data_11161 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11161 _Entry.Title ; Solution structure of the Zinc finger, C3HC4 type (RING finger) domain Tripartite motif protein 30 ; _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 . . . 11161 2 K. Miyamoto . . . 11161 3 N. Tochio . . . 11161 4 M. Yoneyama . . . 11161 5 T. Kigawa . . . 11161 6 S. Yokoyama . . . 11161 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)' . 11161 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11161 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 347 11161 '15N chemical shifts' 81 11161 '1H chemical shifts' 553 11161 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 . 11161 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2ECW 'BMRB Entry Tracking System' 11161 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11161 _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 Tripartite motif protein 30 ; _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 . . . 11161 1 2 K. Miyamoto . . . 11161 1 3 N. Tochio . . . 11161 1 4 M. Yoneyama . . . 11161 1 5 T. Kigawa . . . 11161 1 6 S. Yokoyama . . . 11161 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11161 _Assembly.ID 1 _Assembly.Name 'Tripartite motif-containing protein 30' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'RING-type, residues 6-85' 1 $entity_1 A . yes native no no . . . 11161 1 2 'ZINC ION no.1' 2 $ZN B . no native no no . . . 11161 1 3 'ZINC ION no.2' 2 $ZN C . no native no no . . . 11161 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 'RING-type, residues 6-85' 1 CYS 22 22 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 22 CYS SG . . . . ZN 11161 1 2 coordination single . 1 'RING-type, residues 6-85' 1 CYS 25 25 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 25 CYS SG . . . . ZN 11161 1 3 coordination single . 1 'RING-type, residues 6-85' 1 CYS 37 37 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 37 CYS SG . . . . ZN 11161 1 4 coordination single . 1 'RING-type, residues 6-85' 1 HIS 39 39 ND1 . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 39 HIS ND1 . . . . ZN 11161 1 5 coordination single . 1 'RING-type, residues 6-85' 1 CYS 42 42 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 42 CYS SG . . . . ZN 11161 1 6 coordination single . 1 'RING-type, residues 6-85' 1 CYS 45 45 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 45 CYS SG . . . . ZN 11161 1 7 coordination single . 1 'RING-type, residues 6-85' 1 CYS 62 62 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 62 CYS SG . . . . ZN 11161 1 8 coordination single . 1 'RING-type, residues 6-85' 1 CYS 65 65 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 65 CYS SG . . . . ZN 11161 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 62 62 HG . 62 CYS HG 11161 1 . . 1 1 CYS 65 65 HG . 65 CYS HG 11161 1 . . 1 1 CYS 42 42 HG . 42 CYS HG 11161 1 . . 1 1 CYS 45 45 HG . 45 CYS HG 11161 1 . . 1 1 CYS 37 37 HG . 37 CYS HG 11161 1 . . 1 1 HIS 39 39 HD1 . 39 HIS HD1 11161 1 . . 1 1 CYS 22 22 HG . 22 CYS HG 11161 1 . . 1 1 CYS 25 25 HG . 25 CYS HG 11161 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 2ecw . . . . . . 11161 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11161 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'RING-type, residues 6-85' _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 ; GSSGSSGMASSVLEMIKEEV TCPICLELLKEPVSADCNHS FCRACITLNYESNRNTDGKG NCPVCRVPYPFGNLKPNLHV ANIVE ; _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 85 _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 2ECW . "Solution Structure Of The Zinc Finger, C3hc4 Type (Ring Finger) Domain Tripartite Motif Protein 30" . . . . . 100.00 85 100.00 100.00 1.00e-53 . . . . 11161 1 2 no DBJ BAE22032 . "unnamed protein product [Mus musculus]" . . . . . 91.76 270 98.72 100.00 1.48e-48 . . . . 11161 1 3 no DBJ BAE23387 . "unnamed protein product [Mus musculus]" . . . . . 91.76 496 98.72 100.00 7.86e-48 . . . . 11161 1 4 no DBJ BAE23595 . "unnamed protein product [Mus musculus]" . . . . . 91.76 263 98.72 100.00 6.82e-48 . . . . 11161 1 5 no GB AAA40073 . "rpt-1r [Mus musculus]" . . . . . 91.76 353 98.72 100.00 1.66e-50 . . . . 11161 1 6 no GB AAG53468 . "tripartite motif protein TRIM30 isoform alpha [Mus musculus]" . . . . . 91.76 496 98.72 100.00 7.86e-48 . . . . 11161 1 7 no GB AAG53469 . "tripartite motif protein TRIM30 isoform beta [Mus musculus]" . . . . . 91.76 151 98.72 100.00 1.43e-48 . . . . 11161 1 8 no GB AAH05447 . "Tripartite motif-containing 30 [Mus musculus]" . . . . . 91.76 496 100.00 100.00 1.08e-47 . . . . 11161 1 9 no GB EDL16723 . "mCG8601, isoform CRA_a [Mus musculus]" . . . . . 91.76 162 98.72 100.00 1.98e-48 . . . . 11161 1 10 no REF NP_033125 . "tripartite motif-containing protein 30A [Mus musculus]" . . . . . 91.76 496 98.72 100.00 7.86e-48 . . . . 11161 1 11 no REF XP_006507534 . "PREDICTED: tripartite motif-containing protein 30A isoform X1 [Mus musculus]" . . . . . 91.76 496 98.72 100.00 7.86e-48 . . . . 11161 1 12 no SP P15533 . "RecName: Full=Tripartite motif-containing protein 30A; AltName: Full=Down regulatory protein of interleukin-2 receptor; AltName" . . . . . 91.76 496 98.72 100.00 7.86e-48 . . . . 11161 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RING-type, residues 6-85' . 11161 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 . 11161 1 2 . SER . 11161 1 3 . SER . 11161 1 4 . GLY . 11161 1 5 . SER . 11161 1 6 . SER . 11161 1 7 . GLY . 11161 1 8 . MET . 11161 1 9 . ALA . 11161 1 10 . SER . 11161 1 11 . SER . 11161 1 12 . VAL . 11161 1 13 . LEU . 11161 1 14 . GLU . 11161 1 15 . MET . 11161 1 16 . ILE . 11161 1 17 . LYS . 11161 1 18 . GLU . 11161 1 19 . GLU . 11161 1 20 . VAL . 11161 1 21 . THR . 11161 1 22 . CYS . 11161 1 23 . PRO . 11161 1 24 . ILE . 11161 1 25 . CYS . 11161 1 26 . LEU . 11161 1 27 . GLU . 11161 1 28 . LEU . 11161 1 29 . LEU . 11161 1 30 . LYS . 11161 1 31 . GLU . 11161 1 32 . PRO . 11161 1 33 . VAL . 11161 1 34 . SER . 11161 1 35 . ALA . 11161 1 36 . ASP . 11161 1 37 . CYS . 11161 1 38 . ASN . 11161 1 39 . HIS . 11161 1 40 . SER . 11161 1 41 . PHE . 11161 1 42 . CYS . 11161 1 43 . ARG . 11161 1 44 . ALA . 11161 1 45 . CYS . 11161 1 46 . ILE . 11161 1 47 . THR . 11161 1 48 . LEU . 11161 1 49 . ASN . 11161 1 50 . TYR . 11161 1 51 . GLU . 11161 1 52 . SER . 11161 1 53 . ASN . 11161 1 54 . ARG . 11161 1 55 . ASN . 11161 1 56 . THR . 11161 1 57 . ASP . 11161 1 58 . GLY . 11161 1 59 . LYS . 11161 1 60 . GLY . 11161 1 61 . ASN . 11161 1 62 . CYS . 11161 1 63 . PRO . 11161 1 64 . VAL . 11161 1 65 . CYS . 11161 1 66 . ARG . 11161 1 67 . VAL . 11161 1 68 . PRO . 11161 1 69 . TYR . 11161 1 70 . PRO . 11161 1 71 . PHE . 11161 1 72 . GLY . 11161 1 73 . ASN . 11161 1 74 . LEU . 11161 1 75 . LYS . 11161 1 76 . PRO . 11161 1 77 . ASN . 11161 1 78 . LEU . 11161 1 79 . HIS . 11161 1 80 . VAL . 11161 1 81 . ALA . 11161 1 82 . ASN . 11161 1 83 . ILE . 11161 1 84 . VAL . 11161 1 85 . GLU . 11161 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 11161 1 . SER 2 2 11161 1 . SER 3 3 11161 1 . GLY 4 4 11161 1 . SER 5 5 11161 1 . SER 6 6 11161 1 . GLY 7 7 11161 1 . MET 8 8 11161 1 . ALA 9 9 11161 1 . SER 10 10 11161 1 . SER 11 11 11161 1 . VAL 12 12 11161 1 . LEU 13 13 11161 1 . GLU 14 14 11161 1 . MET 15 15 11161 1 . ILE 16 16 11161 1 . LYS 17 17 11161 1 . GLU 18 18 11161 1 . GLU 19 19 11161 1 . VAL 20 20 11161 1 . THR 21 21 11161 1 . CYS 22 22 11161 1 . PRO 23 23 11161 1 . ILE 24 24 11161 1 . CYS 25 25 11161 1 . LEU 26 26 11161 1 . GLU 27 27 11161 1 . LEU 28 28 11161 1 . LEU 29 29 11161 1 . LYS 30 30 11161 1 . GLU 31 31 11161 1 . PRO 32 32 11161 1 . VAL 33 33 11161 1 . SER 34 34 11161 1 . ALA 35 35 11161 1 . ASP 36 36 11161 1 . CYS 37 37 11161 1 . ASN 38 38 11161 1 . HIS 39 39 11161 1 . SER 40 40 11161 1 . PHE 41 41 11161 1 . CYS 42 42 11161 1 . ARG 43 43 11161 1 . ALA 44 44 11161 1 . CYS 45 45 11161 1 . ILE 46 46 11161 1 . THR 47 47 11161 1 . LEU 48 48 11161 1 . ASN 49 49 11161 1 . TYR 50 50 11161 1 . GLU 51 51 11161 1 . SER 52 52 11161 1 . ASN 53 53 11161 1 . ARG 54 54 11161 1 . ASN 55 55 11161 1 . THR 56 56 11161 1 . ASP 57 57 11161 1 . GLY 58 58 11161 1 . LYS 59 59 11161 1 . GLY 60 60 11161 1 . ASN 61 61 11161 1 . CYS 62 62 11161 1 . PRO 63 63 11161 1 . VAL 64 64 11161 1 . CYS 65 65 11161 1 . ARG 66 66 11161 1 . VAL 67 67 11161 1 . PRO 68 68 11161 1 . TYR 69 69 11161 1 . PRO 70 70 11161 1 . PHE 71 71 11161 1 . GLY 72 72 11161 1 . ASN 73 73 11161 1 . LEU 74 74 11161 1 . LYS 75 75 11161 1 . PRO 76 76 11161 1 . ASN 77 77 11161 1 . LEU 78 78 11161 1 . HIS 79 79 11161 1 . VAL 80 80 11161 1 . ALA 81 81 11161 1 . ASN 82 82 11161 1 . ILE 83 83 11161 1 . VAL 84 84 11161 1 . GLU 85 85 11161 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11161 _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 . 11161 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 11161 _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 . . . . . . . . . . . . . . . . . . . . . 11161 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 11161 _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 . . . . . . . . . . . . . . . . P060417-23 . . . . . . 11161 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 11161 _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 11161 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11161 ZN [Zn++] SMILES CACTVS 3.341 11161 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11161 ZN [Zn+2] SMILES ACDLabs 10.04 11161 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11161 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11161 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 11161 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11161 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 . . 11161 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11161 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.13mM {Protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 50uM Zncl2+1mM {IDA;} 10% D2O, 90% H2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RING-type, residues 6-85' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.13 . . mM . . . . 11161 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11161 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11161 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11161 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11161 1 6 ZnCl2 'natural abundance' . . . . . salt 50 . . uM . . . . 11161 1 7 IDA 'natural abundance' . . . . . salt 1 . . mM . . . . 