182 0.300 . 1 . . . . 65 ARG CA . 10246 1 694 . 1 1 65 65 ARG CB C 13 30.153 0.300 . 1 . . . . 65 ARG CB . 10246 1 695 . 1 1 65 65 ARG CD C 13 43.300 0.300 . 1 . . . . 65 ARG CD . 10246 1 696 . 1 1 65 65 ARG CG C 13 26.987 0.300 . 1 . . . . 65 ARG CG . 10246 1 697 . 1 1 65 65 ARG N N 15 116.551 0.300 . 1 . . . . 65 ARG N . 10246 1 698 . 1 1 66 66 HIS H H 1 7.455 0.030 . 1 . . . . 66 HIS H . 10246 1 699 . 1 1 66 66 HIS HA H 1 4.271 0.030 . 1 . . . . 66 HIS HA . 10246 1 700 . 1 1 66 66 HIS HB2 H 1 3.079 0.030 . 2 . . . . 66 HIS HB2 . 10246 1 701 . 1 1 66 66 HIS HB3 H 1 2.999 0.030 . 2 . . . . 66 HIS HB3 . 10246 1 702 . 1 1 66 66 HIS HD2 H 1 7.027 0.030 . 1 . . . . 66 HIS HD2 . 10246 1 703 . 1 1 66 66 HIS HE1 H 1 8.161 0.030 . 1 . . . . 66 HIS HE1 . 10246 1 704 . 1 1 66 66 HIS C C 13 177.633 0.300 . 1 . . . . 66 HIS C . 10246 1 705 . 1 1 66 66 HIS CA C 13 59.046 0.300 . 1 . . . . 66 HIS CA . 10246 1 706 . 1 1 66 66 HIS CB C 13 27.820 0.300 . 1 . . . . 66 HIS CB . 10246 1 707 . 1 1 66 66 HIS CD2 C 13 128.616 0.300 . 1 . . . . 66 HIS CD2 . 10246 1 708 . 1 1 66 66 HIS CE1 C 13 139.324 0.300 . 1 . . . . 66 HIS CE1 . 10246 1 709 . 1 1 66 66 HIS N N 15 118.483 0.300 . 1 . . . . 66 HIS N . 10246 1 710 . 1 1 67 67 ALA H H 1 8.869 0.030 . 1 . . . . 67 ALA H . 10246 1 711 . 1 1 67 67 ALA HA H 1 3.968 0.030 . 1 . . . . 67 ALA HA . 10246 1 712 . 1 1 67 67 ALA HB1 H 1 1.584 0.030 . 1 . . . . 67 ALA HB . 10246 1 713 . 1 1 67 67 ALA HB2 H 1 1.584 0.030 . 1 . . . . 67 ALA HB . 10246 1 714 . 1 1 67 67 ALA HB3 H 1 1.584 0.030 . 1 . . . . 67 ALA HB . 10246 1 715 . 1 1 67 67 ALA C C 13 179.374 0.300 . 1 . . . . 67 ALA C . 10246 1 716 . 1 1 67 67 ALA CA C 13 55.186 0.300 . 1 . . . . 67 ALA CA . 10246 1 717 . 1 1 67 67 ALA CB C 13 18.851 0.300 . 1 . . . . 67 ALA CB . 10246 1 718 . 1 1 67 67 ALA N N 15 122.114 0.300 . 1 . . . . 67 ALA N . 10246 1 719 . 1 1 68 68 ASP H H 1 7.476 0.030 . 1 . . . . 68 ASP H . 10246 1 720 . 1 1 68 68 ASP HA H 1 4.401 0.030 . 1 . . . . 68 ASP HA . 10246 1 721 . 1 1 68 68 ASP HB2 H 1 2.638 0.030 . 1 . . . . 68 ASP HB2 . 10246 1 722 . 1 1 68 68 ASP HB3 H 1 2.638 0.030 . 1 . . . . 68 ASP HB3 . 10246 1 723 . 1 1 68 68 ASP C C 13 176.580 0.300 . 1 . . . . 68 ASP C . 10246 1 724 . 1 1 68 68 ASP CA C 13 56.772 0.300 . 1 . . . . 68 ASP CA . 10246 1 725 . 