data_11162 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11162 _Entry.Title ; Solution structure of the Zinc finger, C3HC4 type (RING finger) domain of RING finger protein 126 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-04-15 _Entry.Accession_date 2010-04-15 _Entry.Last_release_date 2011-05-05 _Entry.Original_release_date 2011-05-05 _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 H. Abe . . . 11162 2 K. Miyamoto . . . 11162 3 N. Tochio . . . 11162 4 T. Kigawa . . . 11162 5 S. Yokoyama . . . 11162 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)' . 11162 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11162 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 307 11162 '15N chemical shifts' 74 11162 '1H chemical shifts' 480 11162 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 . . 2011-05-05 2010-04-15 original author . 11162 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2ECT 'BMRB Entry Tracking System' 11162 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11162 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the Zinc finger, C3HC4 type (RING finger) domain of RING finger protein 126 ; _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 H. Abe . . . 11162 1 2 K. Miyamoto . . . 11162 1 3 N. Tochio . . . 11162 1 4 T. Kigawa . . . 11162 1 5 S. Yokoyama . . . 11162 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11162 _Assembly.ID 1 _Assembly.Name 'RING finger protein 126' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Zinc finger, C3HC4 type (RING finger)' 1 $entity_1 A . yes native no no . . . 11162 1 2 'ZINC ION no.1' 2 $ZN B . no native no no . . . 11162 1 3 'ZINC ION no.2' 2 $ZN C . no native no no . . . 11162 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 'Zinc finger, C3HC4 type (RING finger)' 1 CYS 18 18 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 18 CYS SG . . . . ZN 11162 1 2 coordination single . 1 'Zinc finger, C3HC4 type (RING finger)' 1 CYS 21 21 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 21 CYS SG . . . . ZN 11162 1 3 coordination single . 1 'Zinc finger, C3HC4 type (RING finger)' 1 CYS 36 36 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 36 CYS SG . . . . ZN 11162 1 4 coordination single . 1 'Zinc finger, C3HC4 type (RING finger)' 1 HIS 38 38 ND1 . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 38 HIS ND1 . . . . ZN 11162 1 5 coordination single . 1 'Zinc finger, C3HC4 type (RING finger)' 1 HIS 41 41 ND1 . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 41 HIS ND1 . . . . ZN 11162 1 6 coordination single . 1 'Zinc finger, C3HC4 type (RING finger)' 1 CYS 44 44 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 44 CYS SG . . . . ZN 11162 1 7 coordination single . 1 'Zinc finger, C3HC4 type (RING finger)' 1 CYS 55 55 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 55 CYS SG . . . . ZN 11162 1 8 coordination single . 1 'Zinc finger, C3HC4 type (RING finger)' 1 CYS 58 58 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 58 CYS SG . . . . ZN 11162 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . 1 1 CYS 55 55 HG . 55 CYS HG 11162 1 . . 1 1 CYS 58 58 HG . 58 CYS HG 11162 1 . . 1 1 HIS 41 41 HD1 . 41 HIS HD1 11162 1 . . 1 1 CYS 44 44 HG . 44 CYS HG 11162 1 . . 1 1 CYS 36 36 HG . 36 CYS HG 11162 1 . . 1 1 HIS 38 38 HD1 . 38 HIS HD1 11162 1 . . 1 1 CYS 18 18 HG . 18 CYS HG 11162 1 . . 1 1 CYS 21 21 HG . 21 CYS HG 11162 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 2ect . . . . . . 11162 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11162 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Zinc finger, C3HC4 type (RING finger)' _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 ; GSSGSSGTEEHVGSGLECPV CKEDYALGESVRQLPCNHLF HDSCIVPWLEQHDSCPVCRK SLTGQNTATNPPGLTGVG ; _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 78 _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 2ECT . "Solution Structure Of The Zinc Finger, C3hc4 Type (Ring Finger) Domain Of Ring Finger Protein 126" . . . . . 100.00 78 100.00 100.00 1.74e-48 . . . . 11162 1 2 no DBJ BAE32824 . "unnamed protein product [Mus musculus]" . . . . . 91.03 313 100.00 100.00 4.89e-43 . . . . 11162 1 3 no GB AAH16543 . "Ring finger protein 126 [Mus musculus]" . . . . . 91.03 313 100.00 100.00 4.89e-43 . . . . 11162 1 4 no GB AAH99810 . "Ring finger protein 126 [Rattus norvegicus]" . . . . . 91.03 328 98.59 98.59 2.69e-42 . . . . 11162 1 5 no GB EDL31663 . "ring finger protein 126, isoform CRA_b, partial [Mus musculus]" . . . . . 91.03 303 100.00 100.00 5.33e-43 . . . . 11162 1 6 no GB EGV99466 . "RING finger protein 126 [Cricetulus griseus]" . . . . . 91.03 135 97.18 98.59 3.92e-44 . . . . 11162 1 7 no GB ERE72376 . "E3 ubiquitin-protein ligase [Cricetulus griseus]" . . . . . 56.41 391 97.73 100.00 1.61e-21 . . . . 11162 1 8 no REF NP_001028874 . "E3 ubiquitin-protein ligase RNF126 [Rattus norvegicus]" . . . . . 91.03 328 98.59 98.59 2.69e-42 . . . . 11162 1 9 no REF NP_653111 . "E3 ubiquitin-protein ligase RNF126 [Mus musculus]" . . . . . 91.03 313 100.00 100.00 4.89e-43 . . . . 11162 1 10 no REF XP_004632706 . "PREDICTED: E3 ubiquitin-protein ligase RNF126 [Octodon degus]" . . . . . 85.90 348 97.01 98.51 2.04e-38 . . . . 11162 1 11 no REF XP_004654916 . "PREDICTED: E3 ubiquitin-protein ligase RNF126 [Jaculus jaculus]" . . . . . 91.03 313 97.18 98.59 9.12e-42 . . . . 11162 1 12 no REF XP_005359164 . "PREDICTED: E3 ubiquitin-protein ligase RNF126 [Microtus ochrogaster]" . . . . . 91.03 313 97.18 98.59 8.37e-42 . . . . 11162 1 13 no SP Q91YL2 . "RecName: Full=E3 ubiquitin-protein ligase RNF126; AltName: Full=RING finger protein 126" . . . . . 91.03 313 100.00 100.00 4.89e-43 . . . . 11162 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Zinc finger, C3HC4 type (RING finger)' . 11162 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 . 11162 1 2 . SER . 11162 1 3 . SER . 11162 1 4 . GLY . 11162 1 5 . SER . 11162 1 6 . SER . 11162 1 7 . GLY . 11162 1 8 . THR . 11162 1 9 . GLU . 11162 1 10 . GLU . 11162 1 11 . HIS . 11162 1 12 . VAL . 11162 1 13 . GLY . 11162 1 14 . SER . 11162 1 15 . GLY . 11162 1 16 . LEU . 11162 1 17 . GLU . 11162 1 18 . CYS . 11162 1 19 . PRO . 11162 1 20 . VAL . 11162 1 21 . CYS . 11162 1 22 . LYS . 11162 1 23 . GLU . 11162 1 24 . ASP . 11162 1 25 . TYR . 11162 1 26 . ALA . 11162 1 27 . LEU . 11162 1 28 . GLY . 11162 1 29 . GLU . 11162 1 30 . SER . 11162 1 31 . VAL . 11162 1 32 . ARG . 11162 1 33 . GLN . 11162 1 34 . LEU . 11162 1 35 . PRO . 11162 1 36 . CYS . 11162 1 37 . ASN . 11162 1 38 . HIS . 11162 1 39 . LEU . 11162 1 40 . PHE . 11162 1 41 . HIS . 11162 1 42 . ASP . 11162 1 43 . SER . 11162 1 44 . CYS . 11162 1 45 . ILE . 11162 1 46 . VAL . 11162 1 47 . PRO . 11162 1 48 . TRP . 11162 1 49 . LEU . 11162 1 50 . GLU . 11162 1 51 . GLN . 11162 1 52 . HIS . 11162 1 53 . ASP . 11162 1 54 . SER . 11162 1 55 . CYS . 11162 1 56 . PRO . 11162 1 57 . VAL . 11162 1 58 . CYS . 11162 1 59 . ARG . 11162 1 60 . LYS . 11162 1 61 . SER . 11162 1 62 . LEU . 11162 1 63 . THR . 11162 1 64 . GLY . 11162 1 65 . GLN . 11162 1 66 . ASN . 11162 1 67 . THR . 11162 1 68 . ALA . 11162 1 69 . THR . 11162 1 70 . ASN . 11162 1 71 . PRO . 11162 1 72 . PRO . 11162 1 73 . GLY . 11162 1 74 . LEU . 11162 1 75 . THR . 11162 1 76 . GLY . 11162 1 77 . VAL . 11162 1 78 . GLY . 11162 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 11162 1 . SER 2 2 11162 1 . SER 3 3 11162 1 . GLY 4 4 11162 1 . SER 5 5 11162 1 . SER 6 6 11162 1 . GLY 7 7 11162 1 . THR 8 8 11162 1 . GLU 9 9 11162 1 . GLU 10 10 11162 1 . HIS 11 11 11162 1 . VAL 12 12 11162 1 . GLY 13 13 11162 1 . SER 14 14 11162 1 . GLY 15 15 11162 1 . LEU 16 16 11162 1 . GLU 17 17 11162 1 . CYS 18 18 11162 1 . PRO 19 19 11162 1 . VAL 20 20 11162 1 . CYS 21 21 11162 1 . LYS 22 22 11162 1 . GLU 23 23 11162 1 . ASP 24 24 11162 1 . TYR 25 25 11162 1 . ALA 26 26 11162 1 . LEU 27 27 11162 1 . GLY 28 28 11162 1 . GLU 29 29 11162 1 . SER 30 30 11162 1 . VAL 31 31 11162 1 . ARG 32 32 11162 1 . GLN 33 33 11162 1 . LEU 34 34 11162 1 . PRO 35 35 11162 1 . CYS 36 36 11162 1 . ASN 37 37 11162 1 . HIS 38 38 11162 1 . LEU 39 39 11162 1 . PHE 40 40 11162 1 . HIS 41 41 11162 1 . ASP 42 42 11162 1 . SER 43 43 11162 1 . CYS 44 44 11162 1 . ILE 45 45 11162 1 . VAL 46 46 11162 1 . PRO 47 47 11162 1 . TRP 48 48 11162 1 . LEU 49 49 11162 1 . GLU 50 50 11162 1 . GLN 51 51 11162 1 . HIS 52 52 11162 1 . ASP 53 53 11162 1 . SER 54 54 11162 1 . CYS 55 55 11162 1 . PRO 56 56 11162 1 . VAL 57 57 11162 1 . CYS 58 58 11162 1 . ARG 59 59 11162 1 . LYS 60 60 11162 1 . SER 61 61 11162 1 . LEU 62 62 11162 1 . THR 63 63 11162 1 . GLY 64 64 11162 1 . GLN 65 65 11162 1 . ASN 66 66 11162 1 . THR 67 67 11162 1 . ALA 68 68 11162 1 . THR 69 69 11162 1 . ASN 70 70 11162 1 . PRO 71 71 11162 1 . PRO 72 72 11162 1 . GLY 73 73 11162 1 . LEU 74 74 11162 1 . THR 75 75 11162 1 . GLY 76 76 11162 1 . VAL 77 77 11162 1 . GLY 78 78 11162 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11162 _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 . 11162 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 11162 _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 . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 11162 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 11162 _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 . . . . . . . . . . . . . . . . P060411-08 . . . . . . 