data_11287 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11287 _Entry.Title ; Solution structure of the C2H2 type zinc-binding domain of human zinc finger protein 292 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-09 _Entry.Accession_date 2010-08-09 _Entry.Last_release_date 2011-08-18 _Entry.Original_release_date 2011-08-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 M. Yoneyama . . . 11287 2 T. Tomizawa . . . 11287 3 N. Tochio . . . 11287 4 S. Koshiba . . . 11287 5 M. Inoue . . . 11287 6 T. Kigawa . . . 11287 7 S. Yokoyama . . . 11287 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11287 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11287 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 297 11287 '15N chemical shifts' 62 11287 '1H chemical shifts' 450 11287 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-08-18 2010-08-09 original author . 11287 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1X3C 'BMRB Entry Tracking System' 11287 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11287 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the C2H2 type zinc-binding domain of human zinc finger protein 292 ; _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. Yoneyama . . . 11287 1 2 T. Tomizawa . . . 11287 1 3 N. Tochio . . . 11287 1 4 S. Koshiba . . . 11287 1 5 M. Inoue . . . 11287 1 6 T. Kigawa . . . 11287 1 7 S. Yokoyama . . . 11287 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11287 _Assembly.ID 1 _Assembly.Name 'Zinc finger protein 292' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'C2H2 type zinc-binding domain' 1 $entity_1 A . yes native no no . . . 11287 1 2 'ZINC ION' 2 $ZN B . no native no no . . . 11287 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-binding domain' 1 CYS 30 30 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . . 30 CYS SG . . . . ZN 11287 1 2 coordination single . 1 'C2H2 type zinc-binding domain' 1 CYS 35 35 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . . 35 CYS SG . . . . ZN 11287 1 3 coordination single . 1 'C2H2 type zinc-binding domain' 1 HIS 48 48 NE2 . 2 'ZINC ION' 2 ZN 1 1 ZN . . 48 HIS NE2 . . . . ZN 11287 1 4 coordination single . 1 'C2H2 type zinc-binding domain' 1 HIS 53 53 NE2 . 2 'ZINC ION' 2 ZN 1 1 ZN . . 53 HIS NE2 . . . . ZN 11287 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 48 48 HE2 . 48 HIS HE2 11287 1 . . 1 1 HIS 53 53 HE2 . 53 HIS HE2 11287 1 . . 1 1 CYS 30 30 HG . 30 CYS HG 11287 1 . . 1 1 CYS 35 35 HG . 35 CYS HG 11287 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1x3c . . . . . . 11287 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11287 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'C2H2 type zinc-binding domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGRKKPVSQSLEFPT RYSPYRPYRCVHQGCFAAFT IQQNLILHYQAVHKSDLPAF SAEVEEESGPSSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 73 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state '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 1X3C . "Solution Structure Of The C2h2 Type Zinc-Binding Domain Of Human Zinc Finger Protein 292" . . . . . 100.00 73 100.00 100.00 8.95e-45 . . . . 11287 1 2 no DBJ BAA25456 . "KIAA0530 protein [Homo sapiens]" . . . . . 83.56 1563 100.00 100.00 4.34e-34 . . . . 11287 1 3 no DBJ BAB14654 . "unnamed protein product [Homo sapiens]" . . . . . 83.56 627 100.00 100.00 5.43e-35 . . . . 11287 1 4 no DBJ BAI45414 . "zinc finger protein 292 [synthetic construct]" . . . . . 83.56 2264 100.00 100.00 1.16e-33 . . . . 11287 1 5 no EMBL CAD97823 . "hypothetical protein [Homo sapiens]" . . . . . 83.56 1624 100.00 100.00 1.22e-33 . . . . 11287 1 6 no GB AAB06954 . "zinc finger protein 15, partial [Macaca mulatta]" . . . . . 58.90 236 97.67 100.00 1.54e-22 . . . . 11287 1 7 no GB AAH63594 . "ZNF292 protein, partial [Homo sapiens]" . . . . . 83.56 632 100.00 100.00 6.05e-35 . . . . 11287 1 8 no GB AAI72360 . "Zinc finger protein 292 [synthetic construct]" . . . . . 83.56 2723 100.00 100.00 1.60e-33 . . . . 11287 1 9 no GB AAV86070 . "zinc finger protein 292 [Homo sapiens]" . . . . . 67.12 618 100.00 100.00 2.87e-26 . . . . 11287 1 10 no GB AEB61065 . "zinc finger 292-like protein, partial [Equus caballus]" . . . . . 83.56 351 98.36 98.36 2.99e-34 . . . . 11287 1 11 no REF NP_001179779 . "zinc finger protein 292 [Bos taurus]" . . . . . 83.56 2719 98.36 98.36 3.60e-32 . . . . 11287 1 12 no REF NP_055836 . "zinc finger protein 292 [Homo sapiens]" . . . . . 83.56 2723 100.00 100.00 1.60e-33 . . . . 11287 1 13 no REF XP_001088554 . "PREDICTED: zinc finger protein 292 [Macaca mulatta]" . . . . . 83.56 2584 98.36 100.00 3.48e-33 . . . . 11287 1 14 no REF XP_002806763 . "PREDICTED: LOW QUALITY PROTEIN: zinc finger protein 292 [Callithrix jacchus]" . . . . . 83.56 2723 100.00 100.00 1.60e-33 . . . . 11287 1 15 no REF XP_002817165 . "PREDICTED: zinc finger protein 292 isoform X1 [Pongo abelii]" . . . . . 83.56 2724 100.00 100.00 1.50e-33 . . . . 11287 1 16 no SP O60281 . "RecName: Full=Zinc finger protein 292" . . . . . 83.56 2723 100.00 100.00 1.60e-33 . . . . 11287 1 17 no TPG DAA26182 . "TPA: zinc finger protein 292 [Bos taurus]" . . . . . 83.56 2719 98.36 98.36 3.60e-32 . . . . 11287 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'C2H2 type zinc-binding domain' . 11287 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 . 11287 1 2 . SER . 11287 1 3 . SER . 11287 1 4 . GLY . 11287 1 5 . SER . 11287 1 6 . SER . 11287 1 7 . GLY . 11287 1 8 . ARG . 11287 1 9 . LYS . 11287 1 10 . LYS . 11287 1 11 . PRO . 11287 1 12 . VAL . 11287 1 13 . SER . 11287 1 14 . GLN . 11287 1 15 . SER . 11287 1 16 . LEU . 11287 1 17 . GLU . 11287 1 18 . PHE . 11287 1 19 . PRO . 11287 1 20 . THR . 11287 1 21 . ARG . 11287 1 22 . TYR . 11287 1 23 . SER . 11287 1 24 . PRO . 11287 1 25 . TYR . 11287 1 26 . ARG . 11287 1 27 . PRO . 11287 1 28 . TYR . 11287 1 29 . ARG . 11287 1 30 . CYS . 11287 1 31 . VAL . 11287 1 32 . HIS . 11287 1 33 . GLN . 11287 1 34 . GLY . 11287 1 35 . CYS . 11287 1 36 . PHE . 11287 1 37 . ALA . 11287 1 38 . ALA . 11287 1 39 . PHE . 11287 1 40 . THR . 11287 1 41 . ILE . 11287 1 42 . GLN . 11287 1 43 . GLN . 11287 1 44 . ASN . 11287 1 45 . LEU . 11287 1 46 . ILE . 11287 1 47 . LEU . 11287 1 48 . HIS . 11287 1 49 . TYR . 11287 1 50 . GLN . 11287 1 51 . ALA . 11287 1 52 . VAL . 11287 1 53 . HIS . 11287 1 54 . LYS . 11287 1 55 . SER . 11287 1 56 . ASP . 11287 1 57 . LEU . 11287 1 58 . PRO . 11287 1 59 . ALA . 11287 1 60 . PHE . 11287 1 61 . SER . 11287 1 62 . ALA . 11287 1 63 . GLU . 11287 1 64 . VAL . 11287 1 65 . GLU . 11287 1 66 . GLU . 11287 1 67 . GLU . 11287 1 68 . SER . 11287 1 69 . GLY . 11287 1 70 . PRO . 11287 1 71 . SER . 11287 1 72 . SER . 11287 1 73 . GLY . 11287 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 11287 1 . SER 2 2 11287 1 . SER 3 3 11287 1 . GLY 4 4 11287 1 . SER 5 5 11287 1 . SER 6 6 11287 1 . GLY 7 7 11287 1 . ARG 8 8 11287 1 . LYS 9 9 11287 1 . LYS 10 10 11287 1 . PRO 11 11 11287 1 . VAL 12 12 11287 1 . SER 13 13 11287 1 . GLN 14 14 11287 1 . SER 15 15 11287 1 . LEU 16 16 11287 1 . GLU 17 17 11287 1 . PHE 18 18 11287 1 . PRO 19 19 11287 1 . THR 20 20 11287 1 . ARG 21 21 11287 1 . TYR 22 22 11287 1 . SER 23 23 11287 1 . PRO 24 24 11287 1 . TYR 25 25 11287 1 . ARG 26 26 11287 1 . PRO 27 27 11287 1 . TYR 28 28 11287 1 . ARG 29 29 11287 1 . CYS 30 30 11287 1 . VAL 31 31 11287 1 . HIS 32 32 11287 1 . GLN 33 33 11287 1 . GLY 34 34 11287 1 . CYS 35 35 11287 1 . PHE 36 36 11287 1 . ALA 37 37 11287 1 . ALA 38 38 11287 1 . PHE 39 39 11287 1 . THR 40 40 11287 1 . ILE 41 41 11287 1 . GLN 42 42 11287 1 . GLN 43 43 11287 1 . ASN 44 44 11287 1 . LEU 45 45 11287 1 . ILE 46 46 11287 1 . LEU 47 47 11287 1 . HIS 48 48 11287 1 . TYR 49 49 11287 1 . GLN 50 50 11287 1 . ALA 51 51 11287 1 . VAL 52 52 11287 1 . HIS 53 53 11287 1 . LYS 54 54 11287 1 . SER 55 55 11287 1 . ASP 56 56 11287 1 . LEU 57 57 11287 1 . PRO 58 58 11287 1 . ALA 59 59 11287 1 . PHE 60 60 11287 1 . SER 61 61 11287 1 . ALA 62 62 11287 1 . GLU 63 63 11287 1 . VAL 64 64 11287 1 . GLU 65 65 11287 1 . GLU 66 66 11287 1 . GLU 67 67 11287 1 . SER 68 68 11287 1 . GLY 69 69 11287 1 . PRO 70 70 11287 1 . SER 71 71 11287 1 . SER 72 72 11287 1 . GLY 73 73 11287 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11287 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 11287 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 11287 _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 . . . . . . . . . . . . . . . . . . . . . 11287 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 11287 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . P041018-02 . . . . . . 