11161 1 8 H2O . . . . . . solvent 90 . . % . . . . 11161 1 9 D2O . . . . . . solvent 10 . . % . . . . 11161 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 11161 _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 11161 1 pH 7.0 0.05 pH 11161 1 pressure 1 0.001 atm 11161 1 temperature 296 0.1 K 11161 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11161 _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 . . 11161 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11161 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11161 _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.' . . 11161 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11161 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11161 _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.' . . 11161 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11161 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11161 _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.' . . 11161 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11161 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11161 _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.' . . 11161 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11161 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 11161 _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 11161 _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 . . . 11161 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 11161 _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 . . . . . . . . . . . . . . . . 11161 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11161 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 11161 _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 . . . . . . . . . 11161 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11161 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11161 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 11161 _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 11161 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11161 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 . . 11161 1 2 $NMRPipe . . 11161 1 3 $NMRView . . 11161 1 4 $Kujira . . 11161 1 5 $CYANA . . 11161 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 6 6 SER HA H 1 4.488 0.030 . 1 . . . . 6 SER HA . 11161 1 2 . 1 1 6 6 SER HB2 H 1 3.865 0.030 . 2 . . . . 6 SER HB2 . 11161 1 3 . 1 1 6 6 SER HB3 H 1 3.913 0.030 . 2 . . . . 6 SER HB3 . 11161 1 4 . 1 1 6 6 SER C C 13 175.111 0.300 . 1 . . . . 6 SER C . 11161 1 5 . 1 1 6 6 SER CA C 13 58.723 0.300 . 1 . . . . 6 SER CA . 11161 1 6 . 1 1 6 6 SER CB C 13 63.637 0.300 . 1 . . . . 6 SER CB . 11161 1 7 . 1 1 7 7 GLY H H 1 8.418 0.030 . 1 . . . . 7 GLY H . 11161 1 8 . 1 1 7 7 GLY HA2 H 1 3.975 0.030 . 2 . . . . 7 GLY HA2 . 11161 1 9 . 1 1 7 7 GLY HA3 H 1 4.032 0.030 . 2 . . . . 7 GLY HA3 . 11161 1 10 . 1 1 7 7 GLY C C 13 174.185 0.300 . 1 . . . . 7 GLY C . 11161 1 11 . 1 1 7 7 GLY CA C 13 45.414 0.300 . 1 . . . . 7 GLY CA . 11161 1 12 . 1 1 7 7 GLY N N 15 110.682 0.300 . 1 . . . . 7 GLY N . 11161 1 13 . 1 1 8 8 MET H H 1 8.160 0.030 . 1 . . . . 8 MET H . 11161 1 14 . 1 1 8 8 MET HA H 1 4.484 0.030 . 1 . . . . 8 MET HA . 11161 1 15 . 1 1 8 8 MET HB2 H 1 2.014 0.030 . 2 . . . . 8 MET HB2 . 11161 1 16 . 1 1 8 8 MET HB3 H 1 2.057 0.030 . 2 . . . . 8 MET HB3 . 11161 1 17 . 1 1 8 8 MET HE1 H 1 2.089 0.030 . 1 . . . . 8 MET HE . 11161 1 18 . 1 1 8 8 MET HE2 H 1 2.089 0.030 . 1 . . . . 8 MET HE . 11161 1 19 . 1 1 8 8 MET HE3 H 1 2.089 0.030 . 1 . . . . 8 MET HE . 11161 1 20 . 1 1 8 8 MET HG2 H 1 2.507 0.030 . 2 . . . . 8 MET HG2 . 11161 1 21 . 1 1 8 8 MET HG3 H 1 2.591 0.030 . 2 . . . . 8 MET HG3 . 11161 1 22 . 1 1 8 8 MET C C 13 176.129 0.300 . 1 . . . . 8 MET C . 11161 1 23 . 1 1 8 8 MET CA C 13 55.413 0.300 . 1 . . . . 8 MET CA . 11161 1 24 . 1 1 8 8 MET CB C 13 33.016 0.300 . 1 . . . . 8 MET CB . 11161 1 25 . 1 1 8 8 MET CE C 13 17.040 0.300 . 1 . . . . 8 MET CE . 11161 1 26 . 1 1 8 8 MET CG C 13 31.997 0.300 . 1 . . . . 8 MET CG . 11161 1 27 . 1 1 8 8 MET N N 15 119.909 0.300 . 1 . . . . 8 MET N . 11161 1 28 . 1 1 9 9 ALA H H 1 8.403 0.030 . 1 . . . . 9 ALA H . 11161 1 29 . 1 1 9 9 ALA HA H 1 4.340 0.030 . 1 . . . . 9 ALA HA . 11161 1 30 . 1 1 9 9 ALA HB1 H 1 1.417 0.030 . 1 . . . . 9 ALA HB . 11161 1 31 . 1 1 9 9 ALA HB2 H 1 1.417 0.030 . 1 . . . . 9 ALA HB . 11161 1 32 . 1 1 9 9 ALA HB3 H 1 1.417 0.030 . 1 . . . . 9 ALA HB . 11161 1 33 . 1 1 9 9 ALA C C 13 177.863 0.300 . 1 . . . . 9 ALA C . 11161 1 34 . 1 1 9 9 ALA CA C 13 52.706 0.300 . 1 . . . . 9 ALA CA . 11161 1 35 . 1 1 9 9 ALA CB C 13 19.191 0.300 . 1 . . . . 9 ALA CB . 11161 1 36 . 1 1 9 9 ALA N N 15 125.482 0.300 . 1 . . . . 9 ALA N . 11161 1 37 . 1 1 10 10 SER H H 1 8.312 0.030 . 1 . . . . 10 SER H . 11161 1 38 . 1 1 10 10 SER HA H 1 4.435 0.030 . 1 . . . . 10 SER HA . 11161 1 39 . 1 1 10 10 SER HB2 H 1 3.869 0.030 . 2 . . . . 10 SER HB2 . 11161 1 40 . 1 1 10 10 SER HB3 H 1 3.908 0.030 . 2 . . . . 10 SER HB3 . 11161 1 41 . 1 1 10 10 SER C C 13 174.760 0.300 . 1 . . . . 10 SER C . 11161 1 42 . 1 1 10 10 SER CA C 13 58.547 0.300 . 1 . . . . 10 SER CA . 11161 1 43 . 1 1 10 10 SER CB C 13 63.790 0.300 . 1 . . . . 10 SER CB . 11161 1 44 . 1 1 10 10 SER N N 15 115.079 0.300 . 1 . . . . 10 SER N . 11161 1 45 . 1 1 11 11 SER H H 1 8.312 0.030 . 1 . . . . 11 SER H . 11161 1 46 . 1 1 11 11 SER HA H 1 4.492 0.030 . 1 . . . . 11 SER HA . 11161 1 47 . 1 1 11 11 SER HB2 H 1 3.878 0.030 . 1 . . . . 11 SER HB2 . 11161 1 48 . 1 1 11 11 SER HB3 H 1 3.878 0.030 . 1 . . . . 11 SER HB3 . 11161 1 49 . 1 1 11 11 SER C C 13 174.768 0.300 . 1 . . . . 11 SER C . 11161 1 50 . 1 1 11 11 SER CA C 13 58.512 0.300 . 1 . . . . 11 SER CA . 11161 1 51 . 1 1 11 11 SER CB C 13 63.836 0.300 . 1 . . . . 11 SER CB . 11161 1 52 . 1 1 11 11 SER N N 15 117.768 0.300 . 1 . . . . 11 SER N . 11161 1 53 . 1 1 12 12 VAL H H 1 8.085 0.030 . 1 . . . . 12 VAL H . 11161 1 54 . 1 1 12 12 VAL HA H 1 4.092 0.030 . 1 . . . . 12 VAL HA . 11161 1 55 . 1 1 12 12 VAL HB H 1 2.106 0.030 . 1 . . . . 12 VAL HB . 11161 1 56 . 1 1 12 12 VAL HG11 H 1 0.935 0.030 . 1 . . . . 12 VAL HG1 . 11161 1 57 . 1 1 12 12 VAL HG12 H 1 0.935 0.030 . 1 . . . . 12 VAL HG1 . 11161 1 58 . 1 1 12 12 VAL HG13 H 1 0.935 0.030 . 1 . . . . 12 VAL HG1 . 11161 1 59 . 1 1 12 12 VAL HG21 H 1 0.944 0.030 . 1 . . . . 12 VAL HG2 . 11161 1 60 . 1 1 12 12 VAL HG22 H 1 0.944 0.030 . 1 . . . . 12 VAL HG2 . 11161 1 61 . 1 1 12 12 VAL HG23 H 1 0.944 0.030 . 1 . . . . 12 VAL HG2 . 11161 1 62 . 1 1 12 12 VAL C C 13 176.329 0.300 . 1 . . . . 12 VAL C . 11161 1 63 . 1 1 12 12 VAL CA C 13 62.917 0.300 . 1 . . . . 12 VAL CA . 11161 1 64 . 1 1 12 12 VAL CB C 13 32.434 0.300 . 1 . . . . 12 VAL CB . 11161 1 65 . 1 1 12 12 VAL CG1 C 13 21.607 0.300 . 2 . . . . 12 VAL CG1 . 11161 1 66 . 1 1 12 12 VAL CG2 C 13 20.678 0.300 . 2 . . . . 12 VAL CG2 . 11161 1 67 . 1 1 12 12 VAL N N 15 121.633 0.300 . 1 . . . . 12 VAL N . 11161 1 68 . 1 1 13 13 LEU H H 1 8.135 0.030 . 1 . . . . 13 LEU H . 11161 1 69 . 1 1 13 13 LEU HA H 1 4.294 0.030 . 1 . . . . 13 LEU HA . 11161 1 70 . 1 1 13 13 LEU HB2 H 1 1.572 0.030 . 2 . . . . 13 LEU HB2 . 11161 1 71 . 1 1 13 13 LEU HB3 H 1 1.637 0.030 . 2 . . . . 13 LEU HB3 . 11161 1 72 . 1 1 13 13 LEU HD11 H 1 0.905 0.030 . 1 . . . . 13 LEU HD1 . 11161 1 73 . 1 1 13 13 LEU HD12 H 1 0.905 0.030 . 1 . . . . 13 LEU HD1 . 11161 1 74 . 1 1 13 13 LEU HD13 H 1 0.905 0.030 . 1 . . . . 13 LEU HD1 . 11161 1 75 . 1 1 13 13 LEU HD21 H 1 0.864 0.030 . 1 . . . . 13 LEU HD2 . 11161 1 76 . 1 1 13 13 LEU HD22 H 1 0.864 0.030 . 1 . . . . 13 LEU HD2 . 11161 1 77 . 1 1 13 13 LEU HD23 H 1 0.864 0.030 . 1 . . . . 13 LEU HD2 . 11161 1 78 . 1 1 13 13 LEU HG H 1 1.611 0.030 . 1 . . . . 13 LEU HG . 11161 1 79 . 1 1 13 13 LEU C C 13 177.449 0.300 . 1 . . . . 13 LEU C . 11161 1 80 . 1 1 13 13 LEU CA C 13 55.557 0.300 . 1 . . . . 13 LEU CA . 11161 1 81 . 1 1 13 13 LEU CB C 13 42.288 0.300 . 1 . . . . 13 LEU CB . 11161 1 82 . 1 1 13 13 LEU CD1 C 13 24.910 0.300 . 2 . . . . 13 LEU CD1 . 11161 1 83 . 1 1 13 13 LEU CD2 C 13 23.538 0.300 . 2 . . . . 13 LEU CD2 . 11161 1 84 . 1 1 13 13 LEU CG C 13 27.043 0.300 . 1 . . . . 13 LEU CG . 11161 1 85 . 1 1 13 13 LEU N N 15 124.465 0.300 . 1 . . . . 13 LEU N . 11161 1 86 . 1 1 14 14 GLU H H 1 8.193 0.030 . 1 . . . . 14 GLU H . 11161 1 87 . 1 1 14 14 GLU HA H 1 4.234 0.030 . 1 . . . . 14 GLU HA . 11161 1 88 . 1 1 14 14 GLU HB2 H 1 1.937 0.030 . 2 . . . . 14 GLU HB2 . 11161 1 89 . 1 1 14 14 GLU HB3 H 1 2.025 0.030 . 2 . . . . 14 GLU HB3 . 11161 1 90 . 1 1 14 14 GLU HG2 H 1 2.251 0.030 . 1 . . . . 14 GLU HG2 . 11161 1 91 . 1 1 14 14 GLU HG3 H 1 2.251 0.030 . 1 . . . . 14 GLU HG3 . 11161 1 92 . 1 1 14 14 GLU C C 13 176.374 0.300 . 1 . . . . 14 GLU C . 11161 1 93 . 1 1 14 14 GLU CA C 13 56.733 0.300 . 1 . . . . 14 GLU CA . 11161 1 94 . 1 1 14 14 GLU CB C 13 30.268 0.300 . 1 . . . . 14 GLU CB . 11161 1 95 . 1 1 14 14 GLU CG C 13 36.349 0.300 . 1 . . . . 14 GLU CG . 11161 1 96 . 1 1 14 14 GLU N N 15 121.022 0.300 . 1 . . . . 14 GLU N . 11161 1 97 . 1 1 15 15 MET H H 1 8.192 0.030 . 1 . . . . 15 MET H . 11161 1 98 . 1 1 15 15 MET HA H 1 4.429 0.030 . 1 . . . . 15 MET HA . 11161 1 99 . 1 1 15 15 MET HB2 H 1 2.020 0.030 . 2 . . . . 15 MET HB2 . 11161 1 100 . 1 1 15 15 MET HB3 H 1 2.064 0.030 . 2 . . . . 15 MET HB3 . 11161 1 101 . 1 1 15 15 MET HE1 H 1 2.095 0.030 . 1 . . . . 15 MET HE . 11161 1 102 . 1 1 15 15 MET HE2 H 1 2.095 0.030 . 1 . . . . 15 MET HE . 11161 1 103 . 1 1 15 15 MET HE3 H 1 2.095 0.030 . 1 . . . . 15 MET HE . 11161 1 104 . 1 1 15 15 MET HG2 H 1 2.590 0.030 . 2 . . . . 15 MET HG2 . 11161 1 105 . 1 1 15 15 MET HG3 H 1 2.507 0.030 . 2 . . . . 15 MET HG3 . 11161 1 106 . 1 1 15 15 MET C C 13 176.159 0.300 . 1 . . . . 15 MET C . 11161 1 107 . 1 1 15 15 MET CA C 13 55.727 0.300 . 1 . . . . 15 MET CA . 11161 1 108 . 1 1 15 15 MET CB C 13 33.047 0.300 . 1 . . . . 15 MET CB . 11161 1 109 . 1 1 15 15 MET CE C 13 17.040 0.300 . 1 . . . . 15 MET CE . 11161 1 110 . 1 1 15 15 MET CG C 13 31.998 0.300 . 1 . . . . 15 MET CG . 11161 1 111 . 1 1 15 15 MET N N 15 121.096 0.300 . 1 . . . . 15 MET N . 11161 1 112 . 1 1 16 16 ILE H H 1 8.147 0.030 . 1 . . . . 16 ILE H . 11161 1 113 . 1 1 16 16 ILE HA H 1 4.134 0.030 . 1 . . . . 16 ILE HA . 11161 1 114 . 1 1 16 16 ILE HB H 1 1.857 0.030 . 1 . . . . 16 ILE HB . 11161 1 115 . 1 1 16 16 ILE HD11 H 1 0.831 0.030 . 1 . . . . 16 ILE HD1 . 11161 1 116 . 1 1 16 16 ILE HD12 H 1 0.831 0.030 . 1 . . . . 16 ILE HD1 . 11161 1 117 . 1 1 16 16 ILE HD13 H 1 0.831 0.030 . 