11162 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 11162 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code 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 11162 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11162 ZN [Zn++] SMILES CACTVS 3.341 11162 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11162 ZN [Zn+2] SMILES ACDLabs 10.04 11162 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11162 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11162 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 11162 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11162 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 . . . . . . . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 . . 11162 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11162 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.06mM {Protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% NaN3 {;0.05mM} ZnCl2+1mM {IDA;} 90% H2O, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Zinc finger, C3HC4 type (RING finger)' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.06 . . mM . . . . 11162 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11162 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11162 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11162 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11162 1 6 ZnCl2 'natural abundance' . . . . . salt 0.05 . . mM . . . . 11162 1 7 IDA 'natural abundance' . . . . . salt 1 . . mM . . . . 11162 1 8 H2O . . . . . . solvent 90 . . % . . . . 11162 1 9 D2O . . . . . . solvent 10 . . % . . . . 11162 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 11162 _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 11162 1 pH 7.0 0.05 pH 11162 1 pressure 1 0.001 atm 11162 1 temperature 296 0.1 K 11162 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11162 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11162 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11162 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11162 _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.' . . 11162 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11162 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11162 _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.' . . 11162 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11162 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11162 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9747 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11162 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11162 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11162 _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.' . . 11162 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11162 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 11162 _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 11162 _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 . . . 11162 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 11162 _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 . . . . . . . . . . . . . . . . 11162 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11162 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 11162 _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 . . . . . . . . . 11162 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11162 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11162 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 11162 _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 11162 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11162 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 . . 11162 1 2 $NMRPipe . . 11162 1 3 $NMRView . . 11162 1 4 $Kujira . . 11162 1 5 $CYANA . . 11162 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 4 4 GLY HA2 H 1 4.027 0.030 . 1 . . . . 4 GLY HA2 . 11162 1 2 . 1 1 4 4 GLY HA3 H 1 4.027 0.030 . 1 . . . . 4 GLY HA3 . 11162 1 3 . 1 1 4 4 GLY CA C 13 45.347 0.300 . 1 . . . . 4 GLY CA . 11162 1 4 . 1 1 5 5 SER H H 1 8.177 0.030 . 1 . . . . 5 SER H . 11162 1 5 . 1 1 5 5 SER HA H 1 4.527 0.030 . 1 . . . . 5 SER HA . 11162 1 6 . 1 1 5 5 SER HB2 H 1 3.895 0.030 . 1 . . . . 5 SER HB2 . 11162 1 7 . 1 1 5 5 SER HB3 H 1 3.895 0.030 . 1 . . . . 5 SER HB3 . 11162 1 8 . 1 1 5 5 SER CA C 13 58.199 0.300 . 1 . . . . 5 SER CA . 11162 1 9 . 1 1 5 5 SER CB C 13 63.929 0.300 . 1 . . . . 5 SER CB . 11162 1 10 . 1 1 5 5 SER N N 15 114.641 0.300 . 1 . . . . 5 SER N . 11162 1 11 . 1 1 6 6 SER H H 1 8.518 0.030 . 1 . . . . 6 SER H . 11162 1 12 . 1 1 6 6 SER HA H 1 4.527 0.030 . 1 . . . . 6 SER HA . 11162 1 13 . 1 1 6 6 SER HB2 H 1 3.900 0.030 . 2 . . . . 6 SER HB2 . 11162 1 14 . 1 1 6 6 SER HB3 H 1 4.031 0.030 . 2 . . . . 6 SER HB3 . 11162 1 15 . 1 1 6 6 SER C C 13 175.080 0.300 . 1 . . . . 6 SER C . 11162 1 16 . 1 1 6 6 SER CA C 13 58.446 0.300 . 1 . . . . 6 SER CA . 11162 1 17 . 1 1 6 6 SER CB C 13 63.774 0.300 . 1 . . . . 6 SER CB . 11162 1 18 . 1 1 6 6 SER N N 15 118.001 0.300 . 1 . . . . 6 SER N . 11162 1 19 . 1 1 7 7 GLY H H 1 8.495 0.030 . 1 . . . . 7 GLY H . 11162 1 20 . 1 1 7 7 GLY HA2 H 1 4.041 0.030 . 1 . . . . 7 GLY HA2 . 11162 1 21 . 1 1 7 7 GLY HA3 H 1 4.041 0.030 . 1 . . . . 7 GLY HA3 . 11162 1 22 . 1 1 7 7 GLY C C 13 174.450 0.300 . 1 . . . . 7 GLY C . 11162 1 23 . 1 1 7 7 GLY CA C 13 45.743 0.300 . 1 . . . . 7 GLY CA . 11162 1 24 . 1 1 7 7 GLY N N 15 111.003 0.300 . 1 . . . . 7 GLY N . 11162 1 25 . 1 1 8 8 THR H H 1 8.079 0.030 . 1 . . . . 8 THR H . 11162 1 26 . 1 1 8 8 THR HA H 1 4.365 0.030 . 1 . . . . 8 THR HA . 11162 1 27 . 1 1 8 8 THR HB H 1 4.254 0.030 . 1 . . . . 8 THR HB . 11162 1 28 . 1 1 8 8 THR HG21 H 1 1.174 0.030 . 1 . . . . 8 THR HG2 . 11162 1 29 . 1 1 8 8 THR HG22 H 1 1.174 0.030 . 1 . . . . 8 THR HG2 . 11162 1 30 . 1 1 8 8 THR HG23 H 1 1.174 0.030 . 1 . . . . 8 THR HG2 . 11162 1 31 . 1 1 8 8 THR C C 13 174.694 0.300 . 1 . . . . 8 THR C . 11162 1 32 . 1 1 8 8 THR CA C 13 61.783 0.300 . 1 . . . . 8 THR CA . 11162 1 33 . 1 1 8 8 THR CB C 13 69.828 0.300 . 1 . . . . 8 THR CB . 11162 1 34 . 1 1 8 8 THR CG2 C 13 21.620 0.300 . 1 . . . . 8 THR CG2 . 11162 1 35 . 1 1 8 8 THR N N 15 113.205 0.300 . 1 . . . . 8 THR N . 11162 1 36 . 1 1 9 9 GLU H H 1 8.530 0.030 . 1 . . . . 9 GLU H . 11162 1 37 . 1 1 9 9 GLU HA H 1 4.282 0.030 . 1 . . . . 9 GLU HA . 11162 1 38 . 1 1 9 9 GLU HB2 H 1 2.018 0.030 . 2 . . . . 9 GLU HB2 . 11162 1 39 . 1 1 9 9 GLU HB3 H 1 1.903 0.030 . 2 . . . . 9 GLU HB3 . 11162 1 40 . 1 1 9 9 GLU HG2 H 1 2.241 0.030 . 1 . . . . 9 GLU HG2 . 11162 1 41 . 1 1 9 9 GLU HG3 H 1 2.241 0.030 . 1 . . . . 9 GLU HG3 . 11162 1 42 . 1 1 9 9 GLU C C 13 176.380 0.300 . 1 . . . . 9 GLU C . 11162 1 43 . 1 1 9 9 GLU CA C 13 56.662 0.300 . 1 . . . . 9 GLU CA . 11162 1 44 . 1 1 9 9 GLU CB C 13 30.114 0.300 . 1 . . . . 9 GLU CB . 11162 1 45 . 1 1 9 9 GLU CG C 13 36.286 0.300 . 1 . . . . 9 GLU CG . 11162 1 46 . 1 1 9 9 GLU N N 15 123.003 0.300 . 1 . . . . 9 GLU N . 11162 1 47 . 1 1 10 10 GLU H H 1 8.379 0.030 . 1 . . . . 10 GLU H . 11162 1 48 . 1 1 10 10 GLU HA H 1 4.203 0.030 . 1 . . . . 10 GLU HA . 11162 1 49 . 1 1 10 10 GLU HB2 H 1 1.854 0.030 . 2 . . . . 10 GLU HB2 . 11162 1 50 . 1 1 10 10 GLU HB3 H 1 1.931 0.030 . 2 . . . . 10 GLU HB3 . 11162 1 51 . 1 1 10 10 GLU HG2 H 1 2.138 0.030 . 2 . . . . 10 GLU HG2 . 11162 1 52 . 1 1 10 10 GLU HG3 H 1 2.209 0.030 . 2 . . . . 10 GLU HG3 . 11162 1 53 . 1 1 10 10 GLU C C 13 176.181 0.300 . 1 . . . . 10 GLU C . 11162 1 54 . 1 1 10 10 GLU CA C 13 56.635 0.300 . 1 . . . . 10 GLU CA . 11162 1 55 . 1 1 10 10 GLU CB C 13 30.419 0.300 . 1 . . . . 10 GLU CB . 11162 1 56 . 1 1 10 10 GLU CG C 13 36.185 0.300 . 1 . . . . 10 GLU CG . 11162 1 57 . 1 1 10 10 GLU N N 15 121.810 0.300 . 1 . . . . 10 GLU N . 11162 1 58 . 1 1 11 11 HIS H H 1 8.418 0.030 . 1 . . . . 11 HIS H . 11162 1 59 . 1 1 11 11 HIS HA H 1 4.656 0.030 . 1 . . . . 11 HIS HA . 11162 1 60 . 1 1 11 11 HIS HB2 H 1 3.102 0.030 . 2 . . . . 11 HIS HB2 . 11162 1 61 . 1 1 11 11 HIS HB3 H 1 3.063 0.030 . 2 . . . . 11 HIS HB3 . 11162 1 62 . 1 1 11 11 HIS HD2 H 1 7.022 0.030 . 1 . . . . 11 HIS HD2 . 11162 1 63 . 1 1 11 11 HIS HE1 H 1 8.072 0.030 . 1 . . . . 11 HIS HE1 . 11162 1 64 . 1 1 11 11 HIS C C 13 175.014 0.300 . 1 . . . . 11 HIS C . 11162 1 65 . 1 1 11 11 HIS CA C 13 55.808 0.300 . 1 . . . . 11 HIS CA . 11162 1 66 . 1 1 11 11 HIS CB C 13 30.211 0.300 . 1 . . . . 11 HIS CB . 11162 1 67 . 1 1 11 11 HIS CD2 C 13 119.863 0.300 . 1 . . . . 11 HIS CD2 . 11162 1 68 . 1 1 11 11 HIS CE1 C 13 137.705 0.300 . 1 . . . . 11 HIS CE1 . 11162 1 69 . 1 1 11 11 HIS N N 15 120.313 0.300 . 1 . . . . 11 HIS N . 11162 1 70 . 1 1 12 12 VAL H H 1 8.127 0.030 . 1 . . . . 12 VAL H . 11162 1 71 . 1 1 12 12 VAL HA H 1 4.048 0.030 . 1 . . . . 12 VAL HA . 11162 1 72 . 1 1 12 12 VAL HB H 1 2.008 0.030 . 1 . . . . 12 VAL HB . 11162 1 73 . 1 1 12 12 VAL HG11 H 1 0.881 0.030 . 1 . . . . 12 VAL HG1 . 11162 1 74 . 1 1 12 12 VAL HG12 H 1 0.881 0.030 . 1 . . . . 12 VAL HG1 . 11162 1 75 . 1 1 12 12 VAL HG13 H 1 0.881 0.030 . 1 . . . . 12 VAL HG1 . 11162 1 76 . 1 1 12 12 VAL HG21 H 1 0.863 0.030 . 1 . . . . 12 VAL HG2 . 11162 1 77 . 1 1 12 12 VAL HG22 H 1 0.863 0.030 . 1 . . . . 12 VAL HG2 . 11162 1 78 . 1 1 12 12 VAL HG23 H 1 0.863 0.030 . 1 . . . . 12 VAL HG2 . 11162 1 79 . 1 1 12 12 VAL C C 13 176.533 0.300 . 1 . . . . 12 VAL C . 11162 1 80 . 1 1 12 12 VAL CA C 13 62.608 0.300 . 1 . . . . 12 VAL CA . 11162 1 81 . 1 1 12 12 VAL CB C 13 32.560 0.300 . 1 . . . . 12 VAL CB . 11162 1 82 . 1 1 12 12 VAL CG1 C 13 21.145 0.300 . 2 . . . . 