1 1 68 68 ASP CB C 13 40.945 0.300 . 1 . . . . 68 ASP CB . 10246 1 726 . 1 1 68 68 ASP N N 15 116.466 0.300 . 1 . . . . 68 ASP N . 10246 1 727 . 1 1 69 69 ASN H H 1 7.227 0.030 . 1 . . . . 69 ASN H . 10246 1 728 . 1 1 69 69 ASN HA H 1 4.905 0.030 . 1 . . . . 69 ASN HA . 10246 1 729 . 1 1 69 69 ASN HB2 H 1 2.863 0.030 . 2 . . . . 69 ASN HB2 . 10246 1 730 . 1 1 69 69 ASN HB3 H 1 2.539 0.030 . 2 . . . . 69 ASN HB3 . 10246 1 731 . 1 1 69 69 ASN HD21 H 1 7.579 0.030 . 2 . . . . 69 ASN HD21 . 10246 1 732 . 1 1 69 69 ASN HD22 H 1 6.935 0.030 . 2 . . . . 69 ASN HD22 . 10246 1 733 . 1 1 69 69 ASN C C 13 173.603 0.300 . 1 . . . . 69 ASN C . 10246 1 734 . 1 1 69 69 ASN CA C 13 52.518 0.300 . 1 . . . . 69 ASN CA . 10246 1 735 . 1 1 69 69 ASN CB C 13 40.657 0.300 . 1 . . . . 69 ASN CB . 10246 1 736 . 1 1 69 69 ASN N N 15 114.158 0.300 . 1 . . . . 69 ASN N . 10246 1 737 . 1 1 69 69 ASN ND2 N 15 113.898 0.300 . 1 . . . . 69 ASN ND2 . 10246 1 738 . 1 1 70 70 CYS H H 1 7.201 0.030 . 1 . . . . 70 CYS H . 10246 1 739 . 1 1 70 70 CYS HA H 1 3.902 0.030 . 1 . . . . 70 CYS HA . 10246 1 740 . 1 1 70 70 CYS HB2 H 1 2.594 0.030 . 2 . . . . 70 CYS HB2 . 10246 1 741 . 1 1 70 70 CYS HB3 H 1 2.143 0.030 . 2 . . . . 70 CYS HB3 . 10246 1 742 . 1 1 70 70 CYS C C 13 175.424 0.300 . 1 . . . . 70 CYS C . 10246 1 743 . 1 1 70 70 CYS CA C 13 61.195 0.300 . 1 . . . . 70 CYS CA . 10246 1 744 . 1 1 70 70 CYS CB C 13 29.288 0.300 . 1 . . . . 70 CYS CB . 10246 1 745 . 1 1 70 70 CYS N N 15 124.154 0.300 . 1 . . . . 70 CYS N . 10246 1 746 . 1 1 71 71 ALA H H 1 8.783 0.030 . 1 . . . . 71 ALA H . 10246 1 747 . 1 1 71 71 ALA HA H 1 4.562 0.030 . 1 . . . . 71 ALA HA . 10246 1 748 . 1 1 71 71 ALA HB1 H 1 1.456 0.030 . 1 . . . . 71 ALA HB . 10246 1 749 . 1 1 71 71 ALA HB2 H 1 1.456 0.030 . 1 . . . . 71 ALA HB . 10246 1 750 . 1 1 71 71 ALA HB3 H 1 1.456 0.030 . 1 . . . . 71 ALA HB . 10246 1 751 . 1 1 71 71 ALA C C 13 177.513 0.300 . 1 . . . . 71 ALA C . 10246 1 752 . 1 1 71 71 ALA CA C 13 51.926 0.300 . 1 . . . . 71 ALA CA . 10246 1 753 . 1 1 71 71 ALA CB C 13 19.698 0.300 . 1 . . . . 71 ALA CB . 10246 1 754 . 1 1 71 71 ALA N N 15 131.493 0.300 . 1 . . . . 71 ALA N . 10246 1 755 . 1 1 72 72 GLY H H 1 8.645 0.030 . 1 . . . . 72 GLY H . 10246 1 756 . 1 1 72 72 GLY HA2 H 1 4.469 0.030 . 2 . . . . 72 GLY HA2 . 10246 1 757 . 