data_11296 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11296 _Entry.Title ; Solution structure of the RWD domain of human ring finger protein 25 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-09 _Entry.Accession_date 2010-08-09 _Entry.Last_release_date 2011-08-19 _Entry.Original_release_date 2011-08-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 M. Yoneyama . . . 11296 2 T. Kigawa . . . 11296 3 M. Sato . . . 11296 4 N. Tochio . . . 11296 5 S. Koshiba . . . 11296 6 M. Inoue . . . 11296 7 S. Yokoyama . . . 11296 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)' . 11296 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11296 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 537 11296 '15N chemical shifts' 122 11296 '1H chemical shifts' 868 11296 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-08-19 2010-08-09 original author . 11296 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DAY 'BMRB Entry Tracking System' 11296 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11296 _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 RWD domain of human ring finger protein 25' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. Yoneyama . . . 11296 1 2 T. Kigawa . . . 11296 1 3 M. Sato . . . 11296 1 4 N. Tochio . . . 11296 1 5 S. Koshiba . . . 11296 1 6 M. Inoue . . . 11296 1 7 S. Yokoyama . . . 11296 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11296 _Assembly.ID 1 _Assembly.Name 'RING finger protein 25' _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 E.C.6.3.2.- _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 'RWD domain' 1 $entity_1 A . yes native no no . . . 11296 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 2day . . . . . . 11296 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11296 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'RWD 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 ; GSSGSSGEEDWVLPSEVEVL ESIYLDELQVIKGNGRTSPW EIYITLHPATAEDQDSQYVC FTLVLQVPAEYPHEVPQISI RNPRGLSDEQIHTILQVLGH VAKAGLGTAMLYELIEKGKE ILSGPSSG ; _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 128 _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 2DAY . "Solution Structure Of The Rwd Domain Of Human Ring Finger Protein 25" . . . . . 100.00 128 100.00 100.00 2.34e-85 . . . . 11296 1 2 no DBJ BAB14743 . "unnamed protein product [Homo sapiens]" . . . . . 91.41 439 99.15 100.00 5.99e-74 . . . . 11296 1 3 no DBJ BAD96245 . "ring finger protein 25 variant [Homo sapiens]" . . . . . 91.41 459 99.15 100.00 7.97e-74 . . . . 11296 1 4 no DBJ BAF82190 . "unnamed protein product [Homo sapiens]" . . . . . 91.41 459 99.15 100.00 9.06e-74 . . . . 11296 1 5 no DBJ BAI45678 . "ring finger protein 25 [synthetic construct]" . . . . . 91.41 459 99.15 100.00 9.06e-74 . . . . 11296 1 6 no GB AAH15612 . "Ring finger protein 25 [Homo sapiens]" . . . . . 91.41 459 99.15 100.00 9.06e-74 . . . . 11296 1 7 no GB ADZ15417 . "ring finger protein 25 [synthetic construct]" . . . . . 91.41 459 99.15 100.00 9.06e-74 . . . . 11296 1 8 no GB AIC52126 . "RNF25, partial [synthetic construct]" . . . . . 91.41 459 99.15 100.00 9.06e-74 . . . . 11296 1 9 no GB EAW70644 . "ring finger protein 25, isoform CRA_d, partial [Homo sapiens]" . . . . . 91.41 209 99.15 100.00 2.00e-76 . . . . 