data_11085 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11085 _Entry.Title ; Solution structure of the CH domain of human NEDD9 interacting protein with calponin homology and LIM domains ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-12-28 _Entry.Accession_date 2009-12-28 _Entry.Last_release_date 2011-01-04 _Entry.Original_release_date 2011-01-04 _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 T. Tomizawa . . . 11085 2 T. Kigawa . . . 11085 3 S. Koshiba . . . 11085 4 M. Inoue . . . 11085 5 S. Yokoyama . . . 11085 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)' . 11085 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11085 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 472 11085 '15N chemical shifts' 112 11085 '1H chemical shifts' 740 11085 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 . . 2011-01-04 2009-12-28 original author . 11085 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WYL 'BMRB Entry Tracking System' 11085 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11085 _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 CH domain of human NEDD9 interacting protein with calponin homology and LIM domains ; _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 T. Tomizawa . . . 11085 1 2 T. Kigawa . . . 11085 1 3 S. Koshiba . . . 11085 1 4 M. Inoue . . . 11085 1 5 S. Yokoyama . . . 11085 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11085 _Assembly.ID 1 _Assembly.Name 'NEDD9 interacting protein with calponin homology and LIM domains' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'CH domain' 1 $entity_1 A . yes native no no . . . 11085 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 1wyl . . . . . . 11085 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11085 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'CH domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGTQEELLRWCQEQT AGYPGVHVSDLSSSWADGLA LCALVYRLQPGLLEPSELQG LGALEATAWALKVAENELGI TPVVSAQAVVAGSDPLGLIA YLSHFHSAFKSGPSSG ; _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 116 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 1WYL . "Solution Structure Of The Ch Domain Of Human Nedd9 Interacting Protein With Calponin Homology And Lim Domains" . . . . . 100.00 116 100.00 100.00 2.76e-74 . . . . 11085 1 2 no PDB 2DK9 . "Solution Structure Of Calponin Homology Domain Of Human Mical-1" . . . . . 93.10 118 99.07 100.00 1.18e-68 . . . . 11085 1 3 no DBJ BAB13949 . "unnamed protein product [Homo sapiens]" . . . . . 94.83 1067 97.27 100.00 8.26e-63 . . . . 11085 1 4 no DBJ BAB15124 . "unnamed protein product [Homo sapiens]" . . . . . 94.83 1067 97.27 100.00 8.35e-63 . . . . 11085 1 5 no DBJ BAB86289 . "CasL interacting molecule MICAL [Homo sapiens]" . . . . . 94.83 1067 97.27 100.00 8.35e-63 . . . . 11085 1 6 no DBJ BAD18727 . "FLJ00407 protein [Homo sapiens]" . . . . . 91.38 591 99.06 100.00 2.14e-63 . . . . 11085 1 7 no DBJ BAH12301 . "unnamed protein product [Homo sapiens]" . . . . . 94.83 1086 97.27 100.00 9.63e-63 . . . . 11085 1 8 no EMBL CAB59266 . "hypothetical protein [Homo sapiens]" . . . . . 94.83 646 97.27 100.00 9.89e-65 . . . . 11085 1 9 no GB AAH09972 . "MICAL1 protein [Homo sapiens]" . . . . . 94.83 981 97.27 100.00 4.00e-63 . . . . 11085 1 10 no GB AAH42144 . "Microtubule associated monoxygenase, calponin and LIM domain containing 1 [Homo sapiens]" . . . . . 94.83 1067 97.27 100.00 8.02e-63 . . . . 11085 1 11 no GB AAH52983 . "Microtubule associated monoxygenase, calponin and LIM domain containing 1 [Homo sapiens]" . . . . . 94.83 1067 97.27 100.00 8.02e-63 . . . . 11085 1 12 no GB AIC63549 . "MICAL1, partial [synthetic construct]" . . . . . 94.83 981 97.27 100.00 4.00e-63 . . . . 11085 1 13 no GB EAW48341 . "microtubule associated monoxygenase, calponin and LIM domain containing 1, isoform CRA_c [Homo sapiens]" . . . . . 94.83 981 97.27 100.00 3.84e-63 . . . . 11085 1 14 no REF NP_001152763 . "protein-methionine sulfoxide oxidase MICAL1 isoform 2 [Homo sapiens]" . . . . . 94.83 981 97.27 100.00 3.84e-63 . . . . 11085 1 15 no REF NP_001273542 . "protein-methionine sulfoxide oxidase MICAL1 isoform 3 [Homo sapiens]" . . . . . 94.83 1086 97.27 100.00 1.05e-62 . . . . 11085 1 16 no REF NP_073602 . "protein-methionine sulfoxide oxidase MICAL1 isoform 1 [Homo sapiens]" . . . . . 94.83 1067 97.27 100.00 8.02e-63 . . . . 11085 1 17 no REF XP_011905848 . "PREDICTED: protein-methionine sulfoxide oxidase MICAL1 isoform X1 [Cercocebus atys]" . . . . . 88.79 1086 97.09 99.03 1.72e-57 . . . . 11085 1 18 no REF XP_011905849 . "PREDICTED: protein-methionine sulfoxide oxidase MICAL1 isoform X1 [Cercocebus atys]" . . . . . 88.79 1086 97.09 99.03 1.72e-57 . . . . 11085 1 19 no SP Q8TDZ2 . "RecName: Full=Protein-methionine sulfoxide oxidase MICAL1; AltName: Full=Molecule interacting with CasL protein 1; Short=MICAL-" . . . . . 94.83 1067 97.27 100.00 8.02e-63 . . . . 11085 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 . 11085 1 2 . SER . 11085 1 3 . SER . 11085 1 4 . GLY . 11085 1 5 . SER . 11085 1 6 . SER . 11085 1 7 . GLY . 11085 1 8 . THR . 11085 1 9 . GLN . 11085 1 10 . GLU . 11085 1 11 . GLU . 11085 1 12 . LEU . 11085 1 13 . LEU . 11085 1 14 . ARG . 11085 1 15 . TRP . 11085 1 16 . CYS . 11085 1 17 . GLN . 11085 1 18 . GLU . 11085 1 19 . GLN . 11085 1 20 . THR . 11085 1 21 . ALA . 11085 1 22 . GLY . 11085 1 23 . TYR . 11085 1 24 . PRO . 11085 1 25 . GLY . 11085 1 26 . VAL . 11085 1 27 . HIS . 11085 1 28 . VAL . 11085 1 29 . SER . 11085 1 30 . ASP . 11085 1 31 . LEU . 11085 1 32 . SER . 11085 1 33 . SER . 11085 1 34 . SER . 11085 1 35 . TRP . 11085 1 36 . ALA . 11085 1 37 . ASP . 11085 1 38 . GLY . 11085 1 39 . LEU . 11085 1 40 . ALA . 11085 1 41 . LEU . 11085 1 42 . CYS . 11085 1 43 . ALA . 11085 1 44 . LEU . 11085 1 45 . VAL . 11085 1 46 . TYR . 11085 1 47 . ARG . 11085 1 48 . LEU . 11085 1 49 . GLN . 11085 1 50 . PRO . 11085 1 51 . GLY . 11085 1 52 . LEU . 11085 1 53 . LEU . 11085 1 54 . GLU . 11085 1 55 . PRO . 11085 1 56 . SER . 11085 1 57 . GLU . 11085 1 58 . LEU . 11085 1 59 . GLN . 11085 1 60 . GLY . 11085 1 61 . LEU . 11085 1 62 . GLY . 11085 1 63 . ALA . 11085 1 64 . LEU . 11085 1 65 . GLU . 11085 1 66 . ALA . 11085 1 67 . THR . 11085 1 68 . ALA . 11085 1 69 . TRP . 11085 1 70 . ALA . 11085 1 71 . LEU . 11085 1 72 . LYS . 11085 1 73 . VAL . 11085 1 74 . ALA . 11085 1 75 . GLU . 11085 1 76 . ASN . 11085 1 77 . GLU . 11085 1 78 . LEU . 11085 1 79 . GLY . 11085 1 80 . ILE . 11085 1 81 . THR . 11085 1 82 . PRO . 11085 1 83 . VAL . 11085 1 84 . VAL . 11085 1 85 . SER . 11085 1 86 . ALA . 11085 1 87 . GLN . 11085 1 88 . ALA . 11085 1 89 . VAL . 11085 1 90 . VAL . 11085 1 91 . ALA . 11085 1 92 . GLY . 11085 1 93 . SER . 11085 1 94 . ASP . 11085 1 95 . PRO . 11085 1 96 . LEU . 11085 1 97 . GLY . 11085 1 98 . LEU . 11085 1 99 . ILE . 11085 1 100 . ALA . 11085 1 101 . TYR . 11085 1 102 . LEU . 11085 1 103 . SER . 11085 1 104 . HIS . 11085 1 105 . PHE . 11085 1 106 . HIS . 11085 1 107 . SER . 11085 1 108 . ALA . 11085 1 109 . PHE . 11085 1 110 . LYS . 11085 1 111 . SER . 11085 1 112 . GLY . 11085 1 113 . PRO . 11085 1 114 . SER . 11085 1 115 . SER . 11085 1 116 . GLY . 11085 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 11085 1 . SER 2 2 11085 1 . SER 3 3 11085 1 . GLY 4 4 11085 1 . SER 5 5 11085 1 . SER 6 6 11085 1 . GLY 7 7 11085 1 . THR 8 8 11085 1 . GLN 9 9 11085 1 . GLU 10 10 11085 1 . GLU 11 11 11085 1 . LEU 12 12 11085 1 . LEU 13 13 11085 1 . ARG 14 14 11085 1 . TRP 15 15 11085 1 . CYS 16 16 11085 1 . GLN 17 17 11085 1 . GLU 18 18 11085 1 . GLN 19 19 11085 1 . THR 20 20 11085 1 . ALA 21 21 11085 1 . GLY 22 22 11085 1 . TYR 23 23 11085 1 . PRO 24 24 11085 1 . GLY 25 25 11085 1 . VAL 26 26 11085 1 . HIS 27 27 11085 1 . VAL 28 28 11085 1 . SER 29 29 11085 1 . ASP 30 30 11085 1 . LEU 31 31 11085 1 . SER 32 32 11085 1 . SER 33 33 11085 1 . SER 34 34 11085 1 . TRP 35 35 11085 1 . ALA 36 36 11085 1 . ASP 37 37 11085 1 . GLY 38 38 11085 1 . LEU 39 39 11085 1 . ALA 40 40 11085 1 . LEU 41 41 11085 1 . CYS 42 42 11085 1 . ALA 43 43 11085 1 . LEU 44 44 11085 1 . VAL 45 45 11085 1 . TYR 46 46 11085 1 . ARG 47 47 11085 1 . LEU 48 48 11085 1 . GLN 49 49 11085 1 . PRO 50 50 11085 1 . GLY 51 51 11085 1 . LEU 52 52 11085 1 . LEU 53 53 11085 1 . GLU 54 54 11085 1 . PRO 55 55 11085 1 . SER 56 56 11085 1 . GLU 57 57 11085 1 . LEU 58 58 11085 1 . GLN 59 59 11085 1 . GLY 60 60 11085 1 . LEU 61 61 11085 1 . GLY 62 62 11085 1 . ALA 63 63 11085 1 . LEU 64 64 11085 1 . GLU 65 65 11085 1 . ALA 66 66 11085 1 . THR 67 67 11085 1 . ALA 68 68 11085 1 . TRP 69 69 11085 1 . ALA 70 70 11085 1 . LEU 71 71 11085 1 . LYS 72 72 11085 1 . VAL 73 73 11085 1 . ALA 74 74 11085 1 . GLU 75 75 11085 1 . ASN 76 76 11085 1 . GLU 77 77 11085 1 . LEU 78 78 11085 1 . GLY 79 79 11085 1 . ILE 80 80 11085 1 . THR 81 81 11085 1 . PRO 82 82 11085 1 . VAL 83 83 11085 1 . VAL 84 84 11085 1 . SER 85 85 11085 1 . ALA 86 86 11085 1 . GLN 87 87 11085 1 . ALA 88 88 11085 1 . VAL 89 89 11085 1 . VAL 90 90 11085 1 . ALA 91 91 11085 1 . GLY 92 92 11085 1 . SER 93 93 11085 1 . ASP 94 94 11085 1 . PRO 95 95 11085 1 . LEU 96 96 11085 1 . GLY 97 97 11085 1 . LEU 98 98 11085 1 . ILE 99 99 11085 1 . ALA 100 100 11085 1 . TYR 101 101 11085 1 . LEU 102 102 11085 1 . SER 103 103 11085 1 . HIS 104 104 11085 1 . PHE 105 105 11085 1 . HIS 106 106 11085 1 . SER 107 107 11085 1 . ALA 108 108 11085 1 . PHE 109 109 11085 1 . LYS 110 110 11085 1 . SER 111 111 11085 1 . GLY 112 112 11085 1 . PRO 113 113 11085 1 . SER 114 114 11085 1 . SER 115 115 11085 1 . GLY 116 116 11085 1 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 11085 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11085 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 11085 _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 . . . . . . . . . . . . . . . . P040315-92 . . . . . . 11085 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11085 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.22mM CH domain [U-15N,13C], 20mM d-Tris-HCl, 100mM NaCl, 1mM d-DTT, 0.02% NaN3, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O, 10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CH domain' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . protein 1.22 . . mM . . . . 11085 1 2 TRIS '[U-100% 2H]' . . . . . buffer 20 . . mM . . . . 11085 1 3 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 11085 1 4 DTT '[U-100% 2H]' . . . . . salt 1 . . mM . . . . 11085 1 5 'sodium azide' 'natural abundance' . . . . . salt 0.02 . . % . . . . 11085 1 6 D2O . . . . . . solvent 10 . . % . . . . 11085 1 7 H2O . . . . . . solvent 90 . . % . . . . 11085 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 11085 _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 11085 1 pH 7.0 0.05 pH 11085 1 pressure 1 0.001 atm 11085 1 temperature 296 0.1 K 11085 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11085 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11085 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11085 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11085 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11085 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11085 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11085 _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.' . . 11085 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11085 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11085 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9295 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11085 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11085 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11085 _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.' . . 11085 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11085 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 11085 _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 11085 _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 . . . 11085 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 11085 _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 1H-15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11085 1 2 '3D 1H-13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11085 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 11085 _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 . . . . . . . . . 11085 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11085 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11085 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 11085 _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 1H-15N-separated NOESY' 1 $sample_1 isotropic 11085 1 2 '3D 1H-13C-separated NOESY' 1 $sample_1 isotropic 11085 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 . . 11085 1 2 $NMRPipe . . 11085 1 3 $NMRview . . 11085 1 4 $Kujira . . 11085 1 5 $CYANA . . 11085 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 4.406 0.030 . 1 . . . . 6 SER HA . 11085 1 2 . 1 1 6 6 SER HB2 H 1 3.795 0.030 . 2 . . . . 6 SER HB2 . 11085 1 3 . 1 1 6 6 SER C C 13 172.780 0.300 . 1 . . . . 6 SER C . 11085 1 4 . 1 1 6 6 SER CA C 13 56.479 0.300 . 1 . . . . 6 SER CA . 11085 1 5 . 1 1 6 6 SER CB C 13 61.210 0.300 . 1 . . . . 6 SER CB . 11085 1 6 . 1 1 7 7 GLY H H 1 8.398 0.030 . 1 . . . . 7 GLY H . 11085 1 7 . 1 1 7 7 GLY HA2 H 1 3.954 0.030 . 1 . . . . 7 GLY HA2 . 11085 1 8 . 1 1 7 7 GLY HA3 H 1 3.954 0.030 . 1 . . . . 7 GLY HA3 . 11085 1 9 . 1 1 7 7 GLY C C 13 172.731 0.300 . 1 . . . . 7 GLY C . 11085 1 10 . 1 1 7 7 GLY CA C 13 43.302 0.300 . 1 . . . . 7 GLY CA . 11085 1 11 . 1 1 7 7 GLY N N 15 110.610 0.300 . 1 . . . . 7 GLY N . 11085 1 12 . 1 1 8 8 THR H H 1 8.079 0.030 . 1 . . . . 8 THR H . 11085 1 13 . 1 1 8 8 THR HA H 1 4.261 0.030 . 