1 1 72 72 GLY HA3 H 1 3.628 0.030 . 2 . . . . 72 GLY HA3 . 10246 1 758 . 1 1 72 72 GLY C C 13 171.320 0.300 . 1 . . . . 72 GLY C . 10246 1 759 . 1 1 72 72 GLY CA C 13 44.286 0.300 . 1 . . . . 72 GLY CA . 10246 1 760 . 1 1 72 72 GLY N N 15 110.083 0.300 . 1 . . . . 72 GLY N . 10246 1 761 . 1 1 73 73 PRO HA H 1 4.470 0.030 . 1 . . . . 73 PRO HA . 10246 1 762 . 1 1 73 73 PRO HB2 H 1 2.370 0.030 . 2 . . . . 73 PRO HB2 . 10246 1 763 . 1 1 73 73 PRO HB3 H 1 2.039 0.030 . 2 . . . . 73 PRO HB3 . 10246 1 764 . 1 1 73 73 PRO HD2 H 1 3.722 0.030 . 1 . . . . 73 PRO HD2 . 10246 1 765 . 1 1 73 73 PRO HD3 H 1 3.722 0.030 . 1 . . . . 73 PRO HD3 . 10246 1 766 . 1 1 73 73 PRO HG2 H 1 2.086 0.030 . 1 . . . . 73 PRO HG2 . 10246 1 767 . 1 1 73 73 PRO HG3 H 1 2.086 0.030 . 1 . . . . 73 PRO HG3 . 10246 1 768 . 1 1 73 73 PRO C C 13 176.905 0.300 . 1 . . . . 73 PRO C . 10246 1 769 . 1 1 73 73 PRO CA C 13 63.706 0.300 . 1 . . . . 73 PRO CA . 10246 1 770 . 1 1 73 73 PRO CB C 13 32.344 0.300 . 1 . . . . 73 PRO CB . 10246 1 771 . 1 1 73 73 PRO CD C 13 49.678 0.300 . 1 . . . . 73 PRO CD . 10246 1 772 . 1 1 73 73 PRO CG C 13 27.234 0.300 . 1 . . . . 73 PRO CG . 10246 1 773 . 1 1 74 74 ASP H H 1 8.506 0.030 . 1 . . . . 74 ASP H . 10246 1 774 . 1 1 74 74 ASP HA H 1 4.659 0.030 . 1 . . . . 74 ASP HA . 10246 1 775 . 1 1 74 74 ASP HB2 H 1 2.762 0.030 . 2 . . . . 74 ASP HB2 . 10246 1 776 . 1 1 74 74 ASP HB3 H 1 2.675 0.030 . 2 . . . . 74 ASP HB3 . 10246 1 777 . 1 1 74 74 ASP C C 13 176.869 0.300 . 1 . . . . 74 ASP C . 10246 1 778 . 1 1 74 74 ASP CA C 13 54.617 0.300 . 1 . . . . 74 ASP CA . 10246 1 779 . 1 1 74 74 ASP CB C 13 41.335 0.300 . 1 . . . . 74 ASP CB . 10246 1 780 . 1 1 74 74 ASP N N 15 120.155 0.300 . 1 . . . . 74 ASP N . 10246 1 781 . 1 1 75 75 GLY H H 1 8.257 0.030 . 1 . . . . 75 GLY H . 10246 1 782 . 1 1 75 75 GLY HA2 H 1 4.072 0.030 . 2 . . . . 75 GLY HA2 . 10246 1 783 . 1 1 75 75 GLY HA3 H 1 3.965 0.030 . 2 . . . . 75 GLY HA3 . 10246 1 784 . 1 1 75 75 GLY C C 13 174.256 0.300 . 1 . . . . 75 GLY C . 10246 1 785 . 1 1 75 75 GLY CA C 13 45.653 0.300 . 1 . . . . 75 GLY CA . 10246 1 786 . 1 1 75 75 GLY N N 15 108.913 0.300 . 1 . . . . 75 GLY N . 10246 1 787 . 1 1 76 76 VAL H H 1 8.079 0.030 . 1 . . . . 76 VAL H . 10246 1 788 . 1 1 76 76 VAL HA H 1 4.169 0.030 . 1 . . . . 76 VAL HA . 