12 VAL CG1 . 11162 1 83 . 1 1 12 12 VAL CG2 C 13 20.647 0.300 . 2 . . . . 12 VAL CG2 . 11162 1 84 . 1 1 12 12 VAL N N 15 122.578 0.300 . 1 . . . . 12 VAL N . 11162 1 85 . 1 1 13 13 GLY H H 1 8.541 0.030 . 1 . . . . 13 GLY H . 11162 1 86 . 1 1 13 13 GLY HA2 H 1 3.954 0.030 . 1 . . . . 13 GLY HA2 . 11162 1 87 . 1 1 13 13 GLY HA3 H 1 3.954 0.030 . 1 . . . . 13 GLY HA3 . 11162 1 88 . 1 1 13 13 GLY C C 13 174.195 0.300 . 1 . . . . 13 GLY C . 11162 1 89 . 1 1 13 13 GLY CA C 13 45.181 0.300 . 1 . . . . 13 GLY CA . 11162 1 90 . 1 1 13 13 GLY N N 15 112.770 0.300 . 1 . . . . 13 GLY N . 11162 1 91 . 1 1 14 14 SER H H 1 8.413 0.030 . 1 . . . . 14 SER H . 11162 1 92 . 1 1 14 14 SER HA H 1 4.414 0.030 . 1 . . . . 14 SER HA . 11162 1 93 . 1 1 14 14 SER HB2 H 1 3.881 0.030 . 2 . . . . 14 SER HB2 . 11162 1 94 . 1 1 14 14 SER HB3 H 1 3.913 0.030 . 2 . . . . 14 SER HB3 . 11162 1 95 . 1 1 14 14 SER C C 13 175.467 0.300 . 1 . . . . 14 SER C . 11162 1 96 . 1 1 14 14 SER CA C 13 58.814 0.300 . 1 . . . . 14 SER CA . 11162 1 97 . 1 1 14 14 SER CB C 13 64.162 0.300 . 1 . . . . 14 SER CB . 11162 1 98 . 1 1 14 14 SER N N 15 116.047 0.300 . 1 . . . . 14 SER N . 11162 1 99 . 1 1 15 15 GLY H H 1 8.702 0.030 . 1 . . . . 15 GLY H . 11162 1 100 . 1 1 15 15 GLY HA2 H 1 4.044 0.030 . 2 . . . . 15 GLY HA2 . 11162 1 101 . 1 1 15 15 GLY HA3 H 1 3.912 0.030 . 2 . . . . 15 GLY HA3 . 11162 1 102 . 1 1 15 15 GLY C C 13 173.995 0.300 . 1 . . . . 15 GLY C . 11162 1 103 . 1 1 15 15 GLY CA C 13 45.560 0.300 . 1 . . . . 15 GLY CA . 11162 1 104 . 1 1 15 15 GLY N N 15 111.655 0.300 . 1 . . . . 15 GLY N . 11162 1 105 . 1 1 16 16 LEU H H 1 8.095 0.030 . 1 . . . . 16 LEU H . 11162 1 106 . 1 1 16 16 LEU HA H 1 4.443 0.030 . 1 . . . . 16 LEU HA . 11162 1 107 . 1 1 16 16 LEU HB2 H 1 1.549 0.030 . 2 . . . . 16 LEU HB2 . 11162 1 108 . 1 1 16 16 LEU HB3 H 1 1.610 0.030 . 2 . . . . 16 LEU HB3 . 11162 1 109 . 1 1 16 16 LEU HD11 H 1 0.832 0.030 . 1 . . . . 16 LEU HD1 . 11162 1 110 . 1 1 16 16 LEU HD12 H 1 0.832 0.030 . 1 . . . . 16 LEU HD1 . 11162 1 111 . 1 1 16 16 LEU HD13 H 1 0.832 0.030 . 1 . . . . 16 LEU HD1 . 11162 1 112 . 1 1 16 16 LEU HD21 H 1 0.876 0.030 . 1 . . . . 16 LEU HD2 . 11162 1 113 . 1 1 16 16 LEU HD22 H 1 0.876 0.030 . 1 . . . . 16 LEU HD2 . 11162 1 114 . 1 1 16 16 LEU HD23 H 1 0.876 0.030 . 1 . . . . 16 LEU HD2 . 11162 1 115 . 1 1 16 16 LEU HG H 1 1.506 0.030 . 1 . . . . 16 LEU HG . 11162 1 116 . 1 1 16 16 LEU C C 13 175.355 0.300 . 1 . . . . 16 LEU C . 11162 1 117 . 1 1 16 16 LEU CA C 13 54.579 0.300 . 1 . . . . 16 LEU CA . 11162 1 118 . 1 1 16 16 LEU CB C 13 42.570 0.300 . 1 . . . . 16 LEU CB . 11162 1 119 . 1 1 16 16 LEU CD1 C 13 23.076 0.300 . 2 . . . . 16 LEU CD1 . 11162 1 120 . 1 1 16 16 LEU CD2 C 13 25.256 0.300 . 2 . . . . 16 LEU CD2 . 11162 1 121 . 1 1 16 16 LEU CG C 13 26.881 0.300 . 1 . . . . 16 LEU CG . 11162 1 122 . 1 1 16 16 LEU N N 15 121.306 0.300 . 1 . . . . 16 LEU N . 11162 1 123 . 1 1 17 17 GLU H H 1 7.896 0.030 . 1 . . . . 17 GLU H . 11162 1 124 . 1 1 17 17 GLU HA H 1 4.077 0.030 . 1 . . . . 17 GLU HA . 11162 1 125 . 1 1 17 17 GLU HB2 H 1 1.567 0.030 . 2 . . . . 17 GLU HB2 . 11162 1 126 . 1 1 17 17 GLU HB3 H 1 1.494 0.030 . 2 . . . . 17 GLU HB3 . 11162 1 127 . 1 1 17 17 GLU HG2 H 1 1.856 0.030 . 2 . . . . 17 GLU HG2 . 11162 1 128 . 1 1 17 17 GLU HG3 H 1 1.795 0.030 . 2 . . . . 17 GLU HG3 . 11162 1 129 . 1 1 17 17 GLU C C 13 175.300 0.300 . 1 . . . . 17 GLU C . 11162 1 130 . 1 1 17 17 GLU CA C 13 54.594 0.300 . 1 . . . . 17 GLU CA . 11162 1 131 . 1 1 17 17 GLU CB C 13 31.827 0.300 . 1 . . . . 17 GLU CB . 11162 1 132 . 1 1 17 17 GLU CG C 13 35.622 0.300 . 1 . . . . 17 GLU CG . 11162 1 133 . 1 1 17 17 GLU N N 15 118.595 0.300 . 1 . . . . 17 GLU N . 11162 1 134 . 1 1 18 18 CYS H H 1 7.919 0.030 . 1 . . . . 18 CYS H . 11162 1 135 . 1 1 18 18 CYS HA H 1 4.700 0.030 . 1 . . . . 18 CYS HA . 11162 1 136 . 1 1 18 18 CYS HB2 H 1 3.446 0.030 . 2 . . . . 18 CYS HB2 . 11162 1 137 . 1 1 18 18 CYS HB3 H 1 2.258 0.030 . 2 . . . . 18 CYS HB3 . 11162 1 138 . 1 1 18 18 CYS C C 13 176.166 0.300 . 1 . . . . 18 CYS C . 11162 1 139 . 1 1 18 18 CYS CA C 13 56.404 0.300 . 1 . . . . 18 CYS CA . 11162 1 140 . 1 1 18 18 CYS CB C 13 31.735 0.300 . 1 . . . . 18 CYS CB . 11162 1 141 . 1 1 18 18 CYS N N 15 128.181 0.300 . 1 . . . . 18 CYS N . 11162 1 142 . 1 1 19 19 PRO HA H 1 4.400 0.030 . 1 . . . . 19 PRO HA . 11162 1 143 . 1 1 19 19 PRO HB2 H 1 1.677 0.030 . 2 . . . . 19 PRO HB2 . 11162 1 144 . 1 1 19 19 PRO HB3 H 1 2.338 0.030 . 2 . . . . 19 PRO HB3 . 11162 1 145 . 1 1 19 19 PRO HD2 H 1 3.816 0.030 . 2 . . . . 19 PRO HD2 . 11162 1 146 . 1 1 19 19 PRO HD3 H 1 4.181 0.030 . 2 . . . . 19 PRO HD3 . 11162 1 147 . 1 1 19 19 PRO HG2 H 1 1.829 0.030 . 2 . . . . 19 PRO HG2 . 11162 1 148 . 1 1 19 19 PRO HG3 H 1 1.565 0.030 . 2 . . . . 19 PRO HG3 . 11162 1 149 . 1 1 19 19 PRO C C 13 177.818 0.300 . 1 . . . . 19 PRO C . 11162 1 150 . 1 1 19 19 PRO CA C 13 64.173 0.300 . 1 . . . . 19 PRO CA . 11162 1 151 . 1 1 19 19 PRO CB C 13 33.245 0.300 . 1 . . . . 19 PRO CB . 11162 1 152 . 1 1 19 19 PRO CD C 13 51.788 0.300 . 1 . . . . 19 PRO CD . 11162 1 153 . 1 1 19 19 PRO CG C 13 27.602 0.300 . 1 . . . . 19 PRO CG . 11162 1 154 . 1 1 20 20 VAL H H 1 8.441 0.030 . 1 . . . . 20 VAL H . 11162 1 155 . 1 1 20 20 VAL HA H 1 3.890 0.030 . 1 . . . . 20 VAL HA . 11162 1 156 . 1 1 20 20 VAL HB H 1 2.175 0.030 . 1 . . . . 20 VAL HB . 11162 1 157 . 1 1 20 20 VAL HG11 H 1 1.049 0.030 . 1 . . . . 20 VAL HG1 . 11162 1 158 . 1 1 20 20 VAL HG12 H 1 1.049 0.030 . 1 . . . . 20 VAL HG1 . 11162 1 159 . 1 1 20 20 VAL HG13 H 1 1.049 0.030 . 1 . . . . 20 VAL HG1 . 11162 1 160 . 1 1 20 20 VAL HG21 H 1 0.844 0.030 . 1 . . . . 20 VAL HG2 . 11162 1 161 . 1 1 20 20 VAL HG22 H 1 0.844 0.030 . 1 . . . . 20 VAL HG2 . 11162 1 162 . 1 1 20 20 VAL HG23 H 1 0.844 0.030 . 1 . . . . 20 VAL HG2 . 11162 1 163 . 1 1 20 20 VAL C C 13 176.169 0.300 . 1 . . . . 20 VAL C . 11162 1 164 . 1 1 20 20 VAL CA C 13 65.295 0.300 . 1 . . . . 20 VAL CA . 11162 1 165 . 1 1 20 20 VAL CB C 13 32.631 0.300 . 1 . . . . 20 VAL CB . 11162 1 166 . 1 1 20 20 VAL CG1 C 13 20.443 0.300 . 2 . . . . 20 VAL CG1 . 11162 1 167 . 1 1 20 20 VAL CG2 C 13 21.860 0.300 . 2 . . . . 20 VAL CG2 . 11162 1 168 . 1 1 20 20 VAL N N 15 118.159 0.300 . 1 . . . . 20 VAL N . 11162 1 169 . 1 1 21 21 CYS H H 1 7.574 0.030 . 1 . . . . 21 CYS H . 11162 1 170 . 1 1 21 21 CYS HA H 1 4.804 0.030 . 1 . . . . 21 CYS HA . 11162 1 171 . 1 1 21 21 CYS HB2 H 1 3.237 0.030 . 2 . . . . 21 CYS HB2 . 11162 1 172 . 1 1 21 21 CYS HB3 H 1 3.076 0.030 . 2 . . . . 21 CYS HB3 . 11162 1 173 . 1 1 21 21 CYS C C 13 175.728 0.300 . 1 . . . . 21 CYS C . 11162 1 174 . 1 1 21 21 CYS CA C 13 58.393 0.300 . 1 . . . . 21 CYS CA . 11162 1 175 . 1 1 21 21 CYS CB C 13 31.215 0.300 . 1 . . . . 21 CYS CB . 11162 1 176 . 1 1 21 21 CYS N N 15 116.336 0.300 . 1 . . . . 21 CYS N . 11162 1 177 . 1 1 22 22 LYS H H 1 8.232 0.030 . 1 . . . . 22 LYS H . 11162 1 178 . 1 1 22 22 LYS HA H 1 3.917 0.030 . 1 . . . . 22 LYS HA . 11162 1 179 . 1 1 22 22 LYS HB2 H 1 2.092 0.030 . 2 . . . . 22 LYS HB2 . 11162 1 180 . 1 1 22 22 LYS HB3 H 1 1.954 0.030 . 2 . . . . 22 LYS HB3 . 11162 1 181 . 1 1 22 22 LYS HD2 H 1 1.536 0.030 . 2 . . . . 22 LYS HD2 . 11162 1 182 . 1 1 22 22 LYS HD3 H 1 1.570 0.030 . 2 . . . . 22 LYS HD3 . 11162 1 183 . 1 1 22 22 LYS HE2 H 1 2.929 0.030 . 2 . . . . 22 LYS HE2 . 11162 1 184 . 1 1 22 22 LYS HE3 H 1 2.967 0.030 . 2 . . . . 22 LYS HE3 . 11162 1 185 . 1 1 22 22 LYS HG2 H 1 1.189 0.030 . 2 . . . . 22 LYS HG2 . 11162 1 186 . 1 1 22 22 LYS HG3 H 1 1.278 0.030 . 2 . . . . 22 LYS HG3 . 11162 1 187 . 1 1 22 22 LYS C C 13 174.951 0.300 . 1 . . . . 22 LYS C . 11162 1 188 . 1 1 22 22 LYS CA C 13 57.478 0.300 . 1 . . . . 22 LYS CA . 11162 1 189 . 1 1 22 22 LYS CB C 13 28.433 0.300 . 1 . . . . 22 LYS CB . 11162 1 190 . 1 1 22 22 LYS CD C 13 28.417 0.300 . 1 . . . . 22 LYS CD . 11162 1 191 . 1 1 22 22 LYS CE C 13 42.438 0.300 . 1 . . . . 22 LYS CE . 11162 1 192 . 1 1 22 22 LYS CG C 13 24.884 0.300 . 1 . . . . 22 LYS CG . 11162 1 193 . 1 1 22 22 LYS N N 15 118.072 0.300 . 1 . . . . 22 LYS N . 11162 1 194 . 1 1 23 23 GLU H H 1 8.289 0.030 . 1 . . . . 23 GLU H . 11162 1 195 . 1 1 23 23 GLU HA H 1 4.668 0.030 . 1 . . . . 23 GLU HA . 11162 1 196 . 1 1 23 23 GLU HB2 H 1 2.187 0.030 . 2 . . . . 23 GLU HB2 . 11162 1 197 . 1 1 23 23 GLU HB3 H 1 2.142 0.030 . 2 . . . . 23 GLU HB3 . 11162 1 198 . 1 1 23 23 GLU HG2 H 1 2.347 0.030 . 2 . . . . 23 GLU HG2 . 11162 1 199 . 1 1 23 23 GLU HG3 H 1 2.217 0.030 . 2 . . . . 23 GLU HG3 . 11162 1 200 . 1 1 23 23 GLU C C 13 176.024 0.300 . 1 . . . . 23 GLU C . 11162 1 201 . 1 1 23 23 GLU CA C 13 54.749 0.300 . 1 . . . . 23 GLU CA . 11162 1 202 . 1 1 23 23 GLU CB C 13 31.679 0.300 . 1 . . . . 23 GLU CB . 11162 1 203 . 1 1 23 23 GLU CG C 13 35.675 0.300 . 1 . . . . 23 GLU CG . 11162 1 204 . 1 1 23 23 GLU N N 15 118.818 0.300 . 1 . . . . 23 GLU N . 11162 1 205 . 1 1 24 24 ASP H H 1 8.440 0.030 . 1 . . . . 24 ASP H . 11162 1 206 . 1 1 24 24 ASP HA H 1 4.570 0.030 . 1 . . . . 24 ASP HA . 11162 1 207 . 1 1 24 24 ASP HB2 H 1 2.584 0.030 . 1 . . . . 24 ASP HB2 . 11162 1 208 . 1 1 24 24 ASP HB3 H 1 2.584 0.030 . 1 . . . . 24 ASP HB3 . 11162 1 209 . 1 1 24 24 ASP C C 13 177.074 0.300 . 1 . . . . 24 ASP C . 11162 1 210 . 1 1 24 24 ASP CA C 13 53.838 0.300 . 1 . . . . 24 ASP CA . 11162 1 211 . 1 1 24 24 ASP CB C 13 41.234 0.300 . 1 . . . . 24 ASP CB . 11162 1 212 . 1 1 24 24 ASP N N 15 120.510 0.300 . 1 . . . . 24 ASP N . 11162 1 213 . 