1 . . . . 8 THR HA . 11085 1 14 . 1 1 8 8 THR HB H 1 4.361 0.030 . 1 . . . . 8 THR HB . 11085 1 15 . 1 1 8 8 THR HG21 H 1 1.159 0.030 . 1 . . . . 8 THR HG2 . 11085 1 16 . 1 1 8 8 THR HG22 H 1 1.159 0.030 . 1 . . . . 8 THR HG2 . 11085 1 17 . 1 1 8 8 THR HG23 H 1 1.159 0.030 . 1 . . . . 8 THR HG2 . 11085 1 18 . 1 1 8 8 THR C C 13 174.002 0.300 . 1 . . . . 8 THR C . 11085 1 19 . 1 1 8 8 THR CA C 13 60.204 0.300 . 1 . . . . 8 THR CA . 11085 1 20 . 1 1 8 8 THR CB C 13 67.686 0.300 . 1 . . . . 8 THR CB . 11085 1 21 . 1 1 8 8 THR CG2 C 13 19.465 0.300 . 1 . . . . 8 THR CG2 . 11085 1 22 . 1 1 8 8 THR N N 15 112.781 0.300 . 1 . . . . 8 THR N . 11085 1 23 . 1 1 9 9 GLN H H 1 8.644 0.030 . 1 . . . . 9 GLN H . 11085 1 24 . 1 1 9 9 GLN HA H 1 3.936 0.030 . 1 . . . . 9 GLN HA . 11085 1 25 . 1 1 9 9 GLN HB2 H 1 2.028 0.030 . 2 . . . . 9 GLN HB2 . 11085 1 26 . 1 1 9 9 GLN HB3 H 1 1.899 0.030 . 2 . . . . 9 GLN HB3 . 11085 1 27 . 1 1 9 9 GLN HE21 H 1 7.418 0.030 . 2 . . . . 9 GLN HE21 . 11085 1 28 . 1 1 9 9 GLN HE22 H 1 6.671 0.030 . 2 . . . . 9 GLN HE22 . 11085 1 29 . 1 1 9 9 GLN HG2 H 1 2.121 0.030 . 2 . . . . 9 GLN HG2 . 11085 1 30 . 1 1 9 9 GLN HG3 H 1 2.359 0.030 . 2 . . . . 9 GLN HG3 . 11085 1 31 . 1 1 9 9 GLN C C 13 175.317 0.300 . 1 . . . . 9 GLN C . 11085 1 32 . 1 1 9 9 GLN CA C 13 56.691 0.300 . 1 . . . . 9 GLN CA . 11085 1 33 . 1 1 9 9 GLN CB C 13 25.448 0.300 . 1 . . . . 9 GLN CB . 11085 1 34 . 1 1 9 9 GLN CG C 13 32.359 0.300 . 1 . . . . 9 GLN CG . 11085 1 35 . 1 1 9 9 GLN NE2 N 15 110.449 0.300 . 1 . . . . 9 GLN NE2 . 11085 1 36 . 1 1 10 10 GLU H H 1 8.331 0.030 . 1 . . . . 10 GLU H . 11085 1 37 . 1 1 10 10 GLU HA H 1 3.898 0.030 . 1 . . . . 10 GLU HA . 11085 1 38 . 1 1 10 10 GLU HB2 H 1 1.902 0.030 . 2 . . . . 10 GLU HB2 . 11085 1 39 . 1 1 10 10 GLU HB3 H 1 2.008 0.030 . 2 . . . . 10 GLU HB3 . 11085 1 40 . 1 1 10 10 GLU HG2 H 1 2.244 0.030 . 1 . . . . 10 GLU HG2 . 11085 1 41 . 1 1 10 10 GLU HG3 H 1 2.244 0.030 . 1 . . . . 10 GLU HG3 . 11085 1 42 . 1 1 10 10 GLU C C 13 176.525 0.300 . 1 . . . . 10 GLU C . 11085 1 43 . 1 1 10 10 GLU CA C 13 57.735 0.300 . 1 . . . . 10 GLU CA . 11085 1 44 . 1 1 10 10 GLU CB C 13 26.877 0.300 . 1 . . . . 10 GLU CB . 11085 1 45 . 1 1 10 10 GLU CG C 13 34.255 0.300 . 1 . . . . 10 GLU CG . 11085 1 46 . 1 1 10 10 GLU N N 15 120.046 0.300 . 1 . . . . 10 GLU N . 11085 1 47 . 1 1 11 11 GLU H H 1 7.873 0.030 . 1 . . . . 11 GLU H . 11085 1 48 . 1 1 11 11 GLU HA H 1 3.964 0.030 . 1 . . . . 11 GLU HA . 11085 1 49 . 1 1 11 11 GLU HB2 H 1 2.004 0.030 . 2 . . . . 11 GLU HB2 . 11085 1 50 . 1 1 11 11 GLU HB3 H 1 1.906 0.030 . 2 . . . . 11 GLU HB3 . 11085 1 51 . 1 1 11 11 GLU HG2 H 1 2.236 0.030 . 2 . . . . 11 GLU HG2 . 11085 1 52 . 1 1 11 11 GLU HG3 H 1 2.202 0.030 . 2 . . . . 11 GLU HG3 . 11085 1 53 . 1 1 11 11 GLU C C 13 176.400 0.300 . 1 . . . . 11 GLU C . 11085 1 54 . 1 1 11 11 GLU CA C 13 56.784 0.300 . 1 . . . . 11 GLU CA . 11085 1 55 . 1 1 11 11 GLU CB C 13 26.959 0.300 . 1 . . . . 11 GLU CB . 11085 1 56 . 1 1 11 11 GLU CG C 13 34.172 0.300 . 1 . . . . 11 GLU CG . 11085 1 57 . 1 1 11 11 GLU N N 15 119.982 0.300 . 1 . . . . 11 GLU N . 11085 1 58 . 1 1 12 12 LEU H H 1 7.800 0.030 . 1 . . . . 12 LEU H . 11085 1 59 . 1 1 12 12 LEU HA H 1 3.601 0.030 . 1 . . . . 12 LEU HA . 11085 1 60 . 1 1 12 12 LEU HB2 H 1 1.832 0.030 . 2 . . . . 12 LEU HB2 . 11085 1 61 . 1 1 12 12 LEU HB3 H 1 1.385 0.030 . 2 . . . . 12 LEU HB3 . 11085 1 62 . 1 1 12 12 LEU HD11 H 1 0.637 0.030 . 1 . . . . 12 LEU HD1 . 11085 1 63 . 1 1 12 12 LEU HD12 H 1 0.637 0.030 . 1 . . . . 12 LEU HD1 . 11085 1 64 . 1 1 12 12 LEU HD13 H 1 0.637 0.030 . 1 . . . . 12 LEU HD1 . 11085 1 65 . 1 1 12 12 LEU HD21 H 1 0.755 0.030 . 1 . . . . 12 LEU HD2 . 11085 1 66 . 1 1 12 12 LEU HD22 H 1 0.755 0.030 . 1 . . . . 12 LEU HD2 . 11085 1 67 . 1 1 12 12 LEU HD23 H 1 0.755 0.030 . 1 . . . . 12 LEU HD2 . 11085 1 68 . 1 1 12 12 LEU HG H 1 1.308 0.030 . 1 . . . . 12 LEU HG . 11085 1 69 . 1 1 12 12 LEU C C 13 176.295 0.300 . 1 . . . . 12 LEU C . 11085 1 70 . 1 1 12 12 LEU CA C 13 55.471 0.300 . 1 . . . . 12 LEU CA . 11085 1 71 . 1 1 12 12 LEU CB C 13 39.213 0.300 . 1 . . . . 12 LEU CB . 11085 1 72 . 1 1 12 12 LEU CD1 C 13 21.229 0.300 . 2 . . . . 12 LEU CD1 . 11085 1 73 . 1 1 12 12 LEU CD2 C 13 24.018 0.300 . 2 . . . . 12 LEU CD2 . 11085 1 74 . 1 1 12 12 LEU CG C 13 24.644 0.300 . 1 . . . . 12 LEU CG . 11085 1 75 . 1 1 12 12 LEU N N 15 121.333 0.300 . 1 . . . . 12 LEU N . 11085 1 76 . 1 1 13 13 LEU H H 1 8.283 0.030 . 1 . . . . 13 LEU H . 11085 1 77 . 1 1 13 13 LEU HA H 1 3.875 0.030 . 1 . . . . 13 LEU HA . 11085 1 78 . 1 1 13 13 LEU HB2 H 1 1.909 0.030 . 2 . . . . 13 LEU HB2 . 11085 1 79 . 1 1 13 13 LEU HB3 H 1 1.278 0.030 . 2 . . . . 13 LEU HB3 . 11085 1 80 . 1 1 13 13 LEU HD11 H 1 0.563 0.030 . 1 . . . . 13 LEU HD1 . 11085 1 81 . 1 1 13 13 LEU HD12 H 1 0.563 0.030 . 1 . . . . 13 LEU HD1 . 11085 1 82 . 1 1 13 13 LEU HD13 H 1 0.563 0.030 . 1 . . . . 13 LEU HD1 . 11085 1 83 . 1 1 13 13 LEU HD21 H 1 0.748 0.030 . 1 . . . . 13 LEU HD2 . 11085 1 84 . 1 1 13 13 LEU HD22 H 1 0.748 0.030 . 1 . . . . 13 LEU HD2 . 11085 1 85 . 1 1 13 13 LEU HD23 H 1 0.748 0.030 . 1 . . . . 13 LEU HD2 . 11085 1 86 . 1 1 13 13 LEU HG H 1 1.202 0.030 . 1 . . . . 13 LEU HG . 11085 1 87 . 1 1 13 13 LEU C C 13 175.516 0.300 . 1 . . . . 13 LEU C . 11085 1 88 . 1 1 13 13 LEU CA C 13 56.645 0.300 . 1 . . . . 13 LEU CA . 11085 1 89 . 1 1 13 13 LEU CB C 13 38.729 0.300 . 1 . . . . 13 LEU CB . 11085 1 90 . 1 1 13 13 LEU CD1 C 13 21.337 0.300 . 2 . . . . 13 LEU CD1 . 11085 1 91 . 1 1 13 13 LEU CD2 C 13 23.879 0.300 . 2 . . . . 13 LEU CD2 . 11085 1 92 . 1 1 13 13 LEU CG C 13 24.463 0.300 . 1 . . . . 13 LEU CG . 11085 1 93 . 1 1 13 13 LEU N N 15 119.572 0.300 . 1 . . . . 13 LEU N . 11085 1 94 . 1 1 14 14 ARG H H 1 7.902 0.030 . 1 . . . . 14 ARG H . 11085 1 95 . 1 1 14 14 ARG HA H 1 4.153 0.030 . 1 . . . . 14 ARG HA . 11085 1 96 . 1 1 14 14 ARG HB2 H 1 1.870 0.030 . 1 . . . . 14 ARG HB2 . 11085 1 97 . 1 1 14 14 ARG HB3 H 1 1.870 0.030 . 1 . . . . 14 ARG HB3 . 11085 1 98 . 1 1 14 14 ARG HD2 H 1 3.176 0.030 . 1 . . . . 14 ARG HD2 . 11085 1 99 . 1 1 14 14 ARG HD3 H 1 3.176 0.030 . 1 . . . . 14 ARG HD3 . 11085 1 100 . 1 1 14 14 ARG HG2 H 1 1.610 0.030 . 2 . . . . 14 ARG HG2 . 11085 1 101 . 1 1 14 14 ARG HG3 H 1 1.715 0.030 . 2 . . . . 14 ARG HG3 . 11085 1 102 . 1 1 14 14 ARG C C 13 176.588 0.300 . 1 . . . . 14 ARG C . 11085 1 103 . 1 1 14 14 ARG CA C 13 56.897 0.300 . 1 . . . . 14 ARG CA . 11085 1 104 . 1 1 14 14 ARG CB C 13 27.471 0.300 . 1 . . . . 14 ARG CB . 11085 1 105 . 1 1 14 14 ARG CD C 13 40.878 0.300 . 1 . . . . 14 ARG CD . 11085 1 106 . 1 1 14 14 ARG CG C 13 25.040 0.300 . 1 . . . . 14 ARG CG . 11085 1 107 . 1 1 14 14 ARG N N 15 117.399 0.300 . 1 . . . . 14 ARG N . 11085 1 108 . 1 1 15 15 TRP H H 1 8.266 0.030 . 1 . . . . 15 TRP H . 11085 1 109 . 1 1 15 15 TRP HA H 1 4.247 0.030 . 1 . . . . 15 TRP HA . 11085 1 110 . 1 1 15 15 TRP HB2 H 1 3.224 0.030 . 1 . . . . 15 TRP HB2 . 11085 1 111 . 1 1 15 15 TRP HB3 H 1 3.224 0.030 . 1 . . . . 15 TRP HB3 . 11085 1 112 . 1 1 15 15 TRP HD1 H 1 7.470 0.030 . 1 . . . . 15 TRP HD1 . 11085 1 113 . 1 1 15 15 TRP HE1 H 1 10.168 0.030 . 1 . . . . 15 TRP HE1 . 11085 1 114 . 1 1 15 15 TRP HE3 H 1 7.643 0.030 . 1 . . . . 15 TRP HE3 . 11085 1 115 . 1 1 15 15 TRP HH2 H 1 6.894 0.030 . 1 . . . . 15 TRP HH2 . 11085 1 116 . 1 1 15 15 TRP HZ2 H 1 7.231 0.030 . 1 . . . . 15 TRP HZ2 . 11085 1 117 . 1 1 15 15 TRP HZ3 H 1 6.797 0.030 . 1 . . . . 15 TRP HZ3 . 11085 1 118 . 1 1 15 15 TRP C C 13 176.446 0.300 . 1 . . . . 15 TRP C . 11085 1 119 . 1 1 15 15 TRP CA C 13 60.282 0.300 . 1 . . . . 15 TRP CA . 11085 1 120 . 1 1 15 15 TRP CB C 13 25.888 0.300 . 1 . . . . 15 TRP CB . 11085 1 121 . 1 1 15 15 TRP CD1 C 13 125.310 0.300 . 1 . . . . 15 TRP CD1 . 11085 1 122 . 1 1 15 15 TRP CE3 C 13 119.032 0.300 . 1 . . . . 15 TRP CE3 . 11085 1 123 . 1 1 15 15 TRP CH2 C 13 121.542 0.300 . 1 . . . . 15 TRP CH2 . 11085 1 124 . 1 1 15 15 TRP CZ2 C 13 111.870 0.300 . 1 . . . . 15 TRP CZ2 . 11085 1 125 . 1 1 15 15 TRP CZ3 C 13 118.952 0.300 . 1 . . . . 15 TRP CZ3 . 11085 1 126 . 1 1 15 15 TRP N N 15 120.221 0.300 . 1 . . . . 15 TRP N . 11085 1 127 . 1 1 15 15 TRP NE1 N 15 130.156 0.300 . 1 . . . . 15 TRP NE1 . 11085 1 128 . 1 1 16 16 CYS H H 1 8.782 0.030 . 1 . . . . 16 CYS H . 11085 1 129 . 1 1 16 16 CYS HA H 1 3.588 0.030 . 1 . . . . 16 CYS HA . 11085 1 130 . 1 1 16 16 CYS HB2 H 1 3.421 0.030 . 2 . . . . 16 CYS HB2 . 11085 1 131 . 1 1 16 16 CYS HB3 H 1 2.728 0.030 . 2 . . . . 16 CYS HB3 . 11085 1 132 . 1 1 16 16 CYS C C 13 176.392 0.300 . 1 . . . . 16 CYS C . 11085 1 133 . 1 1 16 16 CYS CA C 13 62.855 0.300 . 1 . . . . 16 CYS CA . 11085 1 134 . 1 1 16 16 CYS CB C 13 25.480 0.300 . 1 . . . . 16 CYS CB . 11085 1 135 . 1 1 16 16 CYS N N 15 116.596 0.300 . 1 . . . . 16 CYS N . 11085 1 136 . 1 1 17 17 GLN H H 1 8.671 0.030 . 1 . . . . 17 GLN H . 11085 1 137 . 1 1 17 17 GLN HA H 1 3.502 0.030 . 1 . . . . 17 GLN HA . 11085 1 138 . 1 1 17 17 GLN HB2 H 1 2.415 0.030 . 2 . . . . 17 GLN HB2 . 11085 1 139 . 1 1 17 17 GLN HB3 H 1 1.788 0.030 . 2 . . . . 17 GLN HB3 . 11085 1 140 . 1 1 17 17 GLN HE21 H 1 7.285 0.030 . 2 . . . . 17 GLN HE21 . 11085 1 141 . 1 1 17 17 GLN HE22 H 1 6.690 0.030 . 2 . . . . 17 GLN HE22 . 11085 1 142 . 1 1 17 17 GLN HG2 H 1 2.259 0.030 . 2 . . . . 17 GLN HG2 . 11085 1 143 . 1 1 17 17 GLN HG3 H 1 2.439 0.030 . 2 . . . . 17 GLN HG3 . 11085 1 144 . 1 1 17 17 GLN C C 13 175.363 0.300 . 1 . . . . 17 GLN C . 11085 1 145 . 1 1 17 17 GLN CA C 13 57.375 0.300 . 1 . . . . 17 GLN CA . 11085 1 146 . 1 1 17 17 GLN CB C 13 25.620 0.300 . 1 . . . . 17 GLN CB . 11085 1 147 . 1 1 17 17 GLN CG C 13 31.984 0.300 . 1 . . . . 17 GLN CG . 11085 1 148 . 1 1 17 17 GLN N N 15 120.481 0.300 . 1 . . . . 17 GLN N . 11085 1 149 . 1 1 17 17 GLN NE2 N 15 109.410 0.300 . 1 . . . . 17 GLN NE2 . 11085 1 150 . 1 1 18 18 GLU H H 1 8.077 0.030 . 1 . . . . 18 GLU H . 11085 1 151 . 1 1 18 18 GLU HA H 1 3.845 0.030 . 1 . . . . 18 GLU HA . 11085 1 152 . 1 1 18 18 GLU HB2 H 1 1.895 0.030 . 2 . . . . 18 GLU HB2 . 11085 1 153 . 1 1 18 18 GLU HB3 H 1 2.035 0.030 . 2 . . . . 18 GLU HB3 . 11085 1 154 . 1 1 18 18 GLU HG2 H 1 2.319 0.030 . 2 . . . . 18 GLU HG2 . 11085 1 155 . 1 1 18 18 GLU HG3 H 1 2.028 0.030 . 2 . . . . 18 GLU HG3 . 11085 1 156 . 1 1 18 18 GLU C C 13 177.356 0.300 . 1 . . . . 18 GLU C . 11085 1 157 . 1 1 18 18 GLU CA C 13 56.859 0.300 . 1 . . . . 18 GLU CA . 11085 1 158 . 1 1 18 18 GLU CB C 13 27.074 0.300 . 1 . . . . 18 GLU CB . 11085 1 159 . 1 1 18 18 GLU CG C 13 34.090 0.300 . 1 . . . . 18 GLU CG . 11085 1 160 . 1 1 18 18 GLU N N 15 119.366 0.300 . 1 . . . . 18 GLU N . 11085 1 161 . 1 1 19 19 GLN H H 1 7.901 0.030 . 1 . . . . 19 GLN H . 11085 1 162 . 1 1 19 19 GLN HA H 1 3.744 0.030 . 1 . . . . 19 GLN HA . 11085 1 163 . 1 1 19 19 GLN HB2 H 1 1.591 0.030 . 2 . . . . 19 GLN HB2 . 11085 1 164 . 1 1 19 19 GLN HB3 H 1 1.033 0.030 . 2 . . . . 19 GLN HB3 . 11085 1 165 . 1 1 19 19 GLN HE21 H 1 5.618 0.030 . 2 . . . . 19 GLN HE21 . 11085 1 166 . 1 1 19 19 GLN HE22 H 1 6.520 0.030 . 2 . . . . 19 GLN HE22 . 11085 1 167 . 1 1 19 19 GLN HG2 H 1 0.448 0.030 . 2 . . . . 19 GLN HG2 . 11085 1 168 . 1 1 19 19 GLN HG3 H 1 1.117 0.030 . 2 . . . . 19 GLN HG3 . 11085 1 169 . 1 1 19 19 GLN C C 13 174.949 0.300 . 1 . . . . 19 GLN C . 11085 1 170 . 1 1 19 19 GLN CA C 13 54.303 0.300 . 1 . . . . 19 GLN CA . 11085 1 171 . 1 1 19 19 GLN CB C 13 26.383 0.300 . 1 . . . . 19 GLN CB . 11085 1 172 . 1 1 19 19 GLN CG C 13 28.908 0.300 . 1 . . . . 19 GLN CG . 11085 1 173 . 1 1 19 19 GLN N N 15 113.526 0.300 . 1 . . . . 19 GLN N . 11085 1 174 . 1 1 19 19 GLN NE2 N 15 111.094 0.300 . 1 . . . . 19 GLN NE2 . 11085 1 175 . 1 1 20 20 THR H H 1 6.945 0.030 . 1 . . . . 20 THR H . 11085 1 176 . 1 1 20 20 THR HA H 1 3.887 0.030 . 1 . . . . 20 THR HA . 11085 1 177 . 1 1 20 20 THR HB H 1 4.058 0.030 . 1 . . . . 20 THR HB . 11085 1 178 . 1 1 20 20 THR HG21 H 1 0.867 0.030 . 1 . . . . 20 THR HG2 . 11085 1 179 . 1 1 20 20 THR HG22 H 1 0.867 0.030 . 1 . . . . 20 THR HG2 . 11085 1 180 . 1 1 20 20 THR HG23 H 1 0.867 0.030 . 1 . . . . 20 THR HG2 . 11085 1 181 . 1 1 20 20 THR C C 13 171.447 0.300 . 1 . . . . 20 THR C . 11085 1 182 . 1 1 20 20 THR CA C 13 59.415 0.300 . 1 . . . . 20 THR CA . 11085 1 183 . 1 1 20 20 THR CB C 13 67.953 0.300 . 1 . . . . 20 THR CB . 11085 1 184 . 1 1 20 20 THR CG2 C 13 18.925 0.300 . 1 . . . . 20 THR CG2 . 11085 1 185 . 1 1 20 20 THR N N 15 102.489 0.300 . 1 . . . . 20 THR N . 11085 1 186 . 1 1 21 21 ALA H H 1 6.785 0.030 . 1 . . . . 21 ALA H . 11085 1 187 . 1 1 21 21 ALA HA H 1 3.997 0.030 . 1 . . . . 21 ALA HA . 11085 1 188 . 1 1 21 21 ALA HB1 H 1 1.293 0.030 . 1 . . . . 21 ALA HB . 11085 1 189 . 1 1 21 21 ALA HB2 H 1 1.293 0.030 . 1 . . . . 21 ALA HB . 11085 1 190 . 1 1 21 21 ALA HB3 H 1 1.293 0.030 . 1 . . . . 21 ALA HB . 11085 1 191 . 1 1 21 21 ALA C C 13 176.870 0.300 . 1 . . . . 21 ALA C . 11085 1 192 . 1 1 21 21 ALA CA C 13 51.456 0.300 . 1 . . . . 21 ALA CA . 11085 1 193 . 1 1 21 21 ALA CB C 13 16.172 0.300 . 1 . . . . 21 ALA CB . 11085 1 194 . 1 1 21 21 ALA N N 15 123.574 0.300 . 1 . . . . 21 ALA N . 11085 1 195 . 1 1 22 22 GLY H H 1 8.646 0.030 . 1 . . . . 22 GLY H . 11085 1 196 . 1 1 22 22 GLY HA2 H 1 4.040 0.030 . 2 . . . . 22 GLY HA2 . 11085 1 197 . 1 1 22 22 GLY HA3 H 1 3.564 0.030 . 2 . . . . 22 GLY HA3 . 11085 1 198 . 1 1 22 22 GLY C C 13 171.661 0.300 . 1 . . . . 22 GLY C . 11085 1 199 . 1 1 22 22 GLY CA C 13 43.073 0.300 . 1 . . . . 22 GLY CA . 11085 1 200 . 1 1 22 22 GLY N N 15 110.843 0.300 . 1 . . . . 22 GLY N . 11085 1 201 . 1 1 23 23 TYR H H 1 7.781 0.030 . 1 . . . . 23 TYR H . 11085 1 202 . 1 1 23 23 TYR HA H 1 4.389 0.030 . 1 . . . . 23 TYR HA . 11085 1 203 . 1 1 23 23 TYR HB2 H 1 2.707 0.030 . 2 . . . . 23 TYR HB2 . 11085 1 204 . 1 1 23 23 TYR HB3 H 1 2.564 0.030 . 