1 . . . . 16 ILE HD1 . 11161 1 118 . 1 1 16 16 ILE HG12 H 1 1.468 0.030 . 2 . . . . 16 ILE HG12 . 11161 1 119 . 1 1 16 16 ILE HG13 H 1 1.177 0.030 . 2 . . . . 16 ILE HG13 . 11161 1 120 . 1 1 16 16 ILE HG21 H 1 0.879 0.030 . 1 . . . . 16 ILE HG2 . 11161 1 121 . 1 1 16 16 ILE HG22 H 1 0.879 0.030 . 1 . . . . 16 ILE HG2 . 11161 1 122 . 1 1 16 16 ILE HG23 H 1 0.879 0.030 . 1 . . . . 16 ILE HG2 . 11161 1 123 . 1 1 16 16 ILE C C 13 176.219 0.300 . 1 . . . . 16 ILE C . 11161 1 124 . 1 1 16 16 ILE CA C 13 61.261 0.300 . 1 . . . . 16 ILE CA . 11161 1 125 . 1 1 16 16 ILE CB C 13 38.518 0.300 . 1 . . . . 16 ILE CB . 11161 1 126 . 1 1 16 16 ILE CD1 C 13 12.901 0.300 . 1 . . . . 16 ILE CD1 . 11161 1 127 . 1 1 16 16 ILE CG1 C 13 27.321 0.300 . 1 . . . . 16 ILE CG1 . 11161 1 128 . 1 1 16 16 ILE CG2 C 13 17.600 0.300 . 1 . . . . 16 ILE CG2 . 11161 1 129 . 1 1 16 16 ILE N N 15 122.370 0.300 . 1 . . . . 16 ILE N . 11161 1 130 . 1 1 17 17 LYS H H 1 8.307 0.030 . 1 . . . . 17 LYS H . 11161 1 131 . 1 1 17 17 LYS HA H 1 4.272 0.030 . 1 . . . . 17 LYS HA . 11161 1 132 . 1 1 17 17 LYS HB2 H 1 1.749 0.030 . 2 . . . . 17 LYS HB2 . 11161 1 133 . 1 1 17 17 LYS HB3 H 1 1.820 0.030 . 2 . . . . 17 LYS HB3 . 11161 1 134 . 1 1 17 17 LYS HD2 H 1 1.427 0.030 . 2 . . . . 17 LYS HD2 . 11161 1 135 . 1 1 17 17 LYS HD3 H 1 1.379 0.030 . 2 . . . . 17 LYS HD3 . 11161 1 136 . 1 1 17 17 LYS HE2 H 1 2.986 0.030 . 1 . . . . 17 LYS HE2 . 11161 1 137 . 1 1 17 17 LYS HE3 H 1 2.986 0.030 . 1 . . . . 17 LYS HE3 . 11161 1 138 . 1 1 17 17 LYS HG2 H 1 1.663 0.030 . 1 . . . . 17 LYS HG2 . 11161 1 139 . 1 1 17 17 LYS HG3 H 1 1.663 0.030 . 1 . . . . 17 LYS HG3 . 11161 1 140 . 1 1 17 17 LYS C C 13 176.672 0.300 . 1 . . . . 17 LYS C . 11161 1 141 . 1 1 17 17 LYS CA C 13 56.543 0.300 . 1 . . . . 17 LYS CA . 11161 1 142 . 1 1 17 17 LYS CB C 13 33.071 0.300 . 1 . . . . 17 LYS CB . 11161 1 143 . 1 1 17 17 LYS CD C 13 24.709 0.300 . 1 . . . . 17 LYS CD . 11161 1 144 . 1 1 17 17 LYS CE C 13 42.168 0.300 . 1 . . . . 17 LYS CE . 11161 1 145 . 1 1 17 17 LYS CG C 13 29.105 0.300 . 1 . . . . 17 LYS CG . 11161 1 146 . 1 1 17 17 LYS N N 15 125.678 0.300 . 1 . . . . 17 LYS N . 11161 1 147 . 1 1 18 18 GLU H H 1 8.493 0.030 . 1 . . . . 18 GLU H . 11161 1 148 . 1 1 18 18 GLU HA H 1 4.210 0.030 . 1 . . . . 18 GLU HA . 11161 1 149 . 1 1 18 18 GLU HB2 H 1 1.936 0.030 . 2 . . . . 18 GLU HB2 . 11161 1 150 . 1 1 18 18 GLU HB3 H 1 2.027 0.030 . 2 . . . . 18 GLU HB3 . 11161 1 151 . 1 1 18 18 GLU HG2 H 1 2.249 0.030 . 2 . . . . 18 GLU HG2 . 11161 1 152 . 1 1 18 18 GLU HG3 H 1 2.301 0.030 . 2 . . . . 18 GLU HG3 . 11161 1 153 . 1 1 18 18 GLU C C 13 176.611 0.300 . 1 . . . . 18 GLU C . 11161 1 154 . 1 1 18 18 GLU CA C 13 57.082 0.300 . 1 . . . . 18 GLU CA . 11161 1 155 . 1 1 18 18 GLU CB C 13 30.270 0.300 . 1 . . . . 18 GLU CB . 11161 1 156 . 1 1 18 18 GLU CG C 13 36.384 0.300 . 1 . . . . 18 GLU CG . 11161 1 157 . 1 1 18 18 GLU N N 15 122.625 0.300 . 1 . . . . 18 GLU N . 11161 1 158 . 1 1 19 19 GLU H H 1 8.482 0.030 . 1 . . . . 19 GLU H . 11161 1 159 . 1 1 19 19 GLU HA H 1 4.323 0.030 . 1 . . . . 19 GLU HA . 11161 1 160 . 1 1 19 19 GLU HB2 H 1 1.955 0.030 . 2 . . . . 19 GLU HB2 . 11161 1 161 . 1 1 19 19 GLU HB3 H 1 2.052 0.030 . 2 . . . . 19 GLU HB3 . 11161 1 162 . 1 1 19 19 GLU HG2 H 1 2.252 0.030 . 2 . . . . 19 GLU HG2 . 11161 1 163 . 1 1 19 19 GLU HG3 H 1 2.294 0.030 . 2 . . . . 19 GLU HG3 . 11161 1 164 . 1 1 19 19 GLU C C 13 176.349 0.300 . 1 . . . . 19 GLU C . 11161 1 165 . 1 1 19 19 GLU CA C 13 56.820 0.300 . 1 . . . . 19 GLU CA . 11161 1 166 . 1 1 19 19 GLU CB C 13 30.280 0.300 . 1 . . . . 19 GLU CB . 11161 1 167 . 1 1 19 19 GLU CG C 13 36.384 0.300 . 1 . . . . 19 GLU CG . 11161 1 168 . 1 1 19 19 GLU N N 15 121.189 0.300 . 1 . . . . 19 GLU N . 11161 1 169 . 1 1 20 20 VAL H H 1 8.000 0.030 . 1 . . . . 20 VAL H . 11161 1 170 . 1 1 20 20 VAL HA H 1 4.371 0.030 . 1 . . . . 20 VAL HA . 11161 1 171 . 1 1 20 20 VAL HB H 1 2.249 0.030 . 1 . . . . 20 VAL HB . 11161 1 172 . 1 1 20 20 VAL HG11 H 1 0.907 0.030 . 1 . . . . 20 VAL HG1 . 11161 1 173 . 1 1 20 20 VAL HG12 H 1 0.907 0.030 . 1 . . . . 20 VAL HG1 . 11161 1 174 . 1 1 20 20 VAL HG13 H 1 0.907 0.030 . 1 . . . . 20 VAL HG1 . 11161 1 175 . 1 1 20 20 VAL HG21 H 1 0.883 0.030 . 1 . . . . 20 VAL HG2 . 11161 1 176 . 1 1 20 20 VAL HG22 H 1 0.883 0.030 . 1 . . . . 20 VAL HG2 . 11161 1 177 . 1 1 20 20 VAL HG23 H 1 0.883 0.030 . 1 . . . . 20 VAL HG2 . 11161 1 178 . 1 1 20 20 VAL C C 13 175.288 0.300 . 1 . . . . 20 VAL C . 11161 1 179 . 1 1 20 20 VAL CA C 13 61.796 0.300 . 1 . . . . 20 VAL CA . 11161 1 180 . 1 1 20 20 VAL CB C 13 32.554 0.300 . 1 . . . . 20 VAL CB . 11161 1 181 . 1 1 20 20 VAL CG1 C 13 21.836 0.300 . 2 . . . . 20 VAL CG1 . 11161 1 182 . 1 1 20 20 VAL CG2 C 13 19.799 0.300 . 2 . . . . 20 VAL CG2 . 11161 1 183 . 1 1 20 20 VAL N N 15 116.732 0.300 . 1 . . . . 20 VAL N . 11161 1 184 . 1 1 21 21 THR H H 1 7.765 0.030 . 1 . . . . 21 THR H . 11161 1 185 . 1 1 21 21 THR HA H 1 4.492 0.030 . 1 . . . . 21 THR HA . 11161 1 186 . 1 1 21 21 THR HB H 1 3.763 0.030 . 1 . . . . 21 THR HB . 11161 1 187 . 1 1 21 21 THR HG21 H 1 0.934 0.030 . 1 . . . . 21 THR HG2 . 11161 1 188 . 1 1 21 21 THR HG22 H 1 0.934 0.030 . 1 . . . . 21 THR HG2 . 11161 1 189 . 1 1 21 21 THR HG23 H 1 0.934 0.030 . 1 . . . . 21 THR HG2 . 11161 1 190 . 1 1 21 21 THR C C 13 173.583 0.300 . 1 . . . . 21 THR C . 11161 1 191 . 1 1 21 21 THR CA C 13 60.695 0.300 . 1 . . . . 21 THR CA . 11161 1 192 . 1 1 21 21 THR CB C 13 71.051 0.300 . 1 . . . . 21 THR CB . 11161 1 193 . 1 1 21 21 THR CG2 C 13 21.594 0.300 . 1 . . . . 21 THR CG2 . 11161 1 194 . 1 1 21 21 THR N N 15 115.842 0.300 . 1 . . . . 21 THR N . 11161 1 195 . 1 1 22 22 CYS H H 1 9.000 0.030 . 1 . . . . 22 CYS H . 11161 1 196 . 1 1 22 22 CYS HA H 1 4.715 0.030 . 1 . . . . 22 CYS HA . 11161 1 197 . 1 1 22 22 CYS HB2 H 1 3.154 0.030 . 2 . . . . 22 CYS HB2 . 11161 1 198 . 1 1 22 22 CYS HB3 H 1 3.777 0.030 . 2 . . . . 22 CYS HB3 . 11161 1 199 . 1 1 22 22 CYS C C 13 176.052 0.300 . 1 . . . . 22 CYS C . 11161 1 200 . 1 1 22 22 CYS CA C 13 56.335 0.300 . 1 . . . . 22 CYS CA . 11161 1 201 . 1 1 22 22 CYS CB C 13 34.066 0.300 . 1 . . . . 22 CYS CB . 11161 1 202 . 1 1 22 22 CYS N N 15 128.552 0.300 . 1 . . . . 22 CYS N . 11161 1 203 . 1 1 23 23 PRO HA H 1 4.545 0.030 . 1 . . . . 23 PRO HA . 11161 1 204 . 1 1 23 23 PRO HB2 H 1 1.919 0.030 . 2 . . . . 23 PRO HB2 . 11161 1 205 . 1 1 23 23 PRO HB3 H 1 2.371 0.030 . 2 . . . . 23 PRO HB3 . 11161 1 206 . 1 1 23 23 PRO HD2 H 1 4.125 0.030 . 2 . . . . 23 PRO HD2 . 11161 1 207 . 1 1 23 23 PRO HD3 H 1 4.485 0.030 . 2 . . . . 23 PRO HD3 . 11161 1 208 . 1 1 23 23 PRO HG2 H 1 2.111 0.030 . 2 . . . . 23 PRO HG2 . 11161 1 209 . 1 1 23 23 PRO HG3 H 1 1.882 0.030 . 2 . . . . 23 PRO HG3 . 11161 1 210 . 1 1 23 23 PRO C C 13 176.486 0.300 . 1 . . . . 23 PRO C . 11161 1 211 . 1 1 23 23 PRO CA C 13 64.081 0.300 . 1 . . . . 23 PRO CA . 11161 1 212 . 1 1 23 23 PRO CB C 13 32.513 0.300 . 1 . . . . 23 PRO CB . 11161 1 213 . 1 1 23 23 PRO CD C 13 51.864 0.300 . 1 . . . . 23 PRO CD . 11161 1 214 . 1 1 23 23 PRO CG C 13 27.771 0.300 . 1 . . . . 23 PRO CG . 11161 1 215 . 1 1 24 24 ILE H H 1 9.286 0.030 . 1 . . . . 24 ILE H . 11161 1 216 . 1 1 24 24 ILE HA H 1 4.079 0.030 . 1 . . . . 24 ILE HA . 11161 1 217 . 1 1 24 24 ILE HB H 1 2.033 0.030 . 1 . . . . 24 ILE HB . 11161 1 218 . 1 1 24 24 ILE HD11 H 1 0.615 0.030 . 1 . . . . 24 ILE HD1 . 11161 1 219 . 1 1 24 24 ILE HD12 H 1 0.615 0.030 . 1 . . . . 24 ILE HD1 . 11161 1 220 . 1 1 24 24 ILE HD13 H 1 0.615 0.030 . 1 . . . . 24 ILE HD1 . 11161 1 221 . 1 1 24 24 ILE HG12 H 1 1.701 0.030 . 2 . . . . 24 ILE HG12 . 11161 1 222 . 1 1 24 24 ILE HG13 H 1 0.972 0.030 . 2 . . . . 24 ILE HG13 . 11161 1 223 . 1 1 24 24 ILE HG21 H 1 0.989 0.030 . 1 . . . . 24 ILE HG2 . 11161 1 224 . 1 1 24 24 ILE HG22 H 1 0.989 0.030 . 1 . . . . 24 ILE HG2 . 11161 1 225 . 1 1 24 24 ILE HG23 H 1 0.989 0.030 . 1 . . . . 24 ILE HG2 . 11161 1 226 . 1 1 24 24 ILE C C 13 176.299 0.300 . 1 . . . . 24 ILE C . 11161 1 227 . 1 1 24 24 ILE CA C 13 64.260 0.300 . 1 . . . . 24 ILE CA . 11161 1 228 . 1 1 24 24 ILE CB C 13 38.673 0.300 . 1 . . . . 24 ILE CB . 11161 1 229 . 1 1 24 24 ILE CD1 C 13 14.056 0.300 . 1 . . . . 24 ILE CD1 . 11161 1 230 . 1 1 24 24 ILE CG1 C 13 27.851 0.300 . 1 . . . . 24 ILE CG1 . 11161 1 231 . 1 1 24 24 ILE CG2 C 13 16.790 0.300 . 1 . . . . 24 ILE CG2 . 11161 1 232 . 1 1 24 24 ILE N N 15 121.472 0.300 . 1 . . . . 24 ILE N . 11161 1 233 . 1 1 25 25 CYS H H 1 8.311 0.030 . 1 . . . . 25 CYS H . 11161 1 234 . 1 1 25 25 CYS HA H 1 4.718 0.030 . 1 . . . . 25 CYS HA . 11161 1 235 . 1 1 25 25 CYS HB2 H 1 3.211 0.030 . 1 . . . . 25 CYS HB2 . 11161 1 236 . 1 1 25 25 CYS HB3 H 1 3.211 0.030 . 1 . . . . 25 CYS HB3 . 11161 1 237 . 1 1 25 25 CYS C C 13 176.096 0.300 . 1 . . . . 25 CYS C . 11161 1 238 . 1 1 25 25 CYS CA C 13 59.287 0.300 . 1 . . . . 25 CYS CA . 11161 1 239 . 1 1 25 25 CYS CB C 13 31.835 0.300 . 1 . . . . 25 CYS CB . 11161 1 240 . 1 1 25 25 CYS N N 15 118.346 0.300 . 1 . . . . 25 CYS N . 11161 1 241 . 1 1 26 26 LEU H H 1 7.947 0.030 . 1 . . . . 26 LEU H . 11161 1 242 . 1 1 26 26 LEU HA H 1 4.178 0.030 . 1 . . . . 26 LEU HA . 11161 1 243 . 1 1 26 26 LEU HB2 H 1 1.651 0.030 . 2 . . . . 26 LEU HB2 . 11161 1 244 . 1 1 26 26 LEU HB3 H 1 2.152 0.030 . 2 . . . . 26 LEU HB3 . 11161 1 245 . 1 1 26 26 LEU HD11 H 1 0.883 0.030 . 1 . . . . 26 LEU HD1 . 11161 1 246 . 1 1 26 26 LEU HD12 H 1 0.883 0.030 . 1 . . . . 26 LEU HD1 . 11161 1 247 . 1 1 26 26 LEU HD13 H 1 0.883 0.030 . 1 . . . . 26 LEU HD1 . 11161 1 248 . 1 1 26 26 LEU HD21 H 1 0.821 0.030 . 1 . . . . 26 LEU HD2 . 11161 1 249 . 1 1 26 26 LEU HD22 H 1 0.821 0.030 . 1 . . . . 26 LEU HD2 . 11161 1 250 . 1 1 26 26 LEU HD23 H 1 0.821 0.030 . 1 . . . . 26 LEU HD2 . 11161 1 251 . 1 1 26 26 LEU HG H 1 1.399 0.030 . 1 . . . . 26 LEU HG . 11161 1 252 . 1 1 26 26 LEU C C 13 175.942 0.300 . 1 . . . . 26 LEU C . 11161 1 253 . 1 1 26 26 LEU CA C 13 56.820 0.300 . 1 . . . . 26 LEU CA . 11161 1 254 . 1 1 26 26 LEU CB C 13 38.261 0.300 . 1 . . . . 26 LEU CB . 11161 1 255 . 1 1 26 26 LEU CD1 C 13 25.311 0.300 . 2 . . . . 26 LEU CD1 . 11161 1 256 . 1 1 26 26 LEU CD2 C 13 22.761 0.300 . 2 . . . . 26 LEU CD2 . 11161 1 257 . 1 1 26 26 LEU CG C 13 27.425 0.300 . 1 . . . . 26 LEU CG . 11161 1 258 . 1 1 26 26 LEU N N 15 118.202 0.300 . 1 . . . . 26 LEU N . 11161 1 259 . 1 1 27 27 GLU H H 1 8.365 0.030 . 1 . . . . 27 GLU H . 11161 1 260 . 1 1 27 27 GLU HA H 1 4.650 0.030 . 1 . . . . 27 GLU HA . 11161 1 261 . 1 1 27 27 GLU HB2 H 1 2.262 0.030 . 