10246 1 789 . 1 1 76 76 VAL HB H 1 2.114 0.030 . 1 . . . . 76 VAL HB . 10246 1 790 . 1 1 76 76 VAL HG11 H 1 0.926 0.030 . 1 . . . . 76 VAL HG1 . 10246 1 791 . 1 1 76 76 VAL HG12 H 1 0.926 0.030 . 1 . . . . 76 VAL HG1 . 10246 1 792 . 1 1 76 76 VAL HG13 H 1 0.926 0.030 . 1 . . . . 76 VAL HG1 . 10246 1 793 . 1 1 76 76 VAL HG21 H 1 0.943 0.030 . 1 . . . . 76 VAL HG2 . 10246 1 794 . 1 1 76 76 VAL HG22 H 1 0.943 0.030 . 1 . . . . 76 VAL HG2 . 10246 1 795 . 1 1 76 76 VAL HG23 H 1 0.943 0.030 . 1 . . . . 76 VAL HG2 . 10246 1 796 . 1 1 76 76 VAL C C 13 176.347 0.300 . 1 . . . . 76 VAL C . 10246 1 797 . 1 1 76 76 VAL CA C 13 62.295 0.300 . 1 . . . . 76 VAL CA . 10246 1 798 . 1 1 76 76 VAL CB C 13 32.871 0.300 . 1 . . . . 76 VAL CB . 10246 1 799 . 1 1 76 76 VAL CG1 C 13 20.640 0.300 . 2 . . . . 76 VAL CG1 . 10246 1 800 . 1 1 76 76 VAL CG2 C 13 21.265 0.300 . 2 . . . . 76 VAL CG2 . 10246 1 801 . 1 1 76 76 VAL N N 15 119.508 0.300 . 1 . . . . 76 VAL N . 10246 1 802 . 1 1 77 77 GLU H H 1 8.619 0.030 . 1 . . . . 77 GLU H . 10246 1 803 . 1 1 77 77 GLU HA H 1 4.310 0.030 . 1 . . . . 77 GLU HA . 10246 1 804 . 1 1 77 77 GLU HB2 H 1 2.074 0.030 . 2 . . . . 77 GLU HB2 . 10246 1 805 . 1 1 77 77 GLU HB3 H 1 1.989 0.030 . 2 . . . . 77 GLU HB3 . 10246 1 806 . 1 1 77 77 GLU HG2 H 1 2.302 0.030 . 1 . . . . 77 GLU HG2 . 10246 1 807 . 1 1 77 77 GLU HG3 H 1 2.302 0.030 . 1 . . . . 77 GLU HG3 . 10246 1 808 . 1 1 77 77 GLU C C 13 177.046 0.300 . 1 . . . . 77 GLU C . 10246 1 809 . 1 1 77 77 GLU CA C 13 56.966 0.300 . 1 . . . . 77 GLU CA . 10246 1 810 . 1 1 77 77 GLU CB C 13 30.318 0.300 . 1 . . . . 77 GLU CB . 10246 1 811 . 1 1 77 77 GLU CG C 13 36.322 0.300 . 1 . . . . 77 GLU CG . 10246 1 812 . 1 1 77 77 GLU N N 15 125.001 0.300 . 1 . . . . 77 GLU N . 10246 1 813 . 1 1 78 78 GLY H H 1 8.446 0.030 . 1 . . . . 78 GLY H . 10246 1 814 . 1 1 78 78 GLY HA2 H 1 3.987 0.030 . 1 . . . . 78 GLY HA2 . 10246 1 815 . 1 1 78 78 GLY HA3 H 1 3.987 0.030 . 1 . . . . 78 GLY HA3 . 10246 1 816 . 1 1 78 78 GLY C C 13 174.238 0.300 . 1 . . . . 78 GLY C . 10246 1 817 . 1 1 78 78 GLY CA C 13 45.283 0.300 . 1 . . . . 78 GLY CA . 10246 1 818 . 1 1 78 78 GLY N N 15 110.357 0.300 . 1 . . . . 78 GLY N . 10246 1 819 . 1 1 79 79 GLU H H 1 8.313 0.030 . 1 . . . . 79 GLU H . 10246 1 820 . 1 1 79 79 GLU HA H 1 4.309 0.030 . 