2 . . . . 23 TYR HB3 . 11085 1 205 . 1 1 23 23 TYR HD1 H 1 6.812 0.030 . 1 . . . . 23 TYR HD1 . 11085 1 206 . 1 1 23 23 TYR HD2 H 1 6.812 0.030 . 1 . . . . 23 TYR HD2 . 11085 1 207 . 1 1 23 23 TYR HE1 H 1 6.402 0.030 . 1 . . . . 23 TYR HE1 . 11085 1 208 . 1 1 23 23 TYR HE2 H 1 6.402 0.030 . 1 . . . . 23 TYR HE2 . 11085 1 209 . 1 1 23 23 TYR C C 13 171.986 0.300 . 1 . . . . 23 TYR C . 11085 1 210 . 1 1 23 23 TYR CA C 13 54.341 0.300 . 1 . . . . 23 TYR CA . 11085 1 211 . 1 1 23 23 TYR CB C 13 36.691 0.300 . 1 . . . . 23 TYR CB . 11085 1 212 . 1 1 23 23 TYR CD1 C 13 131.216 0.300 . 1 . . . . 23 TYR CD1 . 11085 1 213 . 1 1 23 23 TYR CD2 C 13 131.216 0.300 . 1 . . . . 23 TYR CD2 . 11085 1 214 . 1 1 23 23 TYR CE1 C 13 115.586 0.300 . 1 . . . . 23 TYR CE1 . 11085 1 215 . 1 1 23 23 TYR CE2 C 13 115.586 0.300 . 1 . . . . 23 TYR CE2 . 11085 1 216 . 1 1 23 23 TYR N N 15 125.518 0.300 . 1 . . . . 23 TYR N . 11085 1 217 . 1 1 24 24 PRO HA H 1 4.042 0.030 . 1 . . . . 24 PRO HA . 11085 1 218 . 1 1 24 24 PRO HB2 H 1 1.957 0.030 . 2 . . . . 24 PRO HB2 . 11085 1 219 . 1 1 24 24 PRO HB3 H 1 1.615 0.030 . 2 . . . . 24 PRO HB3 . 11085 1 220 . 1 1 24 24 PRO HD2 H 1 3.371 0.030 . 2 . . . . 24 PRO HD2 . 11085 1 221 . 1 1 24 24 PRO HD3 H 1 2.259 0.030 . 2 . . . . 24 PRO HD3 . 11085 1 222 . 1 1 24 24 PRO HG2 H 1 1.595 0.030 . 1 . . . . 24 PRO HG2 . 11085 1 223 . 1 1 24 24 PRO HG3 H 1 1.595 0.030 . 1 . . . . 24 PRO HG3 . 11085 1 224 . 1 1 24 24 PRO C C 13 174.715 0.300 . 1 . . . . 24 PRO C . 11085 1 225 . 1 1 24 24 PRO CA C 13 61.714 0.300 . 1 . . . . 24 PRO CA . 11085 1 226 . 1 1 24 24 PRO CB C 13 29.032 0.300 . 1 . . . . 24 PRO CB . 11085 1 227 . 1 1 24 24 PRO CD C 13 47.997 0.300 . 1 . . . . 24 PRO CD . 11085 1 228 . 1 1 24 24 PRO CG C 13 25.154 0.300 . 1 . . . . 24 PRO CG . 11085 1 229 . 1 1 25 25 GLY H H 1 8.435 0.030 . 1 . . . . 25 GLY H . 11085 1 230 . 1 1 25 25 GLY HA2 H 1 3.978 0.030 . 2 . . . . 25 GLY HA2 . 11085 1 231 . 1 1 25 25 GLY HA3 H 1 3.520 0.030 . 2 . . . . 25 GLY HA3 . 11085 1 232 . 1 1 25 25 GLY C C 13 171.772 0.300 . 1 . . . . 25 GLY C . 11085 1 233 . 1 1 25 25 GLY CA C 13 42.972 0.300 . 1 . . . . 25 GLY CA . 11085 1 234 . 1 1 25 25 GLY N N 15 109.151 0.300 . 1 . . . . 25 GLY N . 11085 1 235 . 1 1 26 26 VAL H H 1 7.347 0.030 . 1 . . . . 26 VAL H . 11085 1 236 . 1 1 26 26 VAL HA H 1 3.778 0.030 . 1 . . . . 26 VAL HA . 11085 1 237 . 1 1 26 26 VAL HB H 1 1.865 0.030 . 1 . . . . 26 VAL HB . 11085 1 238 . 1 1 26 26 VAL HG11 H 1 0.566 0.030 . 1 . . . . 26 VAL HG1 . 11085 1 239 . 1 1 26 26 VAL HG12 H 1 0.566 0.030 . 1 . . . . 26 VAL HG1 . 11085 1 240 . 1 1 26 26 VAL HG13 H 1 0.566 0.030 . 1 . . . . 26 VAL HG1 . 11085 1 241 . 1 1 26 26 VAL HG21 H 1 0.574 0.030 . 1 . . . . 26 VAL HG2 . 11085 1 242 . 1 1 26 26 VAL HG22 H 1 0.574 0.030 . 1 . . . . 26 VAL HG2 . 11085 1 243 . 1 1 26 26 VAL HG23 H 1 0.574 0.030 . 1 . . . . 26 VAL HG2 . 11085 1 244 . 1 1 26 26 VAL C C 13 172.647 0.300 . 1 . . . . 26 VAL C . 11085 1 245 . 1 1 26 26 VAL CA C 13 59.468 0.300 . 1 . . . . 26 VAL CA . 11085 1 246 . 1 1 26 26 VAL CB C 13 31.161 0.300 . 1 . . . . 26 VAL CB . 11085 1 247 . 1 1 26 26 VAL CG1 C 13 19.005 0.300 . 2 . . . . 26 VAL CG1 . 11085 1 248 . 1 1 26 26 VAL CG2 C 13 21.066 0.300 . 2 . . . . 26 VAL CG2 . 11085 1 249 . 1 1 26 26 VAL N N 15 119.687 0.300 . 1 . . . . 26 VAL N . 11085 1 250 . 1 1 27 27 HIS H H 1 8.731 0.030 . 1 . . . . 27 HIS H . 11085 1 251 . 1 1 27 27 HIS HA H 1 4.391 0.030 . 1 . . . . 27 HIS HA . 11085 1 252 . 1 1 27 27 HIS HB2 H 1 2.864 0.030 . 1 . . . . 27 HIS HB2 . 11085 1 253 . 1 1 27 27 HIS HB3 H 1 2.864 0.030 . 1 . . . . 27 HIS HB3 . 11085 1 254 . 1 1 27 27 HIS HD2 H 1 6.761 0.030 . 1 . . . . 27 HIS HD2 . 11085 1 255 . 1 1 27 27 HIS HE1 H 1 7.823 0.030 . 1 . . . . 27 HIS HE1 . 11085 1 256 . 1 1 27 27 HIS C C 13 171.052 0.300 . 1 . . . . 27 HIS C . 11085 1 257 . 1 1 27 27 HIS CA C 13 53.432 0.300 . 1 . . . . 27 HIS CA . 11085 1 258 . 1 1 27 27 HIS CB C 13 27.989 0.300 . 1 . . . . 27 HIS CB . 11085 1 259 . 1 1 27 27 HIS CD2 C 13 117.865 0.300 . 1 . . . . 27 HIS CD2 . 11085 1 260 . 1 1 27 27 HIS CE1 C 13 135.179 0.300 . 1 . . . . 27 HIS CE1 . 11085 1 261 . 1 1 27 27 HIS N N 15 126.796 0.300 . 1 . . . . 27 HIS N . 11085 1 262 . 1 1 28 28 VAL H H 1 8.700 0.030 . 1 . . . . 28 VAL H . 11085 1 263 . 1 1 28 28 VAL HA H 1 3.494 0.030 . 1 . . . . 28 VAL HA . 11085 1 264 . 1 1 28 28 VAL HB H 1 1.572 0.030 . 1 . . . . 28 VAL HB . 11085 1 265 . 1 1 28 28 VAL HG11 H 1 0.830 0.030 . 1 . . . . 28 VAL HG1 . 11085 1 266 . 1 1 28 28 VAL HG12 H 1 0.830 0.030 . 1 . . . . 28 VAL HG1 . 11085 1 267 . 1 1 28 28 VAL HG13 H 1 0.830 0.030 . 1 . . . . 28 VAL HG1 . 11085 1 268 . 1 1 28 28 VAL HG21 H 1 0.072 0.030 . 1 . . . . 28 VAL HG2 . 11085 1 269 . 1 1 28 28 VAL HG22 H 1 0.072 0.030 . 1 . . . . 28 VAL HG2 . 11085 1 270 . 1 1 28 28 VAL HG23 H 1 0.072 0.030 . 1 . . . . 28 VAL HG2 . 11085 1 271 . 1 1 28 28 VAL C C 13 172.808 0.300 . 1 . . . . 28 VAL C . 11085 1 272 . 1 1 28 28 VAL CA C 13 61.290 0.300 . 1 . . . . 28 VAL CA . 11085 1 273 . 1 1 28 28 VAL CB C 13 29.053 0.300 . 1 . . . . 28 VAL CB . 11085 1 274 . 1 1 28 28 VAL CG1 C 13 19.967 0.300 . 2 . . . . 28 VAL CG1 . 11085 1 275 . 1 1 28 28 VAL CG2 C 13 19.658 0.300 . 2 . . . . 28 VAL CG2 . 11085 1 276 . 1 1 28 28 VAL N N 15 125.965 0.300 . 1 . . . . 28 VAL N . 11085 1 277 . 1 1 29 29 SER H H 1 8.345 0.030 . 1 . . . . 29 SER H . 11085 1 278 . 1 1 29 29 SER HA H 1 4.348 0.030 . 1 . . . . 29 SER HA . 11085 1 279 . 1 1 29 29 SER HB2 H 1 3.861 0.030 . 2 . . . . 29 SER HB2 . 11085 1 280 . 1 1 29 29 SER HB3 H 1 3.429 0.030 . 2 . . . . 29 SER HB3 . 11085 1 281 . 1 1 29 29 SER C C 13 170.332 0.300 . 1 . . . . 29 SER C . 11085 1 282 . 1 1 29 29 SER CA C 13 54.927 0.300 . 1 . . . . 29 SER CA . 11085 1 283 . 1 1 29 29 SER CB C 13 62.543 0.300 . 1 . . . . 29 SER CB . 11085 1 284 . 1 1 29 29 SER N N 15 121.558 0.300 . 1 . . . . 29 SER N . 11085 1 285 . 1 1 30 30 ASP H H 1 7.882 0.030 . 1 . . . . 30 ASP H . 11085 1 286 . 1 1 30 30 ASP HA H 1 4.481 0.030 . 1 . . . . 30 ASP HA . 11085 1 287 . 1 1 30 30 ASP HB2 H 1 3.049 0.030 . 2 . . . . 30 ASP HB2 . 11085 1 288 . 1 1 30 30 ASP HB3 H 1 2.944 0.030 . 2 . . . . 30 ASP HB3 . 11085 1 289 . 1 1 30 30 ASP C C 13 172.339 0.300 . 1 . . . . 30 ASP C . 11085 1 290 . 1 1 30 30 ASP CA C 13 50.819 0.300 . 1 . . . . 30 ASP CA . 11085 1 291 . 1 1 30 30 ASP CB C 13 39.496 0.300 . 1 . . . . 30 ASP CB . 11085 1 292 . 1 1 30 30 ASP N N 15 120.212 0.300 . 1 . . . . 30 ASP N . 11085 1 293 . 1 1 31 31 LEU H H 1 8.147 0.030 . 1 . . . . 31 LEU H . 11085 1 294 . 1 1 31 31 LEU HA H 1 4.752 0.030 . 1 . . . . 31 LEU HA . 11085 1 295 . 1 1 31 31 LEU HB2 H 1 1.638 0.030 . 2 . . . . 31 LEU HB2 . 11085 1 296 . 1 1 31 31 LEU HB3 H 1 1.483 0.030 . 2 . . . . 31 LEU HB3 . 11085 1 297 . 1 1 31 31 LEU HD11 H 1 0.868 0.030 . 1 . . . . 31 LEU HD1 . 11085 1 298 . 1 1 31 31 LEU HD12 H 1 0.868 0.030 . 1 . . . . 31 LEU HD1 . 11085 1 299 . 1 1 31 31 LEU HD13 H 1 0.868 0.030 . 1 . . . . 31 LEU HD1 . 11085 1 300 . 1 1 31 31 LEU HD21 H 1 0.668 0.030 . 1 . . . . 31 LEU HD2 . 11085 1 301 . 1 1 31 31 LEU HD22 H 1 0.668 0.030 . 1 . . . . 31 LEU HD2 . 11085 1 302 . 1 1 31 31 LEU HD23 H 1 0.668 0.030 . 1 . . . . 31 LEU HD2 . 11085 1 303 . 1 1 31 31 LEU HG H 1 1.537 0.030 . 1 . . . . 31 LEU HG . 11085 1 304 . 1 1 31 31 LEU C C 13 172.735 0.300 . 1 . . . . 31 LEU C . 11085 1 305 . 1 1 31 31 LEU CA C 13 51.156 0.300 . 1 . . . . 31 LEU CA . 11085 1 306 . 1 1 31 31 LEU CB C 13 38.583 0.300 . 1 . . . . 31 LEU CB . 11085 1 307 . 1 1 31 31 LEU CD1 C 13 24.144 0.300 . 2 . . . . 31 LEU CD1 . 11085 1 308 . 1 1 31 31 LEU CD2 C 13 20.969 0.300 . 2 . . . . 31 LEU CD2 . 11085 1 309 . 1 1 31 31 LEU CG C 13 24.267 0.300 . 1 . . . . 31 LEU CG . 11085 1 310 . 1 1 31 31 LEU N N 15 115.938 0.300 . 1 . . . . 31 LEU N . 11085 1 311 . 1 1 32 32 SER H H 1 8.538 0.030 . 1 . . . . 32 SER H . 11085 1 312 . 1 1 32 32 SER HA H 1 4.486 0.030 . 1 . . . . 32 SER HA . 11085 1 313 . 1 1 32 32 SER HB2 H 1 3.831 0.030 . 2 . . . . 32 SER HB2 . 11085 1 314 . 1 1 32 32 SER HB3 H 1 3.732 0.030 . 2 . . . . 32 SER HB3 . 11085 1 315 . 1 1 32 32 SER C C 13 173.823 0.300 . 1 . . . . 32 SER C . 11085 1 316 . 1 1 32 32 SER CA C 13 55.736 0.300 . 1 . . . . 32 SER CA . 11085 1 317 . 1 1 32 32 SER CB C 13 60.675 0.300 . 1 . . . . 32 SER CB . 11085 1 318 . 1 1 32 32 SER N N 15 110.475 0.300 . 1 . . . . 32 SER N . 11085 1 319 . 1 1 33 33 SER H H 1 8.906 0.030 . 1 . . . . 33 SER H . 11085 1 320 . 1 1 33 33 SER HA H 1 4.337 0.030 . 1 . . . . 33 SER HA . 11085 1 321 . 1 1 33 33 SER HB2 H 1 4.000 0.030 . 1 . . . . 33 SER HB2 . 11085 1 322 . 1 1 33 33 SER HB3 H 1 4.000 0.030 . 1 . . . . 33 SER HB3 . 11085 1 323 . 1 1 33 33 SER C C 13 174.883 0.300 . 1 . . . . 33 SER C . 11085 1 324 . 1 1 33 33 SER CA C 13 60.246 0.300 . 1 . . . . 33 SER CA . 11085 1 325 . 1 1 33 33 SER CB C 13 60.800 0.300 . 1 . . . . 33 SER CB . 11085 1 326 . 1 1 33 33 SER N N 15 126.161 0.300 . 1 . . . . 33 SER N . 11085 1 327 . 1 1 34 34 SER H H 1 10.630 0.030 . 1 . . . . 34 SER H . 11085 1 328 . 1 1 34 34 SER HA H 1 4.318 0.030 . 1 . . . . 34 SER HA . 11085 1 329 . 1 1 34 34 SER HB2 H 1 3.724 0.030 . 2 . . . . 34 SER HB2 . 11085 1 330 . 1 1 34 34 SER HB3 H 1 3.690 0.030 . 2 . . . . 34 SER HB3 . 11085 1 331 . 1 1 34 34 SER C C 13 171.224 0.300 . 1 . . . . 34 SER C . 11085 1 332 . 1 1 34 34 SER CA C 13 58.701 0.300 . 1 . . . . 34 SER CA . 11085 1 333 . 1 1 34 34 SER CB C 13 61.414 0.300 . 1 . . . . 34 SER CB . 11085 1 334 . 1 1 34 34 SER N N 15 120.870 0.300 . 1 . . . . 34 SER N . 11085 1 335 . 1 1 35 35 TRP H H 1 7.840 0.030 . 1 . . . . 35 TRP H . 11085 1 336 . 1 1 35 35 TRP HA H 1 4.357 0.030 . 1 . . . . 35 TRP HA . 11085 1 337 . 1 1 35 35 TRP HB2 H 1 3.388 0.030 . 2 . . . . 35 TRP HB2 . 11085 1 338 . 1 1 35 35 TRP HB3 H 1 2.853 0.030 . 2 . . . . 35 TRP HB3 . 11085 1 339 . 1 1 35 35 TRP HD1 H 1 6.852 0.030 . 1 . . . . 35 TRP HD1 . 11085 1 340 . 1 1 35 35 TRP HE1 H 1 10.188 0.030 . 1 . . . . 35 TRP HE1 . 11085 1 341 . 1 1 35 35 TRP HE3 H 1 7.467 0.030 . 1 . . . . 35 TRP HE3 . 11085 1 342 . 1 1 35 35 TRP HH2 H 1 6.521 0.030 . 1 . . . . 35 TRP HH2 . 11085 1 343 . 1 1 35 35 TRP HZ2 H 1 6.951 0.030 . 1 . . . . 35 TRP HZ2 . 11085 1 344 . 1 1 35 35 TRP HZ3 H 1 6.425 0.030 . 1 . . . . 35 TRP HZ3 . 11085 1 345 . 1 1 35 35 TRP C C 13 173.798 0.300 . 1 . . . . 35 TRP C . 11085 1 346 . 1 1 35 35 TRP CA C 13 54.564 0.300 . 1 . . . . 35 TRP CA . 11085 1 347 . 1 1 35 35 TRP CB C 13 26.992 0.300 . 1 . . . . 35 TRP CB . 11085 1 348 . 1 1 35 35 TRP CD1 C 13 125.151 0.300 . 1 . . . . 35 TRP CD1 . 11085 1 349 . 1 1 35 35 TRP CE3 C 13 118.448 0.300 . 1 . . . . 35 TRP CE3 . 11085 1 350 . 1 1 35 35 TRP CH2 C 13 119.555 0.300 . 1 . . . . 35 TRP CH2 . 11085 1 351 . 1 1 35 35 TRP CZ2 C 13 111.878 0.300 . 1 . . . . 35 TRP CZ2 . 11085 1 352 . 1 1 35 35 TRP CZ3 C 13 119.574 0.300 . 1 . . . . 35 TRP CZ3 . 11085 1 353 . 1 1 35 35 TRP N N 15 119.677 0.300 . 1 . . . . 35 TRP N . 11085 1 354 . 1 1 35 35 TRP NE1 N 15 127.272 0.300 . 1 . . . . 35 TRP NE1 . 11085 1 355 . 1 1 36 36 ALA H H 1 7.120 0.030 . 1 . . . . 36 ALA H . 11085 1 356 . 1 1 36 36 ALA HA H 1 4.262 0.030 . 1 . . . . 36 ALA HA . 11085 1 357 . 1 1 36 36 ALA HB1 H 1 1.541 0.030 . 1 . . . . 36 ALA HB . 11085 1 358 . 1 1 36 36 ALA HB2 H 1 1.541 0.030 . 1 . . . . 36 ALA HB . 11085 1 359 . 1 1 36 36 ALA HB3 H 1 1.541 0.030 . 1 . . . . 36 ALA HB . 11085 1 360 . 1 1 36 36 ALA C C 13 174.712 0.300 . 1 . . . . 36 ALA C . 11085 1 361 . 1 1 36 36 ALA CA C 13 52.045 0.300 . 1 . . . . 36 ALA CA . 11085 1 362 . 1 1 36 36 ALA CB C 13 17.439 0.300 . 1 . . . . 36 ALA CB . 11085 1 363 . 1 1 36 36 ALA N N 15 120.455 0.300 . 1 . . . . 36 ALA N . 11085 1 364 . 1 1 37 37 ASP H H 1 7.515 0.030 . 1 . . . . 37 ASP H . 11085 1 365 . 1 1 37 37 ASP HA H 1 4.752 0.030 . 1 . . . . 37 ASP HA . 11085 1 366 . 1 1 37 37 ASP HB2 H 1 2.449 0.030 . 2 . . . . 37 ASP HB2 . 11085 1 367 . 1 1 37 37 ASP HB3 H 1 3.114 0.030 . 2 . . . . 37 ASP HB3 . 11085 1 368 . 1 1 37 37 ASP C C 13 174.258 0.300 . 1 . . . . 37 ASP C . 11085 1 369 . 1 1 37 37 ASP CA C 13 50.041 0.300 . 1 . . . . 37 ASP CA . 11085 1 370 . 1 1 37 37 ASP CB C 13 38.005 0.300 . 1 . . . . 37 ASP CB . 11085 1 371 . 1 1 37 37 ASP N N 15 112.275 0.300 . 1 . . . . 37 ASP N . 11085 1 372 . 1 1 38 38 GLY H H 1 7.303 0.030 . 1 . . . . 38 GLY H . 11085 1 373 . 1 1 38 38 GLY HA2 H 1 4.161 0.030 . 2 . . . . 38 GLY HA2 . 11085 1 374 . 1 1 38 38 GLY HA3 H 1 3.749 0.030 . 2 . . . . 38 GLY HA3 . 11085 1 375 . 1 1 38 38 GLY C C 13 172.609 0.300 . 1 . . . . 38 GLY C . 11085 1 376 . 1 1 38 38 GLY CA C 13 45.654 0.300 . 1 . . . . 38 GLY CA . 11085 1 377 . 1 1 38 38 GLY N N 15 106.016 0.300 . 1 . . . . 38 GLY N . 11085 1 378 . 1 1 39 39 LEU H H 1 7.560 0.030 . 1 . . . . 39 LEU H . 11085 1 379 . 1 1 39 39 LEU HA H 1 3.820 0.030 . 1 . . . . 39 LEU HA . 11085 1 380 . 1 1 39 39 LEU HB2 H 1 1.670 0.030 . 2 . . . . 39 LEU HB2 . 11085 1 381 . 1 1 39 39 LEU HB3 H 1 1.123 0.030 . 2 . . . . 39 LEU HB3 . 11085 1 382 . 1 1 39 39 LEU HD11 H 1 0.801 0.030 . 1 . . . . 39 LEU HD1 . 11085 1 383 . 1 1 39 39 LEU HD12 H 1 0.801 0.030 . 1 . . . . 39 LEU HD1 . 11085 1 384 . 1 1 39 39 LEU HD13 H 1 0.801 0.030 . 1 . . . . 39 LEU HD1 . 11085 1 385 . 1 1 39 39 LEU HD21 H 1 0.711 0.030 . 1 . . . . 39 LEU HD2 . 11085 1 386 . 1 1 39 39 LEU HD22 H 1 0.711 0.030 . 1 . . . . 39 LEU HD2 . 11085 1 387 . 1 1 39 39 LEU HD23 H 1 0.711 0.030 . 1 . . . . 39 LEU HD2 . 11085 1 388 . 1 1 39 39 LEU HG H 1 1.405 0.030 . 1 . . . . 39 LEU HG . 11085 1 389 . 1 1 39 39 LEU C C 13 176.562 0.300 . 1 . . . . 39 LEU C . 11085 1 390 . 1 1 39 39 LEU CA C 13 55.799 0.300 . 1 . . . . 39 LEU CA . 11085 1 391 . 1 1 39 39 LEU CB C 13 38.995 0.300 . 1 . . . . 39 LEU CB . 11085 1 392 . 1 1 39 39 LEU CD1 C 13 22.797 0.300 . 2 . . . . 39 LEU CD1 . 11085 1 393 . 