11296 1 10 no GB EAW70645 . "ring finger protein 25, isoform CRA_e [Homo sapiens]" . . . . . 91.41 459 99.15 100.00 9.06e-74 . . . . 11296 1 11 no REF NP_071898 . "E3 ubiquitin-protein ligase RNF25 [Homo sapiens]" . . . . . 91.41 459 99.15 100.00 9.06e-74 . . . . 11296 1 12 no REF XP_002749840 . "PREDICTED: E3 ubiquitin-protein ligase RNF25 [Callithrix jacchus]" . . . . . 91.41 457 98.29 99.15 3.59e-73 . . . . 11296 1 13 no REF XP_002812907 . "PREDICTED: E3 ubiquitin-protein ligase RNF25 isoform X1 [Pongo abelii]" . . . . . 91.41 459 99.15 100.00 9.36e-74 . . . . 11296 1 14 no REF XP_003272415 . "PREDICTED: E3 ubiquitin-protein ligase RNF25 [Nomascus leucogenys]" . . . . . 91.41 459 99.15 100.00 1.55e-73 . . . . 11296 1 15 no REF XP_003818674 . "PREDICTED: E3 ubiquitin-protein ligase RNF25 isoform X1 [Pan paniscus]" . . . . . 91.41 459 99.15 100.00 8.41e-74 . . . . 11296 1 16 no SP Q96BH1 . "RecName: Full=E3 ubiquitin-protein ligase RNF25; AltName: Full=RING finger protein 25" . . . . . 91.41 459 99.15 100.00 9.06e-74 . . . . 11296 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RWD domain' . 11296 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 . 11296 1 2 . SER . 11296 1 3 . SER . 11296 1 4 . GLY . 11296 1 5 . SER . 11296 1 6 . SER . 11296 1 7 . GLY . 11296 1 8 . GLU . 11296 1 9 . GLU . 11296 1 10 . ASP . 11296 1 11 . TRP . 11296 1 12 . VAL . 11296 1 13 . LEU . 11296 1 14 . PRO . 11296 1 15 . SER . 11296 1 16 . GLU . 11296 1 17 . VAL . 11296 1 18 . GLU . 11296 1 19 . VAL . 11296 1 20 . LEU . 11296 1 21 . GLU . 11296 1 22 . SER . 11296 1 23 . ILE . 11296 1 24 . TYR . 11296 1 25 . LEU . 11296 1 26 . ASP . 11296 1 27 . GLU . 11296 1 28 . LEU . 11296 1 29 . GLN . 11296 1 30 . VAL . 11296 1 31 . ILE . 11296 1 32 . LYS . 11296 1 33 . GLY . 11296 1 34 . ASN . 11296 1 35 . GLY . 11296 1 36 . ARG . 11296 1 37 . THR . 11296 1 38 . SER . 11296 1 39 . PRO . 11296 1 40 . TRP . 11296 1 41 . GLU . 11296 1 42 . ILE . 11296 1 43 . TYR . 11296 1 44 . ILE . 11296 1 45 . THR . 11296 1 46 . LEU . 11296 1 47 . HIS . 11296 1 48 . PRO . 11296 1 49 . ALA . 11296 1 50 . THR . 11296 1 51 . ALA . 11296 1 52 . GLU . 11296 1 53 . ASP . 11296 1 54 . GLN . 11296 1 55 . ASP . 11296 1 56 . SER . 11296 1 57 . GLN . 11296 1 58 . TYR . 11296 1 59 . VAL . 11296 1 60 . CYS . 11296 1 61 . PHE . 11296 1 62 . THR . 11296 1 63 . LEU . 11296 1 64 . VAL . 11296 1 65 . LEU . 11296 1 66 . GLN . 11296 1 67 . VAL . 11296 1 68 . PRO . 11296 1 69 . ALA . 11296 1 70 . GLU . 11296 1 71 . TYR . 11296 1 72 . PRO . 11296 1 73 . HIS . 11296 1 74 . GLU . 11296 1 75 . VAL . 11296 1 76 . PRO . 11296 1 77 . GLN . 11296 1 78 . ILE . 11296 1 79 . SER . 11296 1 80 . ILE . 11296 1 81 . ARG . 11296 1 82 . ASN . 11296 1 83 . PRO . 11296 1 84 . ARG . 11296 1 85 . GLY . 11296 1 86 . LEU . 11296 1 87 . SER . 11296 1 88 . ASP . 11296 1 89 . GLU . 11296 1 90 . GLN . 11296 1 91 . ILE . 11296 1 92 . HIS . 11296 1 93 . THR . 11296 1 94 . ILE . 11296 1 95 . LEU . 11296 1 96 . GLN . 11296 1 97 . VAL . 11296 1 98 . LEU . 11296 1 99 . GLY . 11296 1 100 . HIS . 11296 1 101 . VAL . 11296 1 102 . ALA . 11296 1 103 . LYS . 11296 1 104 . ALA . 11296 1 105 . GLY . 11296 1 106 . LEU . 11296 1 107 . GLY . 11296 1 108 . THR . 11296 1 109 . ALA . 11296 1 110 . MET . 11296 1 111 . LEU . 11296 1 112 . TYR . 11296 1 113 . GLU . 11296 1 114 . LEU . 