2 . . . . 27 GLU HB2 . 11161 1 262 . 1 1 27 27 GLU HB3 H 1 2.155 0.030 . 2 . . . . 27 GLU HB3 . 11161 1 263 . 1 1 27 27 GLU HG2 H 1 2.218 0.030 . 2 . . . . 27 GLU HG2 . 11161 1 264 . 1 1 27 27 GLU HG3 H 1 2.370 0.030 . 2 . . . . 27 GLU HG3 . 11161 1 265 . 1 1 27 27 GLU C C 13 175.368 0.300 . 1 . . . . 27 GLU C . 11161 1 266 . 1 1 27 27 GLU CA C 13 54.317 0.300 . 1 . . . . 27 GLU CA . 11161 1 267 . 1 1 27 27 GLU CB C 13 32.165 0.300 . 1 . . . . 27 GLU CB . 11161 1 268 . 1 1 27 27 GLU CG C 13 36.056 0.300 . 1 . . . . 27 GLU CG . 11161 1 269 . 1 1 27 27 GLU N N 15 120.459 0.300 . 1 . . . . 27 GLU N . 11161 1 270 . 1 1 28 28 LEU H H 1 8.065 0.030 . 1 . . . . 28 LEU H . 11161 1 271 . 1 1 28 28 LEU HA H 1 4.214 0.030 . 1 . . . . 28 LEU HA . 11161 1 272 . 1 1 28 28 LEU HB2 H 1 1.491 0.030 . 2 . . . . 28 LEU HB2 . 11161 1 273 . 1 1 28 28 LEU HB3 H 1 1.601 0.030 . 2 . . . . 28 LEU HB3 . 11161 1 274 . 1 1 28 28 LEU HD11 H 1 0.934 0.030 . 1 . . . . 28 LEU HD1 . 11161 1 275 . 1 1 28 28 LEU HD12 H 1 0.934 0.030 . 1 . . . . 28 LEU HD1 . 11161 1 276 . 1 1 28 28 LEU HD13 H 1 0.934 0.030 . 1 . . . . 28 LEU HD1 . 11161 1 277 . 1 1 28 28 LEU HD21 H 1 0.826 0.030 . 1 . . . . 28 LEU HD2 . 11161 1 278 . 1 1 28 28 LEU HD22 H 1 0.826 0.030 . 1 . . . . 28 LEU HD2 . 11161 1 279 . 1 1 28 28 LEU HD23 H 1 0.826 0.030 . 1 . . . . 28 LEU HD2 . 11161 1 280 . 1 1 28 28 LEU HG H 1 1.735 0.030 . 1 . . . . 28 LEU HG . 11161 1 281 . 1 1 28 28 LEU C C 13 177.050 0.300 . 1 . . . . 28 LEU C . 11161 1 282 . 1 1 28 28 LEU CA C 13 56.079 0.300 . 1 . . . . 28 LEU CA . 11161 1 283 . 1 1 28 28 LEU CB C 13 42.058 0.300 . 1 . . . . 28 LEU CB . 11161 1 284 . 1 1 28 28 LEU CD1 C 13 25.149 0.300 . 2 . . . . 28 LEU CD1 . 11161 1 285 . 1 1 28 28 LEU CD2 C 13 23.860 0.300 . 2 . . . . 28 LEU CD2 . 11161 1 286 . 1 1 28 28 LEU CG C 13 26.914 0.300 . 1 . . . . 28 LEU CG . 11161 1 287 . 1 1 28 28 LEU N N 15 119.378 0.300 . 1 . . . . 28 LEU N . 11161 1 288 . 1 1 29 29 LEU H H 1 7.721 0.030 . 1 . . . . 29 LEU H . 11161 1 289 . 1 1 29 29 LEU HA H 1 4.341 0.030 . 1 . . . . 29 LEU HA . 11161 1 290 . 1 1 29 29 LEU HB2 H 1 0.973 0.030 . 2 . . . . 29 LEU HB2 . 11161 1 291 . 1 1 29 29 LEU HB3 H 1 1.663 0.030 . 2 . . . . 29 LEU HB3 . 11161 1 292 . 1 1 29 29 LEU HD11 H 1 0.725 0.030 . 1 . . . . 29 LEU HD1 . 11161 1 293 . 1 1 29 29 LEU HD12 H 1 0.725 0.030 . 1 . . . . 29 LEU HD1 . 11161 1 294 . 1 1 29 29 LEU HD13 H 1 0.725 0.030 . 1 . . . . 29 LEU HD1 . 11161 1 295 . 1 1 29 29 LEU HD21 H 1 0.829 0.030 . 1 . . . . 29 LEU HD2 . 11161 1 296 . 1 1 29 29 LEU HD22 H 1 0.829 0.030 . 1 . . . . 29 LEU HD2 . 11161 1 297 . 1 1 29 29 LEU HD23 H 1 0.829 0.030 . 1 . . . . 29 LEU HD2 . 11161 1 298 . 1 1 29 29 LEU HG H 1 1.377 0.030 . 1 . . . . 29 LEU HG . 11161 1 299 . 1 1 29 29 LEU C C 13 177.325 0.300 . 1 . . . . 29 LEU C . 11161 1 300 . 1 1 29 29 LEU CA C 13 56.234 0.300 . 1 . . . . 29 LEU CA . 11161 1 301 . 1 1 29 29 LEU CB C 13 44.080 0.300 . 1 . . . . 29 LEU CB . 11161 1 302 . 1 1 29 29 LEU CD1 C 13 26.213 0.300 . 2 . . . . 29 LEU CD1 . 11161 1 303 . 1 1 29 29 LEU CD2 C 13 23.966 0.300 . 2 . . . . 29 LEU CD2 . 11161 1 304 . 1 1 29 29 LEU CG C 13 27.689 0.300 . 1 . . . . 29 LEU CG . 11161 1 305 . 1 1 29 29 LEU N N 15 120.560 0.300 . 1 . . . . 29 LEU N . 11161 1 306 . 1 1 30 30 LYS H H 1 8.804 0.030 . 1 . . . . 30 LYS H . 11161 1 307 . 1 1 30 30 LYS HA H 1 4.517 0.030 . 1 . . . . 30 LYS HA . 11161 1 308 . 1 1 30 30 LYS HB2 H 1 1.968 0.030 . 2 . . . . 30 LYS HB2 . 11161 1 309 . 1 1 30 30 LYS HB3 H 1 1.864 0.030 . 2 . . . . 30 LYS HB3 . 11161 1 310 . 1 1 30 30 LYS HD2 H 1 1.725 0.030 . 2 . . . . 30 LYS HD2 . 11161 1 311 . 1 1 30 30 LYS HD3 H 1 1.824 0.030 . 2 . . . . 30 LYS HD3 . 11161 1 312 . 1 1 30 30 LYS HE2 H 1 3.093 0.030 . 2 . . . . 30 LYS HE2 . 11161 1 313 . 1 1 30 30 LYS HE3 H 1 3.212 0.030 . 2 . . . . 30 LYS HE3 . 11161 1 314 . 1 1 30 30 LYS HG2 H 1 1.476 0.030 . 2 . . . . 30 LYS HG2 . 11161 1 315 . 1 1 30 30 LYS HG3 H 1 1.591 0.030 . 2 . . . . 30 LYS HG3 . 11161 1 316 . 1 1 30 30 LYS C C 13 176.015 0.300 . 1 . . . . 30 LYS C . 11161 1 317 . 1 1 30 30 LYS CA C 13 55.367 0.300 . 1 . . . . 30 LYS CA . 11161 1 318 . 1 1 30 30 LYS CB C 13 33.557 0.300 . 1 . . . . 30 LYS CB . 11161 1 319 . 1 1 30 30 LYS CD C 13 28.599 0.300 . 1 . . . . 30 LYS CD . 11161 1 320 . 1 1 30 30 LYS CE C 13 41.962 0.300 . 1 . . . . 30 LYS CE . 11161 1 321 . 1 1 30 30 LYS CG C 13 23.866 0.300 . 1 . . . . 30 LYS CG . 11161 1 322 . 1 1 30 30 LYS N N 15 126.394 0.300 . 1 . . . . 30 LYS N . 11161 1 323 . 1 1 31 31 GLU H H 1 9.321 0.030 . 1 . . . . 31 GLU H . 11161 1 324 . 1 1 31 31 GLU HA H 1 3.988 0.030 . 1 . . . . 31 GLU HA . 11161 1 325 . 1 1 31 31 GLU HB2 H 1 2.120 0.030 . 2 . . . . 31 GLU HB2 . 11161 1 326 . 1 1 31 31 GLU HB3 H 1 2.346 0.030 . 2 . . . . 31 GLU HB3 . 11161 1 327 . 1 1 31 31 GLU HG2 H 1 2.288 0.030 . 1 . . . . 31 GLU HG2 . 11161 1 328 . 1 1 31 31 GLU HG3 H 1 2.288 0.030 . 1 . . . . 31 GLU HG3 . 11161 1 329 . 1 1 31 31 GLU C C 13 172.166 0.300 . 1 . . . . 31 GLU C . 11161 1 330 . 1 1 31 31 GLU CA C 13 56.524 0.300 . 1 . . . . 31 GLU CA . 11161 1 331 . 1 1 31 31 GLU CB C 13 28.622 0.300 . 1 . . . . 31 GLU CB . 11161 1 332 . 1 1 31 31 GLU CG C 13 36.922 0.300 . 1 . . . . 31 GLU CG . 11161 1 333 . 1 1 31 31 GLU N N 15 123.105 0.300 . 1 . . . . 31 GLU N . 11161 1 334 . 1 1 32 32 PRO HA H 1 4.687 0.030 . 1 . . . . 32 PRO HA . 11161 1 335 . 1 1 32 32 PRO HB2 H 1 1.808 0.030 . 2 . . . . 32 PRO HB2 . 11161 1 336 . 1 1 32 32 PRO HB3 H 1 1.994 0.030 . 2 . . . . 32 PRO HB3 . 11161 1 337 . 1 1 32 32 PRO HD2 H 1 3.766 0.030 . 2 . . . . 32 PRO HD2 . 11161 1 338 . 1 1 32 32 PRO HD3 H 1 3.229 0.030 . 2 . . . . 32 PRO HD3 . 11161 1 339 . 1 1 32 32 PRO HG2 H 1 1.926 0.030 . 2 . . . . 32 PRO HG2 . 11161 1 340 . 1 1 32 32 PRO HG3 H 1 2.203 0.030 . 2 . . . . 32 PRO HG3 . 11161 1 341 . 1 1 32 32 PRO C C 13 178.058 0.300 . 1 . . . . 32 PRO C . 11161 1 342 . 1 1 32 32 PRO CA C 13 62.228 0.300 . 1 . . . . 32 PRO CA . 11161 1 343 . 1 1 32 32 PRO CB C 13 32.891 0.300 . 1 . . . . 32 PRO CB . 11161 1 344 . 1 1 32 32 PRO CD C 13 50.625 0.300 . 1 . . . . 32 PRO CD . 11161 1 345 . 1 1 32 32 PRO CG C 13 27.555 0.300 . 1 . . . . 32 PRO CG . 11161 1 346 . 1 1 33 33 VAL H H 1 9.061 0.030 . 1 . . . . 33 VAL H . 11161 1 347 . 1 1 33 33 VAL HA H 1 5.004 0.030 . 1 . . . . 33 VAL HA . 11161 1 348 . 1 1 33 33 VAL HB H 1 1.815 0.030 . 1 . . . . 33 VAL HB . 11161 1 349 . 1 1 33 33 VAL HG11 H 1 0.784 0.030 . 1 . . . . 33 VAL HG1 . 11161 1 350 . 1 1 33 33 VAL HG12 H 1 0.784 0.030 . 1 . . . . 33 VAL HG1 . 11161 1 351 . 1 1 33 33 VAL HG13 H 1 0.784 0.030 . 1 . . . . 33 VAL HG1 . 11161 1 352 . 1 1 33 33 VAL HG21 H 1 0.842 0.030 . 1 . . . . 33 VAL HG2 . 11161 1 353 . 1 1 33 33 VAL HG22 H 1 0.842 0.030 . 1 . . . . 33 VAL HG2 . 11161 1 354 . 1 1 33 33 VAL HG23 H 1 0.842 0.030 . 1 . . . . 33 VAL HG2 . 11161 1 355 . 1 1 33 33 VAL C C 13 174.358 0.300 . 1 . . . . 33 VAL C . 11161 1 356 . 1 1 33 33 VAL CA C 13 58.504 0.300 . 1 . . . . 33 VAL CA . 11161 1 357 . 1 1 33 33 VAL CB C 13 36.053 0.300 . 1 . . . . 33 VAL CB . 11161 1 358 . 1 1 33 33 VAL CG1 C 13 21.386 0.300 . 2 . . . . 33 VAL CG1 . 11161 1 359 . 1 1 33 33 VAL CG2 C 13 20.440 0.300 . 2 . . . . 33 VAL CG2 . 11161 1 360 . 1 1 33 33 VAL N N 15 115.965 0.300 . 1 . . . . 33 VAL N . 11161 1 361 . 1 1 34 34 SER H H 1 8.871 0.030 . 1 . . . . 34 SER H . 11161 1 362 . 1 1 34 34 SER HA H 1 5.279 0.030 . 1 . . . . 34 SER HA . 11161 1 363 . 1 1 34 34 SER HB2 H 1 3.552 0.030 . 2 . . . . 34 SER HB2 . 11161 1 364 . 1 1 34 34 SER HB3 H 1 3.723 0.030 . 2 . . . . 34 SER HB3 . 11161 1 365 . 1 1 34 34 SER C C 13 173.983 0.300 . 1 . . . . 34 SER C . 11161 1 366 . 1 1 34 34 SER CA C 13 56.711 0.300 . 1 . . . . 34 SER CA . 11161 1 367 . 1 1 34 34 SER CB C 13 66.519 0.300 . 1 . . . . 34 SER CB . 11161 1 368 . 1 1 34 34 SER N N 15 113.146 0.300 . 1 . . . . 34 SER N . 11161 1 369 . 1 1 35 35 ALA H H 1 8.144 0.030 . 1 . . . . 35 ALA H . 11161 1 370 . 1 1 35 35 ALA HA H 1 4.866 0.030 . 1 . . . . 35 ALA HA . 11161 1 371 . 1 1 35 35 ALA HB1 H 1 1.437 0.030 . 1 . . . . 35 ALA HB . 11161 1 372 . 1 1 35 35 ALA HB2 H 1 1.437 0.030 . 1 . . . . 35 ALA HB . 11161 1 373 . 1 1 35 35 ALA HB3 H 1 1.437 0.030 . 1 . . . . 35 ALA HB . 11161 1 374 . 1 1 35 35 ALA C C 13 179.537 0.300 . 1 . . . . 35 ALA C . 11161 1 375 . 1 1 35 35 ALA CA C 13 50.580 0.300 . 1 . . . . 35 ALA CA . 11161 1 376 . 1 1 35 35 ALA CB C 13 20.713 0.300 . 1 . . . . 35 ALA CB . 11161 1 377 . 1 1 35 35 ALA N N 15 124.285 0.300 . 1 . . . . 35 ALA N . 11161 1 378 . 1 1 36 36 ASP H H 1 8.031 0.030 . 1 . . . . 36 ASP H . 11161 1 379 . 1 1 36 36 ASP HA H 1 4.366 0.030 . 1 . . . . 36 ASP HA . 11161 1 380 . 1 1 36 36 ASP HB2 H 1 2.873 0.030 . 2 . . . . 36 ASP HB2 . 11161 1 381 . 1 1 36 36 ASP HB3 H 1 2.780 0.030 . 2 . . . . 36 ASP HB3 . 11161 1 382 . 1 1 36 36 ASP C C 13 175.790 0.300 . 1 . . . . 36 ASP C . 11161 1 383 . 1 1 36 36 ASP CA C 13 57.499 0.300 . 1 . . . . 36 ASP CA . 11161 1 384 . 1 1 36 36 ASP CB C 13 40.384 0.300 . 1 . . . . 36 ASP CB . 11161 1 385 . 1 1 36 36 ASP N N 15 120.062 0.300 . 1 . . . . 36 ASP N . 11161 1 386 . 1 1 37 37 CYS H H 1 7.523 0.030 . 1 . . . . 37 CYS H . 11161 1 387 . 1 1 37 37 CYS HA H 1 4.427 0.030 . 1 . . . . 37 CYS HA . 11161 1 388 . 1 1 37 37 CYS HB2 H 1 2.706 0.030 . 2 . . . . 37 CYS HB2 . 11161 1 389 . 1 1 37 37 CYS HB3 H 1 3.119 0.030 . 2 . . . . 37 CYS HB3 . 11161 1 390 . 1 1 37 37 CYS C C 13 174.930 0.300 . 1 . . . . 37 CYS C . 11161 1 391 . 1 1 37 37 CYS CA C 13 57.842 0.300 . 1 . . . . 37 CYS CA . 11161 1 392 . 1 1 37 37 CYS CB C 13 30.844 0.300 . 1 . . . . 37 CYS CB . 11161 1 393 . 1 1 37 37 CYS N N 15 114.736 0.300 . 1 . . . . 37 CYS N . 11161 1 394 . 1 1 38 38 ASN H H 1 8.196 0.030 . 1 . . . . 38 ASN H . 11161 1 395 . 1 1 38 38 ASN HA H 1 4.209 0.030 . 1 . . . . 38 ASN HA . 11161 1 396 . 1 1 38 38 ASN HB2 H 1 2.882 0.030 . 1 . . . . 38 ASN HB2 . 11161 1 397 . 1 1 38 38 ASN HB3 H 1 2.882 0.030 . 1 . . . . 38 ASN HB3 . 11161 1 398 . 1 1 38 38 ASN HD21 H 1 6.759 0.030 . 2 . . . . 38 ASN HD21 . 11161 1 399 . 1 1 38 38 ASN HD22 H 1 7.392 0.030 . 2 . . . . 38 ASN HD22 . 11161 1 400 . 1 1 38 38 ASN C C 13 174.498 0.300 . 1 . . . . 38 ASN C . 11161 1 401 . 1 1 38 38 ASN CA C 13 55.194 0.300 . 1 . . . . 38 ASN CA . 11161 1 402 . 1 1 38 38 ASN CB C 13 36.778 0.300 . 1 . . . . 38 ASN CB . 11161 1 403 . 1 1 38 38 ASN N N 15 113.893 0.300 . 1 . . . . 38 ASN N . 11161 1 404 . 1 1 38 38 ASN ND2 N 15 112.894 0.300 . 1 . . . . 38 ASN ND2 . 11161 1 405 . 1 1 39 39 HIS H H 1 7.658 0.030 . 1 . . . . 39 HIS H . 