1 1 39 39 LEU CD2 C 13 19.980 0.300 . 2 . . . . 39 LEU CD2 . 11085 1 394 . 1 1 39 39 LEU CG C 13 24.586 0.300 . 1 . . . . 39 LEU CG . 11085 1 395 . 1 1 39 39 LEU N N 15 119.439 0.300 . 1 . . . . 39 LEU N . 11085 1 396 . 1 1 40 40 ALA H H 1 8.721 0.030 . 1 . . . . 40 ALA H . 11085 1 397 . 1 1 40 40 ALA HA H 1 3.484 0.030 . 1 . . . . 40 ALA HA . 11085 1 398 . 1 1 40 40 ALA HB1 H 1 0.265 0.030 . 1 . . . . 40 ALA HB . 11085 1 399 . 1 1 40 40 ALA HB2 H 1 0.265 0.030 . 1 . . . . 40 ALA HB . 11085 1 400 . 1 1 40 40 ALA HB3 H 1 0.265 0.030 . 1 . . . . 40 ALA HB . 11085 1 401 . 1 1 40 40 ALA C C 13 176.524 0.300 . 1 . . . . 40 ALA C . 11085 1 402 . 1 1 40 40 ALA CA C 13 53.154 0.300 . 1 . . . . 40 ALA CA . 11085 1 403 . 1 1 40 40 ALA CB C 13 15.297 0.300 . 1 . . . . 40 ALA CB . 11085 1 404 . 1 1 40 40 ALA N N 15 121.280 0.300 . 1 . . . . 40 ALA N . 11085 1 405 . 1 1 41 41 LEU H H 1 8.443 0.030 . 1 . . . . 41 LEU H . 11085 1 406 . 1 1 41 41 LEU HA H 1 4.066 0.030 . 1 . . . . 41 LEU HA . 11085 1 407 . 1 1 41 41 LEU HB2 H 1 1.959 0.030 . 2 . . . . 41 LEU HB2 . 11085 1 408 . 1 1 41 41 LEU HB3 H 1 1.470 0.030 . 2 . . . . 41 LEU HB3 . 11085 1 409 . 1 1 41 41 LEU HD11 H 1 1.085 0.030 . 1 . . . . 41 LEU HD1 . 11085 1 410 . 1 1 41 41 LEU HD12 H 1 1.085 0.030 . 1 . . . . 41 LEU HD1 . 11085 1 411 . 1 1 41 41 LEU HD13 H 1 1.085 0.030 . 1 . . . . 41 LEU HD1 . 11085 1 412 . 1 1 41 41 LEU HD21 H 1 0.940 0.030 . 1 . . . . 41 LEU HD2 . 11085 1 413 . 1 1 41 41 LEU HD22 H 1 0.940 0.030 . 1 . . . . 41 LEU HD2 . 11085 1 414 . 1 1 41 41 LEU HD23 H 1 0.940 0.030 . 1 . . . . 41 LEU HD2 . 11085 1 415 . 1 1 41 41 LEU HG H 1 2.101 0.030 . 1 . . . . 41 LEU HG . 11085 1 416 . 1 1 41 41 LEU C C 13 176.629 0.300 . 1 . . . . 41 LEU C . 11085 1 417 . 1 1 41 41 LEU CA C 13 55.910 0.300 . 1 . . . . 41 LEU CA . 11085 1 418 . 1 1 41 41 LEU CB C 13 40.182 0.300 . 1 . . . . 41 LEU CB . 11085 1 419 . 1 1 41 41 LEU CD1 C 13 23.870 0.300 . 2 . . . . 41 LEU CD1 . 11085 1 420 . 1 1 41 41 LEU CD2 C 13 22.137 0.300 . 2 . . . . 41 LEU CD2 . 11085 1 421 . 1 1 41 41 LEU CG C 13 25.546 0.300 . 1 . . . . 41 LEU CG . 11085 1 422 . 1 1 41 41 LEU N N 15 118.211 0.300 . 1 . . . . 41 LEU N . 11085 1 423 . 1 1 42 42 CYS H H 1 7.498 0.030 . 1 . . . . 42 CYS H . 11085 1 424 . 1 1 42 42 CYS HA H 1 3.995 0.030 . 1 . . . . 42 CYS HA . 11085 1 425 . 1 1 42 42 CYS HB2 H 1 3.137 0.030 . 2 . . . . 42 CYS HB2 . 11085 1 426 . 1 1 42 42 CYS HB3 H 1 2.420 0.030 . 2 . . . . 42 CYS HB3 . 11085 1 427 . 1 1 42 42 CYS C C 13 173.466 0.300 . 1 . . . . 42 CYS C . 11085 1 428 . 1 1 42 42 CYS CA C 13 62.671 0.300 . 1 . . . . 42 CYS CA . 11085 1 429 . 1 1 42 42 CYS CB C 13 24.105 0.300 . 1 . . . . 42 CYS CB . 11085 1 430 . 1 1 42 42 CYS N N 15 115.802 0.300 . 1 . . . . 42 CYS N . 11085 1 431 . 1 1 43 43 ALA H H 1 8.210 0.030 . 1 . . . . 43 ALA H . 11085 1 432 . 1 1 43 43 ALA HA H 1 3.096 0.030 . 1 . . . . 43 ALA HA . 11085 1 433 . 1 1 43 43 ALA HB1 H 1 0.702 0.030 . 1 . . . . 43 ALA HB . 11085 1 434 . 1 1 43 43 ALA HB2 H 1 0.702 0.030 . 1 . . . . 43 ALA HB . 11085 1 435 . 1 1 43 43 ALA HB3 H 1 0.702 0.030 . 1 . . . . 43 ALA HB . 11085 1 436 . 1 1 43 43 ALA C C 13 176.613 0.300 . 1 . . . . 43 ALA C . 11085 1 437 . 1 1 43 43 ALA CA C 13 52.588 0.300 . 1 . . . . 43 ALA CA . 11085 1 438 . 1 1 43 43 ALA CB C 13 16.136 0.300 . 1 . . . . 43 ALA CB . 11085 1 439 . 1 1 43 43 ALA N N 15 121.261 0.300 . 1 . . . . 43 ALA N . 11085 1 440 . 1 1 44 44 LEU H H 1 7.850 0.030 . 1 . . . . 44 LEU H . 11085 1 441 . 1 1 44 44 LEU HA H 1 3.487 0.030 . 1 . . . . 44 LEU HA . 11085 1 442 . 1 1 44 44 LEU HB2 H 1 1.591 0.030 . 2 . . . . 44 LEU HB2 . 11085 1 443 . 1 1 44 44 LEU HB3 H 1 1.301 0.030 . 2 . . . . 44 LEU HB3 . 11085 1 444 . 1 1 44 44 LEU HD11 H 1 0.416 0.030 . 1 . . . . 44 LEU HD1 . 11085 1 445 . 1 1 44 44 LEU HD12 H 1 0.416 0.030 . 1 . . . . 44 LEU HD1 . 11085 1 446 . 1 1 44 44 LEU HD13 H 1 0.416 0.030 . 1 . . . . 44 LEU HD1 . 11085 1 447 . 1 1 44 44 LEU HD21 H 1 0.125 0.030 . 1 . . . . 44 LEU HD2 . 11085 1 448 . 1 1 44 44 LEU HD22 H 1 0.125 0.030 . 1 . . . . 44 LEU HD2 . 11085 1 449 . 1 1 44 44 LEU HD23 H 1 0.125 0.030 . 1 . . . . 44 LEU HD2 . 11085 1 450 . 1 1 44 44 LEU HG H 1 1.135 0.030 . 1 . . . . 44 LEU HG . 11085 1 451 . 1 1 44 44 LEU C C 13 175.293 0.300 . 1 . . . . 44 LEU C . 11085 1 452 . 1 1 44 44 LEU CA C 13 55.683 0.300 . 1 . . . . 44 LEU CA . 11085 1 453 . 1 1 44 44 LEU CB C 13 40.231 0.300 . 1 . . . . 44 LEU CB . 11085 1 454 . 1 1 44 44 LEU CD1 C 13 21.898 0.300 . 2 . . . . 44 LEU CD1 . 11085 1 455 . 1 1 44 44 LEU CD2 C 13 22.591 0.300 . 2 . . . . 44 LEU CD2 . 11085 1 456 . 1 1 44 44 LEU CG C 13 24.033 0.300 . 1 . . . . 44 LEU CG . 11085 1 457 . 1 1 44 44 LEU N N 15 118.456 0.300 . 1 . . . . 44 LEU N . 11085 1 458 . 1 1 45 45 VAL H H 1 7.594 0.030 . 1 . . . . 45 VAL H . 11085 1 459 . 1 1 45 45 VAL HA H 1 3.334 0.030 . 1 . . . . 45 VAL HA . 11085 1 460 . 1 1 45 45 VAL HB H 1 2.040 0.030 . 1 . . . . 45 VAL HB . 11085 1 461 . 1 1 45 45 VAL HG11 H 1 0.718 0.030 . 1 . . . . 45 VAL HG1 . 11085 1 462 . 1 1 45 45 VAL HG12 H 1 0.718 0.030 . 1 . . . . 45 VAL HG1 . 11085 1 463 . 1 1 45 45 VAL HG13 H 1 0.718 0.030 . 1 . . . . 45 VAL HG1 . 11085 1 464 . 1 1 45 45 VAL HG21 H 1 1.032 0.030 . 1 . . . . 45 VAL HG2 . 11085 1 465 . 1 1 45 45 VAL HG22 H 1 1.032 0.030 . 1 . . . . 45 VAL HG2 . 11085 1 466 . 1 1 45 45 VAL HG23 H 1 1.032 0.030 . 1 . . . . 45 VAL HG2 . 11085 1 467 . 1 1 45 45 VAL C C 13 174.610 0.300 . 1 . . . . 45 VAL C . 11085 1 468 . 1 1 45 45 VAL CA C 13 64.616 0.300 . 1 . . . . 45 VAL CA . 11085 1 469 . 1 1 45 45 VAL CB C 13 29.225 0.300 . 1 . . . . 45 VAL CB . 11085 1 470 . 1 1 45 45 VAL CG1 C 13 19.694 0.300 . 2 . . . . 45 VAL CG1 . 11085 1 471 . 1 1 45 45 VAL CG2 C 13 20.308 0.300 . 2 . . . . 45 VAL CG2 . 11085 1 472 . 1 1 45 45 VAL N N 15 114.508 0.300 . 1 . . . . 45 VAL N . 11085 1 473 . 1 1 46 46 TYR H H 1 8.229 0.030 . 1 . . . . 46 TYR H . 11085 1 474 . 1 1 46 46 TYR HA H 1 4.111 0.030 . 1 . . . . 46 TYR HA . 11085 1 475 . 1 1 46 46 TYR HB2 H 1 3.027 0.030 . 1 . . . . 46 TYR HB2 . 11085 1 476 . 1 1 46 46 TYR HB3 H 1 3.027 0.030 . 1 . . . . 46 TYR HB3 . 11085 1 477 . 1 1 46 46 TYR HD1 H 1 7.193 0.030 . 1 . . . . 46 TYR HD1 . 11085 1 478 . 1 1 46 46 TYR HD2 H 1 7.193 0.030 . 1 . . . . 46 TYR HD2 . 11085 1 479 . 1 1 46 46 TYR HE1 H 1 6.778 0.030 . 1 . . . . 46 TYR HE1 . 11085 1 480 . 1 1 46 46 TYR HE2 H 1 6.778 0.030 . 1 . . . . 46 TYR HE2 . 11085 1 481 . 1 1 46 46 TYR C C 13 175.546 0.300 . 1 . . . . 46 TYR C . 11085 1 482 . 1 1 46 46 TYR CA C 13 58.980 0.300 . 1 . . . . 46 TYR CA . 11085 1 483 . 1 1 46 46 TYR CB C 13 36.109 0.300 . 1 . . . . 46 TYR CB . 11085 1 484 . 1 1 46 46 TYR CD1 C 13 131.194 0.300 . 1 . . . . 46 TYR CD1 . 11085 1 485 . 1 1 46 46 TYR CD2 C 13 131.194 0.300 . 1 . . . . 46 TYR CD2 . 11085 1 486 . 1 1 46 46 TYR CE1 C 13 115.592 0.300 . 1 . . . . 46 TYR CE1 . 11085 1 487 . 1 1 46 46 TYR CE2 C 13 115.592 0.300 . 1 . . . . 46 TYR CE2 . 11085 1 488 . 1 1 46 46 TYR N N 15 117.164 0.300 . 1 . . . . 46 TYR N . 11085 1 489 . 1 1 47 47 ARG H H 1 7.954 0.030 . 1 . . . . 47 ARG H . 11085 1 490 . 1 1 47 47 ARG HA H 1 3.914 0.030 . 1 . . . . 47 ARG HA . 11085 1 491 . 1 1 47 47 ARG HB2 H 1 2.014 0.030 . 2 . . . . 47 ARG HB2 . 11085 1 492 . 1 1 47 47 ARG HB3 H 1 1.761 0.030 . 2 . . . . 47 ARG HB3 . 11085 1 493 . 1 1 47 47 ARG HD2 H 1 3.215 0.030 . 1 . . . . 47 ARG HD2 . 11085 1 494 . 1 1 47 47 ARG HD3 H 1 3.215 0.030 . 1 . . . . 47 ARG HD3 . 11085 1 495 . 1 1 47 47 ARG HE H 1 7.344 0.030 . 1 . . . . 47 ARG HE . 11085 1 496 . 1 1 47 47 ARG HG2 H 1 1.532 0.030 . 2 . . . . 47 ARG HG2 . 11085 1 497 . 1 1 47 47 ARG HG3 H 1 1.806 0.030 . 2 . . . . 47 ARG HG3 . 11085 1 498 . 1 1 47 47 ARG C C 13 176.085 0.300 . 1 . . . . 47 ARG C . 11085 1 499 . 1 1 47 47 ARG CA C 13 54.679 0.300 . 1 . . . . 47 ARG CA . 11085 1 500 . 1 1 47 47 ARG CB C 13 27.042 0.300 . 1 . . . . 47 ARG CB . 11085 1 501 . 1 1 47 47 ARG CD C 13 40.373 0.300 . 1 . . . . 47 ARG CD . 11085 1 502 . 1 1 47 47 ARG CG C 13 25.018 0.300 . 1 . . . . 47 ARG CG . 11085 1 503 . 1 1 47 47 ARG N N 15 117.270 0.300 . 1 . . . . 47 ARG N . 11085 1 504 . 1 1 47 47 ARG NE N 15 85.021 0.300 . 1 . . . . 47 ARG NE . 11085 1 505 . 1 1 48 48 LEU H H 1 7.416 0.030 . 1 . . . . 48 LEU H . 11085 1 506 . 1 1 48 48 LEU HA H 1 4.013 0.030 . 1 . . . . 48 LEU HA . 11085 1 507 . 1 1 48 48 LEU HB2 H 1 1.483 0.030 . 2 . . . . 48 LEU HB2 . 11085 1 508 . 1 1 48 48 LEU HB3 H 1 0.899 0.030 . 2 . . . . 48 LEU HB3 . 11085 1 509 . 1 1 48 48 LEU HD11 H 1 0.589 0.030 . 1 . . . . 48 LEU HD1 . 11085 1 510 . 1 1 48 48 LEU HD12 H 1 0.589 0.030 . 1 . . . . 48 LEU HD1 . 11085 1 511 . 1 1 48 48 LEU HD13 H 1 0.589 0.030 . 1 . . . . 48 LEU HD1 . 11085 1 512 . 1 1 48 48 LEU HD21 H 1 0.614 0.030 . 1 . . . . 48 LEU HD2 . 11085 1 513 . 1 1 48 48 LEU HD22 H 1 0.614 0.030 . 1 . . . . 48 LEU HD2 . 11085 1 514 . 1 1 48 48 LEU HD23 H 1 0.614 0.030 . 1 . . . . 48 LEU HD2 . 11085 1 515 . 1 1 48 48 LEU HG H 1 1.707 0.030 . 1 . . . . 48 LEU HG . 11085 1 516 . 1 1 48 48 LEU C C 13 174.579 0.300 . 1 . . . . 48 LEU C . 11085 1 517 . 1 1 48 48 LEU CA C 13 53.596 0.300 . 1 . . . . 48 LEU CA . 11085 1 518 . 1 1 48 48 LEU CB C 13 39.777 0.300 . 1 . . . . 48 LEU CB . 11085 1 519 . 1 1 48 48 LEU CD1 C 13 24.115 0.300 . 2 . . . . 48 LEU CD1 . 11085 1 520 . 1 1 48 48 LEU CD2 C 13 19.745 0.300 . 2 . . . . 48 LEU CD2 . 11085 1 521 . 1 1 48 48 LEU CG C 13 24.257 0.300 . 1 . . . . 48 LEU CG . 11085 1 522 . 1 1 48 48 LEU N N 15 117.031 0.300 . 1 . . . . 48 LEU N . 11085 1 523 . 1 1 49 49 GLN H H 1 7.790 0.030 . 1 . . . . 49 GLN H . 11085 1 524 . 1 1 49 49 GLN HA H 1 4.699 0.030 . 1 . . . . 49 GLN HA . 11085 1 525 . 1 1 49 49 GLN HB2 H 1 2.065 0.030 . 2 . . . . 49 GLN HB2 . 11085 1 526 . 1 1 49 49 GLN HB3 H 1 1.642 0.030 . 2 . . . . 49 GLN HB3 . 11085 1 527 . 1 1 49 49 GLN HE21 H 1 7.353 0.030 . 2 . . . . 49 GLN HE21 . 11085 1 528 . 1 1 49 49 GLN HE22 H 1 6.584 0.030 . 2 . . . . 49 GLN HE22 . 11085 1 529 . 1 1 49 49 GLN HG2 H 1 2.037 0.030 . 2 . . . . 49 GLN HG2 . 11085 1 530 . 1 1 49 49 GLN HG3 H 1 2.084 0.030 . 2 . . . . 49 GLN HG3 . 11085 1 531 . 1 1 49 49 GLN C C 13 169.047 0.300 . 1 . . . . 49 GLN C . 11085 1 532 . 1 1 49 49 GLN CA C 13 50.572 0.300 . 1 . . . . 49 GLN CA . 11085 1 533 . 1 1 49 49 GLN CB C 13 27.367 0.300 . 1 . . . . 49 GLN CB . 11085 1 534 . 1 1 49 49 GLN CG C 13 31.937 0.300 . 1 . . . . 49 GLN CG . 11085 1 535 . 1 1 49 49 GLN N N 15 119.393 0.300 . 1 . . . . 49 GLN N . 11085 1 536 . 1 1 49 49 GLN NE2 N 15 111.131 0.300 . 1 . . . . 49 GLN NE2 . 11085 1 537 . 1 1 50 50 PRO HA H 1 4.318 0.030 . 1 . . . . 50 PRO HA . 11085 1 538 . 1 1 50 50 PRO HB2 H 1 2.075 0.030 . 2 . . . . 50 PRO HB2 . 11085 1 539 . 1 1 50 50 PRO HB3 H 1 1.782 0.030 . 2 . . . . 50 PRO HB3 . 11085 1 540 . 1 1 50 50 PRO HD2 H 1 3.523 0.030 . 2 . . . . 50 PRO HD2 . 11085 1 541 . 1 1 50 50 PRO HD3 H 1 3.370 0.030 . 2 . . . . 50 PRO HD3 . 11085 1 542 . 1 1 50 50 PRO HG2 H 1 1.867 0.030 . 1 . . . . 50 PRO HG2 . 11085 1 543 . 1 1 50 50 PRO HG3 H 1 1.867 0.030 . 1 . . . . 50 PRO HG3 . 11085 1 544 . 1 1 50 50 PRO C C 13 175.692 0.300 . 1 . . . . 50 PRO C . 11085 1 545 . 1 1 50 50 PRO CA C 13 61.573 0.300 . 1 . . . . 50 PRO CA . 11085 1 546 . 1 1 50 50 PRO CB C 13 29.556 0.300 . 1 . . . . 50 PRO CB . 11085 1 547 . 1 1 50 50 PRO CD C 13 47.977 0.300 . 1 . . . . 50 PRO CD . 11085 1 548 . 1 1 50 50 PRO CG C 13 24.857 0.300 . 1 . . . . 50 PRO CG . 11085 1 549 . 1 1 51 51 GLY H H 1 8.329 0.030 . 1 . . . . 51 GLY H . 11085 1 550 . 1 1 51 51 GLY HA2 H 1 3.898 0.030 . 2 . . . . 51 GLY HA2 . 11085 1 551 . 1 1 51 51 GLY HA3 H 1 3.830 0.030 . 2 . . . . 51 GLY HA3 . 11085 1 552 . 1 1 51 51 GLY C C 13 172.504 0.300 . 1 . . . . 51 GLY C . 11085 1 553 . 1 1 51 51 GLY CA C 13 43.126 0.300 . 1 . . . . 51 GLY CA . 11085 1 554 . 1 1 51 51 GLY N N 15 108.269 0.300 . 1 . . . . 51 GLY N . 11085 1 555 . 1 1 52 52 LEU H H 1 7.948 0.030 . 1 . . . . 52 LEU H . 11085 1 556 . 1 1 52 52 LEU HA H 1 4.371 0.030 . 1 . . . . 52 LEU HA . 11085 1 557 . 1 1 52 52 LEU HB2 H 1 1.830 0.030 . 2 . . . . 52 LEU HB2 . 11085 1 558 . 1 1 52 52 LEU HB3 H 1 1.633 0.030 . 2 . . . . 52 LEU HB3 . 11085 1 559 . 1 1 52 52 LEU HD11 H 1 0.769 0.030 . 1 . . . . 52 LEU HD1 . 11085 1 560 . 1 1 52 52 LEU HD12 H 1 0.769 0.030 . 1 . . . . 52 LEU HD1 . 11085 1 561 . 1 1 52 52 LEU HD13 H 1 0.769 0.030 . 1 . . . . 52 LEU HD1 . 11085 1 562 . 1 1 52 52 LEU HD21 H 1 0.759 0.030 . 1 . . . . 52 LEU HD2 . 11085 1 563 . 1 1 52 52 LEU HD22 H 1 0.759 0.030 . 1 . . . . 52 LEU HD2 . 11085 1 564 . 1 1 52 52 LEU HD23 H 1 0.759 0.030 . 1 . . . . 52 LEU HD2 . 11085 1 565 . 1 1 52 52 LEU HG H 1 1.635 0.030 . 1 . . . . 52 LEU HG . 11085 1 566 . 1 1 52 52 LEU C C 13 174.099 0.300 . 1 . . . . 52 LEU C . 11085 1 567 . 1 1 52 52 LEU CA C 13 52.818 0.300 . 1 . . . . 52 LEU CA . 11085 1 568 . 1 1 52 52 LEU CB C 13 40.684 0.300 . 1 . . . . 52 LEU CB . 11085 1 569 . 1 1 52 52 LEU CD1 C 13 23.374 0.300 . 2 . . . . 52 LEU CD1 . 11085 1 570 . 1 1 52 52 LEU CD2 C 13 21.230 0.300 . 2 . . . . 52 LEU CD2 . 11085 1 571 . 1 1 52 52 LEU CG C 13 24.391 0.300 . 1 . . . . 52 LEU CG . 11085 1 572 . 1 1 52 52 LEU N N 15 121.007 0.300 . 1 . . . . 52 LEU N . 11085 1 573 . 1 1 53 53 LEU H H 1 7.911 0.030 . 1 . . . . 53 LEU H . 11085 1 574 . 1 1 53 53 LEU HA H 1 4.283 0.030 . 1 . . . . 53 LEU HA . 11085 1 575 . 1 1 53 53 LEU HB2 H 1 1.441 0.030 . 2 . . . . 53 LEU HB2 . 11085 1 576 . 1 1 53 53 LEU HB3 H 1 1.512 0.030 . 2 . . . . 53 LEU HB3 . 11085 1 577 . 1 1 53 53 LEU HD11 H 1 0.702 0.030 . 1 . . . . 53 LEU HD1 . 11085 1 578 . 1 1 53 53 LEU HD12 H 1 0.702 0.030 . 1 . . . . 53 LEU HD1 . 11085 1 579 . 1 1 53 53 LEU HD13 H 1 0.702 0.030 . 1 . . . . 53 LEU HD1 . 11085 1 580 . 1 1 53 53 LEU HD21 H 1 0.652 0.030 . 1 . . . . 53 LEU HD2 . 11085 1 581 . 1 1 53 53 LEU HD22 H 1 0.652 0.030 . 