11296 1 115 . ILE . 11296 1 116 . GLU . 11296 1 117 . LYS . 11296 1 118 . GLY . 11296 1 119 . LYS . 11296 1 120 . GLU . 11296 1 121 . ILE . 11296 1 122 . LEU . 11296 1 123 . SER . 11296 1 124 . GLY . 11296 1 125 . PRO . 11296 1 126 . SER . 11296 1 127 . SER . 11296 1 128 . GLY . 11296 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 11296 1 . SER 2 2 11296 1 . SER 3 3 11296 1 . GLY 4 4 11296 1 . SER 5 5 11296 1 . SER 6 6 11296 1 . GLY 7 7 11296 1 . GLU 8 8 11296 1 . GLU 9 9 11296 1 . ASP 10 10 11296 1 . TRP 11 11 11296 1 . VAL 12 12 11296 1 . LEU 13 13 11296 1 . PRO 14 14 11296 1 . SER 15 15 11296 1 . GLU 16 16 11296 1 . VAL 17 17 11296 1 . GLU 18 18 11296 1 . VAL 19 19 11296 1 . LEU 20 20 11296 1 . GLU 21 21 11296 1 . SER 22 22 11296 1 . ILE 23 23 11296 1 . TYR 24 24 11296 1 . LEU 25 25 11296 1 . ASP 26 26 11296 1 . GLU 27 27 11296 1 . LEU 28 28 11296 1 . GLN 29 29 11296 1 . VAL 30 30 11296 1 . ILE 31 31 11296 1 . LYS 32 32 11296 1 . GLY 33 33 11296 1 . ASN 34 34 11296 1 . GLY 35 35 11296 1 . ARG 36 36 11296 1 . THR 37 37 11296 1 . SER 38 38 11296 1 . PRO 39 39 11296 1 . TRP 40 40 11296 1 . GLU 41 41 11296 1 . ILE 42 42 11296 1 . TYR 43 43 11296 1 . ILE 44 44 11296 1 . THR 45 45 11296 1 . LEU 46 46 11296 1 . HIS 47 47 11296 1 . PRO 48 48 11296 1 . ALA 49 49 11296 1 . THR 50 50 11296 1 . ALA 51 51 11296 1 . GLU 52 52 11296 1 . ASP 53 53 11296 1 . GLN 54 54 11296 1 . ASP 55 55 11296 1 . SER 56 56 11296 1 . GLN 57 57 11296 1 . TYR 58 58 11296 1 . VAL 59 59 11296 1 . CYS 60 60 11296 1 . PHE 61 61 11296 1 . THR 62 62 11296 1 . LEU 63 63 11296 1 . VAL 64 64 11296 1 . LEU 65 65 11296 1 . GLN 66 66 11296 1 . VAL 67 67 11296 1 . PRO 68 68 11296 1 . ALA 69 69 11296 1 . GLU 70 70 11296 1 . TYR 71 71 11296 1 . PRO 72 72 11296 1 . HIS 73 73 11296 1 . GLU 74 74 11296 1 . VAL 75 75 11296 1 . PRO 76 76 11296 1 . GLN 77 77 11296 1 . ILE 78 78 11296 1 . SER 79 79 11296 1 . ILE 80 80 11296 1 . ARG 81 81 11296 1 . ASN 82 82 11296 1 . PRO 83 83 11296 1 . ARG 84 84 11296 1 . GLY 85 85 11296 1 . LEU 86 86 11296 1 . SER 87 87 11296 1 . ASP 88 88 11296 1 . GLU 89 89 11296 1 . GLN 90 90 11296 1 . ILE 91 91 11296 1 . HIS 92 92 11296 1 . THR 93 93 11296 1 . ILE 94 94 11296 1 . LEU 95 95 11296 1 . GLN 96 96 11296 1 . VAL 97 97 11296 1 . LEU 98 98 11296 1 . GLY 99 99 11296 1 . HIS 100 100 11296 1 . VAL 101 101 11296 1 . ALA 102 102 11296 1 . LYS 103 103 11296 1 . ALA 104 104 11296 1 . GLY 105 105 11296 1 . LEU 106 106 11296 1 . GLY 107 107 11296 1 . THR 108 108 11296 1 . ALA 109 109 11296 1 . MET 110 110 11296 1 . LEU 111 111 11296 1 . TYR 112 112 11296 1 . GLU 113 113 11296 1 . LEU 114 114 11296 1 . ILE 115 115 11296 1 . GLU 116 116 11296 1 . LYS 117 117 11296 1 . GLY 118 118 11296 1 . LYS 119 119 11296 1 . GLU 120 120 11296 1 . ILE 121 121 11296 1 . LEU 122 122 11296 1 . SER 123 123 11296 1 . GLY 124 124 11296 1 . PRO 125 125 11296 1 . SER 126 126 11296 1 . SER 127 127 11296 1 . GLY 128 128 11296 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 11296 _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 . . . . . . . . . . . . . . . . . . . . . 11296 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 11296 _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 . . . . . . . . . . . . . plasmid . . P050509-01 . . . . . . 