11287 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 11287 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-12-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/Zn/q+2 InChI InChI 1.02b 11287 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11287 ZN [Zn++] SMILES CACTVS 3.341 11287 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11287 ZN [Zn+2] SMILES ACDLabs 10.04 11287 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11287 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11287 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 11287 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11287 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 11287 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11287 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.90mM C2H2 type zinc-binding domain U-15N, {13C;} 20mM d-Tris-HCl {(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.05mM {ZnCl2;} 0.1mM {NTA;} 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'C2H2 type zinc-binding domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.90 . . mM . . . . 11287 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11287 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11287 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11287 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11287 1 6 ZnCl2 'natural abundance' . . . . . salt 0.05 . . mM . . . . 11287 1 7 NTA 'natural abundance' . . . . . salt 0.1 . . mM . . . . 11287 1 8 H2O . . . . . . solvent 90 . . % . . . . 11287 1 9 D2O . . . . . . solvent 10 . . % . . . . 11287 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 11287 _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 11287 1 pH 7.0 0.05 pH 11287 1 pressure 1 0.001 atm 11287 1 temperature 296 0.1 K 11287 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11287 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11287 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11287 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11287 _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.' . . 11287 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11287 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11287 _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.' . . 11287 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11287 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11287 _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.' . . 11287 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11287 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11287 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11287 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11287 5 'structure solution' 11287 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 11287 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11287 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 11287 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 11287 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11287 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11287 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 11287 _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 . . . . . . . . . 11287 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11287 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11287 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 11287 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11287 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11287 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11287 1 2 $NMRPipe . . 11287 1 3 $NMRview . . 11287 1 4 $Kujira . . 11287 1 5 $CYANA . . 11287 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 GLY HA2 H 1 3.948 0.030 . 1 . . . . 7 GLY HA2 . 11287 1 2 . 1 1 7 7 GLY HA3 H 1 3.948 0.030 . 1 . . . . 7 GLY HA3 . 11287 1 3 . 1 1 7 7 GLY C C 13 173.999 0.300 . 1 . . . . 7 GLY C . 11287 1 4 . 1 1 7 7 GLY CA C 13 45.346 0.300 . 1 . . . . 7 GLY CA . 11287 1 5 . 1 1 8 8 ARG H H 1 8.107 0.030 . 1 . . . . 8 ARG H . 11287 1 6 . 1 1 8 8 ARG HA H 1 4.312 0.030 . 1 . . . . 8 ARG HA . 11287 1 7 . 1 1 8 8 ARG HB2 H 1 1.730 0.030 . 2 . . . . 8 ARG HB2 . 11287 1 8 . 1 1 8 8 ARG HB3 H 1 1.826 0.030 . 2 . . . . 8 ARG HB3 . 11287 1 9 . 1 1 8 8 ARG HD2 H 1 3.178 0.030 . 1 . . . . 8 ARG HD2 . 11287 1 10 . 1 1 8 8 ARG HD3 H 1 3.178 0.030 . 1 . . . . 8 ARG HD3 . 11287 1 11 . 1 1 8 8 ARG HG2 H 1 1.602 0.030 . 1 . . . . 8 ARG HG2 . 11287 1 12 . 1 1 8 8 ARG HG3 H 1 1.602 0.030 . 1 . . . . 8 ARG HG3 . 11287 1 13 . 1 1 8 8 ARG C C 13 176.331 0.300 . 1 . . . . 8 ARG C . 11287 1 14 . 1 1 8 8 ARG CA C 13 56.077 0.300 . 1 . . . . 8 ARG CA . 11287 1 15 . 1 1 8 8 ARG CB C 13 30.923 0.300 . 1 . . . . 8 ARG CB . 11287 1 16 . 1 1 8 8 ARG CD C 13 43.340 0.300 . 1 . . . . 8 ARG CD . 11287 1 17 . 1 1 8 8 ARG CG C 13 27.096 0.300 . 1 . . . . 8 ARG CG . 11287 1 18 . 1 1 8 8 ARG N N 15 120.583 0.300 . 1 . . . . 8 ARG N . 11287 1 19 . 1 1 9 9 LYS H H 1 8.390 0.030 . 1 . . . . 9 LYS H . 11287 1 20 . 1 1 9 9 LYS HA H 1 4.292 0.030 . 1 . . . . 9 LYS HA . 11287 1 21 . 1 1 9 9 LYS HB2 H 1 1.714 0.030 . 2 . . . . 9 LYS HB2 . 11287 1 22 . 1 1 9 9 LYS HB3 H 1 1.783 0.030 . 2 . . . . 9 LYS HB3 . 11287 1 23 . 1 1 9 9 LYS HD2 H 1 1.656 0.030 . 1 . . . . 9 LYS HD2 . 11287 1 24 . 1 1 9 9 LYS HD3 H 1 1.656 0.030 . 1 . . . . 9 LYS HD3 . 11287 1 25 . 1 1 9 9 LYS HE2 H 1 2.975 0.030 . 1 . . . . 9 LYS HE2 . 11287 1 26 . 1 1 9 9 LYS HE3 H 1 2.975 0.030 . 1 . . . . 9 LYS HE3 . 11287 1 27 . 1 1 9 9 LYS HG2 H 1 1.385 0.030 . 2 . . . . 9 LYS HG2 . 11287 1 28 . 1 1 9 9 LYS HG3 H 1 1.437 0.030 . 2 . . . . 9 LYS HG3 . 11287 1 29 . 1 1 9 9 LYS C C 13 176.306 0.300 . 1 . . . . 9 LYS C . 11287 1 30 . 1 1 9 9 LYS CA C 13 56.093 0.300 . 1 . . . . 9 LYS CA . 11287 1 31 . 1 1 9 9 LYS CB C 13 33.115 0.300 . 1 . . . . 9 LYS CB . 11287 1 32 . 1 1 9 9 LYS CD C 13 29.058 0.300 . 1 . . . . 9 LYS CD . 11287 1 33 . 1 1 9 9 LYS CE C 13 42.213 0.300 . 1 . . . . 9 LYS CE . 11287 1 34 . 1 1 9 9 LYS CG C 13 24.700 0.300 . 1 . . . . 9 LYS CG . 11287 1 35 . 1 1 9 9 LYS N N 15 123.242 0.300 . 1 . . . . 9 LYS N . 11287 1 36 . 1 1 10 10 LYS H H 1 8.367 0.030 . 1 . . . . 10 LYS H . 11287 1 37 . 1 1 10 10 LYS HA H 1 4.545 0.030 . 1 . . . . 10 LYS HA . 11287 1 38 . 1 1 10 10 LYS HB2 H 1 1.697 0.030 . 2 . . . . 10 LYS HB2 . 11287 1 39 . 1 1 10 10 LYS HB3 H 1 1.787 0.030 . 2 . . . . 10 LYS HB3 . 11287 1 40 . 1 1 10 10 LYS HD2 H 1 1.674 0.030 . 1 . . . . 10 LYS HD2 . 11287 1 41 . 1 1 10 10 LYS HD3 H 1 1.674 0.030 . 1 . . . . 10 LYS HD3 . 11287 1 42 . 1 1 10 10 LYS HE2 H 1 2.980 0.030 . 1 . . . . 10 LYS HE2 . 11287 1 43 . 1 1 10 10 LYS HE3 H 1 2.980 0.030 . 1 . . . . 10 LYS HE3 . 11287 1 44 . 1 1 10 10 LYS HG2 H 1 1.445 0.030 . 2 . . . . 10 LYS HG2 . 11287 1 45 . 1 1 10 10 LYS HG3 H 1 1.476 0.030 . 2 . . . . 10 LYS HG3 . 11287 1 46 . 1 1 10 10 LYS C C 13 174.460 0.300 . 1 . . . . 10 LYS C . 11287 1 47 . 1 1 10 10 LYS CA C 13 54.263 0.300 . 1 . . . . 10 LYS CA . 11287 1 48 . 1 1 10 10 LYS CB C 13 32.533 0.300 . 1 . . . . 10 LYS CB . 11287 1 49 . 1 1 10 10 LYS CD C 13 29.149 0.300 . 1 . . . . 10 LYS CD . 11287 1 50 . 1 1 10 10 LYS CE C 13 42.203 0.300 . 1 . . . . 10 LYS CE . 11287 1 51 . 1 1 10 10 LYS CG C 13 24.674 0.300 . 1 . . . . 10 LYS CG . 11287 1 52 . 1 1 10 10 LYS N N 15 124.537 0.300 . 1 . . . . 10 LYS N . 11287 1 53 . 1 1 11 11 PRO HA H 1 4.450 0.030 . 1 . . . . 11 PRO HA . 11287 1 54 . 1 1 11 11 PRO HB2 H 1 1.874 0.030 . 2 . . . . 11 PRO HB2 . 11287 1 55 . 1 1 11 11 PRO HB3 H 1 2.270 0.030 . 2 . . . . 11 PRO HB3 . 11287 1 56 . 1 1 11 11 PRO HD2 H 1 3.609 0.030 . 2 . . . . 11 PRO HD2 . 11287 1 57 . 1 1 11 11 PRO HD3 H 1 3.822 0.030 . 2 . . . . 11 PRO HD3 . 11287 1 58 . 1 1 11 11 PRO HG2 H 1 1.994 0.030 . 1 . . . . 11 PRO HG2 . 11287 1 59 . 1 1 11 11 PRO HG3 H 1 1.994 0.030 . 1 . . . . 11 PRO HG3 . 11287 1 60 . 1 1 11 11 PRO C C 13 176.986 0.300 . 1 . . . . 11 PRO C . 11287 1 61 . 1 1 11 11 PRO CA C 13 62.899 0.300 . 1 . . . . 11 PRO CA . 11287 1 62 . 1 1 11 11 PRO CB C 13 32.156 0.300 . 1 . . . . 11 PRO CB . 11287 1 63 . 1 1 11 11 PRO CD C 13 50.597 0.300 . 1 . . . . 11 PRO CD . 11287 1 64 . 1 1 11 11 PRO CG C 13 27.423 0.300 . 1 . . . . 11 PRO CG . 11287 1 65 . 1 1 12 12 VAL H H 1 8.298 0.030 . 1 . . . . 12 VAL H . 11287 1 66 . 1 1 12 12 VAL HA H 1 4.082 0.030 . 1 . . . . 12 VAL HA . 11287 1 67 . 1 1 12 12 VAL HB H 1 2.059 0.030 . 1 . . . . 12 VAL HB . 11287 1 68 . 1 1 12 12 VAL HG11 H 1 0.940 0.030 . 1 . . . . 12 VAL HG1 . 11287 1 69 . 1 1 12 12 VAL HG12 H 1 0.940 0.030 . 1 . . . . 12 VAL HG1 . 11287 1 70 . 1 1 12 12 VAL HG13 H 1 0.940 0.030 . 1 . . . . 12 VAL HG1 . 11287 1 71 . 1 1 12 12 VAL HG21 H 1 0.949 0.030 . 1 . . . . 12 VAL HG2 . 11287 1 72 . 1 1 12 12 VAL HG22 H 1 0.949 0.030 . 1 . . . . 12 VAL HG2 . 11287 1 73 . 1 1 12 12 VAL HG23 H 1 0.949 0.030 . 1 . . . . 12 VAL HG2 . 11287 1 74 . 1 1 12 12 VAL C C 13 176.428 0.300 . 1 . . . . 12 VAL C . 11287 1 75 . 1 1 12 12 VAL CA C 13 62.382 0.300 . 1 . . . . 12 VAL CA . 11287 1 76 . 1 1 12 12 VAL CB C 13 32.796 0.300 . 1 . . . . 12 VAL CB . 11287 1 77 . 1 1 12 12 VAL CG1 C 13 21.011 0.300 . 2 . . . . 