1 1 25 25 TYR H H 1 8.005 0.030 . 1 . . . . 25 TYR H . 11162 1 214 . 1 1 25 25 TYR HA H 1 4.662 0.030 . 1 . . . . 25 TYR HA . 11162 1 215 . 1 1 25 25 TYR HB2 H 1 2.845 0.030 . 2 . . . . 25 TYR HB2 . 11162 1 216 . 1 1 25 25 TYR HB3 H 1 2.682 0.030 . 2 . . . . 25 TYR HB3 . 11162 1 217 . 1 1 25 25 TYR HD1 H 1 6.663 0.030 . 1 . . . . 25 TYR HD1 . 11162 1 218 . 1 1 25 25 TYR HD2 H 1 6.663 0.030 . 1 . . . . 25 TYR HD2 . 11162 1 219 . 1 1 25 25 TYR HE1 H 1 6.167 0.030 . 1 . . . . 25 TYR HE1 . 11162 1 220 . 1 1 25 25 TYR HE2 H 1 6.167 0.030 . 1 . . . . 25 TYR HE2 . 11162 1 221 . 1 1 25 25 TYR C C 13 175.841 0.300 . 1 . . . . 25 TYR C . 11162 1 222 . 1 1 25 25 TYR CA C 13 58.078 0.300 . 1 . . . . 25 TYR CA . 11162 1 223 . 1 1 25 25 TYR CB C 13 38.592 0.300 . 1 . . . . 25 TYR CB . 11162 1 224 . 1 1 25 25 TYR CD1 C 13 132.486 0.300 . 1 . . . . 25 TYR CD1 . 11162 1 225 . 1 1 25 25 TYR CD2 C 13 132.486 0.300 . 1 . . . . 25 TYR CD2 . 11162 1 226 . 1 1 25 25 TYR CE1 C 13 117.076 0.300 . 1 . . . . 25 TYR CE1 . 11162 1 227 . 1 1 25 25 TYR CE2 C 13 117.076 0.300 . 1 . . . . 25 TYR CE2 . 11162 1 228 . 1 1 25 25 TYR N N 15 119.577 0.300 . 1 . . . . 25 TYR N . 11162 1 229 . 1 1 26 26 ALA H H 1 8.950 0.030 . 1 . . . . 26 ALA H . 11162 1 230 . 1 1 26 26 ALA HA H 1 4.569 0.030 . 1 . . . . 26 ALA HA . 11162 1 231 . 1 1 26 26 ALA HB1 H 1 1.393 0.030 . 1 . . . . 26 ALA HB . 11162 1 232 . 1 1 26 26 ALA HB2 H 1 1.393 0.030 . 1 . . . . 26 ALA HB . 11162 1 233 . 1 1 26 26 ALA HB3 H 1 1.393 0.030 . 1 . . . . 26 ALA HB . 11162 1 234 . 1 1 26 26 ALA C C 13 177.735 0.300 . 1 . . . . 26 ALA C . 11162 1 235 . 1 1 26 26 ALA CA C 13 50.763 0.300 . 1 . . . . 26 ALA CA . 11162 1 236 . 1 1 26 26 ALA CB C 13 20.689 0.300 . 1 . . . . 26 ALA CB . 11162 1 237 . 1 1 26 26 ALA N N 15 126.188 0.300 . 1 . . . . 26 ALA N . 11162 1 238 . 1 1 27 27 LEU H H 1 8.370 0.030 . 1 . . . . 27 LEU H . 11162 1 239 . 1 1 27 27 LEU HA H 1 4.138 0.030 . 1 . . . . 27 LEU HA . 11162 1 240 . 1 1 27 27 LEU HB2 H 1 1.591 0.030 . 2 . . . . 27 LEU HB2 . 11162 1 241 . 1 1 27 27 LEU HB3 H 1 1.650 0.030 . 2 . . . . 27 LEU HB3 . 11162 1 242 . 1 1 27 27 LEU HD11 H 1 0.895 0.030 . 1 . . . . 27 LEU HD1 . 11162 1 243 . 1 1 27 27 LEU HD12 H 1 0.895 0.030 . 1 . . . . 27 LEU HD1 . 11162 1 244 . 1 1 27 27 LEU HD13 H 1 0.895 0.030 . 1 . . . . 27 LEU HD1 . 11162 1 245 . 1 1 27 27 LEU HD21 H 1 0.944 0.030 . 1 . . . . 27 LEU HD2 . 11162 1 246 . 1 1 27 27 LEU HD22 H 1 0.944 0.030 . 1 . . . . 27 LEU HD2 . 11162 1 247 . 1 1 27 27 LEU HD23 H 1 0.944 0.030 . 1 . . . . 27 LEU HD2 . 11162 1 248 . 1 1 27 27 LEU HG H 1 1.646 0.030 . 1 . . . . 27 LEU HG . 11162 1 249 . 1 1 27 27 LEU C C 13 178.431 0.300 . 1 . . . . 27 LEU C . 11162 1 250 . 1 1 27 27 LEU CA C 13 56.567 0.300 . 1 . . . . 27 LEU CA . 11162 1 251 . 1 1 27 27 LEU CB C 13 41.541 0.300 . 1 . . . . 27 LEU CB . 11162 1 252 . 1 1 27 27 LEU CD1 C 13 24.008 0.300 . 2 . . . . 27 LEU CD1 . 11162 1 253 . 1 1 27 27 LEU CD2 C 13 24.672 0.300 . 2 . . . . 27 LEU CD2 . 11162 1 254 . 1 1 27 27 LEU CG C 13 26.983 0.300 . 1 . . . . 27 LEU CG . 11162 1 255 . 1 1 27 27 LEU N N 15 121.862 0.300 . 1 . . . . 27 LEU N . 11162 1 256 . 1 1 28 28 GLY H H 1 8.804 0.030 . 1 . . . . 28 GLY H . 11162 1 257 . 1 1 28 28 GLY HA2 H 1 4.202 0.030 . 2 . . . . 28 GLY HA2 . 11162 1 258 . 1 1 28 28 GLY HA3 H 1 3.777 0.030 . 2 . . . . 28 GLY HA3 . 11162 1 259 . 1 1 28 28 GLY C C 13 174.748 0.300 . 1 . . . . 28 GLY C . 11162 1 260 . 1 1 28 28 GLY CA C 13 45.255 0.300 . 1 . . . . 28 GLY CA . 11162 1 261 . 1 1 28 28 GLY N N 15 111.954 0.300 . 1 . . . . 28 GLY N . 11162 1 262 . 1 1 29 29 GLU H H 1 7.869 0.030 . 1 . . . . 29 GLU H . 11162 1 263 . 1 1 29 29 GLU HA H 1 4.434 0.030 . 1 . . . . 29 GLU HA . 11162 1 264 . 1 1 29 29 GLU HB2 H 1 2.369 0.030 . 2 . . . . 29 GLU HB2 . 11162 1 265 . 1 1 29 29 GLU HB3 H 1 2.111 0.030 . 2 . . . . 29 GLU HB3 . 11162 1 266 . 1 1 29 29 GLU HG2 H 1 2.348 0.030 . 2 . . . . 29 GLU HG2 . 11162 1 267 . 1 1 29 29 GLU HG3 H 1 2.396 0.030 . 2 . . . . 29 GLU HG3 . 11162 1 268 . 1 1 29 29 GLU C C 13 176.811 0.300 . 1 . . . . 29 GLU C . 11162 1 269 . 1 1 29 29 GLU CA C 13 56.544 0.300 . 1 . . . . 29 GLU CA . 11162 1 270 . 1 1 29 29 GLU CB C 13 30.842 0.300 . 1 . . . . 29 GLU CB . 11162 1 271 . 1 1 29 29 GLU CG C 13 37.190 0.300 . 1 . . . . 29 GLU CG . 11162 1 272 . 1 1 29 29 GLU N N 15 119.774 0.300 . 1 . . . . 29 GLU N . 11162 1 273 . 1 1 30 30 SER H H 1 8.833 0.030 . 1 . . . . 30 SER H . 11162 1 274 . 1 1 30 30 SER HA H 1 4.598 0.030 . 1 . . . . 30 SER HA . 11162 1 275 . 1 1 30 30 SER HB2 H 1 4.028 0.030 . 2 . . . . 30 SER HB2 . 11162 1 276 . 1 1 30 30 SER HB3 H 1 3.984 0.030 . 2 . . . . 30 SER HB3 . 11162 1 277 . 1 1 30 30 SER C C 13 174.823 0.300 . 1 . . . . 30 SER C . 11162 1 278 . 1 1 30 30 SER CA C 13 58.771 0.300 . 1 . . . . 30 SER CA . 11162 1 279 . 1 1 30 30 SER CB C 13 63.306 0.300 . 1 . . . . 30 SER CB . 11162 1 280 . 1 1 30 30 SER N N 15 117.812 0.300 . 1 . . . . 30 SER N . 11162 1 281 . 1 1 31 31 VAL H H 1 8.552 0.030 . 1 . . . . 31 VAL H . 11162 1 282 . 1 1 31 31 VAL HA H 1 4.888 0.030 . 1 . . . . 31 VAL HA . 11162 1 283 . 1 1 31 31 VAL HB H 1 1.793 0.030 . 1 . . . . 31 VAL HB . 11162 1 284 . 1 1 31 31 VAL HG11 H 1 0.490 0.030 . 1 . . . . 31 VAL HG1 . 11162 1 285 . 1 1 31 31 VAL HG12 H 1 0.490 0.030 . 1 . . . . 31 VAL HG1 . 11162 1 286 . 1 1 31 31 VAL HG13 H 1 0.490 0.030 . 1 . . . . 31 VAL HG1 . 11162 1 287 . 1 1 31 31 VAL HG21 H 1 0.602 0.030 . 1 . . . . 31 VAL HG2 . 11162 1 288 . 1 1 31 31 VAL HG22 H 1 0.602 0.030 . 1 . . . . 31 VAL HG2 . 11162 1 289 . 1 1 31 31 VAL HG23 H 1 0.602 0.030 . 1 . . . . 31 VAL HG2 . 11162 1 290 . 1 1 31 31 VAL C C 13 174.787 0.300 . 1 . . . . 31 VAL C . 11162 1 291 . 1 1 31 31 VAL CA C 13 60.395 0.300 . 1 . . . . 31 VAL CA . 11162 1 292 . 1 1 31 31 VAL CB C 13 34.892 0.300 . 1 . . . . 31 VAL CB . 11162 1 293 . 1 1 31 31 VAL CG1 C 13 21.800 0.300 . 2 . . . . 31 VAL CG1 . 11162 1 294 . 1 1 31 31 VAL CG2 C 13 19.546 0.300 . 2 . . . . 31 VAL CG2 . 11162 1 295 . 1 1 31 31 VAL N N 15 123.560 0.300 . 1 . . . . 31 VAL N . 11162 1 296 . 1 1 32 32 ARG H H 1 9.201 0.030 . 1 . . . . 32 ARG H . 11162 1 297 . 1 1 32 32 ARG HA H 1 4.637 0.030 . 1 . . . . 32 ARG HA . 11162 1 298 . 1 1 32 32 ARG HB2 H 1 1.920 0.030 . 2 . . . . 32 ARG HB2 . 11162 1 299 . 1 1 32 32 ARG HB3 H 1 1.736 0.030 . 2 . . . . 32 ARG HB3 . 11162 1 300 . 1 1 32 32 ARG HD2 H 1 3.113 0.030 . 2 . . . . 32 ARG HD2 . 11162 1 301 . 1 1 32 32 ARG HD3 H 1 3.239 0.030 . 2 . . . . 32 ARG HD3 . 11162 1 302 . 1 1 32 32 ARG HE H 1 7.415 0.030 . 1 . . . . 32 ARG HE . 11162 1 303 . 1 1 32 32 ARG HG2 H 1 1.588 0.030 . 2 . . . . 32 ARG HG2 . 11162 1 304 . 1 1 32 32 ARG HG3 H 1 1.485 0.030 . 2 . . . . 32 ARG HG3 . 11162 1 305 . 1 1 32 32 ARG C C 13 173.282 0.300 . 1 . . . . 32 ARG C . 11162 1 306 . 1 1 32 32 ARG CA C 13 54.620 0.300 . 1 . . . . 32 ARG CA . 11162 1 307 . 1 1 32 32 ARG CB C 13 33.684 0.300 . 1 . . . . 32 ARG CB . 11162 1 308 . 1 1 32 32 ARG CD C 13 42.818 0.300 . 1 . . . . 32 ARG CD . 11162 1 309 . 1 1 32 32 ARG CG C 13 27.223 0.300 . 1 . . . . 32 ARG CG . 11162 1 310 . 1 1 32 32 ARG N N 15 124.333 0.300 . 1 . . . . 32 ARG N . 11162 1 311 . 1 1 32 32 ARG NE N 15 112.162 0.300 . 1 . . . . 32 ARG NE . 11162 1 312 . 1 1 33 33 GLN H H 1 8.965 0.030 . 1 . . . . 33 GLN H . 11162 1 313 . 1 1 33 33 GLN HA H 1 5.133 0.030 . 1 . . . . 33 GLN HA . 11162 1 314 . 1 1 33 33 GLN HB2 H 1 2.078 0.030 . 2 . . . . 33 GLN HB2 . 11162 1 315 . 1 1 33 33 GLN HB3 H 1 1.737 0.030 . 2 . . . . 33 GLN HB3 . 11162 1 316 . 1 1 33 33 GLN HE21 H 1 6.787 0.030 . 2 . . . . 33 GLN HE21 . 11162 1 317 . 1 1 33 33 GLN HE22 H 1 7.370 0.030 . 2 . . . . 33 GLN HE22 . 11162 1 318 . 1 1 33 33 GLN HG2 H 1 2.449 0.030 . 2 . . . . 33 GLN HG2 . 11162 1 319 . 1 1 33 33 GLN HG3 H 1 1.939 0.030 . 2 . . . . 33 GLN HG3 . 11162 1 320 . 1 1 33 33 GLN C C 13 176.282 0.300 . 1 . . . . 33 GLN C . 11162 1 321 . 1 1 33 33 GLN CA C 13 54.090 0.300 . 1 . . . . 33 GLN CA . 11162 1 322 . 1 1 33 33 GLN CB C 13 31.059 0.300 . 1 . . . . 33 GLN CB . 11162 1 323 . 1 1 33 33 GLN CG C 13 33.842 0.300 . 1 . . . . 33 GLN CG . 11162 1 324 . 1 1 33 33 GLN N N 15 127.395 0.300 . 1 . . . . 33 GLN N . 11162 1 325 . 1 1 33 33 GLN NE2 N 15 111.717 0.300 . 1 . . . . 33 GLN NE2 . 11162 1 326 . 1 1 34 34 LEU H H 1 8.718 0.030 . 1 . . . . 34 LEU H . 11162 1 327 . 1 1 34 34 LEU HA H 1 4.868 0.030 . 1 . . . . 34 LEU HA . 11162 1 328 . 1 1 34 34 LEU HB2 H 1 2.475 0.030 . 2 . . . . 34 LEU HB2 . 11162 1 329 . 1 1 34 34 LEU HB3 H 1 1.991 0.030 . 2 . . . . 34 LEU HB3 . 11162 1 330 . 1 1 34 34 LEU HD11 H 1 1.154 0.030 . 1 . . . . 34 LEU HD1 . 11162 1 331 . 1 1 34 34 LEU HD12 H 1 1.154 0.030 . 1 . . . . 34 LEU HD1 . 11162 1 332 . 1 1 34 34 LEU HD13 H 1 1.154 0.030 . 1 . . . . 34 LEU HD1 . 11162 1 333 . 1 1 34 34 LEU HD21 H 1 0.982 0.030 . 1 . . . . 34 LEU HD2 . 11162 1 334 . 1 1 34 34 LEU HD22 H 1 0.982 0.030 . 1 . . . . 34 LEU HD2 . 11162 1 335 . 1 1 34 34 LEU HD23 H 1 0.982 0.030 . 1 . . . . 34 LEU HD2 . 11162 1 336 . 1 1 34 34 LEU HG H 1 2.077 0.030 . 1 . . . . 34 LEU HG . 11162 1 337 . 1 1 34 34 LEU C C 13 177.480 0.300 . 1 . . . . 34 LEU C . 11162 1 338 . 1 1 34 34 LEU CA C 13 54.164 0.300 . 1 . . . . 34 LEU CA . 11162 1 339 . 1 1 34 34 LEU CB C 13 41.648 0.300 . 1 . . . . 34 LEU CB . 11162 1 340 . 1 1 34 34 LEU CD1 C 13 25.441 0.300 . 2 . . . . 34 LEU CD1 . 11162 1 341 . 1 1 34 34 LEU CD2 C 13 22.258 0.300 . 2 . . . . 34 LEU CD2 . 11162 1 342 . 1 1 34 34 LEU CG C 13 28.202 0.300 . 1 . . . . 34 LEU CG . 