1 . . . . 79 GLU HA . 10246 1 821 . 1 1 79 79 GLU HB2 H 1 2.087 0.030 . 2 . . . . 79 GLU HB2 . 10246 1 822 . 1 1 79 79 GLU HB3 H 1 1.992 0.030 . 2 . . . . 79 GLU HB3 . 10246 1 823 . 1 1 79 79 GLU HG2 H 1 2.296 0.030 . 1 . . . . 79 GLU HG2 . 10246 1 824 . 1 1 79 79 GLU HG3 H 1 2.296 0.030 . 1 . . . . 79 GLU HG3 . 10246 1 825 . 1 1 79 79 GLU C C 13 176.509 0.300 . 1 . . . . 79 GLU C . 10246 1 826 . 1 1 79 79 GLU CA C 13 56.755 0.300 . 1 . . . . 79 GLU CA . 10246 1 827 . 1 1 79 79 GLU CB C 13 30.317 0.300 . 1 . . . . 79 GLU CB . 10246 1 828 . 1 1 79 79 GLU CG C 13 36.214 0.300 . 1 . . . . 79 GLU CG . 10246 1 829 . 1 1 79 79 GLU N N 15 120.638 0.300 . 1 . . . . 79 GLU N . 10246 1 830 . 1 1 80 80 ASN H H 1 8.588 0.030 . 1 . . . . 80 ASN H . 10246 1 831 . 1 1 80 80 ASN HA H 1 4.801 0.030 . 1 . . . . 80 ASN HA . 10246 1 832 . 1 1 80 80 ASN HB2 H 1 2.893 0.030 . 2 . . . . 80 ASN HB2 . 10246 1 833 . 1 1 80 80 ASN HB3 H 1 2.782 0.030 . 2 . . . . 80 ASN HB3 . 10246 1 834 . 1 1 80 80 ASN C C 13 175.202 0.300 . 1 . . . . 80 ASN C . 10246 1 835 . 1 1 80 80 ASN CA C 13 53.336 0.300 . 1 . . . . 80 ASN CA . 10246 1 836 . 1 1 80 80 ASN CB C 13 39.051 0.300 . 1 . . . . 80 ASN CB . 10246 1 837 . 1 1 80 80 ASN N N 15 119.808 0.300 . 1 . . . . 80 ASN N . 10246 1 838 . 1 1 81 81 SER H H 1 8.322 0.030 . 1 . . . . 81 SER H . 10246 1 839 . 1 1 81 81 SER HA H 1 4.517 0.030 . 1 . . . . 81 SER HA . 10246 1 840 . 1 1 81 81 SER HB2 H 1 3.893 0.030 . 1 . . . . 81 SER HB2 . 10246 1 841 . 1 1 81 81 SER HB3 H 1 3.893 0.030 . 1 . . . . 81 SER HB3 . 10246 1 842 . 1 1 81 81 SER C C 13 174.643 0.300 . 1 . . . . 81 SER C . 10246 1 843 . 1 1 81 81 SER CA C 13 58.499 0.300 . 1 . . . . 81 SER CA . 10246 1 844 . 1 1 81 81 SER CB C 13 64.056 0.300 . 1 . . . . 81 SER CB . 10246 1 845 . 1 1 81 81 SER N N 15 116.318 0.300 . 1 . . . . 81 SER N . 10246 1 846 . 1 1 82 82 GLY H H 1 8.303 0.030 . 1 . . . . 82 GLY H . 10246 1 847 . 1 1 82 82 GLY HA2 H 1 4.170 0.030 . 2 . . . . 82 GLY HA2 . 10246 1 848 . 1 1 82 82 GLY HA3 H 1 4.125 0.030 . 2 . . . . 82 GLY HA3 . 10246 1 849 . 1 1 82 82 GLY C C 13 171.855 0.300 . 1 . . . . 82 GLY C . 10246 1 850 . 1 1 82 82 GLY CA C 13 44.719 0.300 . 1 . . . . 82 GLY CA . 10246 1 851 . 1 1 82 82 GLY N N 15 110.706 0.300 . 1 . . . . 82 GLY N . 10246 1 852 . 1 1 83 83 PRO HA H 1 4.498 0.030 . 