12 VAL CG1 . 11287 1 78 . 1 1 12 12 VAL CG2 C 13 20.626 0.300 . 2 . . . . 12 VAL CG2 . 11287 1 79 . 1 1 12 12 VAL N N 15 120.659 0.300 . 1 . . . . 12 VAL N . 11287 1 80 . 1 1 13 13 SER H H 1 8.355 0.030 . 1 . . . . 13 SER H . 11287 1 81 . 1 1 13 13 SER C C 13 174.485 0.300 . 1 . . . . 13 SER C . 11287 1 82 . 1 1 13 13 SER CA C 13 58.266 0.300 . 1 . . . . 13 SER CA . 11287 1 83 . 1 1 13 13 SER CB C 13 63.810 0.300 . 1 . . . . 13 SER CB . 11287 1 84 . 1 1 13 13 SER N N 15 119.126 0.300 . 1 . . . . 13 SER N . 11287 1 85 . 1 1 14 14 GLN HA H 1 4.362 0.030 . 1 . . . . 14 GLN HA . 11287 1 86 . 1 1 14 14 GLN HB2 H 1 1.952 0.030 . 2 . . . . 14 GLN HB2 . 11287 1 87 . 1 1 14 14 GLN HB3 H 1 2.115 0.030 . 2 . . . . 14 GLN HB3 . 11287 1 88 . 1 1 14 14 GLN HE21 H 1 6.862 0.030 . 2 . . . . 14 GLN HE21 . 11287 1 89 . 1 1 14 14 GLN HE22 H 1 7.547 0.030 . 2 . . . . 14 GLN HE22 . 11287 1 90 . 1 1 14 14 GLN HG2 H 1 2.345 0.030 . 1 . . . . 14 GLN HG2 . 11287 1 91 . 1 1 14 14 GLN HG3 H 1 2.345 0.030 . 1 . . . . 14 GLN HG3 . 11287 1 92 . 1 1 14 14 GLN C C 13 175.845 0.300 . 1 . . . . 14 GLN C . 11287 1 93 . 1 1 14 14 GLN CA C 13 56.081 0.300 . 1 . . . . 14 GLN CA . 11287 1 94 . 1 1 14 14 GLN CB C 13 29.656 0.300 . 1 . . . . 14 GLN CB . 11287 1 95 . 1 1 14 14 GLN CG C 13 33.836 0.300 . 1 . . . . 14 GLN CG . 11287 1 96 . 1 1 15 15 SER H H 1 8.328 0.030 . 1 . . . . 15 SER H . 11287 1 97 . 1 1 15 15 SER HA H 1 4.396 0.030 . 1 . . . . 15 SER HA . 11287 1 98 . 1 1 15 15 SER HB2 H 1 3.834 0.030 . 1 . . . . 15 SER HB2 . 11287 1 99 . 1 1 15 15 SER HB3 H 1 3.834 0.030 . 1 . . . . 15 SER HB3 . 11287 1 100 . 1 1 15 15 SER C C 13 174.485 0.300 . 1 . . . . 15 SER C . 11287 1 101 . 1 1 15 15 SER CA C 13 58.442 0.300 . 1 . . . . 15 SER CA . 11287 1 102 . 1 1 15 15 SER CB C 13 63.683 0.300 . 1 . . . . 15 SER CB . 11287 1 103 . 1 1 15 15 SER N N 15 116.919 0.300 . 1 . . . . 15 SER N . 11287 1 104 . 1 1 16 16 LEU H H 1 8.244 0.030 . 1 . . . . 16 LEU H . 11287 1 105 . 1 1 16 16 LEU HA H 1 4.299 0.030 . 1 . . . . 16 LEU HA . 11287 1 106 . 1 1 16 16 LEU HB2 H 1 1.498 0.030 . 2 . . . . 16 LEU HB2 . 11287 1 107 . 1 1 16 16 LEU HB3 H 1 1.578 0.030 . 2 . . . . 16 LEU HB3 . 11287 1 108 . 1 1 16 16 LEU HD11 H 1 0.894 0.030 . 1 . . . . 16 LEU HD1 . 11287 1 109 . 1 1 16 16 LEU HD12 H 1 0.894 0.030 . 1 . . . . 16 LEU HD1 . 11287 1 110 . 1 1 16 16 LEU HD13 H 1 0.894 0.030 . 1 . . . . 16 LEU HD1 . 11287 1 111 . 1 1 16 16 LEU HD21 H 1 0.831 0.030 . 1 . . . . 16 LEU HD2 . 11287 1 112 . 1 1 16 16 LEU HD22 H 1 0.831 0.030 . 1 . . . . 16 LEU HD2 . 11287 1 113 . 1 1 16 16 LEU HD23 H 1 0.831 0.030 . 1 . . . . 16 LEU HD2 . 11287 1 114 . 1 1 16 16 LEU HG H 1 1.573 0.030 . 1 . . . . 16 LEU HG . 11287 1 115 . 1 1 16 16 LEU C C 13 176.913 0.300 . 1 . . . . 16 LEU C . 11287 1 116 . 1 1 16 16 LEU CA C 13 55.148 0.300 . 1 . . . . 16 LEU CA . 11287 1 117 . 1 1 16 16 LEU CB C 13 42.231 0.300 . 1 . . . . 16 LEU CB . 11287 1 118 . 1 1 16 16 LEU CD1 C 13 24.938 0.300 . 2 . . . . 16 LEU CD1 . 11287 1 119 . 1 1 16 16 LEU CD2 C 13 23.360 0.300 . 2 . . . . 16 LEU CD2 . 11287 1 120 . 1 1 16 16 LEU CG C 13 27.040 0.300 . 1 . . . . 16 LEU CG . 11287 1 121 . 1 1 16 16 LEU N N 15 124.131 0.300 . 1 . . . . 16 LEU N . 11287 1 122 . 1 1 17 17 GLU H H 1 8.196 0.030 . 1 . . . . 17 GLU H . 11287 1 123 . 1 1 17 17 GLU HA H 1 4.133 0.030 . 1 . . . . 17 GLU HA . 11287 1 124 . 1 1 17 17 GLU HB2 H 1 1.776 0.030 . 2 . . . . 17 GLU HB2 . 11287 1 125 . 1 1 17 17 GLU HB3 H 1 1.817 0.030 . 2 . . . . 17 GLU HB3 . 11287 1 126 . 1 1 17 17 GLU HG2 H 1 1.980 0.030 . 2 . . . . 17 GLU HG2 . 11287 1 127 . 1 1 17 17 GLU HG3 H 1 2.114 0.030 . 2 . . . . 17 GLU HG3 . 11287 1 128 . 1 1 17 17 GLU C C 13 174.655 0.300 . 1 . . . . 17 GLU C . 11287 1 129 . 1 1 17 17 GLU CA C 13 56.490 0.300 . 1 . . . . 17 GLU CA . 11287 1 130 . 1 1 17 17 GLU CB C 13 30.686 0.300 . 1 . . . . 17 GLU CB . 11287 1 131 . 1 1 17 17 GLU CG C 13 36.183 0.300 . 1 . . . . 17 GLU CG . 11287 1 132 . 1 1 17 17 GLU N N 15 121.404 0.300 . 1 . . . . 17 GLU N . 11287 1 133 . 1 1 18 18 PHE H H 1 8.143 0.030 . 1 . . . . 18 PHE H . 11287 1 134 . 1 1 18 18 PHE HA H 1 4.845 0.030 . 1 . . . . 18 PHE HA . 11287 1 135 . 1 1 18 18 PHE HB2 H 1 3.105 0.030 . 2 . . . . 18 PHE HB2 . 11287 1 136 . 1 1 18 18 PHE HB3 H 1 2.883 0.030 . 2 . . . . 18 PHE HB3 . 11287 1 137 . 1 1 18 18 PHE HD1 H 1 7.233 0.030 . 1 . . . . 18 PHE HD1 . 11287 1 138 . 1 1 18 18 PHE HD2 H 1 7.233 0.030 . 1 . . . . 18 PHE HD2 . 11287 1 139 . 1 1 18 18 PHE C C 13 173.974 0.300 . 1 . . . . 18 PHE C . 11287 1 140 . 1 1 18 18 PHE CA C 13 55.567 0.300 . 1 . . . . 18 PHE CA . 11287 1 141 . 1 1 18 18 PHE CB C 13 39.081 0.300 . 1 . . . . 18 PHE CB . 11287 1 142 . 1 1 18 18 PHE CD1 C 13 131.982 0.300 . 1 . . . . 18 PHE CD1 . 11287 1 143 . 1 1 18 18 PHE CD2 C 13 131.982 0.300 . 1 . . . . 18 PHE CD2 . 11287 1 144 . 1 1 18 18 PHE N N 15 120.901 0.300 . 1 . . . . 18 PHE N . 11287 1 145 . 1 1 19 19 PRO HA H 1 4.461 0.030 . 1 . . . . 19 PRO HA . 11287 1 146 . 1 1 19 19 PRO HB2 H 1 1.892 0.030 . 2 . . . . 19 PRO HB2 . 11287 1 147 . 1 1 19 19 PRO HB3 H 1 2.260 0.030 . 2 . . . . 19 PRO HB3 . 11287 1 148 . 1 1 19 19 PRO HD2 H 1 3.529 0.030 . 2 . . . . 19 PRO HD2 . 11287 1 149 . 1 1 19 19 PRO HD3 H 1 3.676 0.030 . 2 . . . . 19 PRO HD3 . 11287 1 150 . 1 1 19 19 PRO HG2 H 1 1.955 0.030 . 1 . . . . 19 PRO HG2 . 11287 1 151 . 1 1 19 19 PRO HG3 H 1 1.955 0.030 . 1 . . . . 19 PRO HG3 . 11287 1 152 . 1 1 19 19 PRO C C 13 177.084 0.300 . 1 . . . . 19 PRO C . 11287 1 153 . 1 1 19 19 PRO CA C 13 63.437 0.300 . 1 . . . . 19 PRO CA . 11287 1 154 . 1 1 19 19 PRO CB C 13 32.033 0.300 . 1 . . . . 19 PRO CB . 11287 1 155 . 1 1 19 19 PRO CD C 13 50.595 0.300 . 1 . . . . 19 PRO CD . 11287 1 156 . 1 1 19 19 PRO CG C 13 27.312 0.300 . 1 . . . . 19 PRO CG . 11287 1 157 . 1 1 20 20 THR H H 1 8.128 0.030 . 1 . . . . 20 THR H . 11287 1 158 . 1 1 20 20 THR HA H 1 4.261 0.030 . 1 . . . . 20 THR HA . 11287 1 159 . 1 1 20 20 THR HB H 1 4.174 0.030 . 1 . . . . 20 THR HB . 11287 1 160 . 1 1 20 20 THR HG21 H 1 1.155 0.030 . 1 . . . . 20 THR HG2 . 11287 1 161 . 1 1 20 20 THR HG22 H 1 1.155 0.030 . 1 . . . . 20 THR HG2 . 11287 1 162 . 1 1 20 20 THR HG23 H 1 1.155 0.030 . 1 . . . . 20 THR HG2 . 11287 1 163 . 1 1 20 20 THR C C 13 174.533 0.300 . 1 . . . . 20 THR C . 11287 1 164 . 1 1 20 20 THR CA C 13 61.990 0.300 . 1 . . . . 20 THR CA . 11287 1 165 . 1 1 20 20 THR CB C 13 69.705 0.300 . 1 . . . . 20 THR CB . 11287 1 166 . 1 1 20 20 THR CG2 C 13 21.799 0.300 . 1 . . . . 20 THR CG2 . 11287 1 167 . 1 1 20 20 THR N N 15 113.516 0.300 . 1 . . . . 20 THR N . 11287 1 168 . 1 1 21 21 ARG H H 1 8.136 0.030 . 1 . . . . 21 ARG H . 11287 1 169 . 1 1 21 21 ARG HA H 1 4.233 0.030 . 1 . . . . 21 ARG HA . 11287 1 170 . 1 1 21 21 ARG HB2 H 1 1.661 0.030 . 1 . . . . 21 ARG HB2 . 11287 1 171 . 1 1 21 21 ARG HB3 H 1 1.661 0.030 . 1 . . . . 21 ARG HB3 . 11287 1 172 . 1 1 21 21 ARG HD2 H 1 3.044 0.030 . 1 . . . . 21 ARG HD2 . 11287 1 173 . 1 1 21 21 ARG HD3 H 1 3.044 0.030 . 1 . . . . 21 ARG HD3 . 11287 1 174 . 1 1 21 21 ARG HG2 H 1 1.418 0.030 . 1 . . . . 21 ARG HG2 . 11287 1 175 . 1 1 21 21 ARG HG3 H 1 1.418 0.030 . 1 . . . . 21 ARG HG3 . 11287 1 176 . 1 1 21 21 ARG C C 13 175.675 0.300 . 1 . . . . 21 ARG C . 11287 1 177 . 1 1 21 21 ARG CA C 13 56.102 0.300 . 1 . . . . 21 ARG CA . 11287 1 178 . 1 1 21 21 ARG CB C 13 30.950 0.300 . 1 . . . . 21 ARG CB . 11287 1 179 . 1 1 21 21 ARG CD C 13 43.271 0.300 . 1 . . . . 21 ARG CD . 11287 1 180 . 1 1 21 21 ARG CG C 13 26.784 0.300 . 1 . . . . 21 ARG CG . 11287 1 181 . 1 1 21 21 ARG N N 15 122.414 0.300 . 1 . . . . 21 ARG N . 11287 1 182 . 1 1 22 22 TYR H H 1 8.202 0.030 . 1 . . . . 22 TYR H . 11287 1 183 . 1 1 22 22 TYR HA H 1 4.548 0.030 . 1 . . . . 22 TYR HA . 11287 1 184 . 1 1 22 22 TYR HB2 H 1 2.863 0.030 . 2 . . . . 22 TYR HB2 . 11287 1 185 . 1 1 22 22 TYR HB3 H 1 2.947 0.030 . 2 . . . . 22 TYR HB3 . 11287 1 186 . 1 1 22 22 TYR HD1 H 1 7.053 0.030 . 1 . . . . 22 TYR HD1 . 11287 1 187 . 1 1 22 22 TYR HD2 H 1 7.053 0.030 . 1 . . . . 22 TYR HD2 . 11287 1 188 . 1 1 22 22 TYR HE1 H 1 6.765 0.030 . 1 . . . . 22 TYR HE1 . 11287 1 189 . 1 1 22 22 TYR HE2 H 1 6.765 0.030 . 1 . . . . 22 TYR HE2 . 11287 1 190 . 1 1 22 22 TYR C C 13 175.310 0.300 . 1 . . . . 22 TYR C . 11287 1 191 . 1 1 22 22 TYR CA C 13 57.661 0.300 . 1 . . . . 22 TYR CA . 11287 1 192 . 1 1 22 22 TYR CB C 13 39.051 0.300 . 1 . . . . 22 TYR CB . 11287 1 193 . 1 1 22 22 TYR CD1 C 13 133.029 0.300 . 1 . . . . 22 TYR CD1 . 11287 1 194 . 1 1 22 22 TYR CD2 C 13 133.029 0.300 . 1 . . . . 22 TYR CD2 . 11287 1 195 . 1 1 22 22 TYR CE1 C 13 118.112 0.300 . 1 . . . . 22 TYR CE1 . 11287 1 196 . 1 1 22 22 TYR CE2 C 13 118.112 0.300 . 1 . . . . 22 TYR CE2 . 11287 1 197 . 1 1 22 22 TYR N N 15 121.159 0.300 . 1 . . . . 22 TYR N . 11287 1 198 . 1 1 23 23 SER H H 1 8.161 0.030 . 1 . . . . 23 SER H . 11287 1 199 . 1 1 23 23 SER HA H 1 4.655 0.030 . 1 . . . . 23 SER HA . 11287 1 200 . 