11162 1 343 . 1 1 34 34 LEU N N 15 127.122 0.300 . 1 . . . . 34 LEU N . 11162 1 344 . 1 1 35 35 PRO HA H 1 4.408 0.030 . 1 . . . . 35 PRO HA . 11162 1 345 . 1 1 35 35 PRO HB2 H 1 2.002 0.030 . 2 . . . . 35 PRO HB2 . 11162 1 346 . 1 1 35 35 PRO HB3 H 1 2.457 0.030 . 2 . . . . 35 PRO HB3 . 11162 1 347 . 1 1 35 35 PRO HD2 H 1 3.847 0.030 . 2 . . . . 35 PRO HD2 . 11162 1 348 . 1 1 35 35 PRO HD3 H 1 3.967 0.030 . 2 . . . . 35 PRO HD3 . 11162 1 349 . 1 1 35 35 PRO HG2 H 1 2.247 0.030 . 2 . . . . 35 PRO HG2 . 11162 1 350 . 1 1 35 35 PRO HG3 H 1 2.087 0.030 . 2 . . . . 35 PRO HG3 . 11162 1 351 . 1 1 35 35 PRO C C 13 175.803 0.300 . 1 . . . . 35 PRO C . 11162 1 352 . 1 1 35 35 PRO CA C 13 65.629 0.300 . 1 . . . . 35 PRO CA . 11162 1 353 . 1 1 35 35 PRO CB C 13 31.586 0.300 . 1 . . . . 35 PRO CB . 11162 1 354 . 1 1 35 35 PRO CD C 13 51.160 0.300 . 1 . . . . 35 PRO CD . 11162 1 355 . 1 1 35 35 PRO CG C 13 28.092 0.300 . 1 . . . . 35 PRO CG . 11162 1 356 . 1 1 36 36 CYS H H 1 7.379 0.030 . 1 . . . . 36 CYS H . 11162 1 357 . 1 1 36 36 CYS HA H 1 4.403 0.030 . 1 . . . . 36 CYS HA . 11162 1 358 . 1 1 36 36 CYS HB2 H 1 3.106 0.030 . 2 . . . . 36 CYS HB2 . 11162 1 359 . 1 1 36 36 CYS HB3 H 1 2.688 0.030 . 2 . . . . 36 CYS HB3 . 11162 1 360 . 1 1 36 36 CYS C C 13 175.063 0.300 . 1 . . . . 36 CYS C . 11162 1 361 . 1 1 36 36 CYS CA C 13 57.554 0.300 . 1 . . . . 36 CYS CA . 11162 1 362 . 1 1 36 36 CYS CB C 13 31.366 0.300 . 1 . . . . 36 CYS CB . 11162 1 363 . 1 1 36 36 CYS N N 15 112.554 0.300 . 1 . . . . 36 CYS N . 11162 1 364 . 1 1 37 37 ASN H H 1 8.465 0.030 . 1 . . . . 37 ASN H . 11162 1 365 . 1 1 37 37 ASN HA H 1 4.218 0.030 . 1 . . . . 37 ASN HA . 11162 1 366 . 1 1 37 37 ASN HB2 H 1 2.825 0.030 . 2 . . . . 37 ASN HB2 . 11162 1 367 . 1 1 37 37 ASN HB3 H 1 3.127 0.030 . 2 . . . . 37 ASN HB3 . 11162 1 368 . 1 1 37 37 ASN HD21 H 1 6.714 0.030 . 2 . . . . 37 ASN HD21 . 11162 1 369 . 1 1 37 37 ASN HD22 H 1 7.296 0.030 . 2 . . . . 37 ASN HD22 . 11162 1 370 . 1 1 37 37 ASN C C 13 175.000 0.300 . 1 . . . . 37 ASN C . 11162 1 371 . 1 1 37 37 ASN CA C 13 55.729 0.300 . 1 . . . . 37 ASN CA . 11162 1 372 . 1 1 37 37 ASN CB C 13 36.614 0.300 . 1 . . . . 37 ASN CB . 11162 1 373 . 1 1 37 37 ASN N N 15 114.159 0.300 . 1 . . . . 37 ASN N . 11162 1 374 . 1 1 37 37 ASN ND2 N 15 111.614 0.300 . 1 . . . . 37 ASN ND2 . 11162 1 375 . 1 1 38 38 HIS H H 1 7.938 0.030 . 1 . . . . 38 HIS H . 11162 1 376 . 1 1 38 38 HIS HA H 1 4.475 0.030 . 1 . . . . 38 HIS HA . 11162 1 377 . 1 1 38 38 HIS HB2 H 1 3.361 0.030 . 2 . . . . 38 HIS HB2 . 11162 1 378 . 1 1 38 38 HIS HB3 H 1 2.816 0.030 . 2 . . . . 38 HIS HB3 . 11162 1 379 . 1 1 38 38 HIS HD2 H 1 7.280 0.030 . 1 . . . . 38 HIS HD2 . 11162 1 380 . 1 1 38 38 HIS HE1 H 1 7.867 0.030 . 1 . . . . 38 HIS HE1 . 11162 1 381 . 1 1 38 38 HIS C C 13 172.479 0.300 . 1 . . . . 38 HIS C . 11162 1 382 . 1 1 38 38 HIS CA C 13 61.331 0.300 . 1 . . . . 38 HIS CA . 11162 1 383 . 1 1 38 38 HIS CB C 13 31.136 0.300 . 1 . . . . 38 HIS CB . 11162 1 384 . 1 1 38 38 HIS CD2 C 13 118.596 0.300 . 1 . . . . 38 HIS CD2 . 11162 1 385 . 1 1 38 38 HIS CE1 C 13 138.346 0.300 . 1 . . . . 38 HIS CE1 . 11162 1 386 . 1 1 38 38 HIS N N 15 121.328 0.300 . 1 . . . . 38 HIS N . 11162 1 387 . 1 1 39 39 LEU H H 1 7.970 0.030 . 1 . . . . 39 LEU H . 11162 1 388 . 1 1 39 39 LEU HA H 1 5.029 0.030 . 1 . . . . 39 LEU HA . 11162 1 389 . 1 1 39 39 LEU HB2 H 1 1.265 0.030 . 1 . . . . 39 LEU HB2 . 11162 1 390 . 1 1 39 39 LEU HB3 H 1 1.265 0.030 . 1 . . . . 39 LEU HB3 . 11162 1 391 . 1 1 39 39 LEU HD11 H 1 0.654 0.030 . 1 . . . . 39 LEU HD1 . 11162 1 392 . 1 1 39 39 LEU HD12 H 1 0.654 0.030 . 1 . . . . 39 LEU HD1 . 11162 1 393 . 1 1 39 39 LEU HD13 H 1 0.654 0.030 . 1 . . . . 39 LEU HD1 . 11162 1 394 . 1 1 39 39 LEU HD21 H 1 0.484 0.030 . 1 . . . . 39 LEU HD2 . 11162 1 395 . 1 1 39 39 LEU HD22 H 1 0.484 0.030 . 1 . . . . 39 LEU HD2 . 11162 1 396 . 1 1 39 39 LEU HD23 H 1 0.484 0.030 . 1 . . . . 39 LEU HD2 . 11162 1 397 . 1 1 39 39 LEU HG H 1 1.298 0.030 . 1 . . . . 39 LEU HG . 11162 1 398 . 1 1 39 39 LEU C C 13 174.900 0.300 . 1 . . . . 39 LEU C . 11162 1 399 . 1 1 39 39 LEU CA C 13 54.272 0.300 . 1 . . . . 39 LEU CA . 11162 1 400 . 1 1 39 39 LEU CB C 13 45.676 0.300 . 1 . . . . 39 LEU CB . 11162 1 401 . 1 1 39 39 LEU CD1 C 13 24.911 0.300 . 2 . . . . 39 LEU CD1 . 11162 1 402 . 1 1 39 39 LEU CD2 C 13 25.230 0.300 . 2 . . . . 39 LEU CD2 . 11162 1 403 . 1 1 39 39 LEU CG C 13 27.275 0.300 . 1 . . . . 39 LEU CG . 11162 1 404 . 1 1 39 39 LEU N N 15 124.784 0.300 . 1 . . . . 39 LEU N . 11162 1 405 . 1 1 40 40 PHE H H 1 8.245 0.030 . 1 . . . . 40 PHE H . 11162 1 406 . 1 1 40 40 PHE HA H 1 5.335 0.030 . 1 . . . . 40 PHE HA . 11162 1 407 . 1 1 40 40 PHE HB2 H 1 2.442 0.030 . 2 . . . . 40 PHE HB2 . 11162 1 408 . 1 1 40 40 PHE HB3 H 1 3.349 0.030 . 2 . . . . 40 PHE HB3 . 11162 1 409 . 1 1 40 40 PHE HD1 H 1 7.223 0.030 . 1 . . . . 40 PHE HD1 . 11162 1 410 . 1 1 40 40 PHE HD2 H 1 7.223 0.030 . 1 . . . . 40 PHE HD2 . 11162 1 411 . 1 1 40 40 PHE HE1 H 1 7.056 0.030 . 1 . . . . 40 PHE HE1 . 11162 1 412 . 1 1 40 40 PHE HE2 H 1 7.056 0.030 . 1 . . . . 40 PHE HE2 . 11162 1 413 . 1 1 40 40 PHE HZ H 1 7.517 0.030 . 1 . . . . 40 PHE HZ . 11162 1 414 . 1 1 40 40 PHE C C 13 177.518 0.300 . 1 . . . . 40 PHE C . 11162 1 415 . 1 1 40 40 PHE CA C 13 56.290 0.300 . 1 . . . . 40 PHE CA . 11162 1 416 . 1 1 40 40 PHE CB C 13 46.259 0.300 . 1 . . . . 40 PHE CB . 11162 1 417 . 1 1 40 40 PHE CD1 C 13 132.427 0.300 . 1 . . . . 40 PHE CD1 . 11162 1 418 . 1 1 40 40 PHE CD2 C 13 132.427 0.300 . 1 . . . . 40 PHE CD2 . 11162 1 419 . 1 1 40 40 PHE CE1 C 13 130.896 0.300 . 1 . . . . 40 PHE CE1 . 11162 1 420 . 1 1 40 40 PHE CE2 C 13 130.896 0.300 . 1 . . . . 40 PHE CE2 . 11162 1 421 . 1 1 40 40 PHE CZ C 13 130.068 0.300 . 1 . . . . 40 PHE CZ . 11162 1 422 . 1 1 40 40 PHE N N 15 116.695 0.300 . 1 . . . . 40 PHE N . 11162 1 423 . 1 1 41 41 HIS H H 1 8.640 0.030 . 1 . . . . 41 HIS H . 11162 1 424 . 1 1 41 41 HIS HA H 1 4.928 0.030 . 1 . . . . 41 HIS HA . 11162 1 425 . 1 1 41 41 HIS HB2 H 1 3.844 0.030 . 2 . . . . 41 HIS HB2 . 11162 1 426 . 1 1 41 41 HIS HB3 H 1 3.745 0.030 . 2 . . . . 41 HIS HB3 . 11162 1 427 . 1 1 41 41 HIS HD2 H 1 7.244 0.030 . 1 . . . . 41 HIS HD2 . 11162 1 428 . 1 1 41 41 HIS HE1 H 1 7.290 0.030 . 1 . . . . 41 HIS HE1 . 11162 1 429 . 1 1 41 41 HIS C C 13 178.275 0.300 . 1 . . . . 41 HIS C . 11162 1 430 . 1 1 41 41 HIS CA C 13 60.383 0.300 . 1 . . . . 41 HIS CA . 11162 1 431 . 1 1 41 41 HIS CB C 13 31.188 0.300 . 1 . . . . 41 HIS CB . 11162 1 432 . 1 1 41 41 HIS CD2 C 13 118.095 0.300 . 1 . . . . 41 HIS CD2 . 11162 1 433 . 1 1 41 41 HIS CE1 C 13 138.732 0.300 . 1 . . . . 41 HIS CE1 . 11162 1 434 . 1 1 41 41 HIS N N 15 119.200 0.300 . 1 . . . . 41 HIS N . 11162 1 435 . 1 1 42 42 ASP H H 1 9.165 0.030 . 1 . . . . 42 ASP H . 11162 1 436 . 1 1 42 42 ASP HA H 1 4.383 0.030 . 1 . . . . 42 ASP HA . 11162 1 437 . 1 1 42 42 ASP HB2 H 1 2.655 0.030 . 2 . . . . 42 ASP HB2 . 11162 1 438 . 1 1 42 42 ASP HB3 H 1 2.469 0.030 . 2 . . . . 42 ASP HB3 . 11162 1 439 . 1 1 42 42 ASP C C 13 177.729 0.300 . 1 . . . . 42 ASP C . 11162 1 440 . 1 1 42 42 ASP CA C 13 58.886 0.300 . 1 . . . . 42 ASP CA . 11162 1 441 . 1 1 42 42 ASP CB C 13 41.983 0.300 . 1 . . . . 42 ASP CB . 11162 1 442 . 1 1 42 42 ASP N N 15 128.507 0.300 . 1 . . . . 42 ASP N . 11162 1 443 . 1 1 43 43 SER H H 1 8.945 0.030 . 1 . . . . 43 SER H . 11162 1 444 . 1 1 43 43 SER HA H 1 4.236 0.030 . 1 . . . . 43 SER HA . 11162 1 445 . 1 1 43 43 SER HB2 H 1 4.049 0.030 . 2 . . . . 43 SER HB2 . 11162 1 446 . 1 1 43 43 SER HB3 H 1 3.960 0.030 . 2 . . . . 43 SER HB3 . 11162 1 447 . 1 1 43 43 SER C C 13 176.127 0.300 . 1 . . . . 43 SER C . 11162 1 448 . 1 1 43 43 SER CA C 13 60.646 0.300 . 1 . . . . 43 SER CA . 11162 1 449 . 1 1 43 43 SER CB C 13 62.720 0.300 . 1 . . . . 43 SER CB . 11162 1 450 . 1 1 43 43 SER N N 15 109.558 0.300 . 1 . . . . 43 SER N . 11162 1 451 . 1 1 44 44 CYS H H 1 7.258 0.030 . 1 . . . . 44 CYS H . 11162 1 452 . 1 1 44 44 CYS HA H 1 4.391 0.030 . 1 . . . . 44 CYS HA . 11162 1 453 . 1 1 44 44 CYS HB2 H 1 3.235 0.030 . 2 . . . . 44 CYS HB2 . 11162 1 454 . 1 1 44 44 CYS HB3 H 1 2.909 0.030 . 2 . . . . 44 CYS HB3 . 11162 1 455 . 1 1 44 44 CYS C C 13 176.344 0.300 . 1 . . . . 44 CYS C . 11162 1 456 . 1 1 44 44 CYS CA C 13 62.602 0.300 . 1 . . . . 44 CYS CA . 11162 1 457 . 1 1 44 44 CYS CB C 13 30.280 0.300 . 1 . . . . 44 CYS CB . 11162 1 458 . 1 1 44 44 CYS N N 15 117.964 0.300 . 1 . . . . 44 CYS N . 11162 1 459 . 1 1 45 45 ILE H H 1 7.895 0.030 . 1 . . . . 45 ILE H . 11162 1 460 . 1 1 45 45 ILE HA H 1 4.593 0.030 . 1 . . . . 45 ILE HA . 11162 1 461 . 1 1 45 45 ILE HB H 1 1.339 0.030 . 1 . . . . 45 ILE HB . 11162 1 462 . 1 1 45 45 ILE HD11 H 1 0.001 0.030 . 1 . . . . 45 ILE HD1 . 11162 1 463 . 1 1 45 45 ILE HD12 H 1 0.001 0.030 . 1 . . . . 45 ILE HD1 . 11162 1 464 . 1 1 45 45 ILE HD13 H 1 0.001 0.030 . 1 . . . . 45 ILE HD1 . 11162 1 465 . 1 1 45 45 ILE HG12 H 1 0.839 0.030 . 2 . . . . 45 ILE HG12 . 11162 1 466 . 1 1 45 45 ILE HG13 H 1 1.321 0.030 . 2 . . . . 45 ILE HG13 . 11162 1 467 . 1 1 45 45 ILE HG21 H 1 1.105 0.030 . 1 . . . . 45 ILE HG2 . 11162 1 468 . 1 1 45 45 ILE HG22 H 1 1.105 0.030 . 1 . . . . 45 ILE HG2 . 11162 1 469 . 1 1 45 45 ILE HG23 H 1 1.105 0.030 . 1 . . . . 45 ILE HG2 . 11162 1 470 . 1 1 45 45 ILE C C 13 175.224 0.300 . 1 . . . . 45 ILE C . 11162 1 471 . 1 1 45 45 ILE CA C 13 57.706 0.300 . 1 . . . . 45 ILE CA . 11162 1 472 . 1 1 45 45 ILE CB C 13 40.029 0.300 . 1 . . . . 