11296 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11296 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.72mM RWD domain {U-15N,13C;} 20mM d-Tris-HCl(pH {7.0);} 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 'RWD domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.72 . . mM . . . . 11296 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11296 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11296 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11296 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11296 1 6 H2O . . . . . . solvent 90 . . % . . . . 11296 1 7 D2O . . . . . . solvent 10 . . % . . . . 11296 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 11296 _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 11296 1 pH 7.0 0.05 pH 11296 1 pressure 1 0.001 atm 11296 1 temperature 296 0.1 K 11296 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11296 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11296 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11296 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11296 _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.' . . 11296 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11296 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11296 _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.' . . 11296 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11296 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11296 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9318 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11296 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11296 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11296 _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.' . . 11296 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11296 5 'structure solution' 11296 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 11296 _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 11296 _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 . . . 11296 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 11296 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11296 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11296 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 11296 _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 . . . . . . . . . 11296 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11296 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11296 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 11296 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11296 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11296 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 . . 11296 1 2 $NMRPipe . . 11296 1 3 $NMRview . . 11296 1 4 $Kujira . . 11296 1 5 $CYANA . . 11296 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 3 3 SER C C 13 175.094 0.300 . 1 . . . . 3 SER C . 11296 1 2 . 1 1 3 3 SER CA C 13 58.708 0.300 . 1 . . . . 3 SER CA . 11296 1 3 . 1 1 3 3 SER CB C 13 63.725 0.300 . 1 . . . . 3 SER CB . 11296 1 4 . 1 1 4 4 GLY H H 1 8.490 0.030 . 1 . . . . 4 GLY H . 11296 1 5 . 1 1 4 4 GLY C C 13 174.341 0.300 . 1 . . . . 4 GLY C . 11296 1 6 . 1 1 4 4 GLY CA C 13 45.443 0.300 . 1 . . . . 4 GLY CA . 11296 1 7 . 1 1 4 4 GLY N N 15 111.021 0.300 . 1 . . . . 4 GLY N . 11296 1 8 . 1 1 5 5 SER H H 1 8.287 0.030 . 