1 1 23 23 SER HB2 H 1 3.678 0.030 . 2 . . . . 23 SER HB2 . 11287 1 201 . 1 1 23 23 SER HB3 H 1 3.779 0.030 . 2 . . . . 23 SER HB3 . 11287 1 202 . 1 1 23 23 SER C C 13 172.881 0.300 . 1 . . . . 23 SER C . 11287 1 203 . 1 1 23 23 SER CA C 13 55.562 0.300 . 1 . . . . 23 SER CA . 11287 1 204 . 1 1 23 23 SER CB C 13 63.945 0.300 . 1 . . . . 23 SER CB . 11287 1 205 . 1 1 23 23 SER N N 15 119.305 0.300 . 1 . . . . 23 SER N . 11287 1 206 . 1 1 24 24 PRO HA H 1 4.261 0.030 . 1 . . . . 24 PRO HA . 11287 1 207 . 1 1 24 24 PRO HB2 H 1 2.160 0.030 . 2 . . . . 24 PRO HB2 . 11287 1 208 . 1 1 24 24 PRO HB3 H 1 1.614 0.030 . 2 . . . . 24 PRO HB3 . 11287 1 209 . 1 1 24 24 PRO HD2 H 1 3.590 0.030 . 2 . . . . 24 PRO HD2 . 11287 1 210 . 1 1 24 24 PRO HD3 H 1 3.529 0.030 . 2 . . . . 24 PRO HD3 . 11287 1 211 . 1 1 24 24 PRO HG2 H 1 1.887 0.030 . 2 . . . . 24 PRO HG2 . 11287 1 212 . 1 1 24 24 PRO HG3 H 1 1.684 0.030 . 2 . . . . 24 PRO HG3 . 11287 1 213 . 1 1 24 24 PRO CA C 13 63.172 0.300 . 1 . . . . 24 PRO CA . 11287 1 214 . 1 1 24 24 PRO CB C 13 32.011 0.300 . 1 . . . . 24 PRO CB . 11287 1 215 . 1 1 24 24 PRO CD C 13 50.699 0.300 . 1 . . . . 24 PRO CD . 11287 1 216 . 1 1 24 24 PRO CG C 13 26.962 0.300 . 1 . . . . 24 PRO CG . 11287 1 217 . 1 1 25 25 TYR H H 1 8.015 0.030 . 1 . . . . 25 TYR H . 11287 1 218 . 1 1 25 25 TYR HA H 1 4.459 0.030 . 1 . . . . 25 TYR HA . 11287 1 219 . 1 1 25 25 TYR HB2 H 1 2.994 0.030 . 2 . . . . 25 TYR HB2 . 11287 1 220 . 1 1 25 25 TYR HB3 H 1 2.878 0.030 . 2 . . . . 25 TYR HB3 . 11287 1 221 . 1 1 25 25 TYR HD1 H 1 7.065 0.030 . 1 . . . . 25 TYR HD1 . 11287 1 222 . 1 1 25 25 TYR HD2 H 1 7.065 0.030 . 1 . . . . 25 TYR HD2 . 11287 1 223 . 1 1 25 25 TYR HE1 H 1 6.772 0.030 . 1 . . . . 25 TYR HE1 . 11287 1 224 . 1 1 25 25 TYR HE2 H 1 6.772 0.030 . 1 . . . . 25 TYR HE2 . 11287 1 225 . 1 1 25 25 TYR CA C 13 57.922 0.300 . 1 . . . . 25 TYR CA . 11287 1 226 . 1 1 25 25 TYR CB C 13 38.295 0.300 . 1 . . . . 25 TYR CB . 11287 1 227 . 1 1 25 25 TYR CD1 C 13 133.029 0.300 . 1 . . . . 25 TYR CD1 . 11287 1 228 . 1 1 25 25 TYR CD2 C 13 133.029 0.300 . 1 . . . . 25 TYR CD2 . 11287 1 229 . 1 1 25 25 TYR CE1 C 13 118.112 0.300 . 1 . . . . 25 TYR CE1 . 11287 1 230 . 1 1 25 25 TYR CE2 C 13 118.112 0.300 . 1 . . . . 25 TYR CE2 . 11287 1 231 . 1 1 25 25 TYR N N 15 119.667 0.300 . 1 . . . . 25 TYR N . 11287 1 232 . 1 1 26 26 ARG H H 1 7.789 0.030 . 1 . . . . 26 ARG H . 11287 1 233 . 1 1 26 26 ARG HA H 1 4.344 0.030 . 1 . . . . 26 ARG HA . 11287 1 234 . 1 1 26 26 ARG HB2 H 1 1.442 0.030 . 2 . . . . 26 ARG HB2 . 11287 1 235 . 1 1 26 26 ARG HB3 H 1 1.253 0.030 . 2 . . . . 26 ARG HB3 . 11287 1 236 . 1 1 26 26 ARG HD2 H 1 2.942 0.030 . 2 . . . . 26 ARG HD2 . 11287 1 237 . 1 1 26 26 ARG HD3 H 1 2.892 0.030 . 2 . . . . 26 ARG HD3 . 11287 1 238 . 1 1 26 26 ARG HG2 H 1 1.334 0.030 . 2 . . . . 26 ARG HG2 . 11287 1 239 . 1 1 26 26 ARG HG3 H 1 1.283 0.030 . 2 . . . . 26 ARG HG3 . 11287 1 240 . 1 1 26 26 ARG CA C 13 53.204 0.300 . 1 . . . . 26 ARG CA . 11287 1 241 . 1 1 26 26 ARG CB C 13 30.979 0.300 . 1 . . . . 26 ARG CB . 11287 1 242 . 1 1 26 26 ARG CD C 13 43.547 0.300 . 1 . . . . 26 ARG CD . 11287 1 243 . 1 1 26 26 ARG CG C 13 27.042 0.300 . 1 . . . . 26 ARG CG . 11287 1 244 . 1 1 26 26 ARG N N 15 122.774 0.300 . 1 . . . . 26 ARG N . 11287 1 245 . 1 1 27 27 PRO HA H 1 4.110 0.030 . 1 . . . . 27 PRO HA . 11287 1 246 . 1 1 27 27 PRO HB2 H 1 1.216 0.030 . 2 . . . . 27 PRO HB2 . 11287 1 247 . 1 1 27 27 PRO HB3 H 1 1.892 0.030 . 2 . . . . 27 PRO HB3 . 11287 1 248 . 1 1 27 27 PRO HD2 H 1 3.152 0.030 . 2 . . . . 27 PRO HD2 . 11287 1 249 . 1 1 27 27 PRO HD3 H 1 3.592 0.030 . 2 . . . . 27 PRO HD3 . 11287 1 250 . 1 1 27 27 PRO HG2 H 1 1.438 0.030 . 2 . . . . 27 PRO HG2 . 11287 1 251 . 1 1 27 27 PRO HG3 H 1 1.702 0.030 . 2 . . . . 27 PRO HG3 . 11287 1 252 . 1 1 27 27 PRO C C 13 176.598 0.300 . 1 . . . . 27 PRO C . 11287 1 253 . 1 1 27 27 PRO CA C 13 63.664 0.300 . 1 . . . . 27 PRO CA . 11287 1 254 . 1 1 27 27 PRO CB C 13 32.268 0.300 . 1 . . . . 27 PRO CB . 11287 1 255 . 1 1 27 27 PRO CD C 13 50.092 0.300 . 1 . . . . 27 PRO CD . 11287 1 256 . 1 1 27 27 PRO CG C 13 26.268 0.300 . 1 . . . . 27 PRO CG . 11287 1 257 . 1 1 28 28 TYR H H 1 7.677 0.030 . 1 . . . . 28 TYR H . 11287 1 258 . 1 1 28 28 TYR HA H 1 4.657 0.030 . 1 . . . . 28 TYR HA . 11287 1 259 . 1 1 28 28 TYR HB2 H 1 2.787 0.030 . 2 . . . . 28 TYR HB2 . 11287 1 260 . 1 1 28 28 TYR HB3 H 1 2.943 0.030 . 2 . . . . 28 TYR HB3 . 11287 1 261 . 1 1 28 28 TYR HD1 H 1 6.961 0.030 . 1 . . . . 28 TYR HD1 . 11287 1 262 . 1 1 28 28 TYR HD2 H 1 6.961 0.030 . 1 . . . . 28 TYR HD2 . 11287 1 263 . 1 1 28 28 TYR HE1 H 1 6.878 0.030 . 1 . . . . 28 TYR HE1 . 11287 1 264 . 1 1 28 28 TYR HE2 H 1 6.878 0.030 . 1 . . . . 28 TYR HE2 . 11287 1 265 . 1 1 28 28 TYR C C 13 174.752 0.300 . 1 . . . . 28 TYR C . 11287 1 266 . 1 1 28 28 TYR CA C 13 57.656 0.300 . 1 . . . . 28 TYR CA . 11287 1 267 . 1 1 28 28 TYR CB C 13 37.344 0.300 . 1 . . . . 28 TYR CB . 11287 1 268 . 1 1 28 28 TYR CD1 C 13 133.029 0.300 . 1 . . . . 28 TYR CD1 . 11287 1 269 . 1 1 28 28 TYR CD2 C 13 133.029 0.300 . 1 . . . . 28 TYR CD2 . 11287 1 270 . 1 1 28 28 TYR CE1 C 13 118.620 0.300 . 1 . . . . 28 TYR CE1 . 11287 1 271 . 1 1 28 28 TYR CE2 C 13 118.620 0.300 . 1 . . . . 28 TYR CE2 . 11287 1 272 . 1 1 28 28 TYR N N 15 118.427 0.300 . 1 . . . . 28 TYR N . 11287 1 273 . 1 1 29 29 ARG H H 1 8.232 0.030 . 1 . . . . 29 ARG H . 11287 1 274 . 1 1 29 29 ARG HA H 1 4.706 0.030 . 1 . . . . 29 ARG HA . 11287 1 275 . 1 1 29 29 ARG HB2 H 1 1.650 0.030 . 2 . . . . 29 ARG HB2 . 11287 1 276 . 1 1 29 29 ARG HB3 H 1 1.817 0.030 . 2 . . . . 29 ARG HB3 . 11287 1 277 . 1 1 29 29 ARG HD2 H 1 3.051 0.030 . 2 . . . . 29 ARG HD2 . 11287 1 278 . 1 1 29 29 ARG HD3 H 1 2.973 0.030 . 2 . . . . 29 ARG HD3 . 11287 1 279 . 1 1 29 29 ARG HG2 H 1 1.489 0.030 . 1 . . . . 29 ARG HG2 . 11287 1 280 . 1 1 29 29 ARG HG3 H 1 1.489 0.030 . 1 . . . . 29 ARG HG3 . 11287 1 281 . 1 1 29 29 ARG C C 13 174.679 0.300 . 1 . . . . 29 ARG C . 11287 1 282 . 1 1 29 29 ARG CA C 13 55.065 0.300 . 1 . . . . 29 ARG CA . 11287 1 283 . 1 1 29 29 ARG CB C 13 32.251 0.300 . 1 . . . . 29 ARG CB . 11287 1 284 . 1 1 29 29 ARG CD C 13 43.287 0.300 . 1 . . . . 29 ARG CD . 11287 1 285 . 1 1 29 29 ARG CG C 13 27.308 0.300 . 1 . . . . 29 ARG CG . 11287 1 286 . 1 1 29 29 ARG N N 15 125.011 0.300 . 1 . . . . 29 ARG N . 11287 1 287 . 1 1 30 30 CYS H H 1 8.427 0.030 . 1 . . . . 30 CYS H . 11287 1 288 . 1 1 30 30 CYS HA H 1 4.423 0.030 . 1 . . . . 30 CYS HA . 11287 1 289 . 1 1 30 30 CYS HB2 H 1 2.662 0.030 . 2 . . . . 30 CYS HB2 . 11287 1 290 . 1 1 30 30 CYS HB3 H 1 3.003 0.030 . 2 . . . . 30 CYS HB3 . 11287 1 291 . 1 1 30 30 CYS C C 13 177.229 0.300 . 1 . . . . 30 CYS C . 11287 1 292 . 1 1 30 30 CYS CA C 13 61.333 0.300 . 1 . . . . 30 CYS CA . 11287 1 293 . 1 1 30 30 CYS CB C 13 30.198 0.300 . 1 . . . . 30 CYS CB . 11287 1 294 . 1 1 30 30 CYS N N 15 125.380 0.300 . 1 . . . . 30 CYS N . 11287 1 295 . 1 1 31 31 VAL H H 1 7.711 0.030 . 1 . . . . 31 VAL H . 11287 1 296 . 1 1 31 31 VAL HA H 1 4.444 0.030 . 1 . . . . 31 VAL HA . 11287 1 297 . 1 1 31 31 VAL HB H 1 2.418 0.030 . 1 . . . . 31 VAL HB . 11287 1 298 . 1 1 31 31 VAL HG11 H 1 0.987 0.030 . 1 . . . . 31 VAL HG1 . 11287 1 299 . 1 1 31 31 VAL HG12 H 1 0.987 0.030 . 1 . . . . 31 VAL HG1 . 11287 1 300 . 1 1 31 31 VAL HG13 H 1 0.987 0.030 . 1 . . . . 31 VAL HG1 . 11287 1 301 . 1 1 31 31 VAL HG21 H 1 0.760 0.030 . 1 . . . . 31 VAL HG2 . 11287 1 302 . 1 1 31 31 VAL HG22 H 1 0.760 0.030 . 1 . . . . 31 VAL HG2 . 11287 1 303 . 1 1 31 31 VAL HG23 H 1 0.760 0.030 . 1 . . . . 31 VAL HG2 . 11287 1 304 . 1 1 31 31 VAL C C 13 176.622 0.300 . 1 . . . . 31 VAL C . 11287 1 305 . 1 1 31 31 VAL CA C 13 61.772 0.300 . 1 . . . . 31 VAL CA . 11287 1 306 . 1 1 31 31 VAL CB C 13 31.911 0.300 . 1 . . . . 31 VAL CB . 11287 1 307 . 1 1 31 31 VAL CG1 C 13 20.992 0.300 . 2 . . . . 31 VAL CG1 . 11287 1 308 . 1 1 31 31 VAL CG2 C 13 17.887 0.300 . 2 . . . . 31 VAL CG2 . 11287 1 309 . 1 1 31 31 VAL N N 15 120.650 0.300 . 1 . . . . 31 VAL N . 11287 1 310 . 1 1 32 32 HIS H H 1 9.241 0.030 . 1 . . . . 32 HIS H . 11287 1 311 . 1 1 32 32 HIS HA H 1 4.113 0.030 . 1 . . . . 32 HIS HA . 11287 1 312 . 1 1 32 32 HIS HB2 H 1 2.626 0.030 . 2 . . . . 32 HIS HB2 . 11287 1 313 . 1 1 32 32 HIS HB3 H 1 2.696 0.030 . 2 . . . . 32 HIS HB3 . 11287 1 314 . 1 1 32 32 HIS HD2 H 1 6.446 0.030 . 1 . . . . 32 HIS HD2 . 11287 1 315 . 1 1 32 32 HIS HE1 H 1 7.638 0.030 . 1 . . . . 32 HIS HE1 . 11287 1 316 . 1 1 32 32 HIS C C 13 176.088 0.300 . 1 . . . . 32 HIS C . 11287 1 317 . 1 1 32 32 HIS CA C 13 58.309 0.300 . 1 . . . . 32 HIS CA . 11287 1 318 . 1 1 32 32 HIS CB C 13 30.425 0.300 . 1 . . . . 32 HIS CB . 11287 1 319 . 1 1 32 32 HIS CD2 C 13 120.206 0.300 . 1 . . . . 32 HIS CD2 . 11287 1 320 . 1 1 32 32 HIS CE1 C 13 138.189 0.300 . 1 . . . . 32 HIS CE1 . 11287 1 321 . 1 1 32 32 HIS N N 15 126.990 0.300 . 1 . . . . 32 HIS N . 