45 ILE CB . 11162 1 473 . 1 1 45 45 ILE CD1 C 13 13.275 0.300 . 1 . . . . 45 ILE CD1 . 11162 1 474 . 1 1 45 45 ILE CG1 C 13 29.721 0.300 . 1 . . . . 45 ILE CG1 . 11162 1 475 . 1 1 45 45 ILE CG2 C 13 20.212 0.300 . 1 . . . . 45 ILE CG2 . 11162 1 476 . 1 1 45 45 ILE N N 15 116.996 0.300 . 1 . . . . 45 ILE N . 11162 1 477 . 1 1 46 46 VAL H H 1 8.168 0.030 . 1 . . . . 46 VAL H . 11162 1 478 . 1 1 46 46 VAL HA H 1 3.798 0.030 . 1 . . . . 46 VAL HA . 11162 1 479 . 1 1 46 46 VAL HB H 1 2.233 0.030 . 1 . . . . 46 VAL HB . 11162 1 480 . 1 1 46 46 VAL HG11 H 1 0.937 0.030 . 1 . . . . 46 VAL HG1 . 11162 1 481 . 1 1 46 46 VAL HG12 H 1 0.937 0.030 . 1 . . . . 46 VAL HG1 . 11162 1 482 . 1 1 46 46 VAL HG13 H 1 0.937 0.030 . 1 . . . . 46 VAL HG1 . 11162 1 483 . 1 1 46 46 VAL HG21 H 1 1.108 0.030 . 1 . . . . 46 VAL HG2 . 11162 1 484 . 1 1 46 46 VAL HG22 H 1 1.108 0.030 . 1 . . . . 46 VAL HG2 . 11162 1 485 . 1 1 46 46 VAL HG23 H 1 1.108 0.030 . 1 . . . . 46 VAL HG2 . 11162 1 486 . 1 1 46 46 VAL C C 13 175.868 0.300 . 1 . . . . 46 VAL C . 11162 1 487 . 1 1 46 46 VAL CA C 13 69.494 0.300 . 1 . . . . 46 VAL CA . 11162 1 488 . 1 1 46 46 VAL CB C 13 29.955 0.300 . 1 . . . . 46 VAL CB . 11162 1 489 . 1 1 46 46 VAL CG1 C 13 20.892 0.300 . 2 . . . . 46 VAL CG1 . 11162 1 490 . 1 1 46 46 VAL CG2 C 13 24.545 0.300 . 2 . . . . 46 VAL CG2 . 11162 1 491 . 1 1 46 46 VAL N N 15 125.098 0.300 . 1 . . . . 46 VAL N . 11162 1 492 . 1 1 47 47 PRO HA H 1 4.417 0.030 . 1 . . . . 47 PRO HA . 11162 1 493 . 1 1 47 47 PRO HB2 H 1 2.379 0.030 . 2 . . . . 47 PRO HB2 . 11162 1 494 . 1 1 47 47 PRO HB3 H 1 1.909 0.030 . 2 . . . . 47 PRO HB3 . 11162 1 495 . 1 1 47 47 PRO HD2 H 1 3.480 0.030 . 2 . . . . 47 PRO HD2 . 11162 1 496 . 1 1 47 47 PRO HD3 H 1 3.620 0.030 . 2 . . . . 47 PRO HD3 . 11162 1 497 . 1 1 47 47 PRO HG2 H 1 2.184 0.030 . 2 . . . . 47 PRO HG2 . 11162 1 498 . 1 1 47 47 PRO HG3 H 1 2.018 0.030 . 2 . . . . 47 PRO HG3 . 11162 1 499 . 1 1 47 47 PRO C C 13 179.864 0.300 . 1 . . . . 47 PRO C . 11162 1 500 . 1 1 47 47 PRO CA C 13 65.611 0.300 . 1 . . . . 47 PRO CA . 11162 1 501 . 1 1 47 47 PRO CB C 13 30.865 0.300 . 1 . . . . 47 PRO CB . 11162 1 502 . 1 1 47 47 PRO CD C 13 50.229 0.300 . 1 . . . . 47 PRO CD . 11162 1 503 . 1 1 47 47 PRO CG C 13 28.443 0.300 . 1 . . . . 47 PRO CG . 11162 1 504 . 1 1 48 48 TRP H H 1 6.952 0.030 . 1 . . . . 48 TRP H . 11162 1 505 . 1 1 48 48 TRP HA H 1 4.389 0.030 . 1 . . . . 48 TRP HA . 11162 1 506 . 1 1 48 48 TRP HB2 H 1 3.464 0.030 . 1 . . . . 48 TRP HB2 . 11162 1 507 . 1 1 48 48 TRP HB3 H 1 3.464 0.030 . 1 . . . . 48 TRP HB3 . 11162 1 508 . 1 1 48 48 TRP HD1 H 1 7.007 0.030 . 1 . . . . 48 TRP HD1 . 11162 1 509 . 1 1 48 48 TRP HE1 H 1 9.823 0.030 . 1 . . . . 48 TRP HE1 . 11162 1 510 . 1 1 48 48 TRP HE3 H 1 7.630 0.030 . 1 . . . . 48 TRP HE3 . 11162 1 511 . 1 1 48 48 TRP HH2 H 1 6.874 0.030 . 1 . . . . 48 TRP HH2 . 11162 1 512 . 1 1 48 48 TRP HZ2 H 1 7.005 0.030 . 1 . . . . 48 TRP HZ2 . 11162 1 513 . 1 1 48 48 TRP HZ3 H 1 7.030 0.030 . 1 . . . . 48 TRP HZ3 . 11162 1 514 . 1 1 48 48 TRP C C 13 178.601 0.300 . 1 . . . . 48 TRP C . 11162 1 515 . 1 1 48 48 TRP CA C 13 60.610 0.300 . 1 . . . . 48 TRP CA . 11162 1 516 . 1 1 48 48 TRP CB C 13 28.848 0.300 . 1 . . . . 48 TRP CB . 11162 1 517 . 1 1 48 48 TRP CD1 C 13 126.154 0.300 . 1 . . . . 48 TRP CD1 . 11162 1 518 . 1 1 48 48 TRP CE3 C 13 120.436 0.300 . 1 . . . . 48 TRP CE3 . 11162 1 519 . 1 1 48 48 TRP CH2 C 13 124.715 0.300 . 1 . . . . 48 TRP CH2 . 11162 1 520 . 1 1 48 48 TRP CZ2 C 13 113.976 0.300 . 1 . . . . 48 TRP CZ2 . 11162 1 521 . 1 1 48 48 TRP CZ3 C 13 122.220 0.300 . 1 . . . . 48 TRP CZ3 . 11162 1 522 . 1 1 48 48 TRP N N 15 117.862 0.300 . 1 . . . . 48 TRP N . 11162 1 523 . 1 1 48 48 TRP NE1 N 15 129.923 0.300 . 1 . . . . 48 TRP NE1 . 11162 1 524 . 1 1 49 49 LEU H H 1 8.403 0.030 . 1 . . . . 49 LEU H . 11162 1 525 . 1 1 49 49 LEU HA H 1 4.536 0.030 . 1 . . . . 49 LEU HA . 11162 1 526 . 1 1 49 49 LEU HB2 H 1 1.646 0.030 . 2 . . . . 49 LEU HB2 . 11162 1 527 . 1 1 49 49 LEU HB3 H 1 1.989 0.030 . 2 . . . . 49 LEU HB3 . 11162 1 528 . 1 1 49 49 LEU HD11 H 1 0.894 0.030 . 1 . . . . 49 LEU HD1 . 11162 1 529 . 1 1 49 49 LEU HD12 H 1 0.894 0.030 . 1 . . . . 49 LEU HD1 . 11162 1 530 . 1 1 49 49 LEU HD13 H 1 0.894 0.030 . 1 . . . . 49 LEU HD1 . 11162 1 531 . 1 1 49 49 LEU HD21 H 1 0.969 0.030 . 1 . . . . 49 LEU HD2 . 11162 1 532 . 1 1 49 49 LEU HD22 H 1 0.969 0.030 . 1 . . . . 49 LEU HD2 . 11162 1 533 . 1 1 49 49 LEU HD23 H 1 0.969 0.030 . 1 . . . . 49 LEU HD2 . 11162 1 534 . 1 1 49 49 LEU HG H 1 1.975 0.030 . 1 . . . . 49 LEU HG . 11162 1 535 . 1 1 49 49 LEU C C 13 178.902 0.300 . 1 . . . . 49 LEU C . 11162 1 536 . 1 1 49 49 LEU CA C 13 56.523 0.300 . 1 . . . . 49 LEU CA . 11162 1 537 . 1 1 49 49 LEU CB C 13 41.338 0.300 . 1 . . . . 49 LEU CB . 11162 1 538 . 1 1 49 49 LEU CD1 C 13 26.139 0.300 . 2 . . . . 49 LEU CD1 . 11162 1 539 . 1 1 49 49 LEU CD2 C 13 22.261 0.300 . 2 . . . . 49 LEU CD2 . 11162 1 540 . 1 1 49 49 LEU CG C 13 26.652 0.300 . 1 . . . . 49 LEU CG . 11162 1 541 . 1 1 49 49 LEU N N 15 118.664 0.300 . 1 . . . . 49 LEU N . 11162 1 542 . 1 1 50 50 GLU H H 1 7.672 0.030 . 1 . . . . 50 GLU H . 11162 1 543 . 1 1 50 50 GLU HA H 1 3.987 0.030 . 1 . . . . 50 GLU HA . 11162 1 544 . 1 1 50 50 GLU HB2 H 1 2.109 0.030 . 2 . . . . 50 GLU HB2 . 11162 1 545 . 1 1 50 50 GLU HB3 H 1 2.002 0.030 . 2 . . . . 50 GLU HB3 . 11162 1 546 . 1 1 50 50 GLU HG2 H 1 2.498 0.030 . 2 . . . . 50 GLU HG2 . 11162 1 547 . 1 1 50 50 GLU HG3 H 1 2.210 0.030 . 2 . . . . 50 GLU HG3 . 11162 1 548 . 1 1 50 50 GLU C C 13 177.679 0.300 . 1 . . . . 50 GLU C . 11162 1 549 . 1 1 50 50 GLU CA C 13 58.844 0.300 . 1 . . . . 50 GLU CA . 11162 1 550 . 1 1 50 50 GLU CB C 13 29.924 0.300 . 1 . . . . 50 GLU CB . 11162 1 551 . 1 1 50 50 GLU CG C 13 36.731 0.300 . 1 . . . . 50 GLU CG . 11162 1 552 . 1 1 50 50 GLU N N 15 117.488 0.300 . 1 . . . . 50 GLU N . 11162 1 553 . 1 1 51 51 GLN H H 1 7.116 0.030 . 1 . . . . 51 GLN H . 11162 1 554 . 1 1 51 51 GLN HA H 1 4.191 0.030 . 1 . . . . 51 GLN HA . 11162 1 555 . 1 1 51 51 GLN HB2 H 1 1.483 0.030 . 2 . . . . 51 GLN HB2 . 11162 1 556 . 1 1 51 51 GLN HB3 H 1 1.377 0.030 . 2 . . . . 51 GLN HB3 . 11162 1 557 . 1 1 51 51 GLN HE21 H 1 7.411 0.030 . 2 . . . . 51 GLN HE21 . 11162 1 558 . 1 1 51 51 GLN HE22 H 1 6.714 0.030 . 2 . . . . 51 GLN HE22 . 11162 1 559 . 1 1 51 51 GLN HG2 H 1 2.105 0.030 . 2 . . . . 51 GLN HG2 . 11162 1 560 . 1 1 51 51 GLN HG3 H 1 1.970 0.030 . 2 . . . . 51 GLN HG3 . 11162 1 561 . 1 1 51 51 GLN C C 13 175.274 0.300 . 1 . . . . 51 GLN C . 11162 1 562 . 1 1 51 51 GLN CA C 13 55.668 0.300 . 1 . . . . 51 GLN CA . 11162 1 563 . 1 1 51 51 GLN CB C 13 30.781 0.300 . 1 . . . . 51 GLN CB . 11162 1 564 . 1 1 51 51 GLN CG C 13 33.616 0.300 . 1 . . . . 51 GLN CG . 11162 1 565 . 1 1 51 51 GLN N N 15 113.188 0.300 . 1 . . . . 51 GLN N . 11162 1 566 . 1 1 51 51 GLN NE2 N 15 112.005 0.300 . 1 . . . . 51 GLN NE2 . 11162 1 567 . 1 1 52 52 HIS H H 1 7.892 0.030 . 1 . . . . 52 HIS H . 11162 1 568 . 1 1 52 52 HIS HA H 1 4.552 0.030 . 1 . . . . 52 HIS HA . 11162 1 569 . 1 1 52 52 HIS HB2 H 1 2.831 0.030 . 2 . . . . 52 HIS HB2 . 11162 1 570 . 1 1 52 52 HIS HB3 H 1 1.908 0.030 . 2 . . . . 52 HIS HB3 . 11162 1 571 . 1 1 52 52 HIS HD2 H 1 5.796 0.030 . 1 . . . . 52 HIS HD2 . 11162 1 572 . 1 1 52 52 HIS HE1 H 1 7.806 0.030 . 1 . . . . 52 HIS HE1 . 11162 1 573 . 1 1 52 52 HIS C C 13 174.214 0.300 . 1 . . . . 52 HIS C . 11162 1 574 . 1 1 52 52 HIS CA C 13 55.320 0.300 . 1 . . . . 52 HIS CA . 11162 1 575 . 1 1 52 52 HIS CB C 13 31.477 0.300 . 1 . . . . 52 HIS CB . 11162 1 576 . 1 1 52 52 HIS CD2 C 13 120.304 0.300 . 1 . . . . 52 HIS CD2 . 11162 1 577 . 1 1 52 52 HIS CE1 C 13 136.245 0.300 . 1 . . . . 52 HIS CE1 . 11162 1 578 . 1 1 52 52 HIS N N 15 116.092 0.300 . 1 . . . . 52 HIS N . 11162 1 579 . 1 1 53 53 ASP H H 1 8.469 0.030 . 1 . . . . 53 ASP H . 11162 1 580 . 1 1 53 53 ASP HA H 1 4.759 0.030 . 1 . . . . 53 ASP HA . 11162 1 581 . 1 1 53 53 ASP HB2 H 1 2.765 0.030 . 2 . . . . 53 ASP HB2 . 11162 1 582 . 1 1 53 53 ASP HB3 H 1 2.681 0.030 . 2 . . . . 53 ASP HB3 . 11162 1 583 . 1 1 53 53 ASP C C 13 175.092 0.300 . 1 . . . . 53 ASP C . 11162 1 584 . 1 1 53 53 ASP CA C 13 53.588 0.300 . 1 . . . . 53 ASP CA . 11162 1 585 . 1 1 53 53 ASP CB C 13 40.715 0.300 . 1 . . . . 53 ASP CB . 11162 1 586 . 1 1 53 53 ASP N N 15 119.863 0.300 . 1 . . . . 53 ASP N . 11162 1 587 . 1 1 54 54 SER H H 1 7.311 0.030 . 1 . . . . 54 SER H . 11162 1 588 . 1 1 54 54 SER HA H 1 4.912 0.030 . 1 . . . . 54 SER HA . 11162 1 589 . 1 1 54 54 SER HB2 H 1 3.485 0.030 . 2 . . . . 54 SER HB2 . 11162 1 590 . 1 1 54 54 SER HB3 H 1 3.772 0.030 . 2 . . . . 54 SER HB3 . 11162 1 591 . 1 1 54 54 SER C C 13 172.290 0.300 . 1 . . . . 54 SER C . 11162 1 592 . 1 1 54 54 SER CA C 13 56.348 0.300 . 1 . . . . 54 SER CA . 11162 1 593 . 1 1 54 54 SER CB C 13 65.949 0.300 . 1 . . . . 54 SER CB . 11162 1 594 . 1 1 54 54 SER N N 15 109.556 0.300 . 1 . . . . 54 SER N . 11162 1 595 . 1 1 55 55 CYS H H 1 8.042 0.030 . 1 . . . . 55 CYS H . 11162 1 596 . 1 1 55 55 CYS HA H 1 4.399 0.030 . 1 . . . . 55 CYS HA . 11162 1 597 . 1 1 55 55 CYS HB2 H 1 3.171 0.030 . 1 . . . . 55 CYS HB2 . 11162 1 598 . 1 1 55 55 CYS HB3 H 1 3.171 0.030 . 1 . . . . 55 CYS HB3 . 11162 1 599 . 1 1 55 55 CYS C C 13 176.271 0.300 . 1 . . . . 55 CYS C . 11162 1 600 . 1 1 55 55 CYS CA C 13 55.935 0.300 . 1 . . . . 55 CYS CA . 11162 1 601 . 1 1 55 55 CYS CB C 13 32.356 0.300 . 1 . . . . 55 CYS CB . 11162 1 602 . 