11161 1 406 . 1 1 39 39 HIS HA H 1 4.597 0.030 . 1 . . . . 39 HIS HA . 11161 1 407 . 1 1 39 39 HIS HB2 H 1 2.763 0.030 . 2 . . . . 39 HIS HB2 . 11161 1 408 . 1 1 39 39 HIS HB3 H 1 3.210 0.030 . 2 . . . . 39 HIS HB3 . 11161 1 409 . 1 1 39 39 HIS HD2 H 1 7.335 0.030 . 1 . . . . 39 HIS HD2 . 11161 1 410 . 1 1 39 39 HIS HE1 H 1 7.849 0.030 . 1 . . . . 39 HIS HE1 . 11161 1 411 . 1 1 39 39 HIS C C 13 172.944 0.300 . 1 . . . . 39 HIS C . 11161 1 412 . 1 1 39 39 HIS CA C 13 59.569 0.300 . 1 . . . . 39 HIS CA . 11161 1 413 . 1 1 39 39 HIS CB C 13 31.094 0.300 . 1 . . . . 39 HIS CB . 11161 1 414 . 1 1 39 39 HIS CD2 C 13 118.775 0.300 . 1 . . . . 39 HIS CD2 . 11161 1 415 . 1 1 39 39 HIS CE1 C 13 138.163 0.300 . 1 . . . . 39 HIS CE1 . 11161 1 416 . 1 1 39 39 HIS N N 15 120.170 0.300 . 1 . . . . 39 HIS N . 11161 1 417 . 1 1 40 40 SER H H 1 7.706 0.030 . 1 . . . . 40 SER H . 11161 1 418 . 1 1 40 40 SER HA H 1 5.103 0.030 . 1 . . . . 40 SER HA . 11161 1 419 . 1 1 40 40 SER HB2 H 1 3.393 0.030 . 1 . . . . 40 SER HB2 . 11161 1 420 . 1 1 40 40 SER HB3 H 1 3.393 0.030 . 1 . . . . 40 SER HB3 . 11161 1 421 . 1 1 40 40 SER C C 13 172.070 0.300 . 1 . . . . 40 SER C . 11161 1 422 . 1 1 40 40 SER CA C 13 57.102 0.300 . 1 . . . . 40 SER CA . 11161 1 423 . 1 1 40 40 SER CB C 13 65.747 0.300 . 1 . . . . 40 SER CB . 11161 1 424 . 1 1 40 40 SER N N 15 115.644 0.300 . 1 . . . . 40 SER N . 11161 1 425 . 1 1 41 41 PHE H H 1 8.527 0.030 . 1 . . . . 41 PHE H . 11161 1 426 . 1 1 41 41 PHE HA H 1 5.162 0.030 . 1 . . . . 41 PHE HA . 11161 1 427 . 1 1 41 41 PHE HB2 H 1 2.535 0.030 . 2 . . . . 41 PHE HB2 . 11161 1 428 . 1 1 41 41 PHE HB3 H 1 3.313 0.030 . 2 . . . . 41 PHE HB3 . 11161 1 429 . 1 1 41 41 PHE HD1 H 1 6.874 0.030 . 1 . . . . 41 PHE HD1 . 11161 1 430 . 1 1 41 41 PHE HD2 H 1 6.874 0.030 . 1 . . . . 41 PHE HD2 . 11161 1 431 . 1 1 41 41 PHE HE1 H 1 7.036 0.030 . 1 . . . . 41 PHE HE1 . 11161 1 432 . 1 1 41 41 PHE HE2 H 1 7.036 0.030 . 1 . . . . 41 PHE HE2 . 11161 1 433 . 1 1 41 41 PHE HZ H 1 7.554 0.030 . 1 . . . . 41 PHE HZ . 11161 1 434 . 1 1 41 41 PHE C C 13 175.510 0.300 . 1 . . . . 41 PHE C . 11161 1 435 . 1 1 41 41 PHE CA C 13 53.206 0.300 . 1 . . . . 41 PHE CA . 11161 1 436 . 1 1 41 41 PHE CB C 13 44.156 0.300 . 1 . . . . 41 PHE CB . 11161 1 437 . 1 1 41 41 PHE CD1 C 13 132.913 0.300 . 1 . . . . 41 PHE CD1 . 11161 1 438 . 1 1 41 41 PHE CD2 C 13 132.913 0.300 . 1 . . . . 41 PHE CD2 . 11161 1 439 . 1 1 41 41 PHE CE1 C 13 130.368 0.300 . 1 . . . . 41 PHE CE1 . 11161 1 440 . 1 1 41 41 PHE CE2 C 13 130.368 0.300 . 1 . . . . 41 PHE CE2 . 11161 1 441 . 1 1 41 41 PHE CZ C 13 130.418 0.300 . 1 . . . . 41 PHE CZ . 11161 1 442 . 1 1 41 41 PHE N N 15 117.710 0.300 . 1 . . . . 41 PHE N . 11161 1 443 . 1 1 42 42 CYS H H 1 8.760 0.030 . 1 . . . . 42 CYS H . 11161 1 444 . 1 1 42 42 CYS HA H 1 4.244 0.030 . 1 . . . . 42 CYS HA . 11161 1 445 . 1 1 42 42 CYS HB2 H 1 3.769 0.030 . 2 . . . . 42 CYS HB2 . 11161 1 446 . 1 1 42 42 CYS HB3 H 1 3.408 0.030 . 2 . . . . 42 CYS HB3 . 11161 1 447 . 1 1 42 42 CYS C C 13 179.148 0.300 . 1 . . . . 42 CYS C . 11161 1 448 . 1 1 42 42 CYS CA C 13 60.358 0.300 . 1 . . . . 42 CYS CA . 11161 1 449 . 1 1 42 42 CYS CB C 13 31.566 0.300 . 1 . . . . 42 CYS CB . 11161 1 450 . 1 1 42 42 CYS N N 15 124.446 0.300 . 1 . . . . 42 CYS N . 11161 1 451 . 1 1 43 43 ARG H H 1 8.511 0.030 . 1 . . . . 43 ARG H . 11161 1 452 . 1 1 43 43 ARG HA H 1 3.932 0.030 . 1 . . . . 43 ARG HA . 11161 1 453 . 1 1 43 43 ARG HB2 H 1 1.882 0.030 . 2 . . . . 43 ARG HB2 . 11161 1 454 . 1 1 43 43 ARG HB3 H 1 2.461 0.030 . 2 . . . . 43 ARG HB3 . 11161 1 455 . 1 1 43 43 ARG HD2 H 1 3.232 0.030 . 2 . . . . 43 ARG HD2 . 11161 1 456 . 1 1 43 43 ARG HD3 H 1 3.144 0.030 . 2 . . . . 43 ARG HD3 . 11161 1 457 . 1 1 43 43 ARG HE H 1 7.306 0.030 . 1 . . . . 43 ARG HE . 11161 1 458 . 1 1 43 43 ARG HG2 H 1 1.559 0.030 . 2 . . . . 43 ARG HG2 . 11161 1 459 . 1 1 43 43 ARG HG3 H 1 1.442 0.030 . 2 . . . . 43 ARG HG3 . 11161 1 460 . 1 1 43 43 ARG C C 13 180.199 0.300 . 1 . . . . 43 ARG C . 11161 1 461 . 1 1 43 43 ARG CA C 13 61.015 0.300 . 1 . . . . 43 ARG CA . 11161 1 462 . 1 1 43 43 ARG CB C 13 29.499 0.300 . 1 . . . . 43 ARG CB . 11161 1 463 . 1 1 43 43 ARG CD C 13 43.237 0.300 . 1 . . . . 43 ARG CD . 11161 1 464 . 1 1 43 43 ARG CG C 13 27.001 0.300 . 1 . . . . 43 ARG CG . 11161 1 465 . 1 1 43 43 ARG N N 15 125.774 0.300 . 1 . . . . 43 ARG N . 11161 1 466 . 1 1 43 43 ARG NE N 15 82.880 0.300 . 1 . . . . 43 ARG NE . 11161 1 467 . 1 1 44 44 ALA H H 1 9.527 0.030 . 1 . . . . 44 ALA H . 11161 1 468 . 1 1 44 44 ALA HA H 1 4.166 0.030 . 1 . . . . 44 ALA HA . 11161 1 469 . 1 1 44 44 ALA HB1 H 1 1.531 0.030 . 1 . . . . 44 ALA HB . 11161 1 470 . 1 1 44 44 ALA HB2 H 1 1.531 0.030 . 1 . . . . 44 ALA HB . 11161 1 471 . 1 1 44 44 ALA HB3 H 1 1.531 0.030 . 1 . . . . 44 ALA HB . 11161 1 472 . 1 1 44 44 ALA C C 13 180.313 0.300 . 1 . . . . 44 ALA C . 11161 1 473 . 1 1 44 44 ALA CA C 13 55.507 0.300 . 1 . . . . 44 ALA CA . 11161 1 474 . 1 1 44 44 ALA CB C 13 18.571 0.300 . 1 . . . . 44 ALA CB . 11161 1 475 . 1 1 44 44 ALA N N 15 121.348 0.300 . 1 . . . . 44 ALA N . 11161 1 476 . 1 1 45 45 CYS H H 1 6.974 0.030 . 1 . . . . 45 CYS H . 11161 1 477 . 1 1 45 45 CYS HA H 1 4.069 0.030 . 1 . . . . 45 CYS HA . 11161 1 478 . 1 1 45 45 CYS HB2 H 1 2.948 0.030 . 2 . . . . 45 CYS HB2 . 11161 1 479 . 1 1 45 45 CYS HB3 H 1 3.068 0.030 . 2 . . . . 45 CYS HB3 . 11161 1 480 . 1 1 45 45 CYS C C 13 178.489 0.300 . 1 . . . . 45 CYS C . 11161 1 481 . 1 1 45 45 CYS CA C 13 63.835 0.300 . 1 . . . . 45 CYS CA . 11161 1 482 . 1 1 45 45 CYS CB C 13 30.023 0.300 . 1 . . . . 45 CYS CB . 11161 1 483 . 1 1 45 45 CYS N N 15 116.645 0.300 . 1 . . . . 45 CYS N . 11161 1 484 . 1 1 46 46 ILE H H 1 8.302 0.030 . 1 . . . . 46 ILE H . 11161 1 485 . 1 1 46 46 ILE HA H 1 3.987 0.030 . 1 . . . . 46 ILE HA . 11161 1 486 . 1 1 46 46 ILE HB H 1 1.228 0.030 . 1 . . . . 46 ILE HB . 11161 1 487 . 1 1 46 46 ILE HD11 H 1 0.615 0.030 . 1 . . . . 46 ILE HD1 . 11161 1 488 . 1 1 46 46 ILE HD12 H 1 0.615 0.030 . 1 . . . . 46 ILE HD1 . 11161 1 489 . 1 1 46 46 ILE HD13 H 1 0.615 0.030 . 1 . . . . 46 ILE HD1 . 11161 1 490 . 1 1 46 46 ILE HG12 H 1 1.479 0.030 . 2 . . . . 46 ILE HG12 . 11161 1 491 . 1 1 46 46 ILE HG13 H 1 0.731 0.030 . 2 . . . . 46 ILE HG13 . 11161 1 492 . 1 1 46 46 ILE HG21 H 1 1.029 0.030 . 1 . . . . 46 ILE HG2 . 11161 1 493 . 1 1 46 46 ILE HG22 H 1 1.029 0.030 . 1 . . . . 46 ILE HG2 . 11161 1 494 . 1 1 46 46 ILE HG23 H 1 1.029 0.030 . 1 . . . . 46 ILE HG2 . 11161 1 495 . 1 1 46 46 ILE C C 13 175.942 0.300 . 1 . . . . 46 ILE C . 11161 1 496 . 1 1 46 46 ILE CA C 13 59.745 0.300 . 1 . . . . 46 ILE CA . 11161 1 497 . 1 1 46 46 ILE CB C 13 38.214 0.300 . 1 . . . . 46 ILE CB . 11161 1 498 . 1 1 46 46 ILE CD1 C 13 13.847 0.300 . 1 . . . . 46 ILE CD1 . 11161 1 499 . 1 1 46 46 ILE CG1 C 13 28.913 0.300 . 1 . . . . 46 ILE CG1 . 11161 1 500 . 1 1 46 46 ILE CG2 C 13 20.211 0.300 . 1 . . . . 46 ILE CG2 . 11161 1 501 . 1 1 46 46 ILE N N 15 119.589 0.300 . 1 . . . . 46 ILE N . 11161 1 502 . 1 1 47 47 THR H H 1 7.840 0.030 . 1 . . . . 47 THR H . 11161 1 503 . 1 1 47 47 THR HA H 1 4.128 0.030 . 1 . . . . 47 THR HA . 11161 1 504 . 1 1 47 47 THR HB H 1 4.314 0.030 . 1 . . . . 47 THR HB . 11161 1 505 . 1 1 47 47 THR HG21 H 1 1.319 0.030 . 1 . . . . 47 THR HG2 . 11161 1 506 . 1 1 47 47 THR HG22 H 1 1.319 0.030 . 1 . . . . 47 THR HG2 . 11161 1 507 . 1 1 47 47 THR HG23 H 1 1.319 0.030 . 1 . . . . 47 THR HG2 . 11161 1 508 . 1 1 47 47 THR C C 13 175.500 0.300 . 1 . . . . 47 THR C . 11161 1 509 . 1 1 47 47 THR CA C 13 68.065 0.300 . 1 . . . . 47 THR CA . 11161 1 510 . 1 1 47 47 THR CB C 13 68.601 0.300 . 1 . . . . 47 THR CB . 11161 1 511 . 1 1 47 47 THR CG2 C 13 20.959 0.300 . 1 . . . . 47 THR CG2 . 11161 1 512 . 1 1 47 47 THR N N 15 120.612 0.300 . 1 . . . . 47 THR N . 11161 1 513 . 1 1 48 48 LEU H H 1 7.429 0.030 . 1 . . . . 48 LEU H . 11161 1 514 . 1 1 48 48 LEU HA H 1 4.226 0.030 . 1 . . . . 48 LEU HA . 11161 1 515 . 1 1 48 48 LEU HB2 H 1 1.774 0.030 . 1 . . . . 48 LEU HB2 . 11161 1 516 . 1 1 48 48 LEU HB3 H 1 1.774 0.030 . 1 . . . . 48 LEU HB3 . 11161 1 517 . 1 1 48 48 LEU HD11 H 1 1.673 0.030 . 1 . . . . 48 LEU HD1 . 11161 1 518 . 1 1 48 48 LEU HD12 H 1 1.673 0.030 . 1 . . . . 48 LEU HD1 . 11161 1 519 . 1 1 48 48 LEU HD13 H 1 1.673 0.030 . 1 . . . . 48 LEU HD1 . 11161 1 520 . 1 1 48 48 LEU HD21 H 1 0.931 0.030 . 1 . . . . 48 LEU HD2 . 11161 1 521 . 1 1 48 48 LEU HD22 H 1 0.931 0.030 . 1 . . . . 48 LEU HD2 . 11161 1 522 . 1 1 48 48 LEU HD23 H 1 0.931 0.030 . 1 . . . . 48 LEU HD2 . 11161 1 523 . 1 1 48 48 LEU HG H 1 1.668 0.030 . 1 . . . . 48 LEU HG . 11161 1 524 . 1 1 48 48 LEU C C 13 179.760 0.300 . 1 . . . . 48 LEU C . 11161 1 525 . 1 1 48 48 LEU CA C 13 57.824 0.300 . 1 . . . . 48 LEU CA . 11161 1 526 . 1 1 48 48 LEU CB C 13 41.796 0.300 . 1 . . . . 48 LEU CB . 11161 1 527 . 1 1 48 48 LEU CD1 C 13 27.104 0.300 . 2 . . . . 48 LEU CD1 . 11161 1 528 . 1 1 48 48 LEU CD2 C 13 24.244 0.300 . 2 . . . . 48 LEU CD2 . 11161 1 529 . 1 1 48 48 LEU CG C 13 27.141 0.300 . 1 . . . . 48 LEU CG . 11161 1 530 . 1 1 48 48 LEU N N 15 121.106 0.300 . 1 . . . . 48 LEU N . 11161 1 531 . 1 1 49 49 ASN H H 1 8.089 0.030 . 1 . . . . 49 ASN H . 11161 1 532 . 1 1 49 49 ASN HA H 1 4.226 0.030 . 1 . . . . 49 ASN HA . 11161 1 533 . 1 1 49 49 ASN HB2 H 1 2.697 0.030 . 2 . . . . 49 ASN HB2 . 11161 1 534 . 1 1 49 49 ASN HB3 H 1 2.838 0.030 . 2 . . . . 49 ASN HB3 . 11161 1 535 . 1 1 49 49 ASN HD21 H 1 8.045 0.030 . 2 . . . . 49 ASN HD21 . 11161 1 536 . 1 1 49 49 ASN HD22 H 1 7.282 0.030 . 2 . . . . 49 ASN HD22 . 11161 1 537 . 1 1 49 49 ASN C C 13 176.907 0.300 . 1 . . . . 49 ASN C . 11161 1 538 . 1 1 49 49 ASN CA C 13 58.053 0.300 . 1 . . . . 49 ASN CA . 11161 1 539 . 1 1 49 49 ASN CB C 13 40.994 0.300 . 1 . . . . 49 ASN CB . 11161 1 540 . 1 1 49 49 ASN N N 15 119.750 0.300 . 1 . . . . 49 ASN N . 11161 1 541 . 1 1 49 49 ASN ND2 N 15 112.582 0.300 . 1 . . . . 49 ASN ND2 . 11161 1 542 . 1 1 50 50 TYR H H 1 8.838 0.030 . 1 . . . . 50 TYR H . 11161 1 543 . 1 1 50 50 TYR HA H 1 4.146 0.030 . 1 . . . . 50 TYR HA . 11161 1 544 . 1 1 50 50 TYR HB2 H 1 2.944 0.030 . 2 . . . . 50 TYR HB2 . 11161 1 545 . 1 1 50 50 TYR HB3 H 1 3.602 0.030 . 2 . . . . 50 TYR HB3 . 11161 1 546 . 1 1 50 50 TYR HD1 H 1 6.709 0.030 . 1 . . . . 50 TYR HD1 . 11161 1 547 . 1 1 50 50 TYR HD2 H 1 6.709 0.030 . 1 . . . . 50 TYR HD2 . 11161 1 548 . 1 1 50 50 TYR HE1 H 1 6.425 0.030 . 1 . . . . 50 TYR HE1 . 11161 1 549 . 1 1 50 50 TYR HE2 H 1 6.425 0.030 . 1 . . . . 50 TYR HE2 . 11161 1 550 . 