11287 1 322 . 1 1 33 33 GLN H H 1 8.584 0.030 . 1 . . . . 33 GLN H . 11287 1 323 . 1 1 33 33 GLN HA H 1 3.934 0.030 . 1 . . . . 33 GLN HA . 11287 1 324 . 1 1 33 33 GLN HB2 H 1 1.934 0.030 . 2 . . . . 33 GLN HB2 . 11287 1 325 . 1 1 33 33 GLN HB3 H 1 1.973 0.030 . 2 . . . . 33 GLN HB3 . 11287 1 326 . 1 1 33 33 GLN HE21 H 1 7.554 0.030 . 2 . . . . 33 GLN HE21 . 11287 1 327 . 1 1 33 33 GLN HE22 H 1 6.862 0.030 . 2 . . . . 33 GLN HE22 . 11287 1 328 . 1 1 33 33 GLN HG2 H 1 2.345 0.030 . 1 . . . . 33 GLN HG2 . 11287 1 329 . 1 1 33 33 GLN HG3 H 1 2.345 0.030 . 1 . . . . 33 GLN HG3 . 11287 1 330 . 1 1 33 33 GLN C C 13 177.472 0.300 . 1 . . . . 33 GLN C . 11287 1 331 . 1 1 33 33 GLN CA C 13 57.652 0.300 . 1 . . . . 33 GLN CA . 11287 1 332 . 1 1 33 33 GLN CB C 13 28.094 0.300 . 1 . . . . 33 GLN CB . 11287 1 333 . 1 1 33 33 GLN CG C 13 33.551 0.300 . 1 . . . . 33 GLN CG . 11287 1 334 . 1 1 33 33 GLN N N 15 126.166 0.300 . 1 . . . . 33 GLN N . 11287 1 335 . 1 1 34 34 GLY H H 1 8.782 0.030 . 1 . . . . 34 GLY H . 11287 1 336 . 1 1 34 34 GLY HA2 H 1 3.544 0.030 . 2 . . . . 34 GLY HA2 . 11287 1 337 . 1 1 34 34 GLY HA3 H 1 4.056 0.030 . 2 . . . . 34 GLY HA3 . 11287 1 338 . 1 1 34 34 GLY C C 13 172.056 0.300 . 1 . . . . 34 GLY C . 11287 1 339 . 1 1 34 34 GLY CA C 13 45.344 0.300 . 1 . . . . 34 GLY CA . 11287 1 340 . 1 1 34 34 GLY N N 15 113.437 0.300 . 1 . . . . 34 GLY N . 11287 1 341 . 1 1 35 35 CYS H H 1 7.583 0.030 . 1 . . . . 35 CYS H . 11287 1 342 . 1 1 35 35 CYS HA H 1 4.444 0.030 . 1 . . . . 35 CYS HA . 11287 1 343 . 1 1 35 35 CYS HB2 H 1 2.749 0.030 . 2 . . . . 35 CYS HB2 . 11287 1 344 . 1 1 35 35 CYS HB3 H 1 3.256 0.030 . 2 . . . . 35 CYS HB3 . 11287 1 345 . 1 1 35 35 CYS C C 13 175.019 0.300 . 1 . . . . 35 CYS C . 11287 1 346 . 1 1 35 35 CYS CA C 13 59.681 0.300 . 1 . . . . 35 CYS CA . 11287 1 347 . 1 1 35 35 CYS CB C 13 30.697 0.300 . 1 . . . . 35 CYS CB . 11287 1 348 . 1 1 35 35 CYS N N 15 122.402 0.300 . 1 . . . . 35 CYS N . 11287 1 349 . 1 1 36 36 PHE H H 1 8.612 0.030 . 1 . . . . 36 PHE H . 11287 1 350 . 1 1 36 36 PHE HA H 1 4.703 0.030 . 1 . . . . 36 PHE HA . 11287 1 351 . 1 1 36 36 PHE HB2 H 1 3.331 0.030 . 2 . . . . 36 PHE HB2 . 11287 1 352 . 1 1 36 36 PHE HB3 H 1 2.835 0.030 . 2 . . . . 36 PHE HB3 . 11287 1 353 . 1 1 36 36 PHE HD1 H 1 7.159 0.030 . 1 . . . . 36 PHE HD1 . 11287 1 354 . 1 1 36 36 PHE HD2 H 1 7.159 0.030 . 1 . . . . 36 PHE HD2 . 11287 1 355 . 1 1 36 36 PHE HE1 H 1 7.279 0.030 . 1 . . . . 36 PHE HE1 . 11287 1 356 . 1 1 36 36 PHE HE2 H 1 7.279 0.030 . 1 . . . . 36 PHE HE2 . 11287 1 357 . 1 1 36 36 PHE HZ H 1 7.257 0.030 . 1 . . . . 36 PHE HZ . 11287 1 358 . 1 1 36 36 PHE C C 13 175.237 0.300 . 1 . . . . 36 PHE C . 11287 1 359 . 1 1 36 36 PHE CA C 13 57.384 0.300 . 1 . . . . 36 PHE CA . 11287 1 360 . 1 1 36 36 PHE CB C 13 38.058 0.300 . 1 . . . . 36 PHE CB . 11287 1 361 . 1 1 36 36 PHE CD1 C 13 131.973 0.300 . 1 . . . . 36 PHE CD1 . 11287 1 362 . 1 1 36 36 PHE CD2 C 13 131.973 0.300 . 1 . . . . 36 PHE CD2 . 11287 1 363 . 1 1 36 36 PHE CE1 C 13 131.197 0.300 . 1 . . . . 36 PHE CE1 . 11287 1 364 . 1 1 36 36 PHE CE2 C 13 131.197 0.300 . 1 . . . . 36 PHE CE2 . 11287 1 365 . 1 1 36 36 PHE CZ C 13 129.365 0.300 . 1 . . . . 36 PHE CZ . 11287 1 366 . 1 1 37 37 ALA H H 1 8.222 0.030 . 1 . . . . 37 ALA H . 11287 1 367 . 1 1 37 37 ALA HA H 1 3.920 0.030 . 1 . . . . 37 ALA HA . 11287 1 368 . 1 1 37 37 ALA HB1 H 1 0.865 0.030 . 1 . . . . 37 ALA HB . 11287 1 369 . 1 1 37 37 ALA HB2 H 1 0.865 0.030 . 1 . . . . 37 ALA HB . 11287 1 370 . 1 1 37 37 ALA HB3 H 1 0.865 0.030 . 1 . . . . 37 ALA HB . 11287 1 371 . 1 1 37 37 ALA C C 13 175.310 0.300 . 1 . . . . 37 ALA C . 11287 1 372 . 1 1 37 37 ALA CA C 13 53.733 0.300 . 1 . . . . 37 ALA CA . 11287 1 373 . 1 1 37 37 ALA CB C 13 19.715 0.300 . 1 . . . . 37 ALA CB . 11287 1 374 . 1 1 37 37 ALA N N 15 126.231 0.300 . 1 . . . . 37 ALA N . 11287 1 375 . 1 1 38 38 ALA H H 1 7.364 0.030 . 1 . . . . 38 ALA H . 11287 1 376 . 1 1 38 38 ALA HA H 1 4.869 0.030 . 1 . . . . 38 ALA HA . 11287 1 377 . 1 1 38 38 ALA HB1 H 1 1.159 0.030 . 1 . . . . 38 ALA HB . 11287 1 378 . 1 1 38 38 ALA HB2 H 1 1.159 0.030 . 1 . . . . 38 ALA HB . 11287 1 379 . 1 1 38 38 ALA HB3 H 1 1.159 0.030 . 1 . . . . 38 ALA HB . 11287 1 380 . 1 1 38 38 ALA C C 13 175.456 0.300 . 1 . . . . 38 ALA C . 11287 1 381 . 1 1 38 38 ALA CA C 13 51.061 0.300 . 1 . . . . 38 ALA CA . 11287 1 382 . 1 1 38 38 ALA CB C 13 22.347 0.300 . 1 . . . . 38 ALA CB . 11287 1 383 . 1 1 38 38 ALA N N 15 122.008 0.300 . 1 . . . . 38 ALA N . 11287 1 384 . 1 1 39 39 PHE H H 1 8.662 0.030 . 1 . . . . 39 PHE H . 11287 1 385 . 1 1 39 39 PHE HA H 1 4.857 0.030 . 1 . . . . 39 PHE HA . 11287 1 386 . 1 1 39 39 PHE HB2 H 1 3.664 0.030 . 2 . . . . 39 PHE HB2 . 11287 1 387 . 1 1 39 39 PHE HB3 H 1 2.578 0.030 . 2 . . . . 39 PHE HB3 . 11287 1 388 . 1 1 39 39 PHE HD1 H 1 7.282 0.030 . 1 . . . . 39 PHE HD1 . 11287 1 389 . 1 1 39 39 PHE HD2 H 1 7.282 0.030 . 1 . . . . 39 PHE HD2 . 11287 1 390 . 1 1 39 39 PHE HE1 H 1 6.854 0.030 . 1 . . . . 39 PHE HE1 . 11287 1 391 . 1 1 39 39 PHE HE2 H 1 6.854 0.030 . 1 . . . . 39 PHE HE2 . 11287 1 392 . 1 1 39 39 PHE HZ H 1 6.737 0.030 . 1 . . . . 39 PHE HZ . 11287 1 393 . 1 1 39 39 PHE C C 13 175.140 0.300 . 1 . . . . 39 PHE C . 11287 1 394 . 1 1 39 39 PHE CA C 13 57.665 0.300 . 1 . . . . 39 PHE CA . 11287 1 395 . 1 1 39 39 PHE CB C 13 43.525 0.300 . 1 . . . . 39 PHE CB . 11287 1 396 . 1 1 39 39 PHE CD1 C 13 132.266 0.300 . 1 . . . . 39 PHE CD1 . 11287 1 397 . 1 1 39 39 PHE CD2 C 13 132.266 0.300 . 1 . . . . 39 PHE CD2 . 11287 1 398 . 1 1 39 39 PHE CE1 C 13 130.820 0.300 . 1 . . . . 39 PHE CE1 . 11287 1 399 . 1 1 39 39 PHE CE2 C 13 130.820 0.300 . 1 . . . . 39 PHE CE2 . 11287 1 400 . 1 1 39 39 PHE CZ C 13 129.618 0.300 . 1 . . . . 39 PHE CZ . 11287 1 401 . 1 1 39 39 PHE N N 15 117.177 0.300 . 1 . . . . 39 PHE N . 11287 1 402 . 1 1 40 40 THR H H 1 9.260 0.030 . 1 . . . . 40 THR H . 11287 1 403 . 1 1 40 40 THR HA H 1 4.483 0.030 . 1 . . . . 40 THR HA . 11287 1 404 . 1 1 40 40 THR HB H 1 4.402 0.030 . 1 . . . . 40 THR HB . 11287 1 405 . 1 1 40 40 THR HG21 H 1 1.415 0.030 . 1 . . . . 40 THR HG2 . 11287 1 406 . 1 1 40 40 THR HG22 H 1 1.415 0.030 . 1 . . . . 40 THR HG2 . 11287 1 407 . 1 1 40 40 THR HG23 H 1 1.415 0.030 . 1 . . . . 40 THR HG2 . 11287 1 408 . 1 1 40 40 THR C C 13 174.217 0.300 . 1 . . . . 40 THR C . 11287 1 409 . 1 1 40 40 THR CA C 13 64.447 0.300 . 1 . . . . 40 THR CA . 11287 1 410 . 1 1 40 40 THR CB C 13 69.834 0.300 . 1 . . . . 40 THR CB . 11287 1 411 . 1 1 40 40 THR CG2 C 13 22.866 0.300 . 1 . . . . 40 THR CG2 . 11287 1 412 . 1 1 40 40 THR N N 15 115.833 0.300 . 1 . . . . 40 THR N . 11287 1 413 . 1 1 41 41 ILE H H 1 7.402 0.030 . 1 . . . . 41 ILE H . 11287 1 414 . 1 1 41 41 ILE HA H 1 4.617 0.030 . 1 . . . . 41 ILE HA . 11287 1 415 . 1 1 41 41 ILE HB H 1 2.016 0.030 . 1 . . . . 41 ILE HB . 11287 1 416 . 1 1 41 41 ILE HD11 H 1 0.868 0.030 . 1 . . . . 41 ILE HD1 . 11287 1 417 . 1 1 41 41 ILE HD12 H 1 0.868 0.030 . 1 . . . . 41 ILE HD1 . 11287 1 418 . 1 1 41 41 ILE HD13 H 1 0.868 0.030 . 1 . . . . 41 ILE HD1 . 11287 1 419 . 1 1 41 41 ILE HG12 H 1 1.246 0.030 . 2 . . . . 41 ILE HG12 . 11287 1 420 . 1 1 41 41 ILE HG13 H 1 1.367 0.030 . 2 . . . . 41 ILE HG13 . 11287 1 421 . 1 1 41 41 ILE HG21 H 1 0.986 0.030 . 1 . . . . 41 ILE HG2 . 11287 1 422 . 1 1 41 41 ILE HG22 H 1 0.986 0.030 . 1 . . . . 41 ILE HG2 . 11287 1 423 . 1 1 41 41 ILE HG23 H 1 0.986 0.030 . 1 . . . . 41 ILE HG2 . 11287 1 424 . 1 1 41 41 ILE C C 13 176.452 0.300 . 1 . . . . 41 ILE C . 11287 1 425 . 1 1 41 41 ILE CA C 13 59.498 0.300 . 1 . . . . 41 ILE CA . 11287 1 426 . 1 1 41 41 ILE CB C 13 40.910 0.300 . 1 . . . . 41 ILE CB . 11287 1 427 . 1 1 41 41 ILE CD1 C 13 12.921 0.300 . 1 . . . . 41 ILE CD1 . 11287 1 428 . 1 1 41 41 ILE CG1 C 13 26.782 0.300 . 1 . . . . 41 ILE CG1 . 11287 1 429 . 1 1 41 41 ILE CG2 C 13 17.894 0.300 . 1 . . . . 41 ILE CG2 . 11287 1 430 . 1 1 41 41 ILE N N 15 116.323 0.300 . 1 . . . . 41 ILE N . 11287 1 431 . 1 1 42 42 GLN H H 1 8.582 0.030 . 1 . . . . 42 GLN H . 11287 1 432 . 1 1 42 42 GLN HA H 1 2.875 0.030 . 1 . . . . 42 GLN HA . 11287 1 433 . 1 1 42 42 GLN HB2 H 1 1.669 0.030 . 2 . . . . 42 GLN HB2 . 11287 1 434 . 1 1 42 42 GLN HB3 H 1 1.121 0.030 . 2 . . . . 42 GLN HB3 . 11287 1 435 . 1 1 42 42 GLN HE21 H 1 6.860 0.030 . 2 . . . . 42 GLN HE21 . 11287 1 436 . 1 1 42 42 GLN HE22 H 1 7.219 0.030 . 2 . . . . 42 GLN HE22 . 11287 1 437 . 1 1 42 42 GLN HG2 H 1 1.860 0.030 . 2 . . . . 42 GLN HG2 . 11287 1 438 . 1 1 42 42 GLN HG3 H 1 1.969 0.030 . 2 . . . . 42 GLN HG3 . 11287 1 439 . 1 1 42 42 GLN C C 13 178.468 0.300 . 1 . . . . 42 GLN C . 11287 1 440 . 1 1 42 42 GLN CA C 13 59.740 0.300 . 1 . . . . 42 GLN CA . 11287 1 441 . 1 1 42 42 GLN CB C 13 27.675 0.300 . 1 . . . . 42 GLN CB . 11287 1 442 . 1 1 42 42 GLN CG C 13 33.828 0.300 . 1 . . . . 42 GLN CG . 11287 1 443 . 1 1 42 42 GLN N N 15 128.858 0.300 . 1 . . . . 42 GLN N . 