1 1 55 55 CYS N N 15 121.674 0.300 . 1 . . . . 55 CYS N . 11162 1 603 . 1 1 56 56 PRO HA H 1 3.917 0.030 . 1 . . . . 56 PRO HA . 11162 1 604 . 1 1 56 56 PRO HB2 H 1 1.183 0.030 . 2 . . . . 56 PRO HB2 . 11162 1 605 . 1 1 56 56 PRO HB3 H 1 0.425 0.030 . 2 . . . . 56 PRO HB3 . 11162 1 606 . 1 1 56 56 PRO HD2 H 1 3.112 0.030 . 2 . . . . 56 PRO HD2 . 11162 1 607 . 1 1 56 56 PRO HD3 H 1 3.679 0.030 . 2 . . . . 56 PRO HD3 . 11162 1 608 . 1 1 56 56 PRO HG2 H 1 0.372 0.030 . 2 . . . . 56 PRO HG2 . 11162 1 609 . 1 1 56 56 PRO HG3 H 1 1.174 0.030 . 2 . . . . 56 PRO HG3 . 11162 1 610 . 1 1 56 56 PRO C C 13 176.794 0.300 . 1 . . . . 56 PRO C . 11162 1 611 . 1 1 56 56 PRO CA C 13 64.448 0.300 . 1 . . . . 56 PRO CA . 11162 1 612 . 1 1 56 56 PRO CB C 13 30.637 0.300 . 1 . . . . 56 PRO CB . 11162 1 613 . 1 1 56 56 PRO CD C 13 50.393 0.300 . 1 . . . . 56 PRO CD . 11162 1 614 . 1 1 56 56 PRO CG C 13 25.844 0.300 . 1 . . . . 56 PRO CG . 11162 1 615 . 1 1 57 57 VAL H H 1 9.069 0.030 . 1 . . . . 57 VAL H . 11162 1 616 . 1 1 57 57 VAL HA H 1 3.726 0.030 . 1 . . . . 57 VAL HA . 11162 1 617 . 1 1 57 57 VAL HB H 1 1.293 0.030 . 1 . . . . 57 VAL HB . 11162 1 618 . 1 1 57 57 VAL HG11 H 1 0.393 0.030 . 1 . . . . 57 VAL HG1 . 11162 1 619 . 1 1 57 57 VAL HG12 H 1 0.393 0.030 . 1 . . . . 57 VAL HG1 . 11162 1 620 . 1 1 57 57 VAL HG13 H 1 0.393 0.030 . 1 . . . . 57 VAL HG1 . 11162 1 621 . 1 1 57 57 VAL HG21 H 1 0.732 0.030 . 1 . . . . 57 VAL HG2 . 11162 1 622 . 1 1 57 57 VAL HG22 H 1 0.732 0.030 . 1 . . . . 57 VAL HG2 . 11162 1 623 . 1 1 57 57 VAL HG23 H 1 0.732 0.030 . 1 . . . . 57 VAL HG2 . 11162 1 624 . 1 1 57 57 VAL C C 13 177.363 0.300 . 1 . . . . 57 VAL C . 11162 1 625 . 1 1 57 57 VAL CA C 13 64.948 0.300 . 1 . . . . 57 VAL CA . 11162 1 626 . 1 1 57 57 VAL CB C 13 32.909 0.300 . 1 . . . . 57 VAL CB . 11162 1 627 . 1 1 57 57 VAL CG1 C 13 20.175 0.300 . 2 . . . . 57 VAL CG1 . 11162 1 628 . 1 1 57 57 VAL CG2 C 13 22.021 0.300 . 2 . . . . 57 VAL CG2 . 11162 1 629 . 1 1 57 57 VAL N N 15 121.960 0.300 . 1 . . . . 57 VAL N . 11162 1 630 . 1 1 58 58 CYS H H 1 8.482 0.030 . 1 . . . . 58 CYS H . 11162 1 631 . 1 1 58 58 CYS HA H 1 4.737 0.030 . 1 . . . . 58 CYS HA . 11162 1 632 . 1 1 58 58 CYS HB2 H 1 2.883 0.030 . 2 . . . . 58 CYS HB2 . 11162 1 633 . 1 1 58 58 CYS HB3 H 1 3.307 0.030 . 2 . . . . 58 CYS HB3 . 11162 1 634 . 1 1 58 58 CYS C C 13 176.235 0.300 . 1 . . . . 58 CYS C . 11162 1 635 . 1 1 58 58 CYS CA C 13 59.642 0.300 . 1 . . . . 58 CYS CA . 11162 1 636 . 1 1 58 58 CYS CB C 13 31.927 0.300 . 1 . . . . 58 CYS CB . 11162 1 637 . 1 1 59 59 ARG H H 1 7.971 0.030 . 1 . . . . 59 ARG H . 11162 1 638 . 1 1 59 59 ARG HA H 1 4.208 0.030 . 1 . . . . 59 ARG HA . 11162 1 639 . 1 1 59 59 ARG HB2 H 1 2.081 0.030 . 2 . . . . 59 ARG HB2 . 11162 1 640 . 1 1 59 59 ARG HB3 H 1 2.115 0.030 . 2 . . . . 59 ARG HB3 . 11162 1 641 . 1 1 59 59 ARG HD2 H 1 3.211 0.030 . 2 . . . . 59 ARG HD2 . 11162 1 642 . 1 1 59 59 ARG HD3 H 1 3.169 0.030 . 2 . . . . 59 ARG HD3 . 11162 1 643 . 1 1 59 59 ARG HG2 H 1 1.542 0.030 . 1 . . . . 59 ARG HG2 . 11162 1 644 . 1 1 59 59 ARG HG3 H 1 1.542 0.030 . 1 . . . . 59 ARG HG3 . 11162 1 645 . 1 1 59 59 ARG C C 13 175.395 0.300 . 1 . . . . 59 ARG C . 11162 1 646 . 1 1 59 59 ARG CA C 13 57.656 0.300 . 1 . . . . 59 ARG CA . 11162 1 647 . 1 1 59 59 ARG CB C 13 27.335 0.300 . 1 . . . . 59 ARG CB . 11162 1 648 . 1 1 59 59 ARG CD C 13 43.058 0.300 . 1 . . . . 59 ARG CD . 11162 1 649 . 1 1 59 59 ARG CG C 13 27.554 0.300 . 1 . . . . 59 ARG CG . 11162 1 650 . 1 1 59 59 ARG N N 15 116.369 0.300 . 1 . . . . 59 ARG N . 11162 1 651 . 1 1 60 60 LYS H H 1 7.884 0.030 . 1 . . . . 60 LYS H . 11162 1 652 . 1 1 60 60 LYS HA H 1 4.351 0.030 . 1 . . . . 60 LYS HA . 11162 1 653 . 1 1 60 60 LYS HB2 H 1 1.903 0.030 . 2 . . . . 60 LYS HB2 . 11162 1 654 . 1 1 60 60 LYS HB3 H 1 1.841 0.030 . 2 . . . . 60 LYS HB3 . 11162 1 655 . 1 1 60 60 LYS HD2 H 1 1.737 0.030 . 2 . . . . 60 LYS HD2 . 11162 1 656 . 1 1 60 60 LYS HD3 H 1 1.693 0.030 . 2 . . . . 60 LYS HD3 . 11162 1 657 . 1 1 60 60 LYS HE2 H 1 3.034 0.030 . 1 . . . . 60 LYS HE2 . 11162 1 658 . 1 1 60 60 LYS HE3 H 1 3.034 0.030 . 1 . . . . 60 LYS HE3 . 11162 1 659 . 1 1 60 60 LYS HG2 H 1 1.485 0.030 . 2 . . . . 60 LYS HG2 . 11162 1 660 . 1 1 60 60 LYS HG3 H 1 1.628 0.030 . 2 . . . . 60 LYS HG3 . 11162 1 661 . 1 1 60 60 LYS C C 13 177.550 0.300 . 1 . . . . 60 LYS C . 11162 1 662 . 1 1 60 60 LYS CA C 13 57.486 0.300 . 1 . . . . 60 LYS CA . 11162 1 663 . 1 1 60 60 LYS CB C 13 33.182 0.300 . 1 . . . . 60 LYS CB . 11162 1 664 . 1 1 60 60 LYS CD C 13 29.328 0.300 . 1 . . . . 60 LYS CD . 11162 1 665 . 1 1 60 60 LYS CE C 13 42.396 0.300 . 1 . . . . 60 LYS CE . 11162 1 666 . 1 1 60 60 LYS CG C 13 25.967 0.300 . 1 . . . . 60 LYS CG . 11162 1 667 . 1 1 60 60 LYS N N 15 120.640 0.300 . 1 . . . . 60 LYS N . 11162 1 668 . 1 1 61 61 SER H H 1 8.657 0.030 . 1 . . . . 61 SER H . 11162 1 669 . 1 1 61 61 SER HA H 1 4.523 0.030 . 1 . . . . 61 SER HA . 11162 1 670 . 1 1 61 61 SER HB2 H 1 4.035 0.030 . 2 . . . . 61 SER HB2 . 11162 1 671 . 1 1 61 61 SER HB3 H 1 3.903 0.030 . 2 . . . . 61 SER HB3 . 11162 1 672 . 1 1 61 61 SER C C 13 175.328 0.300 . 1 . . . . 61 SER C . 11162 1 673 . 1 1 61 61 SER CA C 13 58.572 0.300 . 1 . . . . 61 SER CA . 11162 1 674 . 1 1 61 61 SER CB C 13 63.936 0.300 . 1 . . . . 61 SER CB . 11162 1 675 . 1 1 62 62 LEU H H 1 8.358 0.030 . 1 . . . . 62 LEU H . 11162 1 676 . 1 1 62 62 LEU HA H 1 4.373 0.030 . 1 . . . . 62 LEU HA . 11162 1 677 . 1 1 62 62 LEU HB2 H 1 1.702 0.030 . 2 . . . . 62 LEU HB2 . 11162 1 678 . 1 1 62 62 LEU HB3 H 1 1.702 0.030 . 2 . . . . 62 LEU HB3 . 11162 1 679 . 1 1 62 62 LEU HD11 H 1 0.942 0.030 . 1 . . . . 62 LEU HD1 . 11162 1 680 . 1 1 62 62 LEU HD12 H 1 0.942 0.030 . 1 . . . . 62 LEU HD1 . 11162 1 681 . 1 1 62 62 LEU HD13 H 1 0.942 0.030 . 1 . . . . 62 LEU HD1 . 11162 1 682 . 1 1 62 62 LEU HD21 H 1 0.938 0.030 . 1 . . . . 62 LEU HD2 . 11162 1 683 . 1 1 62 62 LEU HD22 H 1 0.938 0.030 . 1 . . . . 62 LEU HD2 . 11162 1 684 . 1 1 62 62 LEU HD23 H 1 0.938 0.030 . 1 . . . . 62 LEU HD2 . 11162 1 685 . 1 1 62 62 LEU HG H 1 1.665 0.030 . 1 . . . . 62 LEU HG . 11162 1 686 . 1 1 62 62 LEU C C 13 177.828 0.300 . 1 . . . . 62 LEU C . 11162 1 687 . 1 1 62 62 LEU CA C 13 56.378 0.300 . 1 . . . . 62 LEU CA . 11162 1 688 . 1 1 62 62 LEU CB C 13 41.815 0.300 . 1 . . . . 62 LEU CB . 11162 1 689 . 1 1 62 62 LEU CD1 C 13 25.510 0.300 . 2 . . . . 62 LEU CD1 . 11162 1 690 . 1 1 62 62 LEU CD2 C 13 24.409 0.300 . 2 . . . . 62 LEU CD2 . 11162 1 691 . 1 1 62 62 LEU CG C 13 28.351 0.300 . 1 . . . . 62 LEU CG . 11162 1 692 . 1 1 62 62 LEU N N 15 124.955 0.300 . 1 . . . . 62 LEU N . 11162 1 693 . 1 1 63 63 THR H H 1 8.126 0.030 . 1 . . . . 63 THR H . 11162 1 694 . 1 1 63 63 THR HA H 1 4.368 0.030 . 1 . . . . 63 THR HA . 11162 1 695 . 1 1 63 63 THR HB H 1 4.243 0.030 . 1 . . . . 63 THR HB . 11162 1 696 . 1 1 63 63 THR HG21 H 1 1.219 0.030 . 1 . . . . 63 THR HG2 . 11162 1 697 . 1 1 63 63 THR HG22 H 1 1.219 0.030 . 1 . . . . 63 THR HG2 . 11162 1 698 . 1 1 63 63 THR HG23 H 1 1.219 0.030 . 1 . . . . 63 THR HG2 . 11162 1 699 . 1 1 63 63 THR C C 13 175.451 0.300 . 1 . . . . 63 THR C . 11162 1 700 . 1 1 63 63 THR CA C 13 61.980 0.300 . 1 . . . . 63 THR CA . 11162 1 701 . 1 1 63 63 THR CB C 13 69.852 0.300 . 1 . . . . 63 THR CB . 11162 1 702 . 1 1 63 63 THR CG2 C 13 21.461 0.300 . 1 . . . . 63 THR CG2 . 11162 1 703 . 1 1 63 63 THR N N 15 112.062 0.300 . 1 . . . . 63 THR N . 11162 1 704 . 1 1 64 64 GLY H H 1 8.379 0.030 . 1 . . . . 64 GLY H . 11162 1 705 . 1 1 64 64 GLY HA2 H 1 3.991 0.030 . 2 . . . . 64 GLY HA2 . 11162 1 706 . 1 1 64 64 GLY HA3 H 1 3.958 0.030 . 2 . . . . 64 GLY HA3 . 11162 1 707 . 1 1 64 64 GLY C C 13 174.224 0.300 . 1 . . . . 64 GLY C . 11162 1 708 . 1 1 64 64 GLY CA C 13 45.510 0.300 . 1 . . . . 64 GLY CA . 11162 1 709 . 1 1 64 64 GLY N N 15 110.995 0.300 . 1 . . . . 64 GLY N . 11162 1 710 . 1 1 65 65 GLN H H 1 8.235 0.030 . 1 . . . . 65 GLN H . 11162 1 711 . 1 1 65 65 GLN HA H 1 4.354 0.030 . 1 . . . . 65 GLN HA . 11162 1 712 . 1 1 65 65 GLN HB2 H 1 2.117 0.030 . 2 . . . . 65 GLN HB2 . 11162 1 713 . 1 1 65 65 GLN HB3 H 1 1.965 0.030 . 2 . . . . 65 GLN HB3 . 11162 1 714 . 1 1 65 65 GLN HE21 H 1 6.859 0.030 . 2 . . . . 65 GLN HE21 . 11162 1 715 . 1 1 65 65 GLN HE22 H 1 7.530 0.030 . 2 . . . . 65 GLN HE22 . 11162 1 716 . 1 1 65 65 GLN HG2 H 1 2.337 0.030 . 1 . . . . 65 GLN HG2 . 11162 1 717 . 1 1 65 65 GLN HG3 H 1 2.337 0.030 . 1 . . . . 65 GLN HG3 . 11162 1 718 . 1 1 65 65 GLN C C 13 175.832 0.300 . 1 . . . . 65 GLN C . 11162 1 719 . 1 1 65 65 GLN CA C 13 55.740 0.300 . 1 . . . . 65 GLN CA . 11162 1 720 . 1 1 65 65 GLN CB C 13 29.528 0.300 . 1 . . . . 65 GLN CB . 11162 1 721 . 1 1 65 65 GLN CG C 13 33.794 0.300 . 1 . . . . 65 GLN CG . 11162 1 722 . 1 1 65 65 GLN N N 15 119.415 0.300 . 1 . . . . 65 GLN N . 11162 1 723 . 1 1 65 65 GLN NE2 N 15 112.630 0.300 . 1 . . . . 65 GLN NE2 . 11162 1 724 . 1 1 66 66 ASN H H 1 8.606 0.030 . 1 . . . . 66 ASN H . 11162 1 725 . 1 1 66 66 ASN HA H 1 4.786 0.030 . 1 . . . . 66 ASN HA . 11162 1 726 . 1 1 66 66 ASN HB2 H 1 2.877 0.030 . 2 . . . . 66 ASN HB2 . 11162 1 727 . 1 1 66 66 ASN HB3 H 1 2.784 0.030 . 2 . . . . 66 ASN HB3 . 11162 1 728 . 1 1 66 66 ASN HD21 H 1 7.628 0.030 . 2 . . . . 66 ASN HD21 . 11162 1 729 . 1 1 66 66 ASN HD22 H 1 6.955 0.030 . 2 . . . . 66 ASN HD22 . 11162 1 730 . 1 1 66 66 ASN C C 13 175.435 0.300 . 1 . . . . 66 ASN C . 11162 1 731 . 1 1 66 66 ASN CA C 13 53.408 0.300 . 1 . . . . 66 ASN CA . 11162 1 732 . 