1 . . . . 53 LEU HD2 . 11085 1 582 . 1 1 53 53 LEU HD23 H 1 0.652 0.030 . 1 . . . . 53 LEU HD2 . 11085 1 583 . 1 1 53 53 LEU HG H 1 1.487 0.030 . 1 . . . . 53 LEU HG . 11085 1 584 . 1 1 53 53 LEU C C 13 173.510 0.300 . 1 . . . . 53 LEU C . 11085 1 585 . 1 1 53 53 LEU CA C 13 52.225 0.300 . 1 . . . . 53 LEU CA . 11085 1 586 . 1 1 53 53 LEU CB C 13 40.560 0.300 . 1 . . . . 53 LEU CB . 11085 1 587 . 1 1 53 53 LEU CD1 C 13 22.772 0.300 . 2 . . . . 53 LEU CD1 . 11085 1 588 . 1 1 53 53 LEU CD2 C 13 21.771 0.300 . 2 . . . . 53 LEU CD2 . 11085 1 589 . 1 1 53 53 LEU CG C 13 24.633 0.300 . 1 . . . . 53 LEU CG . 11085 1 590 . 1 1 53 53 LEU N N 15 120.156 0.300 . 1 . . . . 53 LEU N . 11085 1 591 . 1 1 54 54 GLU H H 1 8.456 0.030 . 1 . . . . 54 GLU H . 11085 1 592 . 1 1 54 54 GLU HA H 1 4.262 0.030 . 1 . . . . 54 GLU HA . 11085 1 593 . 1 1 54 54 GLU HB2 H 1 1.823 0.030 . 2 . . . . 54 GLU HB2 . 11085 1 594 . 1 1 54 54 GLU HB3 H 1 1.709 0.030 . 2 . . . . 54 GLU HB3 . 11085 1 595 . 1 1 54 54 GLU HG2 H 1 2.034 0.030 . 1 . . . . 54 GLU HG2 . 11085 1 596 . 1 1 54 54 GLU HG3 H 1 2.034 0.030 . 1 . . . . 54 GLU HG3 . 11085 1 597 . 1 1 54 54 GLU C C 13 173.030 0.300 . 1 . . . . 54 GLU C . 11085 1 598 . 1 1 54 54 GLU CA C 13 51.790 0.300 . 1 . . . . 54 GLU CA . 11085 1 599 . 1 1 54 54 GLU CB C 13 27.432 0.300 . 1 . . . . 54 GLU CB . 11085 1 600 . 1 1 54 54 GLU CG C 13 33.656 0.300 . 1 . . . . 54 GLU CG . 11085 1 601 . 1 1 54 54 GLU N N 15 123.488 0.300 . 1 . . . . 54 GLU N . 11085 1 602 . 1 1 55 55 PRO HA H 1 4.047 0.030 . 1 . . . . 55 PRO HA . 11085 1 603 . 1 1 55 55 PRO HB2 H 1 1.862 0.030 . 2 . . . . 55 PRO HB2 . 11085 1 604 . 1 1 55 55 PRO HB3 H 1 1.561 0.030 . 2 . . . . 55 PRO HB3 . 11085 1 605 . 1 1 55 55 PRO HD2 H 1 3.336 0.030 . 2 . . . . 55 PRO HD2 . 11085 1 606 . 1 1 55 55 PRO HD3 H 1 3.558 0.030 . 2 . . . . 55 PRO HD3 . 11085 1 607 . 1 1 55 55 PRO HG2 H 1 1.325 0.030 . 2 . . . . 55 PRO HG2 . 11085 1 608 . 1 1 55 55 PRO HG3 H 1 1.474 0.030 . 2 . . . . 55 PRO HG3 . 11085 1 609 . 1 1 55 55 PRO C C 13 176.265 0.300 . 1 . . . . 55 PRO C . 11085 1 610 . 1 1 55 55 PRO CA C 13 61.997 0.300 . 1 . . . . 55 PRO CA . 11085 1 611 . 1 1 55 55 PRO CB C 13 29.314 0.300 . 1 . . . . 55 PRO CB . 11085 1 612 . 1 1 55 55 PRO CD C 13 48.119 0.300 . 1 . . . . 55 PRO CD . 11085 1 613 . 1 1 55 55 PRO CG C 13 24.775 0.300 . 1 . . . . 55 PRO CG . 11085 1 614 . 1 1 56 56 SER H H 1 8.402 0.030 . 1 . . . . 56 SER H . 11085 1 615 . 1 1 56 56 SER HA H 1 3.981 0.030 . 1 . . . . 56 SER HA . 11085 1 616 . 1 1 56 56 SER HB2 H 1 3.755 0.030 . 1 . . . . 56 SER HB2 . 11085 1 617 . 1 1 56 56 SER HB3 H 1 3.755 0.030 . 1 . . . . 56 SER HB3 . 11085 1 618 . 1 1 56 56 SER C C 13 173.909 0.300 . 1 . . . . 56 SER C . 11085 1 619 . 1 1 56 56 SER CA C 13 58.425 0.300 . 1 . . . . 56 SER CA . 11085 1 620 . 1 1 56 56 SER CB C 13 60.094 0.300 . 1 . . . . 56 SER CB . 11085 1 621 . 1 1 56 56 SER N N 15 115.065 0.300 . 1 . . . . 56 SER N . 11085 1 622 . 1 1 57 57 GLU H H 1 8.224 0.030 . 1 . . . . 57 GLU H . 11085 1 623 . 1 1 57 57 GLU HA H 1 4.046 0.030 . 1 . . . . 57 GLU HA . 11085 1 624 . 1 1 57 57 GLU HB2 H 1 1.904 0.030 . 2 . . . . 57 GLU HB2 . 11085 1 625 . 1 1 57 57 GLU HB3 H 1 2.055 0.030 . 2 . . . . 57 GLU HB3 . 11085 1 626 . 1 1 57 57 GLU HG2 H 1 2.158 0.030 . 2 . . . . 57 GLU HG2 . 11085 1 627 . 1 1 57 57 GLU HG3 H 1 2.084 0.030 . 2 . . . . 57 GLU HG3 . 11085 1 628 . 1 1 57 57 GLU C C 13 175.029 0.300 . 1 . . . . 57 GLU C . 11085 1 629 . 1 1 57 57 GLU CA C 13 55.312 0.300 . 1 . . . . 57 GLU CA . 11085 1 630 . 1 1 57 57 GLU CB C 13 26.877 0.300 . 1 . . . . 57 GLU CB . 11085 1 631 . 1 1 57 57 GLU CG C 13 34.363 0.300 . 1 . . . . 57 GLU CG . 11085 1 632 . 1 1 57 57 GLU N N 15 120.240 0.300 . 1 . . . . 57 GLU N . 11085 1 633 . 1 1 58 58 LEU H H 1 7.195 0.030 . 1 . . . . 58 LEU H . 11085 1 634 . 1 1 58 58 LEU HA H 1 3.905 0.030 . 1 . . . . 58 LEU HA . 11085 1 635 . 1 1 58 58 LEU HB2 H 1 1.402 0.030 . 1 . . . . 58 LEU HB2 . 11085 1 636 . 1 1 58 58 LEU HB3 H 1 1.402 0.030 . 1 . . . . 58 LEU HB3 . 11085 1 637 . 1 1 58 58 LEU HD11 H 1 0.241 0.030 . 1 . . . . 58 LEU HD1 . 11085 1 638 . 1 1 58 58 LEU HD12 H 1 0.241 0.030 . 1 . . . . 58 LEU HD1 . 11085 1 639 . 1 1 58 58 LEU HD13 H 1 0.241 0.030 . 1 . . . . 58 LEU HD1 . 11085 1 640 . 1 1 58 58 LEU HD21 H 1 0.488 0.030 . 1 . . . . 58 LEU HD2 . 11085 1 641 . 1 1 58 58 LEU HD22 H 1 0.488 0.030 . 1 . . . . 58 LEU HD2 . 11085 1 642 . 1 1 58 58 LEU HD23 H 1 0.488 0.030 . 1 . . . . 58 LEU HD2 . 11085 1 643 . 1 1 58 58 LEU HG H 1 1.247 0.030 . 1 . . . . 58 LEU HG . 11085 1 644 . 1 1 58 58 LEU C C 13 175.721 0.300 . 1 . . . . 58 LEU C . 11085 1 645 . 1 1 58 58 LEU CA C 13 53.455 0.300 . 1 . . . . 58 LEU CA . 11085 1 646 . 1 1 58 58 LEU CB C 13 39.612 0.300 . 1 . . . . 58 LEU CB . 11085 1 647 . 1 1 58 58 LEU CD1 C 13 20.951 0.300 . 2 . . . . 58 LEU CD1 . 11085 1 648 . 1 1 58 58 LEU CD2 C 13 22.785 0.300 . 2 . . . . 58 LEU CD2 . 11085 1 649 . 1 1 58 58 LEU CG C 13 24.607 0.300 . 1 . . . . 58 LEU CG . 11085 1 650 . 1 1 58 58 LEU N N 15 118.866 0.300 . 1 . . . . 58 LEU N . 11085 1 651 . 1 1 59 59 GLN H H 1 7.412 0.030 . 1 . . . . 59 GLN H . 11085 1 652 . 1 1 59 59 GLN HA H 1 3.873 0.030 . 1 . . . . 59 GLN HA . 11085 1 653 . 1 1 59 59 GLN HB2 H 1 1.920 0.030 . 1 . . . . 59 GLN HB2 . 11085 1 654 . 1 1 59 59 GLN HB3 H 1 1.920 0.030 . 1 . . . . 59 GLN HB3 . 11085 1 655 . 1 1 59 59 GLN HE21 H 1 7.408 0.030 . 2 . . . . 59 GLN HE21 . 11085 1 656 . 1 1 59 59 GLN HE22 H 1 6.679 0.030 . 2 . . . . 59 GLN HE22 . 11085 1 657 . 1 1 59 59 GLN HG2 H 1 2.256 0.030 . 1 . . . . 59 GLN HG2 . 11085 1 658 . 1 1 59 59 GLN HG3 H 1 2.256 0.030 . 1 . . . . 59 GLN HG3 . 11085 1 659 . 1 1 59 59 GLN C C 13 174.502 0.300 . 1 . . . . 59 GLN C . 11085 1 660 . 1 1 59 59 GLN CA C 13 55.418 0.300 . 1 . . . . 59 GLN CA . 11085 1 661 . 1 1 59 59 GLN CB C 13 25.929 0.300 . 1 . . . . 59 GLN CB . 11085 1 662 . 1 1 59 59 GLN CG C 13 31.445 0.300 . 1 . . . . 59 GLN CG . 11085 1 663 . 1 1 59 59 GLN N N 15 116.459 0.300 . 1 . . . . 59 GLN N . 11085 1 664 . 1 1 59 59 GLN NE2 N 15 111.682 0.300 . 1 . . . . 59 GLN NE2 . 11085 1 665 . 1 1 60 60 GLY H H 1 8.193 0.030 . 1 . . . . 60 GLY H . 11085 1 666 . 1 1 60 60 GLY HA2 H 1 3.899 0.030 . 2 . . . . 60 GLY HA2 . 11085 1 667 . 1 1 60 60 GLY HA3 H 1 3.756 0.030 . 2 . . . . 60 GLY HA3 . 11085 1 668 . 1 1 60 60 GLY C C 13 172.282 0.300 . 1 . . . . 60 GLY C . 11085 1 669 . 1 1 60 60 GLY CA C 13 42.790 0.300 . 1 . . . . 60 GLY CA . 11085 1 670 . 1 1 60 60 GLY N N 15 108.350 0.300 . 1 . . . . 60 GLY N . 11085 1 671 . 1 1 61 61 LEU H H 1 7.322 0.030 . 1 . . . . 61 LEU H . 11085 1 672 . 1 1 61 61 LEU HA H 1 4.240 0.030 . 1 . . . . 61 LEU HA . 11085 1 673 . 1 1 61 61 LEU HB2 H 1 1.721 0.030 . 2 . . . . 61 LEU HB2 . 11085 1 674 . 1 1 61 61 LEU HB3 H 1 1.428 0.030 . 2 . . . . 61 LEU HB3 . 11085 1 675 . 1 1 61 61 LEU HD11 H 1 0.658 0.030 . 1 . . . . 61 LEU HD1 . 11085 1 676 . 1 1 61 61 LEU HD12 H 1 0.658 0.030 . 1 . . . . 61 LEU HD1 . 11085 1 677 . 1 1 61 61 LEU HD13 H 1 0.658 0.030 . 1 . . . . 61 LEU HD1 . 11085 1 678 . 1 1 61 61 LEU HD21 H 1 0.662 0.030 . 1 . . . . 61 LEU HD2 . 11085 1 679 . 1 1 61 61 LEU HD22 H 1 0.662 0.030 . 1 . . . . 61 LEU HD2 . 11085 1 680 . 1 1 61 61 LEU HD23 H 1 0.662 0.030 . 1 . . . . 61 LEU HD2 . 11085 1 681 . 1 1 61 61 LEU HG H 1 1.612 0.030 . 1 . . . . 61 LEU HG . 11085 1 682 . 1 1 61 61 LEU C C 13 175.897 0.300 . 1 . . . . 61 LEU C . 11085 1 683 . 1 1 61 61 LEU CA C 13 52.730 0.300 . 1 . . . . 61 LEU CA . 11085 1 684 . 1 1 61 61 LEU CB C 13 40.548 0.300 . 1 . . . . 61 LEU CB . 11085 1 685 . 1 1 61 61 LEU CD1 C 13 23.071 0.300 . 2 . . . . 61 LEU CD1 . 11085 1 686 . 1 1 61 61 LEU CD2 C 13 20.080 0.300 . 2 . . . . 61 LEU CD2 . 11085 1 687 . 1 1 61 61 LEU CG C 13 24.306 0.300 . 1 . . . . 61 LEU CG . 11085 1 688 . 1 1 61 61 LEU N N 15 120.215 0.300 . 1 . . . . 61 LEU N . 11085 1 689 . 1 1 62 62 GLY H H 1 8.322 0.030 . 1 . . . . 62 GLY H . 11085 1 690 . 1 1 62 62 GLY HA2 H 1 4.062 0.030 . 2 . . . . 62 GLY HA2 . 11085 1 691 . 1 1 62 62 GLY HA3 H 1 3.987 0.030 . 2 . . . . 62 GLY HA3 . 11085 1 692 . 1 1 62 62 GLY C C 13 170.906 0.300 . 1 . . . . 62 GLY C . 11085 1 693 . 1 1 62 62 GLY CA C 13 41.852 0.300 . 1 . . . . 62 GLY CA . 11085 1 694 . 1 1 62 62 GLY N N 15 108.527 0.300 . 1 . . . . 62 GLY N . 11085 1 695 . 1 1 63 63 ALA H H 1 8.215 0.030 . 1 . . . . 63 ALA H . 11085 1 696 . 1 1 63 63 ALA HA H 1 4.021 0.030 . 1 . . . . 63 ALA HA . 11085 1 697 . 1 1 63 63 ALA HB1 H 1 1.474 0.030 . 1 . . . . 63 ALA HB . 11085 1 698 . 1 1 63 63 ALA HB2 H 1 1.474 0.030 . 1 . . . . 63 ALA HB . 11085 1 699 . 1 1 63 63 ALA HB3 H 1 1.474 0.030 . 1 . . . . 63 ALA HB . 11085 1 700 . 1 1 63 63 ALA C C 13 178.516 0.300 . 1 . . . . 63 ALA C . 11085 1 701 . 1 1 63 63 ALA CA C 13 53.526 0.300 . 1 . . . . 63 ALA CA . 11085 1 702 . 1 1 63 63 ALA CB C 13 17.645 0.300 . 1 . . . . 63 ALA CB . 11085 1 703 . 1 1 63 63 ALA N N 15 121.446 0.300 . 1 . . . . 63 ALA N . 11085 1 704 . 1 1 64 64 LEU H H 1 8.617 0.030 . 1 . . . . 64 LEU H . 11085 1 705 . 1 1 64 64 LEU HA H 1 3.859 0.030 . 1 . . . . 64 LEU HA . 11085 1 706 . 1 1 64 64 LEU HB2 H 1 1.613 0.030 . 2 . . . . 64 LEU HB2 . 11085 1 707 . 1 1 64 64 LEU HB3 H 1 1.548 0.030 . 2 . . . . 64 LEU HB3 . 11085 1 708 . 1 1 64 64 LEU HD11 H 1 0.803 0.030 . 1 . . . . 64 LEU HD1 . 11085 1 709 . 1 1 64 64 LEU HD12 H 1 0.803 0.030 . 1 . . . . 64 LEU HD1 . 11085 1 710 . 1 1 64 64 LEU HD13 H 1 0.803 0.030 . 1 . . . . 64 LEU HD1 . 11085 1 711 . 1 1 64 64 LEU HD21 H 1 0.819 0.030 . 1 . . . . 64 LEU HD2 . 11085 1 712 . 1 1 64 64 LEU HD22 H 1 0.819 0.030 . 1 . . . . 64 LEU HD2 . 11085 1 713 . 1 1 64 64 LEU HD23 H 1 0.819 0.030 . 1 . . . . 64 LEU HD2 . 11085 1 714 . 1 1 64 64 LEU HG H 1 1.544 0.030 . 1 . . . . 64 LEU HG . 11085 1 715 . 1 1 64 64 LEU C C 13 176.150 0.300 . 1 . . . . 64 LEU C . 11085 1 716 . 1 1 64 64 LEU CA C 13 56.178 0.300 . 1 . . . . 64 LEU CA . 11085 1 717 . 1 1 64 64 LEU CB C 13 39.220 0.300 . 1 . . . . 64 LEU CB . 11085 1 718 . 1 1 64 64 LEU CD1 C 13 21.646 0.300 . 2 . . . . 64 LEU CD1 . 11085 1 719 . 1 1 64 64 LEU CD2 C 13 22.551 0.300 . 2 . . . . 64 LEU CD2 . 11085 1 720 . 1 1 64 64 LEU CG C 13 24.732 0.300 . 1 . . . . 64 LEU CG . 11085 1 721 . 1 1 64 64 LEU N N 15 119.709 0.300 . 1 . . . . 64 LEU N . 11085 1 722 . 1 1 65 65 GLU H H 1 8.229 0.030 . 1 . . . . 65 GLU H . 11085 1 723 . 1 1 65 65 GLU HA H 1 3.961 0.030 . 1 . . . . 65 GLU HA . 11085 1 724 . 1 1 65 65 GLU HB2 H 1 2.054 0.030 . 2 . . . . 65 GLU HB2 . 11085 1 725 . 1 1 65 65 GLU HB3 H 1 1.903 0.030 . 2 . . . . 65 GLU HB3 . 11085 1 726 . 1 1 65 65 GLU HG2 H 1 2.379 0.030 . 2 . . . . 65 GLU HG2 . 11085 1 727 . 1 1 65 65 GLU HG3 H 1 2.236 0.030 . 2 . . . . 65 GLU HG3 . 11085 1 728 . 1 1 65 65 GLU C C 13 177.567 0.300 . 1 . . . . 65 GLU C . 11085 1 729 . 1 1 65 65 GLU CA C 13 57.823 0.300 . 1 . . . . 65 GLU CA . 11085 1 730 . 1 1 65 65 GLU CB C 13 27.279 0.300 . 1 . . . . 65 GLU CB . 11085 1 731 . 1 1 65 65 GLU CG C 13 35.054 0.300 . 1 . . . . 65 GLU CG . 11085 1 732 . 1 1 65 65 GLU N N 15 118.243 0.300 . 1 . . . . 65 GLU N . 11085 1 733 . 1 1 66 66 ALA H H 1 8.973 0.030 . 1 . . . . 66 ALA H . 11085 1 734 . 1 1 66 66 ALA HA H 1 3.985 0.030 . 1 . . . . 66 ALA HA . 11085 1 735 . 1 1 66 66 ALA HB1 H 1 1.375 0.030 . 1 . . . . 66 ALA HB . 11085 1 736 . 1 1 66 66 ALA HB2 H 1 1.375 0.030 . 1 . . . . 66 ALA HB . 11085 1 737 . 1 1 66 66 ALA HB3 H 1 1.375 0.030 . 1 . . . . 66 ALA HB . 11085 1 738 . 1 1 66 66 ALA C C 13 176.231 0.300 . 1 . . . . 66 ALA C . 11085 1 739 . 1 1 66 66 ALA CA C 13 53.437 0.300 . 1 . . . . 66 ALA CA . 11085 1 740 . 1 1 66 66 ALA CB C 13 15.419 0.300 . 1 . . . . 66 ALA CB . 11085 1 741 . 1 1 66 66 ALA N N 15 123.718 0.300 . 1 . . . . 66 ALA N . 11085 1 742 . 1 1 67 67 THR H H 1 7.929 0.030 . 1 . . . . 67 THR H . 11085 1 743 . 1 1 67 67 THR HA H 1 4.178 0.030 . 1 . . . . 67 THR HA . 11085 1 744 . 1 1 67 67 THR HB H 1 3.753 0.030 . 1 . . . . 67 THR HB . 11085 1 745 . 1 1 67 67 THR HG21 H 1 1.204 0.030 . 1 . . . . 67 THR HG2 . 11085 1 746 . 1 1 67 67 THR HG22 H 1 1.204 0.030 . 1 . . . . 67 THR HG2 . 11085 1 747 . 1 1 67 67 THR HG23 H 1 1.204 0.030 . 1 . . . . 67 THR HG2 . 11085 1 748 . 1 1 67 67 THR C C 13 173.666 0.300 . 1 . . . . 67 THR C . 11085 1 749 . 1 1 67 67 THR CA C 13 65.793 0.300 . 1 . . . . 67 THR CA . 11085 1 750 . 1 1 67 67 THR CB C 13 65.765 0.300 . 1 . . . . 67 THR CB . 11085 1 751 . 1 1 67 67 THR CG2 C 13 19.747 0.300 . 1 . . . . 67 THR CG2 . 11085 1 752 . 1 1 67 67 THR N N 15 113.966 0.300 . 1 . . . . 67 THR N . 11085 1 753 . 1 1 68 68 ALA H H 1 8.593 0.030 . 1 . . . . 68 ALA H . 11085 1 754 . 1 1 68 68 ALA HA H 1 3.901 0.030 . 1 . . . . 68 ALA HA . 11085 1 755 . 1 1 68 68 ALA HB1 H 1 1.416 0.030 . 1 . . . . 68 ALA HB . 11085 1 756 . 1 1 68 68 ALA HB2 H 1 1.416 0.030 . 1 . . . . 68 ALA HB . 11085 1 757 . 1 1 68 68 ALA HB3 H 1 1.416 0.030 . 1 . . . . 68 ALA HB . 11085 1 758 . 1 1 68 68 ALA C C 13 178.079 0.300 . 1 . . . . 68 ALA C . 11085 1 759 . 1 1 68 68 ALA CA C 13 53.242 0.300 . 1 . . . . 68 ALA CA . 11085 1 760 . 1 1 68 68 ALA CB C 13 15.913 0.300 . 1 . . . . 68 ALA CB . 11085 1 761 . 1 1 68 68 ALA N N 15 121.146 0.300 . 1 . . . . 68 ALA N . 11085 1 762 . 1 1 69 69 TRP H H 1 8.108 0.030 . 1 . . . . 69 TRP H . 11085 1 763 . 1 1 69 69 TRP HA H 1 4.186 0.030 . 1 . . . . 69 TRP HA . 11085 1 764 . 1 1 69 69 TRP HB2 H 1 3.253 0.030 . 2 . . . . 69 TRP HB2 . 11085 1 765 . 1 1 69 69 TRP HB3 H 1 3.519 0.030 . 2 . . . . 69 TRP HB3 . 11085 1 766 . 1 1 69 69 TRP HD1 H 1 7.127 0.030 . 1 . . . . 69 TRP HD1 . 11085 1 767 . 1 1 69 69 TRP HE1 H 1 10.167 0.030 . 1 . . . . 69 TRP HE1 . 11085 1 768 . 1 1 69 69 TRP HE3 H 1 7.642 0.030 . 1 . . . . 69 TRP HE3 . 11085 1 769 . 1 1 69 69 TRP HH2 H 1 7.042 0.030 . 1 . . . . 69 TRP HH2 . 11085 1 770 . 1 1 69 69 TRP HZ2 H 1 7.380 0.030 . 1 . . . . 