11287 1 444 . 1 1 42 42 GLN NE2 N 15 110.735 0.300 . 1 . . . . 42 GLN NE2 . 11287 1 445 . 1 1 43 43 GLN H H 1 8.849 0.030 . 1 . . . . 43 GLN H . 11287 1 446 . 1 1 43 43 GLN HA H 1 3.852 0.030 . 1 . . . . 43 GLN HA . 11287 1 447 . 1 1 43 43 GLN HB2 H 1 2.012 0.030 . 2 . . . . 43 GLN HB2 . 11287 1 448 . 1 1 43 43 GLN HB3 H 1 1.731 0.030 . 2 . . . . 43 GLN HB3 . 11287 1 449 . 1 1 43 43 GLN HE21 H 1 6.855 0.030 . 2 . . . . 43 GLN HE21 . 11287 1 450 . 1 1 43 43 GLN HE22 H 1 7.279 0.030 . 2 . . . . 43 GLN HE22 . 11287 1 451 . 1 1 43 43 GLN HG2 H 1 2.275 0.030 . 2 . . . . 43 GLN HG2 . 11287 1 452 . 1 1 43 43 GLN HG3 H 1 2.398 0.030 . 2 . . . . 43 GLN HG3 . 11287 1 453 . 1 1 43 43 GLN C C 13 177.399 0.300 . 1 . . . . 43 GLN C . 11287 1 454 . 1 1 43 43 GLN CA C 13 58.858 0.300 . 1 . . . . 43 GLN CA . 11287 1 455 . 1 1 43 43 GLN CB C 13 28.134 0.300 . 1 . . . . 43 GLN CB . 11287 1 456 . 1 1 43 43 GLN CG C 13 33.383 0.300 . 1 . . . . 43 GLN CG . 11287 1 457 . 1 1 43 43 GLN N N 15 117.446 0.300 . 1 . . . . 43 GLN N . 11287 1 458 . 1 1 43 43 GLN NE2 N 15 111.218 0.300 . 1 . . . . 43 GLN NE2 . 11287 1 459 . 1 1 44 44 ASN H H 1 6.904 0.030 . 1 . . . . 44 ASN H . 11287 1 460 . 1 1 44 44 ASN HA H 1 4.465 0.030 . 1 . . . . 44 ASN HA . 11287 1 461 . 1 1 44 44 ASN HB2 H 1 2.768 0.030 . 2 . . . . 44 ASN HB2 . 11287 1 462 . 1 1 44 44 ASN HB3 H 1 2.539 0.030 . 2 . . . . 44 ASN HB3 . 11287 1 463 . 1 1 44 44 ASN HD21 H 1 7.303 0.030 . 2 . . . . 44 ASN HD21 . 11287 1 464 . 1 1 44 44 ASN HD22 H 1 8.114 0.030 . 2 . . . . 44 ASN HD22 . 11287 1 465 . 1 1 44 44 ASN C C 13 177.254 0.300 . 1 . . . . 44 ASN C . 11287 1 466 . 1 1 44 44 ASN CA C 13 54.524 0.300 . 1 . . . . 44 ASN CA . 11287 1 467 . 1 1 44 44 ASN CB C 13 37.267 0.300 . 1 . . . . 44 ASN CB . 11287 1 468 . 1 1 44 44 ASN N N 15 114.336 0.300 . 1 . . . . 44 ASN N . 11287 1 469 . 1 1 44 44 ASN ND2 N 15 113.257 0.300 . 1 . . . . 44 ASN ND2 . 11287 1 470 . 1 1 45 45 LEU H H 1 6.914 0.030 . 1 . . . . 45 LEU H . 11287 1 471 . 1 1 45 45 LEU HA H 1 3.468 0.030 . 1 . . . . 45 LEU HA . 11287 1 472 . 1 1 45 45 LEU HB2 H 1 2.068 0.030 . 2 . . . . 45 LEU HB2 . 11287 1 473 . 1 1 45 45 LEU HB3 H 1 1.225 0.030 . 2 . . . . 45 LEU HB3 . 11287 1 474 . 1 1 45 45 LEU HD11 H 1 0.865 0.030 . 1 . . . . 45 LEU HD1 . 11287 1 475 . 1 1 45 45 LEU HD12 H 1 0.865 0.030 . 1 . . . . 45 LEU HD1 . 11287 1 476 . 1 1 45 45 LEU HD13 H 1 0.865 0.030 . 1 . . . . 45 LEU HD1 . 11287 1 477 . 1 1 45 45 LEU HD21 H 1 1.029 0.030 . 1 . . . . 45 LEU HD2 . 11287 1 478 . 1 1 45 45 LEU HD22 H 1 1.029 0.030 . 1 . . . . 45 LEU HD2 . 11287 1 479 . 1 1 45 45 LEU HD23 H 1 1.029 0.030 . 1 . . . . 45 LEU HD2 . 11287 1 480 . 1 1 45 45 LEU HG H 1 1.371 0.030 . 1 . . . . 45 LEU HG . 11287 1 481 . 1 1 45 45 LEU C C 13 177.035 0.300 . 1 . . . . 45 LEU C . 11287 1 482 . 1 1 45 45 LEU CA C 13 57.391 0.300 . 1 . . . . 45 LEU CA . 11287 1 483 . 1 1 45 45 LEU CB C 13 40.547 0.300 . 1 . . . . 45 LEU CB . 11287 1 484 . 1 1 45 45 LEU CD1 C 13 21.813 0.300 . 2 . . . . 45 LEU CD1 . 11287 1 485 . 1 1 45 45 LEU CD2 C 13 26.551 0.300 . 2 . . . . 45 LEU CD2 . 11287 1 486 . 1 1 45 45 LEU CG C 13 26.992 0.300 . 1 . . . . 45 LEU CG . 11287 1 487 . 1 1 45 45 LEU N N 15 123.492 0.300 . 1 . . . . 45 LEU N . 11287 1 488 . 1 1 46 46 ILE H H 1 7.483 0.030 . 1 . . . . 46 ILE H . 11287 1 489 . 1 1 46 46 ILE HA H 1 3.620 0.030 . 1 . . . . 46 ILE HA . 11287 1 490 . 1 1 46 46 ILE HB H 1 1.886 0.030 . 1 . . . . 46 ILE HB . 11287 1 491 . 1 1 46 46 ILE HD11 H 1 0.776 0.030 . 1 . . . . 46 ILE HD1 . 11287 1 492 . 1 1 46 46 ILE HD12 H 1 0.776 0.030 . 1 . . . . 46 ILE HD1 . 11287 1 493 . 1 1 46 46 ILE HD13 H 1 0.776 0.030 . 1 . . . . 46 ILE HD1 . 11287 1 494 . 1 1 46 46 ILE HG12 H 1 1.476 0.030 . 2 . . . . 46 ILE HG12 . 11287 1 495 . 1 1 46 46 ILE HG13 H 1 1.196 0.030 . 2 . . . . 46 ILE HG13 . 11287 1 496 . 1 1 46 46 ILE HG21 H 1 0.891 0.030 . 1 . . . . 46 ILE HG2 . 11287 1 497 . 1 1 46 46 ILE HG22 H 1 0.891 0.030 . 1 . . . . 46 ILE HG2 . 11287 1 498 . 1 1 46 46 ILE HG23 H 1 0.891 0.030 . 1 . . . . 46 ILE HG2 . 11287 1 499 . 1 1 46 46 ILE C C 13 178.905 0.300 . 1 . . . . 46 ILE C . 11287 1 500 . 1 1 46 46 ILE CA C 13 65.250 0.300 . 1 . . . . 46 ILE CA . 11287 1 501 . 1 1 46 46 ILE CB C 13 36.999 0.300 . 1 . . . . 46 ILE CB . 11287 1 502 . 1 1 46 46 ILE CD1 C 13 12.134 0.300 . 1 . . . . 46 ILE CD1 . 11287 1 503 . 1 1 46 46 ILE CG1 C 13 28.959 0.300 . 1 . . . . 46 ILE CG1 . 11287 1 504 . 1 1 46 46 ILE CG2 C 13 17.099 0.300 . 1 . . . . 46 ILE CG2 . 11287 1 505 . 1 1 46 46 ILE N N 15 119.918 0.300 . 1 . . . . 46 ILE N . 11287 1 506 . 1 1 47 47 LEU H H 1 7.739 0.030 . 1 . . . . 47 LEU H . 11287 1 507 . 1 1 47 47 LEU HA H 1 4.037 0.030 . 1 . . . . 47 LEU HA . 11287 1 508 . 1 1 47 47 LEU HB2 H 1 1.645 0.030 . 2 . . . . 47 LEU HB2 . 11287 1 509 . 1 1 47 47 LEU HB3 H 1 1.493 0.030 . 2 . . . . 47 LEU HB3 . 11287 1 510 . 1 1 47 47 LEU HD11 H 1 0.900 0.030 . 1 . . . . 47 LEU HD1 . 11287 1 511 . 1 1 47 47 LEU HD12 H 1 0.900 0.030 . 1 . . . . 47 LEU HD1 . 11287 1 512 . 1 1 47 47 LEU HD13 H 1 0.900 0.030 . 1 . . . . 47 LEU HD1 . 11287 1 513 . 1 1 47 47 LEU HD21 H 1 0.850 0.030 . 1 . . . . 47 LEU HD2 . 11287 1 514 . 1 1 47 47 LEU HD22 H 1 0.850 0.030 . 1 . . . . 47 LEU HD2 . 11287 1 515 . 1 1 47 47 LEU HD23 H 1 0.850 0.030 . 1 . . . . 47 LEU HD2 . 11287 1 516 . 1 1 47 47 LEU HG H 1 1.758 0.030 . 1 . . . . 47 LEU HG . 11287 1 517 . 1 1 47 47 LEU C C 13 179.124 0.300 . 1 . . . . 47 LEU C . 11287 1 518 . 1 1 47 47 LEU CA C 13 57.811 0.300 . 1 . . . . 47 LEU CA . 11287 1 519 . 1 1 47 47 LEU CB C 13 41.539 0.300 . 1 . . . . 47 LEU CB . 11287 1 520 . 1 1 47 47 LEU CD1 C 13 24.949 0.300 . 2 . . . . 47 LEU CD1 . 11287 1 521 . 1 1 47 47 LEU CD2 C 13 22.814 0.300 . 2 . . . . 47 LEU CD2 . 11287 1 522 . 1 1 47 47 LEU CG C 13 26.792 0.300 . 1 . . . . 47 LEU CG . 11287 1 523 . 1 1 47 47 LEU N N 15 118.457 0.300 . 1 . . . . 47 LEU N . 11287 1 524 . 1 1 48 48 HIS H H 1 7.379 0.030 . 1 . . . . 48 HIS H . 11287 1 525 . 1 1 48 48 HIS HA H 1 4.278 0.030 . 1 . . . . 48 HIS HA . 11287 1 526 . 1 1 48 48 HIS HB2 H 1 3.480 0.030 . 2 . . . . 48 HIS HB2 . 11287 1 527 . 1 1 48 48 HIS HB3 H 1 2.972 0.030 . 2 . . . . 48 HIS HB3 . 11287 1 528 . 1 1 48 48 HIS HD2 H 1 6.976 0.030 . 1 . . . . 48 HIS HD2 . 11287 1 529 . 1 1 48 48 HIS HE1 H 1 7.913 0.030 . 1 . . . . 48 HIS HE1 . 11287 1 530 . 1 1 48 48 HIS C C 13 176.986 0.300 . 1 . . . . 48 HIS C . 11287 1 531 . 1 1 48 48 HIS CA C 13 59.698 0.300 . 1 . . . . 48 HIS CA . 11287 1 532 . 1 1 48 48 HIS CB C 13 28.612 0.300 . 1 . . . . 48 HIS CB . 11287 1 533 . 1 1 48 48 HIS CD2 C 13 126.996 0.300 . 1 . . . . 48 HIS CD2 . 11287 1 534 . 1 1 48 48 HIS CE1 C 13 140.171 0.300 . 1 . . . . 48 HIS CE1 . 11287 1 535 . 1 1 48 48 HIS N N 15 119.669 0.300 . 1 . . . . 48 HIS N . 11287 1 536 . 1 1 49 49 TYR H H 1 8.535 0.030 . 1 . . . . 49 TYR H . 11287 1 537 . 1 1 49 49 TYR HA H 1 4.121 0.030 . 1 . . . . 49 TYR HA . 11287 1 538 . 1 1 49 49 TYR HB2 H 1 3.222 0.030 . 1 . . . . 49 TYR HB2 . 11287 1 539 . 1 1 49 49 TYR HB3 H 1 3.222 0.030 . 1 . . . . 49 TYR HB3 . 11287 1 540 . 1 1 49 49 TYR HD1 H 1 7.201 0.030 . 1 . . . . 49 TYR HD1 . 11287 1 541 . 1 1 49 49 TYR HD2 H 1 7.201 0.030 . 1 . . . . 49 TYR HD2 . 11287 1 542 . 1 1 49 49 TYR HE1 H 1 7.260 0.030 . 1 . . . . 49 TYR HE1 . 11287 1 543 . 1 1 49 49 TYR HE2 H 1 7.260 0.030 . 1 . . . . 49 TYR HE2 . 11287 1 544 . 1 1 49 49 TYR C C 13 178.954 0.300 . 1 . . . . 49 TYR C . 11287 1 545 . 1 1 49 49 TYR CA C 13 61.821 0.300 . 1 . . . . 49 TYR CA . 11287 1 546 . 1 1 49 49 TYR CB C 13 37.267 0.300 . 1 . . . . 49 TYR CB . 11287 1 547 . 1 1 49 49 TYR CD1 C 13 131.811 0.300 . 1 . . . . 49 TYR CD1 . 11287 1 548 . 1 1 49 49 TYR CD2 C 13 131.811 0.300 . 1 . . . . 49 TYR CD2 . 11287 1 549 . 1 1 49 49 TYR CE1 C 13 119.410 0.300 . 1 . . . . 49 TYR CE1 . 11287 1 550 . 1 1 49 49 TYR CE2 C 13 119.410 0.300 . 1 . . . . 49 TYR CE2 . 11287 1 551 . 1 1 49 49 TYR N N 15 119.861 0.300 . 1 . . . . 49 TYR N . 11287 1 552 . 1 1 50 50 GLN H H 1 7.783 0.030 . 1 . . . . 50 GLN H . 11287 1 553 . 1 1 50 50 GLN HA H 1 4.054 0.030 . 1 . . . . 50 GLN HA . 11287 1 554 . 1 1 50 50 GLN HB2 H 1 2.171 0.030 . 2 . . . . 50 GLN HB2 . 11287 1 555 . 1 1 50 50 GLN HB3 H 1 2.046 0.030 . 2 . . . . 50 GLN HB3 . 11287 1 556 . 1 1 50 50 GLN HE21 H 1 6.678 0.030 . 2 . . . . 50 GLN HE21 . 11287 1 557 . 1 1 50 50 GLN HE22 H 1 7.376 0.030 . 2 . . . . 50 GLN HE22 . 11287 1 558 . 1 1 50 50 GLN HG2 H 1 2.580 0.030 . 2 . . . . 50 GLN HG2 . 11287 1 559 . 1 1 50 50 GLN HG3 H 1 2.370 0.030 . 2 . . . . 50 GLN HG3 . 11287 1 560 . 1 1 50 50 GLN C C 13 177.521 0.300 . 1 . . . . 50 GLN C . 11287 1 561 . 1 1 50 50 GLN CA C 13 58.618 0.300 . 1 . . . . 50 GLN CA . 11287 1 562 . 1 1 50 50 GLN CB C 13 28.885 0.300 . 1 . . . . 50 GLN CB . 11287 1 563 . 1 1 50 50 GLN CG C 13 33.849 0.300 . 1 . . . . 50 GLN CG . 11287 1 564 . 1 1 50 50 GLN N N 15 116.315 0.300 . 1 . . . . 50 GLN N . 11287 1 565 . 