1 1 50 50 TYR C C 13 177.269 0.300 . 1 . . . . 50 TYR C . 11161 1 551 . 1 1 50 50 TYR CA C 13 61.048 0.300 . 1 . . . . 50 TYR CA . 11161 1 552 . 1 1 50 50 TYR CB C 13 38.582 0.300 . 1 . . . . 50 TYR CB . 11161 1 553 . 1 1 50 50 TYR CD1 C 13 133.094 0.300 . 1 . . . . 50 TYR CD1 . 11161 1 554 . 1 1 50 50 TYR CD2 C 13 133.094 0.300 . 1 . . . . 50 TYR CD2 . 11161 1 555 . 1 1 50 50 TYR CE1 C 13 117.685 0.300 . 1 . . . . 50 TYR CE1 . 11161 1 556 . 1 1 50 50 TYR CE2 C 13 117.685 0.300 . 1 . . . . 50 TYR CE2 . 11161 1 557 . 1 1 50 50 TYR N N 15 120.736 0.300 . 1 . . . . 50 TYR N . 11161 1 558 . 1 1 51 51 GLU H H 1 7.843 0.030 . 1 . . . . 51 GLU H . 11161 1 559 . 1 1 51 51 GLU HA H 1 3.668 0.030 . 1 . . . . 51 GLU HA . 11161 1 560 . 1 1 51 51 GLU HB2 H 1 2.031 0.030 . 2 . . . . 51 GLU HB2 . 11161 1 561 . 1 1 51 51 GLU HB3 H 1 2.074 0.030 . 2 . . . . 51 GLU HB3 . 11161 1 562 . 1 1 51 51 GLU HG2 H 1 2.518 0.030 . 2 . . . . 51 GLU HG2 . 11161 1 563 . 1 1 51 51 GLU HG3 H 1 2.273 0.030 . 2 . . . . 51 GLU HG3 . 11161 1 564 . 1 1 51 51 GLU C C 13 178.394 0.300 . 1 . . . . 51 GLU C . 11161 1 565 . 1 1 51 51 GLU CA C 13 58.686 0.300 . 1 . . . . 51 GLU CA . 11161 1 566 . 1 1 51 51 GLU CB C 13 29.637 0.300 . 1 . . . . 51 GLU CB . 11161 1 567 . 1 1 51 51 GLU CG C 13 36.480 0.300 . 1 . . . . 51 GLU CG . 11161 1 568 . 1 1 51 51 GLU N N 15 115.463 0.300 . 1 . . . . 51 GLU N . 11161 1 569 . 1 1 52 52 SER H H 1 7.552 0.030 . 1 . . . . 52 SER H . 11161 1 570 . 1 1 52 52 SER HA H 1 4.455 0.030 . 1 . . . . 52 SER HA . 11161 1 571 . 1 1 52 52 SER HB2 H 1 3.909 0.030 . 1 . . . . 52 SER HB2 . 11161 1 572 . 1 1 52 52 SER HB3 H 1 3.909 0.030 . 1 . . . . 52 SER HB3 . 11161 1 573 . 1 1 52 52 SER C C 13 173.848 0.300 . 1 . . . . 52 SER C . 11161 1 574 . 1 1 52 52 SER CA C 13 59.189 0.300 . 1 . . . . 52 SER CA . 11161 1 575 . 1 1 52 52 SER CB C 13 64.141 0.300 . 1 . . . . 52 SER CB . 11161 1 576 . 1 1 52 52 SER N N 15 111.141 0.300 . 1 . . . . 52 SER N . 11161 1 577 . 1 1 53 53 ASN H H 1 7.546 0.030 . 1 . . . . 53 ASN H . 11161 1 578 . 1 1 53 53 ASN HA H 1 4.863 0.030 . 1 . . . . 53 ASN HA . 11161 1 579 . 1 1 53 53 ASN HB2 H 1 2.589 0.030 . 2 . . . . 53 ASN HB2 . 11161 1 580 . 1 1 53 53 ASN HB3 H 1 2.749 0.030 . 2 . . . . 53 ASN HB3 . 11161 1 581 . 1 1 53 53 ASN HD21 H 1 6.984 0.030 . 2 . . . . 53 ASN HD21 . 11161 1 582 . 1 1 53 53 ASN HD22 H 1 7.689 0.030 . 2 . . . . 53 ASN HD22 . 11161 1 583 . 1 1 53 53 ASN C C 13 173.264 0.300 . 1 . . . . 53 ASN C . 11161 1 584 . 1 1 53 53 ASN CA C 13 52.836 0.300 . 1 . . . . 53 ASN CA . 11161 1 585 . 1 1 53 53 ASN CB C 13 40.330 0.300 . 1 . . . . 53 ASN CB . 11161 1 586 . 1 1 53 53 ASN N N 15 120.836 0.300 . 1 . . . . 53 ASN N . 11161 1 587 . 1 1 53 53 ASN ND2 N 15 115.343 0.300 . 1 . . . . 53 ASN ND2 . 11161 1 588 . 1 1 54 54 ARG H H 1 7.914 0.030 . 1 . . . . 54 ARG H . 11161 1 589 . 1 1 54 54 ARG HA H 1 4.241 0.030 . 1 . . . . 54 ARG HA . 11161 1 590 . 1 1 54 54 ARG HB2 H 1 1.444 0.030 . 2 . . . . 54 ARG HB2 . 11161 1 591 . 1 1 54 54 ARG HB3 H 1 1.494 0.030 . 2 . . . . 54 ARG HB3 . 11161 1 592 . 1 1 54 54 ARG HD2 H 1 2.861 0.030 . 2 . . . . 54 ARG HD2 . 11161 1 593 . 1 1 54 54 ARG HD3 H 1 2.775 0.030 . 2 . . . . 54 ARG HD3 . 11161 1 594 . 1 1 54 54 ARG HG2 H 1 1.338 0.030 . 1 . . . . 54 ARG HG2 . 11161 1 595 . 1 1 54 54 ARG HG3 H 1 1.338 0.030 . 1 . . . . 54 ARG HG3 . 11161 1 596 . 1 1 54 54 ARG C C 13 176.082 0.300 . 1 . . . . 54 ARG C . 11161 1 597 . 1 1 54 54 ARG CA C 13 56.079 0.300 . 1 . . . . 54 ARG CA . 11161 1 598 . 1 1 54 54 ARG CB C 13 30.755 0.300 . 1 . . . . 54 ARG CB . 11161 1 599 . 1 1 54 54 ARG CD C 13 43.395 0.300 . 1 . . . . 54 ARG CD . 11161 1 600 . 1 1 54 54 ARG CG C 13 26.199 0.300 . 1 . . . . 54 ARG CG . 11161 1 601 . 1 1 54 54 ARG N N 15 119.718 0.300 . 1 . . . . 54 ARG N . 11161 1 602 . 1 1 55 55 ASN H H 1 8.532 0.030 . 1 . . . . 55 ASN H . 11161 1 603 . 1 1 55 55 ASN HA H 1 4.934 0.030 . 1 . . . . 55 ASN HA . 11161 1 604 . 1 1 55 55 ASN HB2 H 1 2.854 0.030 . 1 . . . . 55 ASN HB2 . 11161 1 605 . 1 1 55 55 ASN HB3 H 1 2.854 0.030 . 1 . . . . 55 ASN HB3 . 11161 1 606 . 1 1 55 55 ASN HD21 H 1 7.271 0.030 . 2 . . . . 55 ASN HD21 . 11161 1 607 . 1 1 55 55 ASN HD22 H 1 7.071 0.030 . 2 . . . . 55 ASN HD22 . 11161 1 608 . 1 1 55 55 ASN C C 13 176.818 0.300 . 1 . . . . 55 ASN C . 11161 1 609 . 1 1 55 55 ASN CA C 13 52.272 0.300 . 1 . . . . 55 ASN CA . 11161 1 610 . 1 1 55 55 ASN CB C 13 40.255 0.300 . 1 . . . . 55 ASN CB . 11161 1 611 . 1 1 55 55 ASN N N 15 120.835 0.300 . 1 . . . . 55 ASN N . 11161 1 612 . 1 1 55 55 ASN ND2 N 15 114.068 0.300 . 1 . . . . 55 ASN ND2 . 11161 1 613 . 1 1 56 56 THR HA H 1 4.159 0.030 . 1 . . . . 56 THR HA . 11161 1 614 . 1 1 56 56 THR HB H 1 4.245 0.030 . 1 . . . . 56 THR HB . 11161 1 615 . 1 1 56 56 THR HG21 H 1 1.246 0.030 . 1 . . . . 56 THR HG2 . 11161 1 616 . 1 1 56 56 THR HG22 H 1 1.246 0.030 . 1 . . . . 56 THR HG2 . 11161 1 617 . 1 1 56 56 THR HG23 H 1 1.246 0.030 . 1 . . . . 56 THR HG2 . 11161 1 618 . 1 1 56 56 THR C C 13 174.958 0.300 . 1 . . . . 56 THR C . 11161 1 619 . 1 1 56 56 THR CA C 13 63.905 0.300 . 1 . . . . 56 THR CA . 11161 1 620 . 1 1 56 56 THR CB C 13 69.196 0.300 . 1 . . . . 56 THR CB . 11161 1 621 . 1 1 56 56 THR CG2 C 13 21.812 0.300 . 1 . . . . 56 THR CG2 . 11161 1 622 . 1 1 57 57 ASP H H 1 8.188 0.030 . 1 . . . . 57 ASP H . 11161 1 623 . 1 1 57 57 ASP HA H 1 4.557 0.030 . 1 . . . . 57 ASP HA . 11161 1 624 . 1 1 57 57 ASP HB2 H 1 2.719 0.030 . 2 . . . . 57 ASP HB2 . 11161 1 625 . 1 1 57 57 ASP HB3 H 1 2.840 0.030 . 2 . . . . 57 ASP HB3 . 11161 1 626 . 1 1 57 57 ASP C C 13 176.820 0.300 . 1 . . . . 57 ASP C . 11161 1 627 . 1 1 57 57 ASP CA C 13 54.211 0.300 . 1 . . . . 57 ASP CA . 11161 1 628 . 1 1 57 57 ASP CB C 13 40.586 0.300 . 1 . . . . 57 ASP CB . 11161 1 629 . 1 1 57 57 ASP N N 15 120.228 0.300 . 1 . . . . 57 ASP N . 11161 1 630 . 1 1 58 58 GLY H H 1 8.228 0.030 . 1 . . . . 58 GLY H . 11161 1 631 . 1 1 58 58 GLY HA2 H 1 3.802 0.030 . 2 . . . . 58 GLY HA2 . 11161 1 632 . 1 1 58 58 GLY HA3 H 1 4.257 0.030 . 2 . . . . 58 GLY HA3 . 11161 1 633 . 1 1 58 58 GLY C C 13 175.055 0.300 . 1 . . . . 58 GLY C . 11161 1 634 . 1 1 58 58 GLY CA C 13 45.631 0.300 . 1 . . . . 58 GLY CA . 11161 1 635 . 1 1 58 58 GLY N N 15 107.373 0.300 . 1 . . . . 58 GLY N . 11161 1 636 . 1 1 59 59 LYS H H 1 8.012 0.030 . 1 . . . . 59 LYS H . 11161 1 637 . 1 1 59 59 LYS HA H 1 4.787 0.030 . 1 . . . . 59 LYS HA . 11161 1 638 . 1 1 59 59 LYS HB2 H 1 1.617 0.030 . 2 . . . . 59 LYS HB2 . 11161 1 639 . 1 1 59 59 LYS HB3 H 1 1.823 0.030 . 2 . . . . 59 LYS HB3 . 11161 1 640 . 1 1 59 59 LYS HD2 H 1 1.541 0.030 . 2 . . . . 59 LYS HD2 . 11161 1 641 . 1 1 59 59 LYS HD3 H 1 1.446 0.030 . 2 . . . . 59 LYS HD3 . 11161 1 642 . 1 1 59 59 LYS HE2 H 1 2.891 0.030 . 1 . . . . 59 LYS HE2 . 11161 1 643 . 1 1 59 59 LYS HE3 H 1 2.891 0.030 . 1 . . . . 59 LYS HE3 . 11161 1 644 . 1 1 59 59 LYS HG2 H 1 1.027 0.030 . 2 . . . . 59 LYS HG2 . 11161 1 645 . 1 1 59 59 LYS HG3 H 1 1.387 0.030 . 2 . . . . 59 LYS HG3 . 11161 1 646 . 1 1 59 59 LYS C C 13 176.995 0.300 . 1 . . . . 59 LYS C . 11161 1 647 . 1 1 59 59 LYS CA C 13 56.361 0.300 . 1 . . . . 59 LYS CA . 11161 1 648 . 1 1 59 59 LYS CB C 13 33.714 0.300 . 1 . . . . 59 LYS CB . 11161 1 649 . 1 1 59 59 LYS CD C 13 29.575 0.300 . 1 . . . . 59 LYS CD . 11161 1 650 . 1 1 59 59 LYS CE C 13 42.269 0.300 . 1 . . . . 59 LYS CE . 11161 1 651 . 1 1 59 59 LYS CG C 13 25.876 0.300 . 1 . . . . 59 LYS CG . 11161 1 652 . 1 1 59 59 LYS N N 15 121.324 0.300 . 1 . . . . 59 LYS N . 11161 1 653 . 1 1 60 60 GLY H H 1 8.059 0.030 . 1 . . . . 60 GLY H . 11161 1 654 . 1 1 60 60 GLY HA2 H 1 3.140 0.030 . 2 . . . . 60 GLY HA2 . 11161 1 655 . 1 1 60 60 GLY HA3 H 1 4.544 0.030 . 2 . . . . 60 GLY HA3 . 11161 1 656 . 1 1 60 60 GLY C C 13 172.481 0.300 . 1 . . . . 60 GLY C . 11161 1 657 . 1 1 60 60 GLY CA C 13 43.746 0.300 . 1 . . . . 60 GLY CA . 11161 1 658 . 1 1 60 60 GLY N N 15 108.353 0.300 . 1 . . . . 60 GLY N . 11161 1 659 . 1 1 61 61 ASN H H 1 8.223 0.030 . 1 . . . . 61 ASN H . 11161 1 660 . 1 1 61 61 ASN HA H 1 4.970 0.030 . 1 . . . . 61 ASN HA . 11161 1 661 . 1 1 61 61 ASN HB2 H 1 2.154 0.030 . 2 . . . . 61 ASN HB2 . 11161 1 662 . 1 1 61 61 ASN HB3 H 1 2.443 0.030 . 2 . . . . 61 ASN HB3 . 11161 1 663 . 1 1 61 61 ASN HD21 H 1 6.972 0.030 . 2 . . . . 61 ASN HD21 . 11161 1 664 . 1 1 61 61 ASN HD22 H 1 7.252 0.030 . 2 . . . . 61 ASN HD22 . 11161 1 665 . 1 1 61 61 ASN C C 13 174.847 0.300 . 1 . . . . 61 ASN C . 11161 1 666 . 1 1 61 61 ASN CA C 13 52.763 0.300 . 1 . . . . 61 ASN CA . 11161 1 667 . 1 1 61 61 ASN CB C 13 41.013 0.300 . 1 . . . . 61 ASN CB . 11161 1 668 . 1 1 61 61 ASN N N 15 115.544 0.300 . 1 . . . . 61 ASN N . 11161 1 669 . 1 1 61 61 ASN ND2 N 15 111.783 0.300 . 1 . . . . 61 ASN ND2 . 11161 1 670 . 1 1 62 62 CYS H H 1 8.499 0.030 . 1 . . . . 62 CYS H . 11161 1 671 . 1 1 62 62 CYS HA H 1 4.462 0.030 . 1 . . . . 62 CYS HA . 11161 1 672 . 1 1 62 62 CYS HB2 H 1 3.275 0.030 . 2 . . . . 62 CYS HB2 . 11161 1 673 . 1 1 62 62 CYS HB3 H 1 3.342 0.030 . 2 . . . . 62 CYS HB3 . 11161 1 674 . 1 1 62 62 CYS C C 13 176.140 0.300 . 1 . . . . 62 CYS C . 11161 1 675 . 1 1 62 62 CYS CA C 13 57.854 0.300 . 1 . . . . 62 CYS CA . 11161 1 676 . 1 1 62 62 CYS CB C 13 30.954 0.300 . 1 . . . . 62 CYS CB . 11161 1 677 . 1 1 62 62 CYS N N 15 128.259 0.300 . 1 . . . . 62 CYS N . 11161 1 678 . 1 1 63 63 PRO HA H 1 4.420 0.030 . 1 . . . . 63 PRO HA . 11161 1 679 . 1 1 63 63 PRO HB2 H 1 2.289 0.030 . 2 . . . . 63 PRO HB2 . 11161 1 680 . 1 1 63 63 PRO HB3 H 1 1.907 0.030 . 2 . . . . 63 PRO HB3 . 11161 1 681 . 1 1 63 63 PRO HD2 H 1 3.628 0.030 . 2 . . . . 63 PRO HD2 . 11161 1 682 . 1 1 63 63 PRO HD3 H 1 3.864 0.030 . 2 . . . . 63 PRO HD3 . 11161 1 683 . 1 1 63 63 PRO HG2 H 1 1.618 0.030 . 1 . . . . 63 PRO HG2 . 11161 1 684 . 1 1 63 63 PRO HG3 H 1 1.618 0.030 . 1 . . . . 63 PRO HG3 . 11161 1 685 . 1 1 63 63 PRO C C 13 176.756 0.300 . 1 . . . . 63 PRO C . 11161 1 686 . 1 1 63 63 PRO CA C 13 64.575 0.300 . 1 . . . . 63 PRO CA . 11161 1 687 . 1 1 63 63 PRO CB C 13 31.917 0.300 . 1 . . . . 63 PRO CB . 11161 1 688 . 1 1 63 63 PRO CD C 13 50.904 0.300 . 1 . . . . 63 PRO CD . 11161 1 689 . 1 1 63 63 PRO CG C 13 27.371 0.300 . 1 . . . . 63 PRO CG . 11161 1 690 . 1 1 64 64 VAL H H 1 9.449 0.030 . 1 . . . . 64 VAL H . 11161 1 691 . 1 1 64 64 VAL HA H 1 3.859 0.030 . 1 . . . . 64 VAL HA . 11161 1 692 . 1 1 64 64 VAL HB H 1 1.373 0.030 . 1 . . . . 64 VAL HB . 11161 1 693 . 1 1 64 64 VAL HG11 H 1 0.866 0.030 . 1 . . . . 64 VAL HG1 . 11161 1 694 . 1 1 64 64 VAL HG12 H 1 0.866 0.030 . 