69 TRP HZ2 . 11085 1 771 . 1 1 69 69 TRP HZ3 H 1 6.909 0.030 . 1 . . . . 69 TRP HZ3 . 11085 1 772 . 1 1 69 69 TRP C C 13 174.901 0.300 . 1 . . . . 69 TRP C . 11085 1 773 . 1 1 69 69 TRP CA C 13 58.920 0.300 . 1 . . . . 69 TRP CA . 11085 1 774 . 1 1 69 69 TRP CB C 13 26.176 0.300 . 1 . . . . 69 TRP CB . 11085 1 775 . 1 1 69 69 TRP CD1 C 13 123.637 0.300 . 1 . . . . 69 TRP CD1 . 11085 1 776 . 1 1 69 69 TRP CE3 C 13 119.034 0.300 . 1 . . . . 69 TRP CE3 . 11085 1 777 . 1 1 69 69 TRP CH2 C 13 121.938 0.300 . 1 . . . . 69 TRP CH2 . 11085 1 778 . 1 1 69 69 TRP CZ2 C 13 112.066 0.300 . 1 . . . . 69 TRP CZ2 . 11085 1 779 . 1 1 69 69 TRP CZ3 C 13 118.872 0.300 . 1 . . . . 69 TRP CZ3 . 11085 1 780 . 1 1 69 69 TRP N N 15 120.027 0.300 . 1 . . . . 69 TRP N . 11085 1 781 . 1 1 69 69 TRP NE1 N 15 128.095 0.300 . 1 . . . . 69 TRP NE1 . 11085 1 782 . 1 1 70 70 ALA H H 1 8.114 0.030 . 1 . . . . 70 ALA H . 11085 1 783 . 1 1 70 70 ALA HA H 1 3.664 0.030 . 1 . . . . 70 ALA HA . 11085 1 784 . 1 1 70 70 ALA HB1 H 1 1.666 0.030 . 1 . . . . 70 ALA HB . 11085 1 785 . 1 1 70 70 ALA HB2 H 1 1.666 0.030 . 1 . . . . 70 ALA HB . 11085 1 786 . 1 1 70 70 ALA HB3 H 1 1.666 0.030 . 1 . . . . 70 ALA HB . 11085 1 787 . 1 1 70 70 ALA C C 13 177.279 0.300 . 1 . . . . 70 ALA C . 11085 1 788 . 1 1 70 70 ALA CA C 13 53.684 0.300 . 1 . . . . 70 ALA CA . 11085 1 789 . 1 1 70 70 ALA CB C 13 16.413 0.300 . 1 . . . . 70 ALA CB . 11085 1 790 . 1 1 70 70 ALA N N 15 121.065 0.300 . 1 . . . . 70 ALA N . 11085 1 791 . 1 1 71 71 LEU H H 1 8.377 0.030 . 1 . . . . 71 LEU H . 11085 1 792 . 1 1 71 71 LEU HA H 1 4.089 0.030 . 1 . . . . 71 LEU HA . 11085 1 793 . 1 1 71 71 LEU HB2 H 1 1.742 0.030 . 2 . . . . 71 LEU HB2 . 11085 1 794 . 1 1 71 71 LEU HB3 H 1 1.427 0.030 . 2 . . . . 71 LEU HB3 . 11085 1 795 . 1 1 71 71 LEU HD11 H 1 0.728 0.030 . 1 . . . . 71 LEU HD1 . 11085 1 796 . 1 1 71 71 LEU HD12 H 1 0.728 0.030 . 1 . . . . 71 LEU HD1 . 11085 1 797 . 1 1 71 71 LEU HD13 H 1 0.728 0.030 . 1 . . . . 71 LEU HD1 . 11085 1 798 . 1 1 71 71 LEU HD21 H 1 0.579 0.030 . 1 . . . . 71 LEU HD2 . 11085 1 799 . 1 1 71 71 LEU HD22 H 1 0.579 0.030 . 1 . . . . 71 LEU HD2 . 11085 1 800 . 1 1 71 71 LEU HD23 H 1 0.579 0.030 . 1 . . . . 71 LEU HD2 . 11085 1 801 . 1 1 71 71 LEU HG H 1 1.828 0.030 . 1 . . . . 71 LEU HG . 11085 1 802 . 1 1 71 71 LEU C C 13 179.366 0.300 . 1 . . . . 71 LEU C . 11085 1 803 . 1 1 71 71 LEU CA C 13 55.627 0.300 . 1 . . . . 71 LEU CA . 11085 1 804 . 1 1 71 71 LEU CB C 13 39.874 0.300 . 1 . . . . 71 LEU CB . 11085 1 805 . 1 1 71 71 LEU CD1 C 13 22.858 0.300 . 2 . . . . 71 LEU CD1 . 11085 1 806 . 1 1 71 71 LEU CD2 C 13 21.807 0.300 . 2 . . . . 71 LEU CD2 . 11085 1 807 . 1 1 71 71 LEU CG C 13 25.669 0.300 . 1 . . . . 71 LEU CG . 11085 1 808 . 1 1 71 71 LEU N N 15 115.492 0.300 . 1 . . . . 71 LEU N . 11085 1 809 . 1 1 72 72 LYS H H 1 7.801 0.030 . 1 . . . . 72 LYS H . 11085 1 810 . 1 1 72 72 LYS HA H 1 4.160 0.030 . 1 . . . . 72 LYS HA . 11085 1 811 . 1 1 72 72 LYS HB2 H 1 1.884 0.030 . 2 . . . . 72 LYS HB2 . 11085 1 812 . 1 1 72 72 LYS HB3 H 1 1.817 0.030 . 2 . . . . 72 LYS HB3 . 11085 1 813 . 1 1 72 72 LYS HD2 H 1 1.586 0.030 . 1 . . . . 72 LYS HD2 . 11085 1 814 . 1 1 72 72 LYS HD3 H 1 1.586 0.030 . 1 . . . . 72 LYS HD3 . 11085 1 815 . 1 1 72 72 LYS HE2 H 1 2.824 0.030 . 1 . . . . 72 LYS HE2 . 11085 1 816 . 1 1 72 72 LYS HE3 H 1 2.824 0.030 . 1 . . . . 72 LYS HE3 . 11085 1 817 . 1 1 72 72 LYS HG2 H 1 1.223 0.030 . 2 . . . . 72 LYS HG2 . 11085 1 818 . 1 1 72 72 LYS HG3 H 1 1.393 0.030 . 2 . . . . 72 LYS HG3 . 11085 1 819 . 1 1 72 72 LYS C C 13 176.119 0.300 . 1 . . . . 72 LYS C . 11085 1 820 . 1 1 72 72 LYS CA C 13 56.817 0.300 . 1 . . . . 72 LYS CA . 11085 1 821 . 1 1 72 72 LYS CB C 13 29.646 0.300 . 1 . . . . 72 LYS CB . 11085 1 822 . 1 1 72 72 LYS CD C 13 26.658 0.300 . 1 . . . . 72 LYS CD . 11085 1 823 . 1 1 72 72 LYS CE C 13 39.571 0.300 . 1 . . . . 72 LYS CE . 11085 1 824 . 1 1 72 72 LYS CG C 13 22.059 0.300 . 1 . . . . 72 LYS CG . 11085 1 825 . 1 1 72 72 LYS N N 15 121.913 0.300 . 1 . . . . 72 LYS N . 11085 1 826 . 1 1 73 73 VAL H H 1 8.314 0.030 . 1 . . . . 73 VAL H . 11085 1 827 . 1 1 73 73 VAL HA H 1 3.530 0.030 . 1 . . . . 73 VAL HA . 11085 1 828 . 1 1 73 73 VAL HB H 1 1.459 0.030 . 1 . . . . 73 VAL HB . 11085 1 829 . 1 1 73 73 VAL HG11 H 1 0.519 0.030 . 1 . . . . 73 VAL HG1 . 11085 1 830 . 1 1 73 73 VAL HG12 H 1 0.519 0.030 . 1 . . . . 73 VAL HG1 . 11085 1 831 . 1 1 73 73 VAL HG13 H 1 0.519 0.030 . 1 . . . . 73 VAL HG1 . 11085 1 832 . 1 1 73 73 VAL HG21 H 1 0.220 0.030 . 1 . . . . 73 VAL HG2 . 11085 1 833 . 1 1 73 73 VAL HG22 H 1 0.220 0.030 . 1 . . . . 73 VAL HG2 . 11085 1 834 . 1 1 73 73 VAL HG23 H 1 0.220 0.030 . 1 . . . . 73 VAL HG2 . 11085 1 835 . 1 1 73 73 VAL C C 13 176.706 0.300 . 1 . . . . 73 VAL C . 11085 1 836 . 1 1 73 73 VAL CA C 13 63.985 0.300 . 1 . . . . 73 VAL CA . 11085 1 837 . 1 1 73 73 VAL CB C 13 29.291 0.300 . 1 . . . . 73 VAL CB . 11085 1 838 . 1 1 73 73 VAL CG1 C 13 19.692 0.300 . 2 . . . . 73 VAL CG1 . 11085 1 839 . 1 1 73 73 VAL CG2 C 13 19.273 0.300 . 2 . . . . 73 VAL CG2 . 11085 1 840 . 1 1 73 73 VAL N N 15 120.352 0.300 . 1 . . . . 73 VAL N . 11085 1 841 . 1 1 74 74 ALA H H 1 8.849 0.030 . 1 . . . . 74 ALA H . 11085 1 842 . 1 1 74 74 ALA HA H 1 3.859 0.030 . 1 . . . . 74 ALA HA . 11085 1 843 . 1 1 74 74 ALA HB1 H 1 1.561 0.030 . 1 . . . . 74 ALA HB . 11085 1 844 . 1 1 74 74 ALA HB2 H 1 1.561 0.030 . 1 . . . . 74 ALA HB . 11085 1 845 . 1 1 74 74 ALA HB3 H 1 1.561 0.030 . 1 . . . . 74 ALA HB . 11085 1 846 . 1 1 74 74 ALA C C 13 177.417 0.300 . 1 . . . . 74 ALA C . 11085 1 847 . 1 1 74 74 ALA CA C 13 52.959 0.300 . 1 . . . . 74 ALA CA . 11085 1 848 . 1 1 74 74 ALA CB C 13 16.367 0.300 . 1 . . . . 74 ALA CB . 11085 1 849 . 1 1 74 74 ALA N N 15 121.287 0.300 . 1 . . . . 74 ALA N . 11085 1 850 . 1 1 75 75 GLU H H 1 7.434 0.030 . 1 . . . . 75 GLU H . 11085 1 851 . 1 1 75 75 GLU HA H 1 3.940 0.030 . 1 . . . . 75 GLU HA . 11085 1 852 . 1 1 75 75 GLU HB2 H 1 2.114 0.030 . 2 . . . . 75 GLU HB2 . 11085 1 853 . 1 1 75 75 GLU HB3 H 1 1.857 0.030 . 2 . . . . 75 GLU HB3 . 11085 1 854 . 1 1 75 75 GLU HG2 H 1 1.933 0.030 . 2 . . . . 75 GLU HG2 . 11085 1 855 . 1 1 75 75 GLU HG3 H 1 2.030 0.030 . 2 . . . . 75 GLU HG3 . 11085 1 856 . 1 1 75 75 GLU C C 13 175.950 0.300 . 1 . . . . 75 GLU C . 11085 1 857 . 1 1 75 75 GLU CA C 13 57.126 0.300 . 1 . . . . 75 GLU CA . 11085 1 858 . 1 1 75 75 GLU CB C 13 27.892 0.300 . 1 . . . . 75 GLU CB . 11085 1 859 . 1 1 75 75 GLU CG C 13 33.513 0.300 . 1 . . . . 75 GLU CG . 11085 1 860 . 1 1 75 75 GLU N N 15 117.838 0.300 . 1 . . . . 75 GLU N . 11085 1 861 . 1 1 76 76 ASN H H 1 8.438 0.030 . 1 . . . . 76 ASN H . 11085 1 862 . 1 1 76 76 ASN HA H 1 4.282 0.030 . 1 . . . . 76 ASN HA . 11085 1 863 . 1 1 76 76 ASN HB2 H 1 2.717 0.030 . 1 . . . . 76 ASN HB2 . 11085 1 864 . 1 1 76 76 ASN HB3 H 1 2.717 0.030 . 1 . . . . 76 ASN HB3 . 11085 1 865 . 1 1 76 76 ASN HD21 H 1 7.538 0.030 . 2 . . . . 76 ASN HD21 . 11085 1 866 . 1 1 76 76 ASN HD22 H 1 6.857 0.030 . 2 . . . . 76 ASN HD22 . 11085 1 867 . 1 1 76 76 ASN C C 13 174.525 0.300 . 1 . . . . 76 ASN C . 11085 1 868 . 1 1 76 76 ASN CA C 13 53.808 0.300 . 1 . . . . 76 ASN CA . 11085 1 869 . 1 1 76 76 ASN CB C 13 36.779 0.300 . 1 . . . . 76 ASN CB . 11085 1 870 . 1 1 76 76 ASN N N 15 116.514 0.300 . 1 . . . . 76 ASN N . 11085 1 871 . 1 1 76 76 ASN ND2 N 15 111.626 0.300 . 1 . . . . 76 ASN ND2 . 11085 1 872 . 1 1 77 77 GLU H H 1 8.877 0.030 . 1 . . . . 77 GLU H . 11085 1 873 . 1 1 77 77 GLU HA H 1 4.538 0.030 . 1 . . . . 77 GLU HA . 11085 1 874 . 1 1 77 77 GLU HB2 H 1 2.024 0.030 . 2 . . . . 77 GLU HB2 . 11085 1 875 . 1 1 77 77 GLU HB3 H 1 1.743 0.030 . 2 . . . . 77 GLU HB3 . 11085 1 876 . 1 1 77 77 GLU HG2 H 1 2.175 0.030 . 1 . . . . 77 GLU HG2 . 11085 1 877 . 1 1 77 77 GLU HG3 H 1 2.175 0.030 . 1 . . . . 77 GLU HG3 . 11085 1 878 . 1 1 77 77 GLU C C 13 175.473 0.300 . 1 . . . . 77 GLU C . 11085 1 879 . 1 1 77 77 GLU CA C 13 54.180 0.300 . 1 . . . . 77 GLU CA . 11085 1 880 . 1 1 77 77 GLU CB C 13 27.487 0.300 . 1 . . . . 77 GLU CB . 11085 1 881 . 1 1 77 77 GLU CG C 13 33.430 0.300 . 1 . . . . 77 GLU CG . 11085 1 882 . 1 1 77 77 GLU N N 15 113.762 0.300 . 1 . . . . 77 GLU N . 11085 1 883 . 1 1 78 78 LEU H H 1 6.750 0.030 . 1 . . . . 78 LEU H . 11085 1 884 . 1 1 78 78 LEU HA H 1 4.659 0.030 . 1 . . . . 78 LEU HA . 11085 1 885 . 1 1 78 78 LEU HB2 H 1 2.221 0.030 . 2 . . . . 78 LEU HB2 . 11085 1 886 . 1 1 78 78 LEU HB3 H 1 1.749 0.030 . 2 . . . . 78 LEU HB3 . 11085 1 887 . 1 1 78 78 LEU HD11 H 1 0.825 0.030 . 1 . . . . 78 LEU HD1 . 11085 1 888 . 1 1 78 78 LEU HD12 H 1 0.825 0.030 . 1 . . . . 78 LEU HD1 . 11085 1 889 . 1 1 78 78 LEU HD13 H 1 0.825 0.030 . 1 . . . . 78 LEU HD1 . 11085 1 890 . 1 1 78 78 LEU HD21 H 1 0.756 0.030 . 1 . . . . 78 LEU HD2 . 11085 1 891 . 1 1 78 78 LEU HD22 H 1 0.756 0.030 . 1 . . . . 78 LEU HD2 . 11085 1 892 . 1 1 78 78 LEU HD23 H 1 0.756 0.030 . 1 . . . . 78 LEU HD2 . 11085 1 893 . 1 1 78 78 LEU HG H 1 1.450 0.030 . 1 . . . . 78 LEU HG . 11085 1 894 . 1 1 78 78 LEU C C 13 174.607 0.300 . 1 . . . . 78 LEU C . 11085 1 895 . 1 1 78 78 LEU CA C 13 52.252 0.300 . 1 . . . . 78 LEU CA . 11085 1 896 . 1 1 78 78 LEU CB C 13 40.303 0.300 . 1 . . . . 78 LEU CB . 11085 1 897 . 1 1 78 78 LEU CD1 C 13 24.302 0.300 . 2 . . . . 78 LEU CD1 . 11085 1 898 . 1 1 78 78 LEU CD2 C 13 21.253 0.300 . 2 . . . . 78 LEU CD2 . 11085 1 899 . 1 1 78 78 LEU CG C 13 25.378 0.300 . 1 . . . . 78 LEU CG . 11085 1 900 . 1 1 78 78 LEU N N 15 114.217 0.300 . 1 . . . . 78 LEU N . 11085 1 901 . 1 1 79 79 GLY H H 1 7.027 0.030 . 1 . . . . 79 GLY H . 11085 1 902 . 1 1 79 79 GLY HA2 H 1 3.773 0.030 . 2 . . . . 79 GLY HA2 . 11085 1 903 . 1 1 79 79 GLY HA3 H 1 3.850 0.030 . 2 . . . . 79 GLY HA3 . 11085 1 904 . 1 1 79 79 GLY C C 13 172.010 0.300 . 1 . . . . 79 GLY C . 11085 1 905 . 1 1 79 79 GLY CA C 13 44.147 0.300 . 1 . . . . 79 GLY CA . 11085 1 906 . 1 1 79 79 GLY N N 15 106.869 0.300 . 1 . . . . 79 GLY N . 11085 1 907 . 1 1 80 80 ILE H H 1 7.735 0.030 . 1 . . . . 80 ILE H . 11085 1 908 . 1 1 80 80 ILE HA H 1 3.859 0.030 . 1 . . . . 80 ILE HA . 11085 1 909 . 1 1 80 80 ILE HB H 1 1.210 0.030 . 1 . . . . 80 ILE HB . 11085 1 910 . 1 1 80 80 ILE HD11 H 1 -0.077 0.030 . 1 . . . . 80 ILE HD1 . 11085 1 911 . 1 1 80 80 ILE HD12 H 1 -0.077 0.030 . 1 . . . . 80 ILE HD1 . 11085 1 912 . 1 1 80 80 ILE HD13 H 1 -0.077 0.030 . 1 . . . . 80 ILE HD1 . 11085 1 913 . 1 1 80 80 ILE HG12 H 1 0.730 0.030 . 2 . . . . 80 ILE HG12 . 11085 1 914 . 1 1 80 80 ILE HG13 H 1 0.371 0.030 . 2 . . . . 80 ILE HG13 . 11085 1 915 . 1 1 80 80 ILE HG21 H 1 0.098 0.030 . 1 . . . . 80 ILE HG2 . 11085 1 916 . 1 1 80 80 ILE HG22 H 1 0.098 0.030 . 1 . . . . 80 ILE HG2 . 11085 1 917 . 1 1 80 80 ILE HG23 H 1 0.098 0.030 . 1 . . . . 80 ILE HG2 . 11085 1 918 . 1 1 80 80 ILE C C 13 173.036 0.300 . 1 . . . . 80 ILE C . 11085 1 919 . 1 1 80 80 ILE CA C 13 56.214 0.300 . 1 . . . . 80 ILE CA . 11085 1 920 . 1 1 80 80 ILE CB C 13 34.125 0.300 . 1 . . . . 80 ILE CB . 11085 1 921 . 1 1 80 80 ILE CD1 C 13 7.325 0.300 . 1 . . . . 80 ILE CD1 . 11085 1 922 . 1 1 80 80 ILE CG1 C 13 22.879 0.300 . 1 . . . . 80 ILE CG1 . 11085 1 923 . 1 1 80 80 ILE CG2 C 13 14.638 0.300 . 1 . . . . 80 ILE CG2 . 11085 1 924 . 1 1 80 80 ILE N N 15 121.160 0.300 . 1 . . . . 80 ILE N . 11085 1 925 . 1 1 81 81 THR H H 1 8.081 0.030 . 1 . . . . 81 THR H . 11085 1 926 . 1 1 81 81 THR HA H 1 4.116 0.030 . 1 . . . . 81 THR HA . 11085 1 927 . 1 1 81 81 THR HB H 1 3.881 0.030 . 1 . . . . 81 THR HB . 11085 1 928 . 1 1 81 81 THR HG21 H 1 1.109 0.030 . 1 . . . . 81 THR HG2 . 11085 1 929 . 1 1 81 81 THR HG22 H 1 1.109 0.030 . 1 . . . . 81 THR HG2 . 11085 1 930 . 1 1 81 81 THR HG23 H 1 1.109 0.030 . 1 . . . . 81 THR HG2 . 11085 1 931 . 1 1 81 81 THR C C 13 170.553 0.300 . 1 . . . . 81 THR C . 11085 1 932 . 1 1 81 81 THR CA C 13 58.955 0.300 . 1 . . . . 81 THR CA . 11085 1 933 . 1 1 81 81 THR CB C 13 67.256 0.300 . 1 . . . . 81 THR CB . 11085 1 934 . 1 1 81 81 THR CG2 C 13 18.955 0.300 . 1 . . . . 81 THR CG2 . 11085 1 935 . 1 1 81 81 THR N N 15 126.378 0.300 . 1 . . . . 81 THR N . 11085 1 936 . 1 1 82 82 PRO HA H 1 4.443 0.030 . 1 . . . . 82 PRO HA . 11085 1 937 . 1 1 82 82 PRO HB2 H 1 1.966 0.030 . 2 . . . . 82 PRO HB2 . 11085 1 938 . 1 1 82 82 PRO HB3 H 1 1.857 0.030 . 2 . . . . 82 PRO HB3 . 11085 1 939 . 1 1 82 82 PRO HD2 H 1 3.609 0.030 . 1 . . . . 82 PRO HD2 . 11085 1 940 . 1 1 82 82 PRO HD3 H 1 3.609 0.030 . 1 . . . . 82 PRO HD3 . 11085 1 941 . 1 1 82 82 PRO HG2 H 1 2.002 0.030 . 2 . . . . 82 PRO HG2 . 11085 1 942 . 1 1 82 82 PRO C C 13 174.396 0.300 . 1 . . . . 82 PRO C . 11085 1 943 . 1 1 82 82 PRO CA C 13 60.936 0.300 . 1 . . . . 82 PRO CA . 11085 1 944 . 1 1 82 82 PRO CB C 13 28.407 0.300 . 1 . . . . 82 PRO CB . 11085 1 945 . 1 1 82 82 PRO CD C 13 48.949 0.300 . 1 . . . . 82 PRO CD . 11085 1 946 . 1 1 82 82 PRO CG C 13 25.434 0.300 . 1 . . . . 82 PRO CG . 11085 1 947 . 1 1 83 83 VAL H H 1 7.095 0.030 . 1 . . . . 83 VAL H . 11085 1 948 . 1 1 83 83 VAL HA H 1 4.026 0.030 . 1 . . . . 83 VAL HA . 11085 1 949 . 1 1 83 83 VAL HB H 1 2.034 0.030 . 1 . . . . 83 VAL HB . 11085 1 950 . 1 1 83 83 VAL HG11 H 1 0.902 0.030 . 1 . . . . 83 VAL HG1 . 11085 1 951 . 1 1 83 83 VAL HG12 H 1 0.902 0.030 . 1 . . . . 83 VAL HG1 . 11085 1 952 . 1 1 83 83 VAL HG13 H 1 0.902 0.030 . 1 . . . . 83 VAL HG1 . 11085 1 953 . 1 1 83 83 VAL HG21 H 1 0.877 0.030 . 1 . . . . 83 VAL HG2 . 11085 1 954 . 1 1 83 83 VAL HG22 H 1 0.877 0.030 . 1 . . . . 83 VAL HG2 . 11085 1 955 . 1 1 83 83 VAL HG23 H 1 0.877 0.030 . 1 . . . . 83 VAL HG2 . 11085 1 956 . 1 1 83 83 VAL C C 13 171.741 0.300 . 1 . . . . 83 VAL C . 11085 1 957 . 1 1 83 83 VAL CA C 13 60.158 0.300 . 1 . . . . 83 VAL CA . 11085 1 958 . 1 1 83 83 VAL CB C 13 30.678 0.300 . 1 . . . . 83 VAL CB . 11085 1 959 . 