1 1 50 50 GLN NE2 N 15 110.592 0.300 . 1 . . . . 50 GLN NE2 . 11287 1 566 . 1 1 51 51 ALA H H 1 8.270 0.030 . 1 . . . . 51 ALA H . 11287 1 567 . 1 1 51 51 ALA HA H 1 4.185 0.030 . 1 . . . . 51 ALA HA . 11287 1 568 . 1 1 51 51 ALA HB1 H 1 1.432 0.030 . 1 . . . . 51 ALA HB . 11287 1 569 . 1 1 51 51 ALA HB2 H 1 1.432 0.030 . 1 . . . . 51 ALA HB . 11287 1 570 . 1 1 51 51 ALA HB3 H 1 1.432 0.030 . 1 . . . . 51 ALA HB . 11287 1 571 . 1 1 51 51 ALA C C 13 179.367 0.300 . 1 . . . . 51 ALA C . 11287 1 572 . 1 1 51 51 ALA CA C 13 54.507 0.300 . 1 . . . . 51 ALA CA . 11287 1 573 . 1 1 51 51 ALA CB C 13 19.709 0.300 . 1 . . . . 51 ALA CB . 11287 1 574 . 1 1 51 51 ALA N N 15 119.658 0.300 . 1 . . . . 51 ALA N . 11287 1 575 . 1 1 52 52 VAL H H 1 8.178 0.030 . 1 . . . . 52 VAL H . 11287 1 576 . 1 1 52 52 VAL HA H 1 3.781 0.030 . 1 . . . . 52 VAL HA . 11287 1 577 . 1 1 52 52 VAL HB H 1 0.875 0.030 . 1 . . . . 52 VAL HB . 11287 1 578 . 1 1 52 52 VAL HG11 H 1 0.692 0.030 . 1 . . . . 52 VAL HG1 . 11287 1 579 . 1 1 52 52 VAL HG12 H 1 0.692 0.030 . 1 . . . . 52 VAL HG1 . 11287 1 580 . 1 1 52 52 VAL HG13 H 1 0.692 0.030 . 1 . . . . 52 VAL HG1 . 11287 1 581 . 1 1 52 52 VAL HG21 H 1 0.226 0.030 . 1 . . . . 52 VAL HG2 . 11287 1 582 . 1 1 52 52 VAL HG22 H 1 0.226 0.030 . 1 . . . . 52 VAL HG2 . 11287 1 583 . 1 1 52 52 VAL HG23 H 1 0.226 0.030 . 1 . . . . 52 VAL HG2 . 11287 1 584 . 1 1 52 52 VAL C C 13 176.379 0.300 . 1 . . . . 52 VAL C . 11287 1 585 . 1 1 52 52 VAL CA C 13 63.824 0.300 . 1 . . . . 52 VAL CA . 11287 1 586 . 1 1 52 52 VAL CB C 13 32.560 0.300 . 1 . . . . 52 VAL CB . 11287 1 587 . 1 1 52 52 VAL CG1 C 13 22.300 0.300 . 2 . . . . 52 VAL CG1 . 11287 1 588 . 1 1 52 52 VAL CG2 C 13 20.777 0.300 . 2 . . . . 52 VAL CG2 . 11287 1 589 . 1 1 52 52 VAL N N 15 114.573 0.300 . 1 . . . . 52 VAL N . 11287 1 590 . 1 1 53 53 HIS H H 1 6.787 0.030 . 1 . . . . 53 HIS H . 11287 1 591 . 1 1 53 53 HIS HA H 1 4.731 0.030 . 1 . . . . 53 HIS HA . 11287 1 592 . 1 1 53 53 HIS HB2 H 1 2.965 0.030 . 2 . . . . 53 HIS HB2 . 11287 1 593 . 1 1 53 53 HIS HB3 H 1 2.888 0.030 . 2 . . . . 53 HIS HB3 . 11287 1 594 . 1 1 53 53 HIS HD2 H 1 6.247 0.030 . 1 . . . . 53 HIS HD2 . 11287 1 595 . 1 1 53 53 HIS HE1 H 1 7.680 0.030 . 1 . . . . 53 HIS HE1 . 11287 1 596 . 1 1 53 53 HIS C C 13 174.533 0.300 . 1 . . . . 53 HIS C . 11287 1 597 . 1 1 53 53 HIS CA C 13 54.266 0.300 . 1 . . . . 53 HIS CA . 11287 1 598 . 1 1 53 53 HIS CB C 13 28.615 0.300 . 1 . . . . 53 HIS CB . 11287 1 599 . 1 1 53 53 HIS CD2 C 13 127.340 0.300 . 1 . . . . 53 HIS CD2 . 11287 1 600 . 1 1 53 53 HIS CE1 C 13 139.314 0.300 . 1 . . . . 53 HIS CE1 . 11287 1 601 . 1 1 53 53 HIS N N 15 115.373 0.300 . 1 . . . . 53 HIS N . 11287 1 602 . 1 1 54 54 LYS H H 1 7.437 0.030 . 1 . . . . 54 LYS H . 11287 1 603 . 1 1 54 54 LYS HA H 1 4.162 0.030 . 1 . . . . 54 LYS HA . 11287 1 604 . 1 1 54 54 LYS HB2 H 1 1.891 0.030 . 1 . . . . 54 LYS HB2 . 11287 1 605 . 1 1 54 54 LYS HB3 H 1 1.891 0.030 . 1 . . . . 54 LYS HB3 . 11287 1 606 . 1 1 54 54 LYS HD2 H 1 1.629 0.030 . 1 . . . . 54 LYS HD2 . 11287 1 607 . 1 1 54 54 LYS HD3 H 1 1.629 0.030 . 1 . . . . 54 LYS HD3 . 11287 1 608 . 1 1 54 54 LYS HE2 H 1 2.964 0.030 . 1 . . . . 54 LYS HE2 . 11287 1 609 . 1 1 54 54 LYS HE3 H 1 2.964 0.030 . 1 . . . . 54 LYS HE3 . 11287 1 610 . 1 1 54 54 LYS HG2 H 1 1.315 0.030 . 1 . . . . 54 LYS HG2 . 11287 1 611 . 1 1 54 54 LYS HG3 H 1 1.315 0.030 . 1 . . . . 54 LYS HG3 . 11287 1 612 . 1 1 54 54 LYS C C 13 176.258 0.300 . 1 . . . . 54 LYS C . 11287 1 613 . 1 1 54 54 LYS CA C 13 57.146 0.300 . 1 . . . . 54 LYS CA . 11287 1 614 . 1 1 54 54 LYS CB C 13 30.453 0.300 . 1 . . . . 54 LYS CB . 11287 1 615 . 1 1 54 54 LYS CD C 13 28.874 0.300 . 1 . . . . 54 LYS CD . 11287 1 616 . 1 1 54 54 LYS CE C 13 42.230 0.300 . 1 . . . . 54 LYS CE . 11287 1 617 . 1 1 54 54 LYS CG C 13 24.705 0.300 . 1 . . . . 54 LYS CG . 11287 1 618 . 1 1 54 54 LYS N N 15 117.917 0.300 . 1 . . . . 54 LYS N . 11287 1 619 . 1 1 55 55 SER H H 1 8.058 0.030 . 1 . . . . 55 SER H . 11287 1 620 . 1 1 55 55 SER HA H 1 4.498 0.030 . 1 . . . . 55 SER HA . 11287 1 621 . 1 1 55 55 SER HB2 H 1 3.725 0.030 . 2 . . . . 55 SER HB2 . 11287 1 622 . 1 1 55 55 SER HB3 H 1 3.847 0.030 . 2 . . . . 55 SER HB3 . 11287 1 623 . 1 1 55 55 SER C C 13 173.513 0.300 . 1 . . . . 55 SER C . 11287 1 624 . 1 1 55 55 SER CA C 13 57.924 0.300 . 1 . . . . 55 SER CA . 11287 1 625 . 1 1 55 55 SER CB C 13 64.635 0.300 . 1 . . . . 55 SER CB . 11287 1 626 . 1 1 55 55 SER N N 15 113.404 0.300 . 1 . . . . 55 SER N . 11287 1 627 . 1 1 56 56 ASP H H 1 8.188 0.030 . 1 . . . . 56 ASP H . 11287 1 628 . 1 1 56 56 ASP HA H 1 4.651 0.030 . 1 . . . . 56 ASP HA . 11287 1 629 . 1 1 56 56 ASP HB2 H 1 2.520 0.030 . 2 . . . . 56 ASP HB2 . 11287 1 630 . 1 1 56 56 ASP HB3 H 1 2.662 0.030 . 2 . . . . 56 ASP HB3 . 11287 1 631 . 1 1 56 56 ASP C C 13 175.748 0.300 . 1 . . . . 56 ASP C . 11287 1 632 . 1 1 56 56 ASP CA C 13 53.990 0.300 . 1 . . . . 56 ASP CA . 11287 1 633 . 1 1 56 56 ASP CB C 13 41.471 0.300 . 1 . . . . 56 ASP CB . 11287 1 634 . 1 1 56 56 ASP N N 15 121.111 0.300 . 1 . . . . 56 ASP N . 11287 1 635 . 1 1 57 57 LEU H H 1 8.127 0.030 . 1 . . . . 57 LEU H . 11287 1 636 . 1 1 57 57 LEU HA H 1 4.222 0.030 . 1 . . . . 57 LEU HA . 11287 1 637 . 1 1 57 57 LEU HB2 H 1 1.427 0.030 . 2 . . . . 57 LEU HB2 . 11287 1 638 . 1 1 57 57 LEU HB3 H 1 1.489 0.030 . 2 . . . . 57 LEU HB3 . 11287 1 639 . 1 1 57 57 LEU HD11 H 1 0.826 0.030 . 1 . . . . 57 LEU HD1 . 11287 1 640 . 1 1 57 57 LEU HD12 H 1 0.826 0.030 . 1 . . . . 57 LEU HD1 . 11287 1 641 . 1 1 57 57 LEU HD13 H 1 0.826 0.030 . 1 . . . . 57 LEU HD1 . 11287 1 642 . 1 1 57 57 LEU HD21 H 1 0.791 0.030 . 1 . . . . 57 LEU HD2 . 11287 1 643 . 1 1 57 57 LEU HD22 H 1 0.791 0.030 . 1 . . . . 57 LEU HD2 . 11287 1 644 . 1 1 57 57 LEU HD23 H 1 0.791 0.030 . 1 . . . . 57 LEU HD2 . 11287 1 645 . 1 1 57 57 LEU HG H 1 1.557 0.030 . 1 . . . . 57 LEU HG . 11287 1 646 . 1 1 57 57 LEU C C 13 175.043 0.300 . 1 . . . . 57 LEU C . 11287 1 647 . 1 1 57 57 LEU CA C 13 53.208 0.300 . 1 . . . . 57 LEU CA . 11287 1 648 . 1 1 57 57 LEU CB C 13 41.967 0.300 . 1 . . . . 57 LEU CB . 11287 1 649 . 1 1 57 57 LEU CD1 C 13 25.216 0.300 . 2 . . . . 57 LEU CD1 . 11287 1 650 . 1 1 57 57 LEU CD2 C 13 24.159 0.300 . 2 . . . . 57 LEU CD2 . 11287 1 651 . 1 1 57 57 LEU CG C 13 26.837 0.300 . 1 . . . . 57 LEU CG . 11287 1 652 . 1 1 57 57 LEU N N 15 122.928 0.300 . 1 . . . . 57 LEU N . 11287 1 653 . 1 1 58 58 PRO HA H 1 4.249 0.030 . 1 . . . . 58 PRO HA . 11287 1 654 . 1 1 58 58 PRO HB2 H 1 1.679 0.030 . 2 . . . . 58 PRO HB2 . 11287 1 655 . 1 1 58 58 PRO HB3 H 1 2.105 0.030 . 2 . . . . 58 PRO HB3 . 11287 1 656 . 1 1 58 58 PRO HD2 H 1 3.342 0.030 . 2 . . . . 58 PRO HD2 . 11287 1 657 . 1 1 58 58 PRO HD3 H 1 3.522 0.030 . 2 . . . . 58 PRO HD3 . 11287 1 658 . 1 1 58 58 PRO HG2 H 1 1.833 0.030 . 2 . . . . 58 PRO HG2 . 11287 1 659 . 1 1 58 58 PRO HG3 H 1 1.874 0.030 . 2 . . . . 58 PRO HG3 . 11287 1 660 . 1 1 58 58 PRO C C 13 176.331 0.300 . 1 . . . . 58 PRO C . 11287 1 661 . 1 1 58 58 PRO CA C 13 62.934 0.300 . 1 . . . . 58 PRO CA . 11287 1 662 . 1 1 58 58 PRO CB C 13 31.996 0.300 . 1 . . . . 58 PRO CB . 11287 1 663 . 1 1 58 58 PRO CD C 13 50.571 0.300 . 1 . . . . 58 PRO CD . 11287 1 664 . 1 1 58 58 PRO CG C 13 27.375 0.300 . 1 . . . . 58 PRO CG . 11287 1 665 . 1 1 59 59 ALA H H 1 8.182 0.030 . 1 . . . . 59 ALA H . 11287 1 666 . 1 1 59 59 ALA HA H 1 4.180 0.030 . 1 . . . . 59 ALA HA . 11287 1 667 . 1 1 59 59 ALA HB1 H 1 1.247 0.030 . 1 . . . . 59 ALA HB . 11287 1 668 . 1 1 59 59 ALA HB2 H 1 1.247 0.030 . 1 . . . . 59 ALA HB . 11287 1 669 . 1 1 59 59 ALA HB3 H 1 1.247 0.030 . 1 . . . . 59 ALA HB . 11287 1 670 . 1 1 59 59 ALA C C 13 177.351 0.300 . 1 . . . . 59 ALA C . 11287 1 671 . 1 1 59 59 ALA CA C 13 52.384 0.300 . 1 . . . . 59 ALA CA . 11287 1 672 . 1 1 59 59 ALA CB C 13 19.183 0.300 . 1 . . . . 59 ALA CB . 11287 1 673 . 1 1 59 59 ALA N N 15 123.552 0.300 . 1 . . . . 59 ALA N . 11287 1 674 . 1 1 60 60 PHE H H 1 8.041 0.030 . 1 . . . . 60 PHE H . 11287 1 675 . 1 1 60 60 PHE HA H 1 4.609 0.030 . 1 . . . . 60 PHE HA . 11287 1 676 . 1 1 60 60 PHE HB2 H 1 3.022 0.030 . 2 . . . . 60 PHE HB2 . 11287 1 677 . 1 1 60 60 PHE HB3 H 1 3.094 0.030 . 2 . . . . 60 PHE HB3 . 11287 1 678 . 1 1 60 60 PHE HD1 H 1 7.206 0.030 . 1 . . . . 60 PHE HD1 . 11287 1 679 . 1 1 60 60 PHE HD2 H 1 7.206 0.030 . 1 . . . . 60 PHE HD2 . 11287 1 680 . 1 1 60 60 PHE C C 13 175.505 0.300 . 1 . . . . 60 PHE C . 11287 1 681 . 1 1 60 60 PHE CA C 13 57.403 0.300 . 1 . . . . 60 PHE CA . 11287 1 682 . 1 1 60 60 PHE CB C 13 39.766 0.300 . 1 . . . . 60 PHE CB . 11287 1 683 . 1 1 60 60 PHE CD1 C 13 131.976 0.300 . 1 . . . . 60 PHE CD1 . 11287 1 684 . 1 1 60 60 PHE CD2 C 13 131.976 0.300 . 1 . . . . 60 PHE CD2 . 11287 1 685 . 1 1 60 60 PHE N N 15 118.815 0.300 . 1 . . . . 60 PHE N . 11287 1 686 . 1 1 61 61 SER H H 1 8.147 0.030 . 1 . . . . 61 SER H . 11287 1 687 . 1 1 61 61 SER HA H 1 4.384 0.030 . 