1 . . . . 64 VAL HG1 . 11161 1 695 . 1 1 64 64 VAL HG13 H 1 0.866 0.030 . 1 . . . . 64 VAL HG1 . 11161 1 696 . 1 1 64 64 VAL HG21 H 1 0.360 0.030 . 1 . . . . 64 VAL HG2 . 11161 1 697 . 1 1 64 64 VAL HG22 H 1 0.360 0.030 . 1 . . . . 64 VAL HG2 . 11161 1 698 . 1 1 64 64 VAL HG23 H 1 0.360 0.030 . 1 . . . . 64 VAL HG2 . 11161 1 699 . 1 1 64 64 VAL C C 13 177.034 0.300 . 1 . . . . 64 VAL C . 11161 1 700 . 1 1 64 64 VAL CA C 13 65.068 0.300 . 1 . . . . 64 VAL CA . 11161 1 701 . 1 1 64 64 VAL CB C 13 32.942 0.300 . 1 . . . . 64 VAL CB . 11161 1 702 . 1 1 64 64 VAL CG1 C 13 21.813 0.300 . 2 . . . . 64 VAL CG1 . 11161 1 703 . 1 1 64 64 VAL CG2 C 13 19.721 0.300 . 2 . . . . 64 VAL CG2 . 11161 1 704 . 1 1 64 64 VAL N N 15 121.891 0.300 . 1 . . . . 64 VAL N . 11161 1 705 . 1 1 65 65 CYS H H 1 8.372 0.030 . 1 . . . . 65 CYS H . 11161 1 706 . 1 1 65 65 CYS HA H 1 4.993 0.030 . 1 . . . . 65 CYS HA . 11161 1 707 . 1 1 65 65 CYS HB2 H 1 2.801 0.030 . 2 . . . . 65 CYS HB2 . 11161 1 708 . 1 1 65 65 CYS HB3 H 1 3.468 0.030 . 2 . . . . 65 CYS HB3 . 11161 1 709 . 1 1 65 65 CYS C C 13 175.793 0.300 . 1 . . . . 65 CYS C . 11161 1 710 . 1 1 65 65 CYS CA C 13 58.617 0.300 . 1 . . . . 65 CYS CA . 11161 1 711 . 1 1 65 65 CYS CB C 13 32.976 0.300 . 1 . . . . 65 CYS CB . 11161 1 712 . 1 1 65 65 CYS N N 15 118.256 0.300 . 1 . . . . 65 CYS N . 11161 1 713 . 1 1 66 66 ARG H H 1 8.282 0.030 . 1 . . . . 66 ARG H . 11161 1 714 . 1 1 66 66 ARG HA H 1 4.062 0.030 . 1 . . . . 66 ARG HA . 11161 1 715 . 1 1 66 66 ARG HB2 H 1 2.085 0.030 . 2 . . . . 66 ARG HB2 . 11161 1 716 . 1 1 66 66 ARG HB3 H 1 2.234 0.030 . 2 . . . . 66 ARG HB3 . 11161 1 717 . 1 1 66 66 ARG HD2 H 1 3.137 0.030 . 2 . . . . 66 ARG HD2 . 11161 1 718 . 1 1 66 66 ARG HD3 H 1 3.179 0.030 . 2 . . . . 66 ARG HD3 . 11161 1 719 . 1 1 66 66 ARG HG2 H 1 1.534 0.030 . 2 . . . . 66 ARG HG2 . 11161 1 720 . 1 1 66 66 ARG HG3 H 1 1.561 0.030 . 2 . . . . 66 ARG HG3 . 11161 1 721 . 1 1 66 66 ARG C C 13 174.882 0.300 . 1 . . . . 66 ARG C . 11161 1 722 . 1 1 66 66 ARG CA C 13 58.265 0.300 . 1 . . . . 66 ARG CA . 11161 1 723 . 1 1 66 66 ARG CB C 13 26.974 0.300 . 1 . . . . 66 ARG CB . 11161 1 724 . 1 1 66 66 ARG CD C 13 42.662 0.300 . 1 . . . . 66 ARG CD . 11161 1 725 . 1 1 66 66 ARG CG C 13 27.343 0.300 . 1 . . . . 66 ARG CG . 11161 1 726 . 1 1 66 66 ARG N N 15 117.329 0.300 . 1 . . . . 66 ARG N . 11161 1 727 . 1 1 67 67 VAL H H 1 8.150 0.030 . 1 . . . . 67 VAL H . 11161 1 728 . 1 1 67 67 VAL HA H 1 4.393 0.030 . 1 . . . . 67 VAL HA . 11161 1 729 . 1 1 67 67 VAL HB H 1 2.283 0.030 . 1 . . . . 67 VAL HB . 11161 1 730 . 1 1 67 67 VAL HG11 H 1 1.206 0.030 . 1 . . . . 67 VAL HG1 . 11161 1 731 . 1 1 67 67 VAL HG12 H 1 1.206 0.030 . 1 . . . . 67 VAL HG1 . 11161 1 732 . 1 1 67 67 VAL HG13 H 1 1.206 0.030 . 1 . . . . 67 VAL HG1 . 11161 1 733 . 1 1 67 67 VAL HG21 H 1 1.197 0.030 . 1 . . . . 67 VAL HG2 . 11161 1 734 . 1 1 67 67 VAL HG22 H 1 1.197 0.030 . 1 . . . . 67 VAL HG2 . 11161 1 735 . 1 1 67 67 VAL HG23 H 1 1.197 0.030 . 1 . . . . 67 VAL HG2 . 11161 1 736 . 1 1 67 67 VAL C C 13 176.010 0.300 . 1 . . . . 67 VAL C . 11161 1 737 . 1 1 67 67 VAL CA C 13 62.284 0.300 . 1 . . . . 67 VAL CA . 11161 1 738 . 1 1 67 67 VAL CB C 13 32.743 0.300 . 1 . . . . 67 VAL CB . 11161 1 739 . 1 1 67 67 VAL CG1 C 13 23.961 0.300 . 2 . . . . 67 VAL CG1 . 11161 1 740 . 1 1 67 67 VAL CG2 C 13 20.726 0.300 . 2 . . . . 67 VAL CG2 . 11161 1 741 . 1 1 67 67 VAL N N 15 124.809 0.300 . 1 . . . . 67 VAL N . 11161 1 742 . 1 1 68 68 PRO HA H 1 5.562 0.030 . 1 . . . . 68 PRO HA . 11161 1 743 . 1 1 68 68 PRO HB2 H 1 1.764 0.030 . 2 . . . . 68 PRO HB2 . 11161 1 744 . 1 1 68 68 PRO HB3 H 1 2.186 0.030 . 2 . . . . 68 PRO HB3 . 11161 1 745 . 1 1 68 68 PRO HD2 H 1 3.757 0.030 . 2 . . . . 68 PRO HD2 . 11161 1 746 . 1 1 68 68 PRO HD3 H 1 4.131 0.030 . 2 . . . . 68 PRO HD3 . 11161 1 747 . 1 1 68 68 PRO HG2 H 1 1.997 0.030 . 2 . . . . 68 PRO HG2 . 11161 1 748 . 1 1 68 68 PRO HG3 H 1 2.106 0.030 . 2 . . . . 68 PRO HG3 . 11161 1 749 . 1 1 68 68 PRO CA C 13 62.671 0.300 . 1 . . . . 68 PRO CA . 11161 1 750 . 1 1 68 68 PRO CB C 13 33.071 0.300 . 1 . . . . 68 PRO CB . 11161 1 751 . 1 1 68 68 PRO CD C 13 52.034 0.300 . 1 . . . . 68 PRO CD . 11161 1 752 . 1 1 68 68 PRO CG C 13 27.787 0.300 . 1 . . . . 68 PRO CG . 11161 1 753 . 1 1 69 69 TYR H H 1 8.633 0.030 . 1 . . . . 69 TYR H . 11161 1 754 . 1 1 69 69 TYR HA H 1 5.380 0.030 . 1 . . . . 69 TYR HA . 11161 1 755 . 1 1 69 69 TYR HB2 H 1 3.448 0.030 . 2 . . . . 69 TYR HB2 . 11161 1 756 . 1 1 69 69 TYR HB3 H 1 2.975 0.030 . 2 . . . . 69 TYR HB3 . 11161 1 757 . 1 1 69 69 TYR HD1 H 1 6.811 0.030 . 1 . . . . 69 TYR HD1 . 11161 1 758 . 1 1 69 69 TYR HD2 H 1 6.811 0.030 . 1 . . . . 69 TYR HD2 . 11161 1 759 . 1 1 69 69 TYR HE1 H 1 6.415 0.030 . 1 . . . . 69 TYR HE1 . 11161 1 760 . 1 1 69 69 TYR HE2 H 1 6.415 0.030 . 1 . . . . 69 TYR HE2 . 11161 1 761 . 1 1 69 69 TYR CA C 13 54.042 0.300 . 1 . . . . 69 TYR CA . 11161 1 762 . 1 1 69 69 TYR CB C 13 39.666 0.300 . 1 . . . . 69 TYR CB . 11161 1 763 . 1 1 69 69 TYR CD1 C 13 134.202 0.300 . 1 . . . . 69 TYR CD1 . 11161 1 764 . 1 1 69 69 TYR CD2 C 13 134.202 0.300 . 1 . . . . 69 TYR CD2 . 11161 1 765 . 1 1 69 69 TYR CE1 C 13 115.888 0.300 . 1 . . . . 69 TYR CE1 . 11161 1 766 . 1 1 69 69 TYR CE2 C 13 115.888 0.300 . 1 . . . . 69 TYR CE2 . 11161 1 767 . 1 1 69 69 TYR N N 15 119.435 0.300 . 1 . . . . 69 TYR N . 11161 1 768 . 1 1 70 70 PRO HA H 1 4.801 0.030 . 1 . . . . 70 PRO HA . 11161 1 769 . 1 1 70 70 PRO HB2 H 1 1.945 0.030 . 2 . . . . 70 PRO HB2 . 11161 1 770 . 1 1 70 70 PRO HB3 H 1 2.281 0.030 . 2 . . . . 70 PRO HB3 . 11161 1 771 . 1 1 70 70 PRO HD2 H 1 3.967 0.030 . 2 . . . . 70 PRO HD2 . 11161 1 772 . 1 1 70 70 PRO HD3 H 1 3.866 0.030 . 2 . . . . 70 PRO HD3 . 11161 1 773 . 1 1 70 70 PRO HG2 H 1 1.966 0.030 . 2 . . . . 70 PRO HG2 . 11161 1 774 . 1 1 70 70 PRO HG3 H 1 2.231 0.030 . 2 . . . . 70 PRO HG3 . 11161 1 775 . 1 1 70 70 PRO C C 13 176.475 0.300 . 1 . . . . 70 PRO C . 11161 1 776 . 1 1 70 70 PRO CA C 13 61.021 0.300 . 1 . . . . 70 PRO CA . 11161 1 777 . 1 1 70 70 PRO CB C 13 30.844 0.300 . 1 . . . . 70 PRO CB . 11161 1 778 . 1 1 70 70 PRO CD C 13 51.006 0.300 . 1 . . . . 70 PRO CD . 11161 1 779 . 1 1 70 70 PRO CG C 13 28.207 0.300 . 1 . . . . 70 PRO CG . 11161 1 780 . 1 1 71 71 PHE H H 1 8.912 0.030 . 1 . . . . 71 PHE H . 11161 1 781 . 1 1 71 71 PHE HA H 1 3.953 0.030 . 1 . . . . 71 PHE HA . 11161 1 782 . 1 1 71 71 PHE HB2 H 1 2.440 0.030 . 2 . . . . 71 PHE HB2 . 11161 1 783 . 1 1 71 71 PHE HB3 H 1 2.608 0.030 . 2 . . . . 71 PHE HB3 . 11161 1 784 . 1 1 71 71 PHE HD1 H 1 6.787 0.030 . 1 . . . . 71 PHE HD1 . 11161 1 785 . 1 1 71 71 PHE HD2 H 1 6.787 0.030 . 1 . . . . 71 PHE HD2 . 11161 1 786 . 1 1 71 71 PHE HE1 H 1 7.122 0.030 . 1 . . . . 71 PHE HE1 . 11161 1 787 . 1 1 71 71 PHE HE2 H 1 7.122 0.030 . 1 . . . . 71 PHE HE2 . 11161 1 788 . 1 1 71 71 PHE HZ H 1 7.280 0.030 . 1 . . . . 71 PHE HZ . 11161 1 789 . 1 1 71 71 PHE C C 13 177.645 0.300 . 1 . . . . 71 PHE C . 11161 1 790 . 1 1 71 71 PHE CA C 13 62.034 0.300 . 1 . . . . 71 PHE CA . 11161 1 791 . 1 1 71 71 PHE CB C 13 39.144 0.300 . 1 . . . . 71 PHE CB . 11161 1 792 . 1 1 71 71 PHE CD1 C 13 132.023 0.300 . 1 . . . . 71 PHE CD1 . 11161 1 793 . 1 1 71 71 PHE CD2 C 13 132.023 0.300 . 1 . . . . 71 PHE CD2 . 11161 1 794 . 1 1 71 71 PHE CE1 C 13 130.701 0.300 . 1 . . . . 71 PHE CE1 . 11161 1 795 . 1 1 71 71 PHE CE2 C 13 130.701 0.300 . 1 . . . . 71 PHE CE2 . 11161 1 796 . 1 1 71 71 PHE CZ C 13 129.394 0.300 . 1 . . . . 71 PHE CZ . 11161 1 797 . 1 1 71 71 PHE N N 15 131.063 0.300 . 1 . . . . 71 PHE N . 11161 1 798 . 1 1 72 72 GLY H H 1 8.950 0.030 . 1 . . . . 72 GLY H . 11161 1 799 . 1 1 72 72 GLY HA2 H 1 3.825 0.030 . 2 . . . . 72 GLY HA2 . 11161 1 800 . 1 1 72 72 GLY HA3 H 1 3.919 0.030 . 2 . . . . 72 GLY HA3 . 11161 1 801 . 1 1 72 72 GLY C C 13 173.971 0.300 . 1 . . . . 72 GLY C . 11161 1 802 . 1 1 72 72 GLY CA C 13 45.638 0.300 . 1 . . . . 72 GLY CA . 11161 1 803 . 1 1 72 72 GLY N N 15 103.739 0.300 . 1 . . . . 72 GLY N . 11161 1 804 . 1 1 73 73 ASN H H 1 7.704 0.030 . 1 . . . . 73 ASN H . 11161 1 805 . 1 1 73 73 ASN HA H 1 4.866 0.030 . 1 . . . . 73 ASN HA . 11161 1 806 . 1 1 73 73 ASN HB2 H 1 2.741 0.030 . 2 . . . . 73 ASN HB2 . 11161 1 807 . 1 1 73 73 ASN HB3 H 1 3.167 0.030 . 2 . . . . 73 ASN HB3 . 11161 1 808 . 1 1 73 73 ASN HD21 H 1 6.914 0.030 . 2 . . . . 73 ASN HD21 . 11161 1 809 . 1 1 73 73 ASN HD22 H 1 8.291 0.030 . 2 . . . . 73 ASN HD22 . 11161 1 810 . 1 1 73 73 ASN C C 13 175.690 0.300 . 1 . . . . 73 ASN C . 11161 1 811 . 1 1 73 73 ASN CA C 13 52.237 0.300 . 1 . . . . 73 ASN CA . 11161 1 812 . 1 1 73 73 ASN CB C 13 39.262 0.300 . 1 . . . . 73 ASN CB . 11161 1 813 . 1 1 73 73 ASN N N 15 117.358 0.300 . 1 . . . . 73 ASN N . 11161 1 814 . 1 1 73 73 ASN ND2 N 15 112.305 0.300 . 1 . . . . 73 ASN ND2 . 11161 1 815 . 1 1 74 74 LEU H H 1 7.063 0.030 . 1 . . . . 74 LEU H . 11161 1 816 . 1 1 74 74 LEU HA H 1 4.307 0.030 . 1 . . . . 74 LEU HA . 11161 1 817 . 1 1 74 74 LEU HB2 H 1 1.511 0.030 . 2 . . . . 74 LEU HB2 . 11161 1 818 . 1 1 74 74 LEU HB3 H 1 0.824 0.030 . 2 . . . . 74 LEU HB3 . 11161 1 819 . 1 1 74 74 LEU HD11 H 1 0.382 0.030 . 1 . . . . 74 LEU HD1 . 11161 1 820 . 1 1 74 74 LEU HD12 H 1 0.382 0.030 . 1 . . . . 74 LEU HD1 . 11161 1 821 . 1 1 74 74 LEU HD13 H 1 0.382 0.030 . 1 . . . . 74 LEU HD1 . 11161 1 822 . 1 1 74 74 LEU HD21 H 1 0.513 0.030 . 1 . . . . 74 LEU HD2 . 11161 1 823 . 1 1 74 74 LEU HD22 H 1 0.513 0.030 . 1 . . . . 74 LEU HD2 . 11161 1 824 . 1 1 74 74 LEU HD23 H 1 0.513 0.030 . 1 . . . . 74 LEU HD2 . 11161 1 825 . 1 1 74 74 LEU HG H 1 1.616 0.030 . 1 . . . . 74 LEU HG . 11161 1 826 . 1 1 74 74 LEU C C 13 177.219 0.300 . 1 . . . . 74 LEU C . 11161 1 827 . 1 1 74 74 LEU CA C 13 55.826 0.300 . 1 . . . . 74 LEU CA . 11161 1 828 . 1 1 74 74 LEU CB C 13 42.306 0.300 . 1 . . . . 74 LEU CB . 11161 1 829 . 1 1 74 74 LEU CD1 C 13 26.702 0.300 . 2 . . . . 74 LEU CD1 . 11161 1 830 . 1 1 74 74 LEU CD2 C 13 22.699 0.300 . 2 . . . . 74 LEU CD2 . 11161 1 831 . 1 1 74 74 LEU CG C 13 26.520 0.300 . 1 . . . . 74 LEU CG . 11161 1 832 . 1 1 74 74 LEU N N 15 120.797 0.300 . 1 . . . . 74 LEU N . 11161 1 833 . 1 1 75 75 LYS H H 1 8.524 0.030 . 1 . . . . 75 LYS H . 11161 1 834 . 1 1 75 75 LYS HA H 1 4.935 0.030 . 1 . . . . 75 LYS HA . 11161 1 835 . 1 1 75 75 LYS HB2 H 1 1.774 0.030 . 1 . . . . 75 LYS HB2 . 11161 1 836 . 1 1 75 75 LYS HB3 H 1 1.774 0.030 . 1 . . . . 75 LYS HB3 . 11161 1 837 . 1 1 75 75 LYS HD2 H 1 1.664 0.030 . 1 . . . . 75 LYS HD2 . 11161 1 838 . 