1 1 83 83 VAL CG1 C 13 17.686 0.300 . 2 . . . . 83 VAL CG1 . 11085 1 960 . 1 1 83 83 VAL CG2 C 13 19.252 0.300 . 2 . . . . 83 VAL CG2 . 11085 1 961 . 1 1 83 83 VAL N N 15 118.770 0.300 . 1 . . . . 83 VAL N . 11085 1 962 . 1 1 84 84 VAL H H 1 6.832 0.030 . 1 . . . . 84 VAL H . 11085 1 963 . 1 1 84 84 VAL HA H 1 4.415 0.030 . 1 . . . . 84 VAL HA . 11085 1 964 . 1 1 84 84 VAL HB H 1 1.650 0.030 . 1 . . . . 84 VAL HB . 11085 1 965 . 1 1 84 84 VAL HG11 H 1 0.613 0.030 . 1 . . . . 84 VAL HG1 . 11085 1 966 . 1 1 84 84 VAL HG12 H 1 0.613 0.030 . 1 . . . . 84 VAL HG1 . 11085 1 967 . 1 1 84 84 VAL HG13 H 1 0.613 0.030 . 1 . . . . 84 VAL HG1 . 11085 1 968 . 1 1 84 84 VAL HG21 H 1 0.444 0.030 . 1 . . . . 84 VAL HG2 . 11085 1 969 . 1 1 84 84 VAL HG22 H 1 0.444 0.030 . 1 . . . . 84 VAL HG2 . 11085 1 970 . 1 1 84 84 VAL HG23 H 1 0.444 0.030 . 1 . . . . 84 VAL HG2 . 11085 1 971 . 1 1 84 84 VAL C C 13 170.912 0.300 . 1 . . . . 84 VAL C . 11085 1 972 . 1 1 84 84 VAL CA C 13 55.624 0.300 . 1 . . . . 84 VAL CA . 11085 1 973 . 1 1 84 84 VAL CB C 13 32.442 0.300 . 1 . . . . 84 VAL CB . 11085 1 974 . 1 1 84 84 VAL CG1 C 13 17.642 0.300 . 2 . . . . 84 VAL CG1 . 11085 1 975 . 1 1 84 84 VAL CG2 C 13 18.446 0.300 . 2 . . . . 84 VAL CG2 . 11085 1 976 . 1 1 84 84 VAL N N 15 114.186 0.300 . 1 . . . . 84 VAL N . 11085 1 977 . 1 1 85 85 SER H H 1 8.082 0.030 . 1 . . . . 85 SER H . 11085 1 978 . 1 1 85 85 SER HA H 1 4.327 0.030 . 1 . . . . 85 SER HA . 11085 1 979 . 1 1 85 85 SER HB2 H 1 4.134 0.030 . 2 . . . . 85 SER HB2 . 11085 1 980 . 1 1 85 85 SER HB3 H 1 3.800 0.030 . 2 . . . . 85 SER HB3 . 11085 1 981 . 1 1 85 85 SER C C 13 172.245 0.300 . 1 . . . . 85 SER C . 11085 1 982 . 1 1 85 85 SER CA C 13 54.144 0.300 . 1 . . . . 85 SER CA . 11085 1 983 . 1 1 85 85 SER CB C 13 62.981 0.300 . 1 . . . . 85 SER CB . 11085 1 984 . 1 1 85 85 SER N N 15 118.284 0.300 . 1 . . . . 85 SER N . 11085 1 985 . 1 1 86 86 ALA H H 1 8.802 0.030 . 1 . . . . 86 ALA H . 11085 1 986 . 1 1 86 86 ALA HA H 1 3.820 0.030 . 1 . . . . 86 ALA HA . 11085 1 987 . 1 1 86 86 ALA HB1 H 1 1.294 0.030 . 1 . . . . 86 ALA HB . 11085 1 988 . 1 1 86 86 ALA HB2 H 1 1.294 0.030 . 1 . . . . 86 ALA HB . 11085 1 989 . 1 1 86 86 ALA HB3 H 1 1.294 0.030 . 1 . . . . 86 ALA HB . 11085 1 990 . 1 1 86 86 ALA C C 13 176.675 0.300 . 1 . . . . 86 ALA C . 11085 1 991 . 1 1 86 86 ALA CA C 13 53.031 0.300 . 1 . . . . 86 ALA CA . 11085 1 992 . 1 1 86 86 ALA CB C 13 15.460 0.300 . 1 . . . . 86 ALA CB . 11085 1 993 . 1 1 86 86 ALA N N 15 123.273 0.300 . 1 . . . . 86 ALA N . 11085 1 994 . 1 1 87 87 GLN H H 1 8.374 0.030 . 1 . . . . 87 GLN H . 11085 1 995 . 1 1 87 87 GLN HA H 1 3.731 0.030 . 1 . . . . 87 GLN HA . 11085 1 996 . 1 1 87 87 GLN HB2 H 1 1.973 0.030 . 2 . . . . 87 GLN HB2 . 11085 1 997 . 1 1 87 87 GLN HB3 H 1 1.817 0.030 . 2 . . . . 87 GLN HB3 . 11085 1 998 . 1 1 87 87 GLN HE21 H 1 7.327 0.030 . 2 . . . . 87 GLN HE21 . 11085 1 999 . 1 1 87 87 GLN HE22 H 1 6.816 0.030 . 2 . . . . 87 GLN HE22 . 11085 1 1000 . 1 1 87 87 GLN HG2 H 1 2.386 0.030 . 2 . . . . 87 GLN HG2 . 11085 1 1001 . 1 1 87 87 GLN HG3 H 1 2.300 0.030 . 2 . . . . 87 GLN HG3 . 11085 1 1002 . 1 1 87 87 GLN C C 13 175.526 0.300 . 1 . . . . 87 GLN C . 11085 1 1003 . 1 1 87 87 GLN CA C 13 56.621 0.300 . 1 . . . . 87 GLN CA . 11085 1 1004 . 1 1 87 87 GLN CB C 13 25.434 0.300 . 1 . . . . 87 GLN CB . 11085 1 1005 . 1 1 87 87 GLN CG C 13 31.534 0.300 . 1 . . . . 87 GLN CG . 11085 1 1006 . 1 1 87 87 GLN N N 15 114.115 0.300 . 1 . . . . 87 GLN N . 11085 1 1007 . 1 1 87 87 GLN NE2 N 15 111.301 0.300 . 1 . . . . 87 GLN NE2 . 11085 1 1008 . 1 1 88 88 ALA H H 1 7.669 0.030 . 1 . . . . 88 ALA H . 11085 1 1009 . 1 1 88 88 ALA HA H 1 4.182 0.030 . 1 . . . . 88 ALA HA . 11085 1 1010 . 1 1 88 88 ALA HB1 H 1 1.325 0.030 . 1 . . . . 88 ALA HB . 11085 1 1011 . 1 1 88 88 ALA HB2 H 1 1.325 0.030 . 1 . . . . 88 ALA HB . 11085 1 1012 . 1 1 88 88 ALA HB3 H 1 1.325 0.030 . 1 . . . . 88 ALA HB . 11085 1 1013 . 1 1 88 88 ALA C C 13 179.284 0.300 . 1 . . . . 88 ALA C . 11085 1 1014 . 1 1 88 88 ALA CA C 13 52.177 0.300 . 1 . . . . 88 ALA CA . 11085 1 1015 . 1 1 88 88 ALA CB C 13 16.861 0.300 . 1 . . . . 88 ALA CB . 11085 1 1016 . 1 1 88 88 ALA N N 15 121.134 0.300 . 1 . . . . 88 ALA N . 11085 1 1017 . 1 1 89 89 VAL H H 1 7.809 0.030 . 1 . . . . 89 VAL H . 11085 1 1018 . 1 1 89 89 VAL HA H 1 3.313 0.030 . 1 . . . . 89 VAL HA . 11085 1 1019 . 1 1 89 89 VAL HB H 1 2.292 0.030 . 1 . . . . 89 VAL HB . 11085 1 1020 . 1 1 89 89 VAL HG11 H 1 0.956 0.030 . 1 . . . . 89 VAL HG1 . 11085 1 1021 . 1 1 89 89 VAL HG12 H 1 0.956 0.030 . 1 . . . . 89 VAL HG1 . 11085 1 1022 . 1 1 89 89 VAL HG13 H 1 0.956 0.030 . 1 . . . . 89 VAL HG1 . 11085 1 1023 . 1 1 89 89 VAL HG21 H 1 0.853 0.030 . 1 . . . . 89 VAL HG2 . 11085 1 1024 . 1 1 89 89 VAL HG22 H 1 0.853 0.030 . 1 . . . . 89 VAL HG2 . 11085 1 1025 . 1 1 89 89 VAL HG23 H 1 0.853 0.030 . 1 . . . . 89 VAL HG2 . 11085 1 1026 . 1 1 89 89 VAL C C 13 175.982 0.300 . 1 . . . . 89 VAL C . 11085 1 1027 . 1 1 89 89 VAL CA C 13 65.381 0.300 . 1 . . . . 89 VAL CA . 11085 1 1028 . 1 1 89 89 VAL CB C 13 29.680 0.300 . 1 . . . . 89 VAL CB . 11085 1 1029 . 1 1 89 89 VAL CG1 C 13 19.748 0.300 . 2 . . . . 89 VAL CG1 . 11085 1 1030 . 1 1 89 89 VAL CG2 C 13 21.235 0.300 . 2 . . . . 89 VAL CG2 . 11085 1 1031 . 1 1 89 89 VAL N N 15 120.396 0.300 . 1 . . . . 89 VAL N . 11085 1 1032 . 1 1 90 90 VAL H H 1 7.546 0.030 . 1 . . . . 90 VAL H . 11085 1 1033 . 1 1 90 90 VAL HA H 1 4.349 0.030 . 1 . . . . 90 VAL HA . 11085 1 1034 . 1 1 90 90 VAL HB H 1 1.994 0.030 . 1 . . . . 90 VAL HB . 11085 1 1035 . 1 1 90 90 VAL HG11 H 1 0.885 0.030 . 1 . . . . 90 VAL HG1 . 11085 1 1036 . 1 1 90 90 VAL HG12 H 1 0.885 0.030 . 1 . . . . 90 VAL HG1 . 11085 1 1037 . 1 1 90 90 VAL HG13 H 1 0.885 0.030 . 1 . . . . 90 VAL HG1 . 11085 1 1038 . 1 1 90 90 VAL HG21 H 1 0.948 0.030 . 1 . . . . 90 VAL HG2 . 11085 1 1039 . 1 1 90 90 VAL HG22 H 1 0.948 0.030 . 1 . . . . 90 VAL HG2 . 11085 1 1040 . 1 1 90 90 VAL HG23 H 1 0.948 0.030 . 1 . . . . 90 VAL HG2 . 11085 1 1041 . 1 1 90 90 VAL C C 13 175.865 0.300 . 1 . . . . 90 VAL C . 11085 1 1042 . 1 1 90 90 VAL CA C 13 62.369 0.300 . 1 . . . . 90 VAL CA . 11085 1 1043 . 1 1 90 90 VAL CB C 13 29.867 0.300 . 1 . . . . 90 VAL CB . 11085 1 1044 . 1 1 90 90 VAL CG1 C 13 18.878 0.300 . 2 . . . . 90 VAL CG1 . 11085 1 1045 . 1 1 90 90 VAL CG2 C 13 19.745 0.300 . 2 . . . . 90 VAL CG2 . 11085 1 1046 . 1 1 90 90 VAL N N 15 117.016 0.300 . 1 . . . . 90 VAL N . 11085 1 1047 . 1 1 91 91 ALA H H 1 7.985 0.030 . 1 . . . . 91 ALA H . 11085 1 1048 . 1 1 91 91 ALA HA H 1 4.273 0.030 . 1 . . . . 91 ALA HA . 11085 1 1049 . 1 1 91 91 ALA HB1 H 1 1.396 0.030 . 1 . . . . 91 ALA HB . 11085 1 1050 . 1 1 91 91 ALA HB2 H 1 1.396 0.030 . 1 . . . . 91 ALA HB . 11085 1 1051 . 1 1 91 91 ALA HB3 H 1 1.396 0.030 . 1 . . . . 91 ALA HB . 11085 1 1052 . 1 1 91 91 ALA C C 13 176.365 0.300 . 1 . . . . 91 ALA C . 11085 1 1053 . 1 1 91 91 ALA CA C 13 50.071 0.300 . 1 . . . . 91 ALA CA . 11085 1 1054 . 1 1 91 91 ALA CB C 13 17.136 0.300 . 1 . . . . 91 ALA CB . 11085 1 1055 . 1 1 91 91 ALA N N 15 118.117 0.300 . 1 . . . . 91 ALA N . 11085 1 1056 . 1 1 92 92 GLY H H 1 7.773 0.030 . 1 . . . . 92 GLY H . 11085 1 1057 . 1 1 92 92 GLY HA2 H 1 3.900 0.030 . 1 . . . . 92 GLY HA2 . 11085 1 1058 . 1 1 92 92 GLY HA3 H 1 3.900 0.030 . 1 . . . . 92 GLY HA3 . 11085 1 1059 . 1 1 92 92 GLY C C 13 173.635 0.300 . 1 . . . . 92 GLY C . 11085 1 1060 . 1 1 92 92 GLY CA C 13 44.364 0.300 . 1 . . . . 92 GLY CA . 11085 1 1061 . 1 1 92 92 GLY N N 15 108.145 0.300 . 1 . . . . 92 GLY N . 11085 1 1062 . 1 1 93 93 SER H H 1 7.859 0.030 . 1 . . . . 93 SER H . 11085 1 1063 . 1 1 93 93 SER HA H 1 4.293 0.030 . 1 . . . . 93 SER HA . 11085 1 1064 . 1 1 93 93 SER HB2 H 1 3.516 0.030 . 2 . . . . 93 SER HB2 . 11085 1 1065 . 1 1 93 93 SER HB3 H 1 4.061 0.030 . 2 . . . . 93 SER HB3 . 11085 1 1066 . 1 1 93 93 SER C C 13 171.909 0.300 . 1 . . . . 93 SER C . 11085 1 1067 . 1 1 93 93 SER CA C 13 56.287 0.300 . 1 . . . . 93 SER CA . 11085 1 1068 . 1 1 93 93 SER CB C 13 61.976 0.300 . 1 . . . . 93 SER CB . 11085 1 1069 . 1 1 93 93 SER N N 15 110.476 0.300 . 1 . . . . 93 SER N . 11085 1 1070 . 1 1 94 94 ASP H H 1 8.715 0.030 . 1 . . . . 94 ASP H . 11085 1 1071 . 1 1 94 94 ASP HA H 1 4.975 0.030 . 1 . . . . 94 ASP HA . 11085 1 1072 . 1 1 94 94 ASP HB2 H 1 2.678 0.030 . 2 . . . . 94 ASP HB2 . 11085 1 1073 . 1 1 94 94 ASP HB3 H 1 2.239 0.030 . 2 . . . . 94 ASP HB3 . 11085 1 1074 . 1 1 94 94 ASP C C 13 169.921 0.300 . 1 . . . . 94 ASP C . 11085 1 1075 . 1 1 94 94 ASP CA C 13 49.334 0.300 . 1 . . . . 94 ASP CA . 11085 1 1076 . 1 1 94 94 ASP CB C 13 38.571 0.300 . 1 . . . . 94 ASP CB . 11085 1 1077 . 1 1 94 94 ASP N N 15 121.379 0.300 . 1 . . . . 94 ASP N . 11085 1 1078 . 1 1 95 95 PRO HA H 1 4.196 0.030 . 1 . . . . 95 PRO HA . 11085 1 1079 . 1 1 95 95 PRO HB2 H 1 2.240 0.030 . 2 . . . . 95 PRO HB2 . 11085 1 1080 . 1 1 95 95 PRO HB3 H 1 1.873 0.030 . 2 . . . . 95 PRO HB3 . 11085 1 1081 . 1 1 95 95 PRO HD2 H 1 3.728 0.030 . 2 . . . . 95 PRO HD2 . 11085 1 1082 . 1 1 95 95 PRO HD3 H 1 3.236 0.030 . 2 . . . . 95 PRO HD3 . 11085 1 1083 . 1 1 95 95 PRO HG2 H 1 1.966 0.030 . 1 . . . . 95 PRO HG2 . 11085 1 1084 . 1 1 95 95 PRO HG3 H 1 1.966 0.030 . 1 . . . . 95 PRO HG3 . 11085 1 1085 . 1 1 95 95 PRO C C 13 178.248 0.300 . 1 . . . . 95 PRO C . 11085 1 1086 . 1 1 95 95 PRO CA C 13 62.387 0.300 . 1 . . . . 95 PRO CA . 11085 1 1087 . 1 1 95 95 PRO CB C 13 29.671 0.300 . 1 . . . . 95 PRO CB . 11085 1 1088 . 1 1 95 95 PRO CD C 13 47.879 0.300 . 1 . . . . 95 PRO CD . 11085 1 1089 . 1 1 95 95 PRO CG C 13 25.187 0.300 . 1 . . . . 95 PRO CG . 11085 1 1090 . 1 1 96 96 LEU H H 1 8.495 0.030 . 1 . . . . 96 LEU H . 11085 1 1091 . 1 1 96 96 LEU HA H 1 4.017 0.030 . 1 . . . . 96 LEU HA . 11085 1 1092 . 1 1 96 96 LEU HB2 H 1 1.796 0.030 . 2 . . . . 96 LEU HB2 . 11085 1 1093 . 1 1 96 96 LEU HB3 H 1 1.345 0.030 . 2 . . . . 96 LEU HB3 . 11085 1 1094 . 1 1 96 96 LEU HD11 H 1 0.756 0.030 . 1 . . . . 96 LEU HD1 . 11085 1 1095 . 1 1 96 96 LEU HD12 H 1 0.756 0.030 . 1 . . . . 96 LEU HD1 . 11085 1 1096 . 1 1 96 96 LEU HD13 H 1 0.756 0.030 . 1 . . . . 96 LEU HD1 . 11085 1 1097 . 1 1 96 96 LEU HD21 H 1 0.818 0.030 . 1 . . . . 96 LEU HD2 . 11085 1 1098 . 1 1 96 96 LEU HD22 H 1 0.818 0.030 . 1 . . . . 96 LEU HD2 . 11085 1 1099 . 1 1 96 96 LEU HD23 H 1 0.818 0.030 . 1 . . . . 96 LEU HD2 . 11085 1 1100 . 1 1 96 96 LEU HG H 1 1.633 0.030 . 1 . . . . 96 LEU HG . 11085 1 1101 . 1 1 96 96 LEU C C 13 178.185 0.300 . 1 . . . . 96 LEU C . 11085 1 1102 . 1 1 96 96 LEU CA C 13 55.330 0.300 . 1 . . . . 96 LEU CA . 11085 1 1103 . 1 1 96 96 LEU CB C 13 37.817 0.300 . 1 . . . . 96 LEU CB . 11085 1 1104 . 1 1 96 96 LEU CD1 C 13 20.324 0.300 . 2 . . . . 96 LEU CD1 . 11085 1 1105 . 1 1 96 96 LEU CD2 C 13 22.560 0.300 . 2 . . . . 96 LEU CD2 . 11085 1 1106 . 1 1 96 96 LEU CG C 13 25.105 0.300 . 1 . . . . 96 LEU CG . 11085 1 1107 . 1 1 96 96 LEU N N 15 116.849 0.300 . 1 . . . . 96 LEU N . 11085 1 1108 . 1 1 97 97 GLY H H 1 7.708 0.030 . 1 . . . . 97 GLY H . 11085 1 1109 . 1 1 97 97 GLY HA2 H 1 3.732 0.030 . 2 . . . . 97 GLY HA2 . 11085 1 1110 . 1 1 97 97 GLY HA3 H 1 3.557 0.030 . 2 . . . . 97 GLY HA3 . 11085 1 1111 . 1 1 97 97 GLY C C 13 173.307 0.300 . 1 . . . . 97 GLY C . 11085 1 1112 . 1 1 97 97 GLY CA C 13 44.811 0.300 . 1 . . . . 97 GLY CA . 11085 1 1113 . 1 1 97 97 GLY N N 15 112.076 0.300 . 1 . . . . 97 GLY N . 11085 1 1114 . 1 1 98 98 LEU H H 1 7.915 0.030 . 1 . . . . 98 LEU H . 11085 1 1115 . 1 1 98 98 LEU HA H 1 4.008 0.030 . 1 . . . . 98 LEU HA . 11085 1 1116 . 1 1 98 98 LEU HB2 H 1 1.917 0.030 . 2 . . . . 98 LEU HB2 . 11085 1 1117 . 1 1 98 98 LEU HB3 H 1 1.209 0.030 . 2 . . . . 98 LEU HB3 . 11085 1 1118 . 1 1 98 98 LEU HD11 H 1 0.756 0.030 . 1 . . . . 98 LEU HD1 . 11085 1 1119 . 1 1 98 98 LEU HD12 H 1 0.756 0.030 . 1 . . . . 98 LEU HD1 . 11085 1 1120 . 1 1 98 98 LEU HD13 H 1 0.756 0.030 . 1 . . . . 98 LEU HD1 . 11085 1 1121 . 1 1 98 98 LEU HD21 H 1 0.845 0.030 . 1 . . . . 98 LEU HD2 . 11085 1 1122 . 1 1 98 98 LEU HD22 H 1 0.845 0.030 . 1 . . . . 98 LEU HD2 . 11085 1 1123 . 1 1 98 98 LEU HD23 H 1 0.845 0.030 . 1 . . . . 98 LEU HD2 . 11085 1 1124 . 1 1 98 98 LEU HG H 1 1.224 0.030 . 1 . . . . 98 LEU HG . 11085 1 1125 . 1 1 98 98 LEU C C 13 175.761 0.300 . 1 . . . . 98 LEU C . 11085 1 1126 . 1 1 98 98 LEU CA C 13 55.772 0.300 . 1 . . . . 98 LEU CA . 11085 1 1127 . 1 1 98 98 LEU CB C 13 38.706 0.300 . 1 . . . . 98 LEU CB . 11085 1 1128 . 1 1 98 98 LEU CD1 C 13 20.333 0.300 . 2 . . . . 98 LEU CD1 . 11085 1 1129 . 1 1 98 98 LEU CD2 C 13 24.314 0.300 . 2 . . . . 98 LEU CD2 . 11085 1 1130 . 1 1 98 98 LEU CG C 13 24.902 0.300 . 1 . . . . 98 LEU CG . 11085 1 1131 . 1 1 98 98 LEU N N 15 121.896 0.300 . 1 . . . . 98 LEU N . 11085 1 1132 . 1 1 99 99 ILE H H 1 7.533 0.030 . 1 . . . . 99 ILE H . 11085 1 1133 . 1 1 99 99 ILE HA H 1 3.290 0.030 . 1 . . . . 99 ILE HA . 11085 1 1134 . 1 1 99 99 ILE HB H 1 1.665 0.030 . 1 . . . . 99 ILE HB . 11085 1 1135 . 1 1 99 99 ILE HD11 H 1 0.747 0.030 . 1 . . . . 99 ILE HD1 . 11085 1 1136 . 1 1 99 99 ILE HD12 H 1 0.747 0.030 . 1 . . . . 99 ILE HD1 . 11085 1 1137 . 1 1 99 99 ILE HD13 H 1 0.747 0.030 . 1 . . . . 99 ILE HD1 . 11085 1 1138 . 1 1 99 99 ILE HG12 H 1 1.744 0.030 . 2 . . . . 99 ILE HG12 . 11085 1 1139 . 1 1 99 99 ILE HG13 H 1 0.852 0.030 . 2 . . . . 99 ILE HG13 . 11085 1 1140 . 1 1 99 99 ILE HG21 H 1 0.697 0.030 . 1 . . . . 99 ILE HG2 . 11085 1 1141 . 1 1 99 99 ILE HG22 H 1 0.697 0.030 . 1 . . . . 99 ILE HG2 . 11085 1 1142 . 1 1 99 99 ILE HG23 H 1 0.697 0.030 . 1 . . . . 99 ILE HG2 . 11085 1 1143 . 1 1 99 99 ILE C C 13 175.781 0.300 . 1 . . . . 99 ILE C . 11085 1 1144 . 1 1 99 99 ILE CA C 13 64.209 0.300 . 1 . . . . 99 ILE CA . 11085 1 1145 . 1 1 99 99 ILE CB C 13 35.665 0.300 . 1 . . . . 99 ILE CB . 11085 1 1146 . 