1 . . . . 61 SER HA . 11287 1 688 . 1 1 61 61 SER HB2 H 1 3.777 0.030 . 1 . . . . 61 SER HB2 . 11287 1 689 . 1 1 61 61 SER HB3 H 1 3.777 0.030 . 1 . . . . 61 SER HB3 . 11287 1 690 . 1 1 61 61 SER C C 13 173.780 0.300 . 1 . . . . 61 SER C . 11287 1 691 . 1 1 61 61 SER CA C 13 57.919 0.300 . 1 . . . . 61 SER CA . 11287 1 692 . 1 1 61 61 SER CB C 13 63.975 0.300 . 1 . . . . 61 SER CB . 11287 1 693 . 1 1 61 61 SER N N 15 117.547 0.300 . 1 . . . . 61 SER N . 11287 1 694 . 1 1 62 62 ALA H H 1 8.305 0.030 . 1 . . . . 62 ALA H . 11287 1 695 . 1 1 62 62 ALA HA H 1 4.298 0.030 . 1 . . . . 62 ALA HA . 11287 1 696 . 1 1 62 62 ALA HB1 H 1 1.376 0.030 . 1 . . . . 62 ALA HB . 11287 1 697 . 1 1 62 62 ALA HB2 H 1 1.376 0.030 . 1 . . . . 62 ALA HB . 11287 1 698 . 1 1 62 62 ALA HB3 H 1 1.376 0.030 . 1 . . . . 62 ALA HB . 11287 1 699 . 1 1 62 62 ALA C C 13 177.496 0.300 . 1 . . . . 62 ALA C . 11287 1 700 . 1 1 62 62 ALA CA C 13 52.463 0.300 . 1 . . . . 62 ALA CA . 11287 1 701 . 1 1 62 62 ALA CB C 13 19.449 0.300 . 1 . . . . 62 ALA CB . 11287 1 702 . 1 1 62 62 ALA N N 15 126.369 0.300 . 1 . . . . 62 ALA N . 11287 1 703 . 1 1 63 63 GLU H H 1 8.345 0.030 . 1 . . . . 63 GLU H . 11287 1 704 . 1 1 63 63 GLU HA H 1 4.265 0.030 . 1 . . . . 63 GLU HA . 11287 1 705 . 1 1 63 63 GLU HB2 H 1 1.897 0.030 . 2 . . . . 63 GLU HB2 . 11287 1 706 . 1 1 63 63 GLU HB3 H 1 2.016 0.030 . 2 . . . . 63 GLU HB3 . 11287 1 707 . 1 1 63 63 GLU HG2 H 1 2.263 0.030 . 2 . . . . 63 GLU HG2 . 11287 1 708 . 1 1 63 63 GLU HG3 H 1 2.220 0.030 . 2 . . . . 63 GLU HG3 . 11287 1 709 . 1 1 63 63 GLU C C 13 176.452 0.300 . 1 . . . . 63 GLU C . 11287 1 710 . 1 1 63 63 GLU CA C 13 56.614 0.300 . 1 . . . . 63 GLU CA . 11287 1 711 . 1 1 63 63 GLU CB C 13 30.192 0.300 . 1 . . . . 63 GLU CB . 11287 1 712 . 1 1 63 63 GLU CG C 13 36.220 0.300 . 1 . . . . 63 GLU CG . 11287 1 713 . 1 1 63 63 GLU N N 15 120.055 0.300 . 1 . . . . 63 GLU N . 11287 1 714 . 1 1 64 64 VAL H H 1 8.128 0.030 . 1 . . . . 64 VAL H . 11287 1 715 . 1 1 64 64 VAL HA H 1 4.103 0.030 . 1 . . . . 64 VAL HA . 11287 1 716 . 1 1 64 64 VAL HB H 1 2.037 0.030 . 1 . . . . 64 VAL HB . 11287 1 717 . 1 1 64 64 VAL HG11 H 1 0.895 0.030 . 1 . . . . 64 VAL HG1 . 11287 1 718 . 1 1 64 64 VAL HG12 H 1 0.895 0.030 . 1 . . . . 64 VAL HG1 . 11287 1 719 . 1 1 64 64 VAL HG13 H 1 0.895 0.030 . 1 . . . . 64 VAL HG1 . 11287 1 720 . 1 1 64 64 VAL HG21 H 1 0.888 0.030 . 1 . . . . 64 VAL HG2 . 11287 1 721 . 1 1 64 64 VAL HG22 H 1 0.888 0.030 . 1 . . . . 64 VAL HG2 . 11287 1 722 . 1 1 64 64 VAL HG23 H 1 0.888 0.030 . 1 . . . . 64 VAL HG2 . 11287 1 723 . 1 1 64 64 VAL C C 13 176.088 0.300 . 1 . . . . 64 VAL C . 11287 1 724 . 1 1 64 64 VAL CA C 13 62.097 0.300 . 1 . . . . 64 VAL CA . 11287 1 725 . 1 1 64 64 VAL CB C 13 33.052 0.300 . 1 . . . . 64 VAL CB . 11287 1 726 . 1 1 64 64 VAL CG1 C 13 20.500 0.300 . 2 . . . . 64 VAL CG1 . 11287 1 727 . 1 1 64 64 VAL CG2 C 13 21.285 0.300 . 2 . . . . 64 VAL CG2 . 11287 1 728 . 1 1 64 64 VAL N N 15 120.914 0.300 . 1 . . . . 64 VAL N . 11287 1 729 . 1 1 65 65 GLU H H 1 8.470 0.030 . 1 . . . . 65 GLU H . 11287 1 730 . 1 1 65 65 GLU HA H 1 4.276 0.030 . 1 . . . . 65 GLU HA . 11287 1 731 . 1 1 65 65 GLU HB2 H 1 1.903 0.030 . 2 . . . . 65 GLU HB2 . 11287 1 732 . 1 1 65 65 GLU HB3 H 1 2.016 0.030 . 2 . . . . 65 GLU HB3 . 11287 1 733 . 1 1 65 65 GLU HG2 H 1 2.262 0.030 . 2 . . . . 65 GLU HG2 . 11287 1 734 . 1 1 65 65 GLU HG3 H 1 2.220 0.030 . 2 . . . . 65 GLU HG3 . 11287 1 735 . 1 1 65 65 GLU C C 13 176.355 0.300 . 1 . . . . 65 GLU C . 11287 1 736 . 1 1 65 65 GLU CA C 13 56.614 0.300 . 1 . . . . 65 GLU CA . 11287 1 737 . 1 1 65 65 GLU CB C 13 30.444 0.300 . 1 . . . . 65 GLU CB . 11287 1 738 . 1 1 65 65 GLU CG C 13 36.226 0.300 . 1 . . . . 65 GLU CG . 11287 1 739 . 1 1 65 65 GLU N N 15 125.150 0.300 . 1 . . . . 65 GLU N . 11287 1 740 . 1 1 66 66 GLU H H 1 8.473 0.030 . 1 . . . . 66 GLU H . 11287 1 741 . 1 1 66 66 GLU HA H 1 4.251 0.030 . 1 . . . . 66 GLU HA . 11287 1 742 . 1 1 66 66 GLU HB2 H 1 1.909 0.030 . 2 . . . . 66 GLU HB2 . 11287 1 743 . 1 1 66 66 GLU HB3 H 1 2.024 0.030 . 2 . . . . 66 GLU HB3 . 11287 1 744 . 1 1 66 66 GLU HG2 H 1 2.248 0.030 . 1 . . . . 66 GLU HG2 . 11287 1 745 . 1 1 66 66 GLU HG3 H 1 2.248 0.030 . 1 . . . . 66 GLU HG3 . 11287 1 746 . 1 1 66 66 GLU C C 13 176.501 0.300 . 1 . . . . 66 GLU C . 11287 1 747 . 1 1 66 66 GLU CA C 13 56.565 0.300 . 1 . . . . 66 GLU CA . 11287 1 748 . 1 1 66 66 GLU CB C 13 30.425 0.300 . 1 . . . . 66 GLU CB . 11287 1 749 . 1 1 66 66 GLU CG C 13 36.195 0.300 . 1 . . . . 66 GLU CG . 11287 1 750 . 1 1 66 66 GLU N N 15 122.681 0.300 . 1 . . . . 66 GLU N . 11287 1 751 . 1 1 67 67 GLU H H 1 8.527 0.030 . 1 . . . . 67 GLU H . 11287 1 752 . 1 1 67 67 GLU HA H 1 4.275 0.030 . 1 . . . . 67 GLU HA . 11287 1 753 . 1 1 67 67 GLU HB2 H 1 2.049 0.030 . 2 . . . . 67 GLU HB2 . 11287 1 754 . 1 1 67 67 GLU HB3 H 1 1.938 0.030 . 2 . . . . 67 GLU HB3 . 11287 1 755 . 1 1 67 67 GLU HG2 H 1 2.248 0.030 . 1 . . . . 67 GLU HG2 . 11287 1 756 . 1 1 67 67 GLU HG3 H 1 2.248 0.030 . 1 . . . . 67 GLU HG3 . 11287 1 757 . 1 1 67 67 GLU C C 13 176.525 0.300 . 1 . . . . 67 GLU C . 11287 1 758 . 1 1 67 67 GLU CA C 13 56.565 0.300 . 1 . . . . 67 GLU CA . 11287 1 759 . 1 1 67 67 GLU CB C 13 30.343 0.300 . 1 . . . . 67 GLU CB . 11287 1 760 . 1 1 67 67 GLU CG C 13 36.360 0.300 . 1 . . . . 67 GLU CG . 11287 1 761 . 1 1 67 67 GLU N N 15 122.638 0.300 . 1 . . . . 67 GLU N . 11287 1 762 . 1 1 68 68 SER H H 1 8.425 0.030 . 1 . . . . 68 SER H . 11287 1 763 . 1 1 68 68 SER HA H 1 4.467 0.030 . 1 . . . . 68 SER HA . 11287 1 764 . 1 1 68 68 SER HB2 H 1 3.858 0.030 . 1 . . . . 68 SER HB2 . 11287 1 765 . 1 1 68 68 SER HB3 H 1 3.858 0.030 . 1 . . . . 68 SER HB3 . 11287 1 766 . 1 1 68 68 SER C C 13 174.655 0.300 . 1 . . . . 68 SER C . 11287 1 767 . 1 1 68 68 SER CA C 13 58.376 0.300 . 1 . . . . 68 SER CA . 11287 1 768 . 1 1 68 68 SER CB C 13 63.975 0.300 . 1 . . . . 68 SER CB . 11287 1 769 . 1 1 68 68 SER N N 15 117.237 0.300 . 1 . . . . 68 SER N . 11287 1 770 . 1 1 69 69 GLY H H 1 8.272 0.030 . 1 . . . . 69 GLY H . 11287 1 771 . 1 1 69 69 GLY HA2 H 1 4.045 0.030 . 2 . . . . 69 GLY HA2 . 11287 1 772 . 1 1 69 69 GLY HA3 H 1 4.155 0.030 . 2 . . . . 69 GLY HA3 . 11287 1 773 . 1 1 69 69 GLY C C 13 171.788 0.300 . 1 . . . . 69 GLY C . 11287 1 774 . 1 1 69 69 GLY CA C 13 44.677 0.300 . 1 . . . . 69 GLY CA . 11287 1 775 . 1 1 69 69 GLY N N 15 126.639 0.300 . 1 . . . . 69 GLY N . 11287 1 776 . 1 1 70 70 PRO HA H 1 4.457 0.030 . 1 . . . . 70 PRO HA . 11287 1 777 . 1 1 70 70 PRO HB2 H 1 1.947 0.030 . 2 . . . . 70 PRO HB2 . 11287 1 778 . 1 1 70 70 PRO HB3 H 1 2.268 0.030 . 2 . . . . 70 PRO HB3 . 11287 1 779 . 1 1 70 70 PRO HD2 H 1 3.606 0.030 . 1 . . . . 70 PRO HD2 . 11287 1 780 . 1 1 70 70 PRO HD3 H 1 3.606 0.030 . 1 . . . . 70 PRO HD3 . 11287 1 781 . 1 1 70 70 PRO HG2 H 1 1.968 0.030 . 1 . . . . 70 PRO HG2 . 11287 1 782 . 1 1 70 70 PRO HG3 H 1 1.968 0.030 . 1 . . . . 70 PRO HG3 . 11287 1 783 . 1 1 70 70 PRO C C 13 177.424 0.300 . 1 . . . . 70 PRO C . 11287 1 784 . 1 1 70 70 PRO CA C 13 63.212 0.300 . 1 . . . . 70 PRO CA . 11287 1 785 . 1 1 70 70 PRO CB C 13 32.239 0.300 . 1 . . . . 70 PRO CB . 11287 1 786 . 1 1 70 70 PRO CD C 13 49.797 0.300 . 1 . . . . 70 PRO CD . 11287 1 787 . 1 1 70 70 PRO CG C 13 27.210 0.300 . 1 . . . . 70 PRO CG . 11287 1 788 . 1 1 71 71 SER H H 1 8.543 0.030 . 1 . . . . 71 SER H . 11287 1 789 . 1 1 71 71 SER HA H 1 4.485 0.030 . 1 . . . . 71 SER HA . 11287 1 790 . 1 1 71 71 SER HB2 H 1 3.886 0.030 . 1 . . . . 71 SER HB2 . 11287 1 791 . 1 1 71 71 SER HB3 H 1 3.886 0.030 . 1 . . . . 71 SER HB3 . 11287 1 792 . 1 1 71 71 SER C C 13 174.776 0.300 . 1 . . . . 71 SER C . 11287 1 793 . 1 1 71 71 SER CA C 13 58.339 0.300 . 1 . . . . 71 SER CA . 11287 1 794 . 1 1 71 71 SER CB C 13 63.645 0.300 . 1 . . . . 71 SER CB . 11287 1 795 . 1 1 71 71 SER N N 15 116.514 0.300 . 1 . . . . 71 SER N . 11287 1 796 . 1 1 72 72 SER H H 1 8.353 0.030 . 1 . . . . 72 SER H . 11287 1 797 . 1 1 72 72 SER HA H 1 4.475 0.030 . 1 . . . . 72 SER HA . 11287 1 798 . 1 1 72 72 SER HB2 H 1 3.874 0.030 . 1 . . . . 72 SER HB2 . 11287 1 799 . 1 1 72 72 SER HB3 H 1 3.874 0.030 . 1 . . . . 72 SER HB3 . 11287 1 800 . 1 1 72 72 SER C C 13 173.974 0.300 . 1 . . . . 72 SER C . 11287 1 801 . 1 1 72 72 SER CA C 13 58.384 0.300 . 1 . . . . 72 SER CA . 11287 1 802 . 1 1 72 72 SER CB C 13 64.057 0.300 . 1 . . . . 72 SER CB . 11287 1 803 . 1 1 72 72 SER N N 15 117.973 0.300 . 1 . . . . 72 SER N . 11287 1 804 . 1 1 73 73 GLY H H 1 8.052 0.030 . 1 . . . . 73 GLY H . 11287 1 805 . 1 1 73 73 GLY HA2 H 1 3.737 0.030 . 2 . . . . 73 GLY HA2 . 11287 1 806 . 1 1 73 73 GLY HA3 H 1 3.763 0.030 . 2 . . . . 73 GLY HA3 . 11287 1 807 . 1 1 73 73 GLY C C 13 179.002 0.300 . 1 . . . . 73 GLY C . 11287 1 808 . 1 1 73 73 GLY CA C 13 46.204 0.300 . 1 . . . . 73 GLY CA . 11287 1 809 . 1 1 73 73 GLY N N 15 116.848 0.300 . 1 . . . . 73 GLY N . 11287 1 stop_ save_