1 1 66 66 ASN CB C 13 38.874 0.300 . 1 . . . . 66 ASN CB . 11162 1 733 . 1 1 66 66 ASN N N 15 120.094 0.300 . 1 . . . . 66 ASN N . 11162 1 734 . 1 1 66 66 ASN ND2 N 15 113.004 0.300 . 1 . . . . 66 ASN ND2 . 11162 1 735 . 1 1 67 67 THR H H 1 8.180 0.030 . 1 . . . . 67 THR H . 11162 1 736 . 1 1 67 67 THR HA H 1 4.315 0.030 . 1 . . . . 67 THR HA . 11162 1 737 . 1 1 67 67 THR HB H 1 4.265 0.030 . 1 . . . . 67 THR HB . 11162 1 738 . 1 1 67 67 THR HG21 H 1 1.220 0.030 . 1 . . . . 67 THR HG2 . 11162 1 739 . 1 1 67 67 THR HG22 H 1 1.220 0.030 . 1 . . . . 67 THR HG2 . 11162 1 740 . 1 1 67 67 THR HG23 H 1 1.220 0.030 . 1 . . . . 67 THR HG2 . 11162 1 741 . 1 1 67 67 THR C C 13 174.421 0.300 . 1 . . . . 67 THR C . 11162 1 742 . 1 1 67 67 THR CA C 13 61.909 0.300 . 1 . . . . 67 THR CA . 11162 1 743 . 1 1 67 67 THR CB C 13 69.931 0.300 . 1 . . . . 67 THR CB . 11162 1 744 . 1 1 67 67 THR CG2 C 13 21.608 0.300 . 1 . . . . 67 THR CG2 . 11162 1 745 . 1 1 67 67 THR N N 15 114.351 0.300 . 1 . . . . 67 THR N . 11162 1 746 . 1 1 68 68 ALA H H 1 8.356 0.030 . 1 . . . . 68 ALA H . 11162 1 747 . 1 1 68 68 ALA HA H 1 4.402 0.030 . 1 . . . . 68 ALA HA . 11162 1 748 . 1 1 68 68 ALA HB1 H 1 1.413 0.030 . 1 . . . . 68 ALA HB . 11162 1 749 . 1 1 68 68 ALA HB2 H 1 1.413 0.030 . 1 . . . . 68 ALA HB . 11162 1 750 . 1 1 68 68 ALA HB3 H 1 1.413 0.030 . 1 . . . . 68 ALA HB . 11162 1 751 . 1 1 68 68 ALA C C 13 177.824 0.300 . 1 . . . . 68 ALA C . 11162 1 752 . 1 1 68 68 ALA CA C 13 52.677 0.300 . 1 . . . . 68 ALA CA . 11162 1 753 . 1 1 68 68 ALA CB C 13 19.318 0.300 . 1 . . . . 68 ALA CB . 11162 1 754 . 1 1 68 68 ALA N N 15 126.309 0.300 . 1 . . . . 68 ALA N . 11162 1 755 . 1 1 69 69 THR H H 1 8.092 0.030 . 1 . . . . 69 THR H . 11162 1 756 . 1 1 69 69 THR HA H 1 4.367 0.030 . 1 . . . . 69 THR HA . 11162 1 757 . 1 1 69 69 THR HB H 1 4.250 0.030 . 1 . . . . 69 THR HB . 11162 1 758 . 1 1 69 69 THR HG21 H 1 1.172 0.030 . 1 . . . . 69 THR HG2 . 11162 1 759 . 1 1 69 69 THR HG22 H 1 1.172 0.030 . 1 . . . . 69 THR HG2 . 11162 1 760 . 1 1 69 69 THR HG23 H 1 1.172 0.030 . 1 . . . . 69 THR HG2 . 11162 1 761 . 1 1 69 69 THR C C 13 174.134 0.300 . 1 . . . . 69 THR C . 11162 1 762 . 1 1 69 69 THR CA C 13 61.975 0.300 . 1 . . . . 69 THR CA . 11162 1 763 . 1 1 69 69 THR CB C 13 69.931 0.300 . 1 . . . . 69 THR CB . 11162 1 764 . 1 1 69 69 THR CG2 C 13 21.624 0.300 . 1 . . . . 69 THR CG2 . 11162 1 765 . 1 1 69 69 THR N N 15 113.080 0.300 . 1 . . . . 69 THR N . 11162 1 766 . 1 1 70 70 ASN H H 1 8.394 0.030 . 1 . . . . 70 ASN H . 11162 1 767 . 1 1 70 70 ASN HA H 1 4.998 0.030 . 1 . . . . 70 ASN HA . 11162 1 768 . 1 1 70 70 ASN HB2 H 1 2.741 0.030 . 2 . . . . 70 ASN HB2 . 11162 1 769 . 1 1 70 70 ASN HB3 H 1 2.632 0.030 . 2 . . . . 70 ASN HB3 . 11162 1 770 . 1 1 70 70 ASN HD21 H 1 7.598 0.030 . 2 . . . . 70 ASN HD21 . 11162 1 771 . 1 1 70 70 ASN HD22 H 1 6.927 0.030 . 2 . . . . 70 ASN HD22 . 11162 1 772 . 1 1 70 70 ASN C C 13 172.417 0.300 . 1 . . . . 70 ASN C . 11162 1 773 . 1 1 70 70 ASN CA C 13 51.487 0.300 . 1 . . . . 70 ASN CA . 11162 1 774 . 1 1 70 70 ASN CB C 13 38.776 0.300 . 1 . . . . 70 ASN CB . 11162 1 775 . 1 1 70 70 ASN N N 15 121.948 0.300 . 1 . . . . 70 ASN N . 11162 1 776 . 1 1 70 70 ASN ND2 N 15 113.412 0.300 . 1 . . . . 70 ASN ND2 . 11162 1 777 . 1 1 71 71 PRO HA H 1 4.695 0.030 . 1 . . . . 71 PRO HA . 11162 1 778 . 1 1 71 71 PRO HB2 H 1 2.343 0.030 . 2 . . . . 71 PRO HB2 . 11162 1 779 . 1 1 71 71 PRO HB3 H 1 1.915 0.030 . 2 . . . . 71 PRO HB3 . 11162 1 780 . 1 1 71 71 PRO HD2 H 1 3.809 0.030 . 2 . . . . 71 PRO HD2 . 11162 1 781 . 1 1 71 71 PRO HD3 H 1 3.632 0.030 . 2 . . . . 71 PRO HD3 . 11162 1 782 . 1 1 71 71 PRO HG2 H 1 2.032 0.030 . 1 . . . . 71 PRO HG2 . 11162 1 783 . 1 1 71 71 PRO HG3 H 1 2.032 0.030 . 1 . . . . 71 PRO HG3 . 11162 1 784 . 1 1 71 71 PRO CA C 13 61.591 0.300 . 1 . . . . 71 PRO CA . 11162 1 785 . 1 1 71 71 PRO CB C 13 30.829 0.300 . 1 . . . . 71 PRO CB . 11162 1 786 . 1 1 71 71 PRO CD C 13 50.543 0.300 . 1 . . . . 71 PRO CD . 11162 1 787 . 1 1 71 71 PRO CG C 13 27.356 0.300 . 1 . . . . 71 PRO CG . 11162 1 788 . 1 1 72 72 PRO HA H 1 4.423 0.030 . 1 . . . . 72 PRO HA . 11162 1 789 . 1 1 72 72 PRO HB2 H 1 1.940 0.030 . 2 . . . . 72 PRO HB2 . 11162 1 790 . 1 1 72 72 PRO HB3 H 1 2.283 0.030 . 2 . . . . 72 PRO HB3 . 11162 1 791 . 1 1 72 72 PRO HD2 H 1 3.667 0.030 . 2 . . . . 72 PRO HD2 . 11162 1 792 . 1 1 72 72 PRO HD3 H 1 3.798 0.030 . 2 . . . . 72 PRO HD3 . 11162 1 793 . 1 1 72 72 PRO HG2 H 1 2.034 0.030 . 1 . . . . 72 PRO HG2 . 11162 1 794 . 1 1 72 72 PRO HG3 H 1 2.034 0.030 . 1 . . . . 72 PRO HG3 . 11162 1 795 . 1 1 72 72 PRO C C 13 177.547 0.300 . 1 . . . . 72 PRO C . 11162 1 796 . 1 1 72 72 PRO CA C 13 63.293 0.300 . 1 . . . . 72 PRO CA . 11162 1 797 . 1 1 72 72 PRO CB C 13 32.032 0.300 . 1 . . . . 72 PRO CB . 11162 1 798 . 1 1 72 72 PRO CD C 13 50.521 0.300 . 1 . . . . 72 PRO CD . 11162 1 799 . 1 1 72 72 PRO CG C 13 27.347 0.300 . 1 . . . . 72 PRO CG . 11162 1 800 . 1 1 73 73 GLY H H 1 8.406 0.030 . 1 . . . . 73 GLY H . 11162 1 801 . 1 1 73 73 GLY HA2 H 1 3.976 0.030 . 2 . . . . 73 GLY HA2 . 11162 1 802 . 1 1 73 73 GLY HA3 H 1 3.903 0.030 . 2 . . . . 73 GLY HA3 . 11162 1 803 . 1 1 73 73 GLY C C 13 174.196 0.300 . 1 . . . . 73 GLY C . 11162 1 804 . 1 1 73 73 GLY CA C 13 45.231 0.300 . 1 . . . . 73 GLY CA . 11162 1 805 . 1 1 73 73 GLY N N 15 108.577 0.300 . 1 . . . . 73 GLY N . 11162 1 806 . 1 1 74 74 LEU H H 1 8.138 0.030 . 1 . . . . 74 LEU H . 11162 1 807 . 1 1 74 74 LEU HA H 1 4.436 0.030 . 1 . . . . 74 LEU HA . 11162 1 808 . 1 1 74 74 LEU HB2 H 1 1.626 0.030 . 2 . . . . 74 LEU HB2 . 11162 1 809 . 1 1 74 74 LEU HB3 H 1 1.626 0.030 . 2 . . . . 74 LEU HB3 . 11162 1 810 . 1 1 74 74 LEU HD11 H 1 0.913 0.030 . 1 . . . . 74 LEU HD1 . 11162 1 811 . 1 1 74 74 LEU HD12 H 1 0.913 0.030 . 1 . . . . 74 LEU HD1 . 11162 1 812 . 1 1 74 74 LEU HD13 H 1 0.913 0.030 . 1 . . . . 74 LEU HD1 . 11162 1 813 . 1 1 74 74 LEU HD21 H 1 0.870 0.030 . 1 . . . . 74 LEU HD2 . 11162 1 814 . 1 1 74 74 LEU HD22 H 1 0.870 0.030 . 1 . . . . 74 LEU HD2 . 11162 1 815 . 1 1 74 74 LEU HD23 H 1 0.870 0.030 . 1 . . . . 74 LEU HD2 . 11162 1 816 . 1 1 74 74 LEU HG H 1 1.505 0.030 . 1 . . . . 74 LEU HG . 11162 1 817 . 1 1 74 74 LEU C C 13 177.743 0.300 . 1 . . . . 74 LEU C . 11162 1 818 . 1 1 74 74 LEU CA C 13 55.274 0.300 . 1 . . . . 74 LEU CA . 11162 1 819 . 1 1 74 74 LEU CB C 13 42.637 0.300 . 1 . . . . 74 LEU CB . 11162 1 820 . 1 1 74 74 LEU CD1 C 13 24.939 0.300 . 2 . . . . 74 LEU CD1 . 11162 1 821 . 1 1 74 74 LEU CD2 C 13 23.525 0.300 . 2 . . . . 74 LEU CD2 . 11162 1 822 . 1 1 74 74 LEU CG C 13 26.893 0.300 . 1 . . . . 74 LEU CG . 11162 1 823 . 1 1 74 74 LEU N N 15 121.752 0.300 . 1 . . . . 74 LEU N . 11162 1 824 . 1 1 75 75 THR H H 1 8.177 0.030 . 1 . . . . 75 THR H . 11162 1 825 . 1 1 75 75 THR HA H 1 4.367 0.030 . 1 . . . . 75 THR HA . 11162 1 826 . 1 1 75 75 THR HB H 1 4.267 0.030 . 1 . . . . 75 THR HB . 11162 1 827 . 1 1 75 75 THR HG21 H 1 1.177 0.030 . 1 . . . . 75 THR HG2 . 11162 1 828 . 1 1 75 75 THR HG22 H 1 1.177 0.030 . 1 . . . . 75 THR HG2 . 11162 1 829 . 1 1 75 75 THR HG23 H 1 1.177 0.030 . 1 . . . . 75 THR HG2 . 11162 1 830 . 1 1 75 75 THR C C 13 175.064 0.300 . 1 . . . . 75 THR C . 11162 1 831 . 1 1 75 75 THR CA C 13 61.919 0.300 . 1 . . . . 75 THR CA . 11162 1 832 . 1 1 75 75 THR CB C 13 69.745 0.300 . 1 . . . . 75 THR CB . 11162 1 833 . 1 1 75 75 THR CG2 C 13 21.619 0.300 . 1 . . . . 75 THR CG2 . 11162 1 834 . 1 1 75 75 THR N N 15 114.334 0.300 . 1 . . . . 75 THR N . 11162 1 835 . 1 1 76 76 GLY H H 1 8.405 0.030 . 1 . . . . 76 GLY H . 11162 1 836 . 1 1 76 76 GLY HA2 H 1 3.995 0.030 . 1 . . . . 76 GLY HA2 . 11162 1 837 . 1 1 76 76 GLY HA3 H 1 3.995 0.030 . 1 . . . . 76 GLY HA3 . 11162 1 838 . 1 1 76 76 GLY C C 13 174.009 0.300 . 1 . . . . 76 GLY C . 11162 1 839 . 1 1 76 76 GLY CA C 13 45.522 0.300 . 1 . . . . 76 GLY CA . 11162 1 840 . 1 1 76 76 GLY N N 15 111.327 0.300 . 1 . . . . 76 GLY N . 11162 1 841 . 1 1 77 77 VAL H H 1 7.971 0.030 . 1 . . . . 77 VAL H . 11162 1 842 . 1 1 77 77 VAL HA H 1 4.213 0.030 . 1 . . . . 77 VAL HA . 11162 1 843 . 1 1 77 77 VAL HB H 1 2.129 0.030 . 1 . . . . 77 VAL HB . 11162 1 844 . 1 1 77 77 VAL HG11 H 1 0.944 0.030 . 1 . . . . 77 VAL HG1 . 11162 1 845 . 1 1 77 77 VAL HG12 H 1 0.944 0.030 . 1 . . . . 77 VAL HG1 . 11162 1 846 . 1 1 77 77 VAL HG13 H 1 0.944 0.030 . 1 . . . . 77 VAL HG1 . 11162 1 847 . 1 1 77 77 VAL HG21 H 1 0.893 0.030 . 1 . . . . 77 VAL HG2 . 11162 1 848 . 1 1 77 77 VAL HG22 H 1 0.893 0.030 . 1 . . . . 77 VAL HG2 . 11162 1 849 . 1 1 77 77 VAL HG23 H 1 0.893 0.030 . 1 . . . . 77 VAL HG2 . 11162 1 850 . 1 1 77 77 VAL C C 13 175.726 0.300 . 1 . . . . 77 VAL C . 11162 1 851 . 1 1 77 77 VAL CA C 13 62.040 0.300 . 1 . . . . 77 VAL CA . 11162 1 852 . 1 1 77 77 VAL CB C 13 32.962 0.300 . 1 . . . . 77 VAL CB . 11162 1 853 . 1 1 77 77 VAL CG1 C 13 21.199 0.300 . 2 . . . . 77 VAL CG1 . 11162 1 854 . 1 1 77 77 VAL CG2 C 13 20.031 0.300 . 2 . . . . 77 VAL CG2 . 11162 1 855 . 1 1 77 77 VAL N N 15 118.524 0.300 . 1 . . . . 77 VAL N . 11162 1 856 . 1 1 78 78 GLY H H 1 8.094 0.030 . 1 . . . . 78 GLY H . 11162 1 857 . 1 1 78 78 GLY HA2 H 1 3.726 0.030 . 2 . . . . 78 GLY HA2 . 11162 1 858 . 1 1 78 78 GLY HA3 H 1 3.764 0.030 . 2 . . . . 78 GLY HA3 . 11162 1 859 . 1 1 78 78 GLY C C 13 178.981 0.300 . 1 . . . . 78 GLY C . 11162 1 860 . 1 1 78 78 GLY CA C 13 46.100 0.300 . 1 . . . . 78 GLY CA . 11162 1 861 . 1 1 78 78 GLY N N 15 118.676 0.300 . 1 . . . . 78 GLY N . 11162 1 stop_ save_