1 1 75 75 LYS HD3 H 1 1.664 0.030 . 1 . . . . 75 LYS HD3 . 11161 1 839 . 1 1 75 75 LYS HE2 H 1 2.987 0.030 . 1 . . . . 75 LYS HE2 . 11161 1 840 . 1 1 75 75 LYS HE3 H 1 2.987 0.030 . 1 . . . . 75 LYS HE3 . 11161 1 841 . 1 1 75 75 LYS HG2 H 1 1.450 0.030 . 1 . . . . 75 LYS HG2 . 11161 1 842 . 1 1 75 75 LYS HG3 H 1 1.450 0.030 . 1 . . . . 75 LYS HG3 . 11161 1 843 . 1 1 75 75 LYS C C 13 173.744 0.300 . 1 . . . . 75 LYS C . 11161 1 844 . 1 1 75 75 LYS CA C 13 53.021 0.300 . 1 . . . . 75 LYS CA . 11161 1 845 . 1 1 75 75 LYS CB C 13 34.048 0.300 . 1 . . . . 75 LYS CB . 11161 1 846 . 1 1 75 75 LYS CD C 13 29.136 0.300 . 1 . . . . 75 LYS CD . 11161 1 847 . 1 1 75 75 LYS CE C 13 42.166 0.300 . 1 . . . . 75 LYS CE . 11161 1 848 . 1 1 75 75 LYS CG C 13 23.700 0.300 . 1 . . . . 75 LYS CG . 11161 1 849 . 1 1 75 75 LYS N N 15 123.426 0.300 . 1 . . . . 75 LYS N . 11161 1 850 . 1 1 76 76 PRO HA H 1 4.699 0.030 . 1 . . . . 76 PRO HA . 11161 1 851 . 1 1 76 76 PRO HB2 H 1 1.844 0.030 . 2 . . . . 76 PRO HB2 . 11161 1 852 . 1 1 76 76 PRO HB3 H 1 2.307 0.030 . 2 . . . . 76 PRO HB3 . 11161 1 853 . 1 1 76 76 PRO HD2 H 1 3.840 0.030 . 2 . . . . 76 PRO HD2 . 11161 1 854 . 1 1 76 76 PRO HD3 H 1 3.683 0.030 . 2 . . . . 76 PRO HD3 . 11161 1 855 . 1 1 76 76 PRO HG2 H 1 2.082 0.030 . 2 . . . . 76 PRO HG2 . 11161 1 856 . 1 1 76 76 PRO HG3 H 1 1.941 0.030 . 2 . . . . 76 PRO HG3 . 11161 1 857 . 1 1 76 76 PRO C C 13 176.336 0.300 . 1 . . . . 76 PRO C . 11161 1 858 . 1 1 76 76 PRO CA C 13 62.931 0.300 . 1 . . . . 76 PRO CA . 11161 1 859 . 1 1 76 76 PRO CB C 13 32.165 0.300 . 1 . . . . 76 PRO CB . 11161 1 860 . 1 1 76 76 PRO CD C 13 50.736 0.300 . 1 . . . . 76 PRO CD . 11161 1 861 . 1 1 76 76 PRO CG C 13 27.558 0.300 . 1 . . . . 76 PRO CG . 11161 1 862 . 1 1 77 77 ASN H H 1 8.130 0.030 . 1 . . . . 77 ASN H . 11161 1 863 . 1 1 77 77 ASN HA H 1 4.700 0.030 . 1 . . . . 77 ASN HA . 11161 1 864 . 1 1 77 77 ASN HB2 H 1 2.469 0.030 . 2 . . . . 77 ASN HB2 . 11161 1 865 . 1 1 77 77 ASN HB3 H 1 2.660 0.030 . 2 . . . . 77 ASN HB3 . 11161 1 866 . 1 1 77 77 ASN HD21 H 1 6.885 0.030 . 2 . . . . 77 ASN HD21 . 11161 1 867 . 1 1 77 77 ASN HD22 H 1 7.321 0.030 . 2 . . . . 77 ASN HD22 . 11161 1 868 . 1 1 77 77 ASN C C 13 174.894 0.300 . 1 . . . . 77 ASN C . 11161 1 869 . 1 1 77 77 ASN CA C 13 52.377 0.300 . 1 . . . . 77 ASN CA . 11161 1 870 . 1 1 77 77 ASN CB C 13 38.436 0.300 . 1 . . . . 77 ASN CB . 11161 1 871 . 1 1 77 77 ASN N N 15 121.491 0.300 . 1 . . . . 77 ASN N . 11161 1 872 . 1 1 77 77 ASN ND2 N 15 110.527 0.300 . 1 . . . . 77 ASN ND2 . 11161 1 873 . 1 1 78 78 LEU H H 1 8.286 0.030 . 1 . . . . 78 LEU H . 11161 1 874 . 1 1 78 78 LEU HA H 1 4.278 0.030 . 1 . . . . 78 LEU HA . 11161 1 875 . 1 1 78 78 LEU HB2 H 1 1.510 0.030 . 1 . . . . 78 LEU HB2 . 11161 1 876 . 1 1 78 78 LEU HB3 H 1 1.510 0.030 . 1 . . . . 78 LEU HB3 . 11161 1 877 . 1 1 78 78 LEU HD11 H 1 0.887 0.030 . 1 . . . . 78 LEU HD1 . 11161 1 878 . 1 1 78 78 LEU HD12 H 1 0.887 0.030 . 1 . . . . 78 LEU HD1 . 11161 1 879 . 1 1 78 78 LEU HD13 H 1 0.887 0.030 . 1 . . . . 78 LEU HD1 . 11161 1 880 . 1 1 78 78 LEU HD21 H 1 0.807 0.030 . 1 . . . . 78 LEU HD2 . 11161 1 881 . 1 1 78 78 LEU HD22 H 1 0.807 0.030 . 1 . . . . 78 LEU HD2 . 11161 1 882 . 1 1 78 78 LEU HD23 H 1 0.807 0.030 . 1 . . . . 78 LEU HD2 . 11161 1 883 . 1 1 78 78 LEU HG H 1 1.519 0.030 . 1 . . . . 78 LEU HG . 11161 1 884 . 1 1 78 78 LEU C C 13 177.070 0.300 . 1 . . . . 78 LEU C . 11161 1 885 . 1 1 78 78 LEU CA C 13 55.092 0.300 . 1 . . . . 78 LEU CA . 11161 1 886 . 1 1 78 78 LEU CB C 13 42.090 0.300 . 1 . . . . 78 LEU CB . 11161 1 887 . 1 1 78 78 LEU CD1 C 13 24.932 0.300 . 2 . . . . 78 LEU CD1 . 11161 1 888 . 1 1 78 78 LEU CD2 C 13 23.249 0.300 . 2 . . . . 78 LEU CD2 . 11161 1 889 . 1 1 78 78 LEU CG C 13 27.071 0.300 . 1 . . . . 78 LEU CG . 11161 1 890 . 1 1 78 78 LEU N N 15 123.264 0.300 . 1 . . . . 78 LEU N . 11161 1 891 . 1 1 79 79 HIS H H 1 8.348 0.030 . 1 . . . . 79 HIS H . 11161 1 892 . 1 1 79 79 HIS HA H 1 4.604 0.030 . 1 . . . . 79 HIS HA . 11161 1 893 . 1 1 79 79 HIS HB2 H 1 3.068 0.030 . 2 . . . . 79 HIS HB2 . 11161 1 894 . 1 1 79 79 HIS HB3 H 1 3.134 0.030 . 2 . . . . 79 HIS HB3 . 11161 1 895 . 1 1 79 79 HIS HD2 H 1 7.036 0.030 . 1 . . . . 79 HIS HD2 . 11161 1 896 . 1 1 79 79 HIS HE1 H 1 8.022 0.030 . 1 . . . . 79 HIS HE1 . 11161 1 897 . 1 1 79 79 HIS C C 13 175.164 0.300 . 1 . . . . 79 HIS C . 11161 1 898 . 1 1 79 79 HIS CA C 13 56.326 0.300 . 1 . . . . 79 HIS CA . 11161 1 899 . 1 1 79 79 HIS CB C 13 30.161 0.300 . 1 . . . . 79 HIS CB . 11161 1 900 . 1 1 79 79 HIS CD2 C 13 119.947 0.300 . 1 . . . . 79 HIS CD2 . 11161 1 901 . 1 1 79 79 HIS CE1 C 13 137.837 0.300 . 1 . . . . 79 HIS CE1 . 11161 1 902 . 1 1 79 79 HIS N N 15 120.161 0.300 . 1 . . . . 79 HIS N . 11161 1 903 . 1 1 80 80 VAL H H 1 7.811 0.030 . 1 . . . . 80 VAL H . 11161 1 904 . 1 1 80 80 VAL HA H 1 4.026 0.030 . 1 . . . . 80 VAL HA . 11161 1 905 . 1 1 80 80 VAL HB H 1 1.975 0.030 . 1 . . . . 80 VAL HB . 11161 1 906 . 1 1 80 80 VAL HG11 H 1 0.876 0.030 . 1 . . . . 80 VAL HG1 . 11161 1 907 . 1 1 80 80 VAL HG12 H 1 0.876 0.030 . 1 . . . . 80 VAL HG1 . 11161 1 908 . 1 1 80 80 VAL HG13 H 1 0.876 0.030 . 1 . . . . 80 VAL HG1 . 11161 1 909 . 1 1 80 80 VAL HG21 H 1 0.849 0.030 . 1 . . . . 80 VAL HG2 . 11161 1 910 . 1 1 80 80 VAL HG22 H 1 0.849 0.030 . 1 . . . . 80 VAL HG2 . 11161 1 911 . 1 1 80 80 VAL HG23 H 1 0.849 0.030 . 1 . . . . 80 VAL HG2 . 11161 1 912 . 1 1 80 80 VAL C C 13 175.459 0.300 . 1 . . . . 80 VAL C . 11161 1 913 . 1 1 80 80 VAL CA C 13 62.180 0.300 . 1 . . . . 80 VAL CA . 11161 1 914 . 1 1 80 80 VAL CB C 13 32.639 0.300 . 1 . . . . 80 VAL CB . 11161 1 915 . 1 1 80 80 VAL CG1 C 13 21.294 0.300 . 2 . . . . 80 VAL CG1 . 11161 1 916 . 1 1 80 80 VAL CG2 C 13 20.524 0.300 . 2 . . . . 80 VAL CG2 . 11161 1 917 . 1 1 80 80 VAL N N 15 121.024 0.300 . 1 . . . . 80 VAL N . 11161 1 918 . 1 1 81 81 ALA H H 1 8.287 0.030 . 1 . . . . 81 ALA H . 11161 1 919 . 1 1 81 81 ALA HA H 1 4.266 0.030 . 1 . . . . 81 ALA HA . 11161 1 920 . 1 1 81 81 ALA HB1 H 1 1.364 0.030 . 1 . . . . 81 ALA HB . 11161 1 921 . 1 1 81 81 ALA HB2 H 1 1.364 0.030 . 1 . . . . 81 ALA HB . 11161 1 922 . 1 1 81 81 ALA HB3 H 1 1.364 0.030 . 1 . . . . 81 ALA HB . 11161 1 923 . 1 1 81 81 ALA C C 13 177.139 0.300 . 1 . . . . 81 ALA C . 11161 1 924 . 1 1 81 81 ALA CA C 13 52.520 0.300 . 1 . . . . 81 ALA CA . 11161 1 925 . 1 1 81 81 ALA CB C 13 19.411 0.300 . 1 . . . . 81 ALA CB . 11161 1 926 . 1 1 81 81 ALA N N 15 126.925 0.300 . 1 . . . . 81 ALA N . 11161 1 927 . 1 1 82 82 ASN H H 1 8.310 0.030 . 1 . . . . 82 ASN H . 11161 1 928 . 1 1 82 82 ASN HA H 1 4.683 0.030 . 1 . . . . 82 ASN HA . 11161 1 929 . 1 1 82 82 ASN HB2 H 1 2.712 0.030 . 2 . . . . 82 ASN HB2 . 11161 1 930 . 1 1 82 82 ASN HB3 H 1 2.784 0.030 . 2 . . . . 82 ASN HB3 . 11161 1 931 . 1 1 82 82 ASN HD21 H 1 6.890 0.030 . 2 . . . . 82 ASN HD21 . 11161 1 932 . 1 1 82 82 ASN HD22 H 1 7.597 0.030 . 2 . . . . 82 ASN HD22 . 11161 1 933 . 1 1 82 82 ASN C C 13 174.892 0.300 . 1 . . . . 82 ASN C . 11161 1 934 . 1 1 82 82 ASN CA C 13 53.259 0.300 . 1 . . . . 82 ASN CA . 11161 1 935 . 1 1 82 82 ASN CB C 13 38.953 0.300 . 1 . . . . 82 ASN CB . 11161 1 936 . 1 1 82 82 ASN N N 15 117.874 0.300 . 1 . . . . 82 ASN N . 11161 1 937 . 1 1 82 82 ASN ND2 N 15 112.883 0.300 . 1 . . . . 82 ASN ND2 . 11161 1 938 . 1 1 83 83 ILE H H 1 8.073 0.030 . 1 . . . . 83 ILE H . 11161 1 939 . 1 1 83 83 ILE HA H 1 4.179 0.030 . 1 . . . . 83 ILE HA . 11161 1 940 . 1 1 83 83 ILE HB H 1 1.849 0.030 . 1 . . . . 83 ILE HB . 11161 1 941 . 1 1 83 83 ILE HD11 H 1 0.828 0.030 . 1 . . . . 83 ILE HD1 . 11161 1 942 . 1 1 83 83 ILE HD12 H 1 0.828 0.030 . 1 . . . . 83 ILE HD1 . 11161 1 943 . 1 1 83 83 ILE HD13 H 1 0.828 0.030 . 1 . . . . 83 ILE HD1 . 11161 1 944 . 1 1 83 83 ILE HG12 H 1 1.446 0.030 . 2 . . . . 83 ILE HG12 . 11161 1 945 . 1 1 83 83 ILE HG13 H 1 1.141 0.030 . 2 . . . . 83 ILE HG13 . 11161 1 946 . 1 1 83 83 ILE HG21 H 1 0.875 0.030 . 1 . . . . 83 ILE HG2 . 11161 1 947 . 1 1 83 83 ILE HG22 H 1 0.875 0.030 . 1 . . . . 83 ILE HG2 . 11161 1 948 . 1 1 83 83 ILE HG23 H 1 0.875 0.030 . 1 . . . . 83 ILE HG2 . 11161 1 949 . 1 1 83 83 ILE C C 13 175.961 0.300 . 1 . . . . 83 ILE C . 11161 1 950 . 1 1 83 83 ILE CA C 13 61.199 0.300 . 1 . . . . 83 ILE CA . 11161 1 951 . 1 1 83 83 ILE CB C 13 38.666 0.300 . 1 . . . . 83 ILE CB . 11161 1 952 . 1 1 83 83 ILE CD1 C 13 12.925 0.300 . 1 . . . . 83 ILE CD1 . 11161 1 953 . 1 1 83 83 ILE CG1 C 13 27.197 0.300 . 1 . . . . 83 ILE CG1 . 11161 1 954 . 1 1 83 83 ILE CG2 C 13 17.600 0.300 . 1 . . . . 83 ILE CG2 . 11161 1 955 . 1 1 83 83 ILE N N 15 121.398 0.300 . 1 . . . . 83 ILE N . 11161 1 956 . 1 1 84 84 VAL H H 1 8.213 0.030 . 1 . . . . 84 VAL H . 11161 1 957 . 1 1 84 84 VAL HA H 1 4.152 0.030 . 1 . . . . 84 VAL HA . 11161 1 958 . 1 1 84 84 VAL HB H 1 2.076 0.030 . 1 . . . . 84 VAL HB . 11161 1 959 . 1 1 84 84 VAL HG11 H 1 0.928 0.030 . 1 . . . . 84 VAL HG1 . 11161 1 960 . 1 1 84 84 VAL HG12 H 1 0.928 0.030 . 1 . . . . 84 VAL HG1 . 11161 1 961 . 1 1 84 84 VAL HG13 H 1 0.928 0.030 . 1 . . . . 84 VAL HG1 . 11161 1 962 . 1 1 84 84 VAL HG21 H 1 0.917 0.030 . 1 . . . . 84 VAL HG2 . 11161 1 963 . 1 1 84 84 VAL HG22 H 1 0.917 0.030 . 1 . . . . 84 VAL HG2 . 11161 1 964 . 1 1 84 84 VAL HG23 H 1 0.917 0.030 . 1 . . . . 84 VAL HG2 . 11161 1 965 . 1 1 84 84 VAL C C 13 175.137 0.300 . 1 . . . . 84 VAL C . 11161 1 966 . 1 1 84 84 VAL CA C 13 62.248 0.300 . 1 . . . . 84 VAL CA . 11161 1 967 . 1 1 84 84 VAL CB C 13 32.970 0.300 . 1 . . . . 84 VAL CB . 11161 1 968 . 1 1 84 84 VAL CG1 C 13 21.273 0.300 . 2 . . . . 84 VAL CG1 . 11161 1 969 . 1 1 84 84 VAL CG2 C 13 20.481 0.300 . 2 . . . . 84 VAL CG2 . 11161 1 970 . 1 1 84 84 VAL N N 15 124.898 0.300 . 1 . . . . 84 VAL N . 11161 1 971 . 1 1 85 85 GLU H H 1 8.028 0.030 . 1 . . . . 85 GLU H . 11161 1 972 . 1 1 85 85 GLU HA H 1 4.122 0.030 . 1 . . . . 85 GLU HA . 11161 1 973 . 1 1 85 85 GLU HB2 H 1 2.007 0.030 . 2 . . . . 85 GLU HB2 . 11161 1 974 . 1 1 85 85 GLU HB3 H 1 1.882 0.030 . 2 . . . . 85 GLU HB3 . 11161 1 975 . 1 1 85 85 GLU HG2 H 1 2.177 0.030 . 1 . . . . 85 GLU HG2 . 11161 1 976 . 1 1 85 85 GLU HG3 H 1 2.177 0.030 . 1 . . . . 85 GLU HG3 . 11161 1 977 . 1 1 85 85 GLU C C 13 180.934 0.300 . 1 . . . . 85 GLU C . 11161 1 978 . 1 1 85 85 GLU CA C 13 58.089 0.300 . 1 . . . . 85 GLU CA . 11161 1 979 . 1 1 85 85 GLU CB C 13 31.336 0.300 . 1 . . . . 85 GLU CB . 11161 1 980 . 1 1 85 85 GLU CG C 13 36.631 0.300 . 1 . . . . 85 GLU CG . 11161 1 981 . 1 1 85 85 GLU N N 15 130.243 0.300 . 1 . . . . 85 GLU N . 11161 1 stop_ save_