1 1 99 99 ILE CD1 C 13 11.211 0.300 . 1 . . . . 99 ILE CD1 . 11085 1 1147 . 1 1 99 99 ILE CG1 C 13 29.059 0.300 . 1 . . . . 99 ILE CG1 . 11085 1 1148 . 1 1 99 99 ILE CG2 C 13 14.583 0.300 . 1 . . . . 99 ILE CG2 . 11085 1 1149 . 1 1 99 99 ILE N N 15 118.057 0.300 . 1 . . . . 99 ILE N . 11085 1 1150 . 1 1 100 100 ALA H H 1 7.931 0.030 . 1 . . . . 100 ALA H . 11085 1 1151 . 1 1 100 100 ALA HA H 1 3.866 0.030 . 1 . . . . 100 ALA HA . 11085 1 1152 . 1 1 100 100 ALA HB1 H 1 1.388 0.030 . 1 . . . . 100 ALA HB . 11085 1 1153 . 1 1 100 100 ALA HB2 H 1 1.388 0.030 . 1 . . . . 100 ALA HB . 11085 1 1154 . 1 1 100 100 ALA HB3 H 1 1.388 0.030 . 1 . . . . 100 ALA HB . 11085 1 1155 . 1 1 100 100 ALA C C 13 177.574 0.300 . 1 . . . . 100 ALA C . 11085 1 1156 . 1 1 100 100 ALA CA C 13 52.889 0.300 . 1 . . . . 100 ALA CA . 11085 1 1157 . 1 1 100 100 ALA CB C 13 15.378 0.300 . 1 . . . . 100 ALA CB . 11085 1 1158 . 1 1 100 100 ALA N N 15 123.223 0.300 . 1 . . . . 100 ALA N . 11085 1 1159 . 1 1 101 101 TYR H H 1 8.263 0.030 . 1 . . . . 101 TYR H . 11085 1 1160 . 1 1 101 101 TYR HA H 1 4.049 0.030 . 1 . . . . 101 TYR HA . 11085 1 1161 . 1 1 101 101 TYR HB2 H 1 3.144 0.030 . 2 . . . . 101 TYR HB2 . 11085 1 1162 . 1 1 101 101 TYR HB3 H 1 2.982 0.030 . 2 . . . . 101 TYR HB3 . 11085 1 1163 . 1 1 101 101 TYR HD1 H 1 6.874 0.030 . 1 . . . . 101 TYR HD1 . 11085 1 1164 . 1 1 101 101 TYR HD2 H 1 6.874 0.030 . 1 . . . . 101 TYR HD2 . 11085 1 1165 . 1 1 101 101 TYR HE1 H 1 6.592 0.030 . 1 . . . . 101 TYR HE1 . 11085 1 1166 . 1 1 101 101 TYR HE2 H 1 6.592 0.030 . 1 . . . . 101 TYR HE2 . 11085 1 1167 . 1 1 101 101 TYR C C 13 175.156 0.300 . 1 . . . . 101 TYR C . 11085 1 1168 . 1 1 101 101 TYR CA C 13 58.743 0.300 . 1 . . . . 101 TYR CA . 11085 1 1169 . 1 1 101 101 TYR CB C 13 36.769 0.300 . 1 . . . . 101 TYR CB . 11085 1 1170 . 1 1 101 101 TYR CD1 C 13 129.103 0.300 . 1 . . . . 101 TYR CD1 . 11085 1 1171 . 1 1 101 101 TYR CD2 C 13 129.103 0.300 . 1 . . . . 101 TYR CD2 . 11085 1 1172 . 1 1 101 101 TYR CE1 C 13 117.146 0.300 . 1 . . . . 101 TYR CE1 . 11085 1 1173 . 1 1 101 101 TYR CE2 C 13 117.146 0.300 . 1 . . . . 101 TYR CE2 . 11085 1 1174 . 1 1 101 101 TYR N N 15 119.694 0.300 . 1 . . . . 101 TYR N . 11085 1 1175 . 1 1 102 102 LEU H H 1 8.479 0.030 . 1 . . . . 102 LEU H . 11085 1 1176 . 1 1 102 102 LEU HA H 1 3.848 0.030 . 1 . . . . 102 LEU HA . 11085 1 1177 . 1 1 102 102 LEU HB2 H 1 1.633 0.030 . 2 . . . . 102 LEU HB2 . 11085 1 1178 . 1 1 102 102 LEU HB3 H 1 0.870 0.030 . 2 . . . . 102 LEU HB3 . 11085 1 1179 . 1 1 102 102 LEU HD11 H 1 -0.409 0.030 . 1 . . . . 102 LEU HD1 . 11085 1 1180 . 1 1 102 102 LEU HD12 H 1 -0.409 0.030 . 1 . . . . 102 LEU HD1 . 11085 1 1181 . 1 1 102 102 LEU HD13 H 1 -0.409 0.030 . 1 . . . . 102 LEU HD1 . 11085 1 1182 . 1 1 102 102 LEU HD21 H 1 -0.173 0.030 . 1 . . . . 102 LEU HD2 . 11085 1 1183 . 1 1 102 102 LEU HD22 H 1 -0.173 0.030 . 1 . . . . 102 LEU HD2 . 11085 1 1184 . 1 1 102 102 LEU HD23 H 1 -0.173 0.030 . 1 . . . . 102 LEU HD2 . 11085 1 1185 . 1 1 102 102 LEU HG H 1 1.380 0.030 . 1 . . . . 102 LEU HG . 11085 1 1186 . 1 1 102 102 LEU C C 13 177.303 0.300 . 1 . . . . 102 LEU C . 11085 1 1187 . 1 1 102 102 LEU CA C 13 55.612 0.300 . 1 . . . . 102 LEU CA . 11085 1 1188 . 1 1 102 102 LEU CB C 13 39.531 0.300 . 1 . . . . 102 LEU CB . 11085 1 1189 . 1 1 102 102 LEU CD1 C 13 22.195 0.300 . 2 . . . . 102 LEU CD1 . 11085 1 1190 . 1 1 102 102 LEU CD2 C 13 18.384 0.300 . 2 . . . . 102 LEU CD2 . 11085 1 1191 . 1 1 102 102 LEU CG C 13 23.952 0.300 . 1 . . . . 102 LEU CG . 11085 1 1192 . 1 1 102 102 LEU N N 15 117.139 0.300 . 1 . . . . 102 LEU N . 11085 1 1193 . 1 1 103 103 SER H H 1 8.555 0.030 . 1 . . . . 103 SER H . 11085 1 1194 . 1 1 103 103 SER HA H 1 4.094 0.030 . 1 . . . . 103 SER HA . 11085 1 1195 . 1 1 103 103 SER HB2 H 1 3.834 0.030 . 2 . . . . 103 SER HB2 . 11085 1 1196 . 1 1 103 103 SER HB3 H 1 4.013 0.030 . 2 . . . . 103 SER HB3 . 11085 1 1197 . 1 1 103 103 SER C C 13 174.142 0.300 . 1 . . . . 103 SER C . 11085 1 1198 . 1 1 103 103 SER CA C 13 59.729 0.300 . 1 . . . . 103 SER CA . 11085 1 1199 . 1 1 103 103 SER CB C 13 60.246 0.300 . 1 . . . . 103 SER CB . 11085 1 1200 . 1 1 103 103 SER N N 15 114.498 0.300 . 1 . . . . 103 SER N . 11085 1 1201 . 1 1 104 104 HIS H H 1 7.918 0.030 . 1 . . . . 104 HIS H . 11085 1 1202 . 1 1 104 104 HIS HA H 1 4.392 0.030 . 1 . . . . 104 HIS HA . 11085 1 1203 . 1 1 104 104 HIS HB2 H 1 3.238 0.030 . 2 . . . . 104 HIS HB2 . 11085 1 1204 . 1 1 104 104 HIS HB3 H 1 2.931 0.030 . 2 . . . . 104 HIS HB3 . 11085 1 1205 . 1 1 104 104 HIS HD2 H 1 6.908 0.030 . 1 . . . . 104 HIS HD2 . 11085 1 1206 . 1 1 104 104 HIS HE1 H 1 7.808 0.030 . 1 . . . . 104 HIS HE1 . 11085 1 1207 . 1 1 104 104 HIS C C 13 176.461 0.300 . 1 . . . . 104 HIS C . 11085 1 1208 . 1 1 104 104 HIS CA C 13 55.984 0.300 . 1 . . . . 104 HIS CA . 11085 1 1209 . 1 1 104 104 HIS CB C 13 27.396 0.300 . 1 . . . . 104 HIS CB . 11085 1 1210 . 1 1 104 104 HIS CD2 C 13 117.755 0.300 . 1 . . . . 104 HIS CD2 . 11085 1 1211 . 1 1 104 104 HIS CE1 C 13 135.500 0.300 . 1 . . . . 104 HIS CE1 . 11085 1 1212 . 1 1 104 104 HIS N N 15 122.682 0.300 . 1 . . . . 104 HIS N . 11085 1 1213 . 1 1 105 105 PHE H H 1 7.582 0.030 . 1 . . . . 105 PHE H . 11085 1 1214 . 1 1 105 105 PHE HA H 1 3.988 0.030 . 1 . . . . 105 PHE HA . 11085 1 1215 . 1 1 105 105 PHE HB2 H 1 3.356 0.030 . 2 . . . . 105 PHE HB2 . 11085 1 1216 . 1 1 105 105 PHE HB3 H 1 3.099 0.030 . 2 . . . . 105 PHE HB3 . 11085 1 1217 . 1 1 105 105 PHE HD1 H 1 7.020 0.030 . 1 . . . . 105 PHE HD1 . 11085 1 1218 . 1 1 105 105 PHE HD2 H 1 7.020 0.030 . 1 . . . . 105 PHE HD2 . 11085 1 1219 . 1 1 105 105 PHE HE1 H 1 6.476 0.030 . 1 . . . . 105 PHE HE1 . 11085 1 1220 . 1 1 105 105 PHE HE2 H 1 6.476 0.030 . 1 . . . . 105 PHE HE2 . 11085 1 1221 . 1 1 105 105 PHE HZ H 1 6.856 0.030 . 1 . . . . 105 PHE HZ . 11085 1 1222 . 1 1 105 105 PHE C C 13 174.564 0.300 . 1 . . . . 105 PHE C . 11085 1 1223 . 1 1 105 105 PHE CA C 13 60.030 0.300 . 1 . . . . 105 PHE CA . 11085 1 1224 . 1 1 105 105 PHE CB C 13 36.948 0.300 . 1 . . . . 105 PHE CB . 11085 1 1225 . 1 1 105 105 PHE CD1 C 13 128.983 0.300 . 1 . . . . 105 PHE CD1 . 11085 1 1226 . 1 1 105 105 PHE CD2 C 13 128.983 0.300 . 1 . . . . 105 PHE CD2 . 11085 1 1227 . 1 1 105 105 PHE CE1 C 13 128.856 0.300 . 1 . . . . 105 PHE CE1 . 11085 1 1228 . 1 1 105 105 PHE CE2 C 13 128.856 0.300 . 1 . . . . 105 PHE CE2 . 11085 1 1229 . 1 1 105 105 PHE CZ C 13 126.948 0.300 . 1 . . . . 105 PHE CZ . 11085 1 1230 . 1 1 105 105 PHE N N 15 119.263 0.300 . 1 . . . . 105 PHE N . 11085 1 1231 . 1 1 106 106 HIS H H 1 7.618 0.030 . 1 . . . . 106 HIS H . 11085 1 1232 . 1 1 106 106 HIS HA H 1 2.312 0.030 . 1 . . . . 106 HIS HA . 11085 1 1233 . 1 1 106 106 HIS HB2 H 1 2.265 0.030 . 2 . . . . 106 HIS HB2 . 11085 1 1234 . 1 1 106 106 HIS HB3 H 1 2.742 0.030 . 2 . . . . 106 HIS HB3 . 11085 1 1235 . 1 1 106 106 HIS HD2 H 1 5.144 0.030 . 1 . . . . 106 HIS HD2 . 11085 1 1236 . 1 1 106 106 HIS HE1 H 1 7.298 0.030 . 1 . . . . 106 HIS HE1 . 11085 1 1237 . 1 1 106 106 HIS C C 13 174.180 0.300 . 1 . . . . 106 HIS C . 11085 1 1238 . 1 1 106 106 HIS CA C 13 55.841 0.300 . 1 . . . . 106 HIS CA . 11085 1 1239 . 1 1 106 106 HIS CB C 13 29.534 0.300 . 1 . . . . 106 HIS CB . 11085 1 1240 . 1 1 106 106 HIS CD2 C 13 116.247 0.300 . 1 . . . . 106 HIS CD2 . 11085 1 1241 . 1 1 106 106 HIS CE1 C 13 134.332 0.300 . 1 . . . . 106 HIS CE1 . 11085 1 1242 . 1 1 106 106 HIS N N 15 118.173 0.300 . 1 . . . . 106 HIS N . 11085 1 1243 . 1 1 107 107 SER H H 1 8.168 0.030 . 1 . . . . 107 SER H . 11085 1 1244 . 1 1 107 107 SER HA H 1 3.606 0.030 . 1 . . . . 107 SER HA . 11085 1 1245 . 1 1 107 107 SER HB2 H 1 3.688 0.030 . 2 . . . . 107 SER HB2 . 11085 1 1246 . 1 1 107 107 SER HB3 H 1 3.749 0.030 . 2 . . . . 107 SER HB3 . 11085 1 1247 . 1 1 107 107 SER C C 13 173.911 0.300 . 1 . . . . 107 SER C . 11085 1 1248 . 1 1 107 107 SER CA C 13 58.946 0.300 . 1 . . . . 107 SER CA . 11085 1 1249 . 1 1 107 107 SER CB C 13 60.673 0.300 . 1 . . . . 107 SER CB . 11085 1 1250 . 1 1 107 107 SER N N 15 110.826 0.300 . 1 . . . . 107 SER N . 11085 1 1251 . 1 1 108 108 ALA H H 1 7.395 0.030 . 1 . . . . 108 ALA H . 11085 1 1252 . 1 1 108 108 ALA HA H 1 3.911 0.030 . 1 . . . . 108 ALA HA . 11085 1 1253 . 1 1 108 108 ALA HB1 H 1 0.939 0.030 . 1 . . . . 108 ALA HB . 11085 1 1254 . 1 1 108 108 ALA HB2 H 1 0.939 0.030 . 1 . . . . 108 ALA HB . 11085 1 1255 . 1 1 108 108 ALA HB3 H 1 0.939 0.030 . 1 . . . . 108 ALA HB . 11085 1 1256 . 1 1 108 108 ALA C C 13 176.792 0.300 . 1 . . . . 108 ALA C . 11085 1 1257 . 1 1 108 108 ALA CA C 13 51.651 0.300 . 1 . . . . 108 ALA CA . 11085 1 1258 . 1 1 108 108 ALA CB C 13 16.779 0.300 . 1 . . . . 108 ALA CB . 11085 1 1259 . 1 1 108 108 ALA N N 15 120.707 0.300 . 1 . . . . 108 ALA N . 11085 1 1260 . 1 1 109 109 PHE H H 1 7.795 0.030 . 1 . . . . 109 PHE H . 11085 1 1261 . 1 1 109 109 PHE HA H 1 4.725 0.030 . 1 . . . . 109 PHE HA . 11085 1 1262 . 1 1 109 109 PHE HB2 H 1 3.594 0.030 . 2 . . . . 109 PHE HB2 . 11085 1 1263 . 1 1 109 109 PHE HB3 H 1 3.045 0.030 . 2 . . . . 109 PHE HB3 . 11085 1 1264 . 1 1 109 109 PHE HD1 H 1 7.549 0.030 . 1 . . . . 109 PHE HD1 . 11085 1 1265 . 1 1 109 109 PHE HD2 H 1 7.549 0.030 . 1 . . . . 109 PHE HD2 . 11085 1 1266 . 1 1 109 109 PHE HE1 H 1 7.261 0.030 . 1 . . . . 109 PHE HE1 . 11085 1 1267 . 1 1 109 109 PHE HE2 H 1 7.261 0.030 . 1 . . . . 109 PHE HE2 . 11085 1 1268 . 1 1 109 109 PHE HZ H 1 7.365 0.030 . 1 . . . . 109 PHE HZ . 11085 1 1269 . 1 1 109 109 PHE C C 13 174.271 0.300 . 1 . . . . 109 PHE C . 11085 1 1270 . 1 1 109 109 PHE CA C 13 56.161 0.300 . 1 . . . . 109 PHE CA . 11085 1 1271 . 1 1 109 109 PHE CB C 13 37.863 0.300 . 1 . . . . 109 PHE CB . 11085 1 1272 . 1 1 109 109 PHE CD1 C 13 130.508 0.300 . 1 . . . . 109 PHE CD1 . 11085 1 1273 . 1 1 109 109 PHE CD2 C 13 130.508 0.300 . 1 . . . . 109 PHE CD2 . 11085 1 1274 . 1 1 109 109 PHE CE1 C 13 128.774 0.300 . 1 . . . . 109 PHE CE1 . 11085 1 1275 . 1 1 109 109 PHE CE2 C 13 128.774 0.300 . 1 . . . . 109 PHE CE2 . 11085 1 1276 . 1 1 109 109 PHE CZ C 13 128.256 0.300 . 1 . . . . 109 PHE CZ . 11085 1 1277 . 1 1 109 109 PHE N N 15 113.942 0.300 . 1 . . . . 109 PHE N . 11085 1 1278 . 1 1 110 110 LYS H H 1 7.651 0.030 . 1 . . . . 110 LYS H . 11085 1 1279 . 1 1 110 110 LYS HA H 1 4.098 0.030 . 1 . . . . 110 LYS HA . 11085 1 1280 . 1 1 110 110 LYS HB2 H 1 1.317 0.030 . 2 . . . . 110 LYS HB2 . 11085 1 1281 . 1 1 110 110 LYS HB3 H 1 1.453 0.030 . 2 . . . . 110 LYS HB3 . 11085 1 1282 . 1 1 110 110 LYS HD2 H 1 0.992 0.030 . 2 . . . . 110 LYS HD2 . 11085 1 1283 . 1 1 110 110 LYS HD3 H 1 1.172 0.030 . 2 . . . . 110 LYS HD3 . 11085 1 1284 . 1 1 110 110 LYS HE2 H 1 2.636 0.030 . 2 . . . . 110 LYS HE2 . 11085 1 1285 . 1 1 110 110 LYS HE3 H 1 2.587 0.030 . 2 . . . . 110 LYS HE3 . 11085 1 1286 . 1 1 110 110 LYS HG2 H 1 0.993 0.030 . 2 . . . . 110 LYS HG2 . 11085 1 1287 . 1 1 110 110 LYS HG3 H 1 1.119 0.030 . 2 . . . . 110 LYS HG3 . 11085 1 1288 . 1 1 110 110 LYS C C 13 174.655 0.300 . 1 . . . . 110 LYS C . 11085 1 1289 . 1 1 110 110 LYS CA C 13 55.968 0.300 . 1 . . . . 110 LYS CA . 11085 1 1290 . 1 1 110 110 LYS CB C 13 29.267 0.300 . 1 . . . . 110 LYS CB . 11085 1 1291 . 1 1 110 110 LYS CD C 13 26.721 0.300 . 1 . . . . 110 LYS CD . 11085 1 1292 . 1 1 110 110 LYS CE C 13 39.545 0.300 . 1 . . . . 110 LYS CE . 11085 1 1293 . 1 1 110 110 LYS CG C 13 21.524 0.300 . 1 . . . . 110 LYS CG . 11085 1 1294 . 1 1 110 110 LYS N N 15 121.764 0.300 . 1 . . . . 110 LYS N . 11085 1 1295 . 1 1 111 111 SER H H 1 8.350 0.030 . 1 . . . . 111 SER H . 11085 1 1296 . 1 1 111 111 SER HA H 1 4.473 0.030 . 1 . . . . 111 SER HA . 11085 1 1297 . 1 1 111 111 SER HB2 H 1 3.846 0.030 . 2 . . . . 111 SER HB2 . 11085 1 1298 . 1 1 111 111 SER C C 13 172.268 0.300 . 1 . . . . 111 SER C . 11085 1 1299 . 1 1 111 111 SER CA C 13 55.984 0.300 . 1 . . . . 111 SER CA . 11085 1 1300 . 1 1 111 111 SER CB C 13 61.498 0.300 . 1 . . . . 111 SER CB . 11085 1 1301 . 1 1 111 111 SER N N 15 115.251 0.300 . 1 . . . . 111 SER N . 11085 1 1302 . 1 1 112 112 GLY H H 1 8.112 0.030 . 1 . . . . 112 GLY H . 11085 1 1303 . 1 1 112 112 GLY HA2 H 1 4.172 0.030 . 2 . . . . 112 GLY HA2 . 11085 1 1304 . 1 1 112 112 GLY HA3 H 1 4.023 0.030 . 2 . . . . 112 GLY HA3 . 11085 1 1305 . 1 1 112 112 GLY C C 13 169.314 0.300 . 1 . . . . 112 GLY C . 11085 1 1306 . 1 1 112 112 GLY CA C 13 42.297 0.300 . 1 . . . . 112 GLY CA . 11085 1 1307 . 1 1 112 112 GLY N N 15 110.117 0.300 . 1 . . . . 112 GLY N . 11085 1 1308 . 1 1 113 113 PRO HA H 1 4.446 0.030 . 1 . . . . 113 PRO HA . 11085 1 1309 . 1 1 113 113 PRO HB2 H 1 2.265 0.030 . 2 . . . . 113 PRO HB2 . 11085 1 1310 . 1 1 113 113 PRO HB3 H 1 1.908 0.030 . 2 . . . . 113 PRO HB3 . 11085 1 1311 . 1 1 113 113 PRO HD2 H 1 3.605 0.030 . 2 . . . . 113 PRO HD2 . 11085 1 1312 . 1 1 113 113 PRO HD3 H 1 3.569 0.030 . 2 . . . . 113 PRO HD3 . 11085 1 1313 . 1 1 113 113 PRO HG2 H 1 1.958 0.030 . 1 . . . . 113 PRO HG2 . 11085 1 1314 . 1 1 113 113 PRO HG3 H 1 1.958 0.030 . 1 . . . . 113 PRO HG3 . 11085 1 1315 . 1 1 113 113 PRO C C 13 175.042 0.300 . 1 . . . . 113 PRO C . 11085 1 1316 . 1 1 113 113 PRO CA C 13 60.894 0.300 . 1 . . . . 113 PRO CA . 11085 1 1317 . 1 1 113 113 PRO CB C 13 29.940 0.300 . 1 . . . . 113 PRO CB . 11085 1 1318 . 1 1 113 113 PRO CD C 13 47.499 0.300 . 1 . . . . 113 PRO CD . 11085 1 1319 . 1 1 113 113 PRO CG C 13 24.883 0.300 . 1 . . . . 113 PRO CG . 11085 1 1320 . 1 1 114 114 SER H H 1 8.514 0.030 . 1 . . . . 114 SER H . 11085 1 1321 . 1 1 114 114 SER C C 13 172.350 0.300 . 1 . . . . 114 SER C . 11085 1 1322 . 1 1 114 114 SER CA C 13 56.055 0.300 . 1 . . . . 114 SER CA . 11085 1 1323 . 1 1 114 114 SER CB C 13 61.622 0.300 . 1 . . . . 114 SER CB . 11085 1 1324 . 1 1 114 114 SER N N 15 116.094 0.300 . 1 . . . . 114 SER N . 11085 1 stop_ save_