1 . . . . 83 PRO HA . 10246 1 853 . 1 1 83 83 PRO HB2 H 1 2.298 0.030 . 2 . . . . 83 PRO HB2 . 10246 1 854 . 1 1 83 83 PRO HB3 H 1 2.001 0.030 . 2 . . . . 83 PRO HB3 . 10246 1 855 . 1 1 83 83 PRO HD2 H 1 3.645 0.030 . 1 . . . . 83 PRO HD2 . 10246 1 856 . 1 1 83 83 PRO HD3 H 1 3.645 0.030 . 1 . . . . 83 PRO HD3 . 10246 1 857 . 1 1 83 83 PRO HG2 H 1 2.040 0.030 . 1 . . . . 83 PRO HG2 . 10246 1 858 . 1 1 83 83 PRO HG3 H 1 2.040 0.030 . 1 . . . . 83 PRO HG3 . 10246 1 859 . 1 1 83 83 PRO C C 13 177.459 0.300 . 1 . . . . 83 PRO C . 10246 1 860 . 1 1 83 83 PRO CA C 13 63.274 0.300 . 1 . . . . 83 PRO CA . 10246 1 861 . 1 1 83 83 PRO CB C 13 32.254 0.300 . 1 . . . . 83 PRO CB . 10246 1 862 . 1 1 83 83 PRO CD C 13 49.858 0.300 . 1 . . . . 83 PRO CD . 10246 1 863 . 1 1 83 83 PRO CG C 13 27.069 0.300 . 1 . . . . 83 PRO CG . 10246 1 864 . 1 1 84 84 SER H H 1 8.541 0.030 . 1 . . . . 84 SER H . 10246 1 865 . 1 1 84 84 SER HA H 1 4.508 0.030 . 1 . . . . 84 SER HA . 10246 1 866 . 1 1 84 84 SER HB2 H 1 3.930 0.030 . 1 . . . . 84 SER HB2 . 10246 1 867 . 1 1 84 84 SER HB3 H 1 3.930 0.030 . 1 . . . . 84 SER HB3 . 10246 1 868 . 1 1 84 84 SER C C 13 174.744 0.300 . 1 . . . . 84 SER C . 10246 1 869 . 1 1 84 84 SER CA C 13 58.412 0.300 . 1 . . . . 84 SER CA . 10246 1 870 . 1 1 84 84 SER CB C 13 64.056 0.300 . 1 . . . . 84 SER CB . 10246 1 871 . 1 1 84 84 SER N N 15 116.449 0.300 . 1 . . . . 84 SER N . 10246 1 872 . 1 1 85 85 SER H H 1 8.353 0.030 . 1 . . . . 85 SER H . 10246 1 873 . 1 1 85 85 SER HA H 1 4.517 0.030 . 1 . . . . 85 SER HA . 10246 1 874 . 1 1 85 85 SER HB2 H 1 3.912 0.030 . 1 . . . . 85 SER HB2 . 10246 1 875 . 1 1 85 85 SER HB3 H 1 3.912 0.030 . 1 . . . . 85 SER HB3 . 10246 1 876 . 1 1 85 85 SER C C 13 173.953 0.300 . 1 . . . . 85 SER C . 10246 1 877 . 1 1 85 85 SER CA C 13 58.492 0.300 . 1 . . . . 85 SER CA . 10246 1 878 . 1 1 85 85 SER CB C 13 64.138 0.300 . 1 . . . . 85 SER CB . 10246 1 879 . 1 1 85 85 SER N N 15 117.940 0.300 . 1 . . . . 85 SER N . 10246 1 880 . 1 1 86 86 GLY H H 1 8.062 0.030 . 1 . . . . 86 GLY H . 10246 1 881 . 1 1 86 86 GLY C C 13 179.042 0.300 . 1 . . . . 86 GLY C . 10246 1 882 . 1 1 86 86 GLY CA C 13 46.235 0.300 . 1 . . . . 86 GLY CA . 10246 1 883 . 1 1 86 86 GLY N N 15 116.861 0.300 . 1 . . . . 86 GLY N . 10246 1 stop_ save_