1 . . . . 5 SER H . 11296 1 9 . 1 1 5 5 SER C C 13 174.814 0.300 . 1 . . . . 5 SER C . 11296 1 10 . 1 1 5 5 SER CA C 13 58.353 0.300 . 1 . . . . 5 SER CA . 11296 1 11 . 1 1 5 5 SER CB C 13 63.848 0.300 . 1 . . . . 5 SER CB . 11296 1 12 . 1 1 5 5 SER N N 15 115.904 0.300 . 1 . . . . 5 SER N . 11296 1 13 . 1 1 6 6 SER H H 1 8.477 0.030 . 1 . . . . 6 SER H . 11296 1 14 . 1 1 6 6 SER CA C 13 56.712 0.300 . 1 . . . . 6 SER CA . 11296 1 15 . 1 1 6 6 SER N N 15 122.700 0.300 . 1 . . . . 6 SER N . 11296 1 16 . 1 1 7 7 GLY HA2 H 1 4.023 0.030 . 1 . . . . 7 GLY HA2 . 11296 1 17 . 1 1 7 7 GLY HA3 H 1 4.023 0.030 . 1 . . . . 7 GLY HA3 . 11296 1 18 . 1 1 7 7 GLY CA C 13 45.444 0.300 . 1 . . . . 7 GLY CA . 11296 1 19 . 1 1 8 8 GLU H H 1 8.357 0.030 . 1 . . . . 8 GLU H . 11296 1 20 . 1 1 8 8 GLU HA H 1 4.317 0.030 . 1 . . . . 8 GLU HA . 11296 1 21 . 1 1 8 8 GLU HB2 H 1 1.980 0.030 . 1 . . . . 8 GLU HB2 . 11296 1 22 . 1 1 8 8 GLU HB3 H 1 1.980 0.030 . 1 . . . . 8 GLU HB3 . 11296 1 23 . 1 1 8 8 GLU CA C 13 56.555 0.300 . 1 . . . . 8 GLU CA . 11296 1 24 . 1 1 8 8 GLU CB C 13 30.429 0.300 . 1 . . . . 8 GLU CB . 11296 1 25 . 1 1 8 8 GLU CG C 13 36.445 0.300 . 1 . . . . 8 GLU CG . 11296 1 26 . 1 1 8 8 GLU N N 15 120.524 0.300 . 1 . . . . 8 GLU N . 11296 1 27 . 1 1 9 9 GLU H H 1 8.632 0.030 . 1 . . . . 9 GLU H . 11296 1 28 . 1 1 9 9 GLU HA H 1 4.328 0.030 . 1 . . . . 9 GLU HA . 11296 1 29 . 1 1 9 9 GLU HB2 H 1 2.125 0.030 . 2 . . . . 9 GLU HB2 . 11296 1 30 . 1 1 9 9 GLU HB3 H 1 2.007 0.030 . 2 . . . . 9 GLU HB3 . 11296 1 31 . 1 1 9 9 GLU HG2 H 1 2.335 0.030 . 1 . . . . 9 GLU HG2 . 11296 1 32 . 1 1 9 9 GLU HG3 H 1 2.335 0.030 . 1 . . . . 9 GLU HG3 . 11296 1 33 . 1 1 9 9 GLU CA C 13 56.763 0.300 . 1 . . . . 9 GLU CA . 11296 1 34 . 1 1 9 9 GLU CB C 13 30.257 0.300 . 1 . . . . 9 GLU CB . 11296 1 35 . 1 1 9 9 GLU CG C 13 36.311 0.300 . 1 . . . . 9 GLU CG . 11296 1 36 . 1 1 9 9 GLU N N 15 121.433 0.300 . 1 . . . . 9 GLU N . 11296 1 37 . 1 1 10 10 ASP H H 1 8.434 0.030 . 1 . . . . 10 ASP H . 11296 1 38 . 1 1 10 10 ASP HA H 1 4.673 0.030 . 1 . . . . 10 ASP HA . 11296 1 39 . 1 1 10 10 ASP HB2 H 1 2.746 0.030 . 2 . . . . 10 ASP HB2 . 11296 1 40 . 1 1 10 10 ASP HB3 H 1 2.689 0.030 . 2 . . . . 10 ASP HB3 . 11296 1 41 . 1 1 10 10 ASP CA C 13 54.349 0.300 . 1 . . . . 10 ASP CA . 11296 1 42 . 1 1 10 10 ASP CB C 13 41.112 0.300 . 1 . . . . 10 ASP CB . 11296 1 43 . 1 1 10 10 ASP N N 15 121.649 0.300 . 1 . . . . 10 ASP N . 11296 1 44 . 1 1 11 11 TRP H H 1 8.428 0.030 . 1 . . . . 11 TRP H . 11296 1 45 . 1 1 11 11 TRP HA H 1 5.148 0.030 . 1 . . . . 11 TRP HA . 11296 1 46 . 1 1 11 11 TRP HB2 H 1 3.379 0.030 . 2 . . . . 11 TRP HB2 . 11296 1 47 . 1 1 11 11 TRP HB3 H 1 3.123 0.030 . 2 . . . . 11 TRP HB3 . 11296 1 48 . 1 1 11 11 TRP HD1 H 1 7.726 0.030 . 1 . . . . 11 TRP HD1 . 11296 1 49 . 1 1 11 11 TRP HE1 H 1 10.492 0.030 . 1 . . . . 11 TRP HE1 . 11296 1 50 . 1 1 11 11 TRP HE3 H 1 7.518 0.030 . 1 . . . . 11 TRP HE3 . 11296 1 51 . 1 1 11 11 TRP HH2 H 1 6.932 0.030 . 1 . . . . 11 TRP HH2 . 11296 1 52 . 1 1 11 11 TRP HZ2 H 1 7.407 0.030 . 1 . . . . 11 TRP HZ2 . 11296 1 53 . 1 1 11 11 TRP HZ3 H 1 7.079 0.030 . 1 . . . . 11 TRP HZ3 . 11296 1 54 . 1 1 11 11 TRP CA C 13 54.753 0.300 . 1 . . . . 11 TRP CA . 11296 1 55 . 1 1 11 11 TRP CB C 13 30.583 0.300 . 1 . . . . 11 TRP CB . 11296 1 56 . 1 1 11 11 TRP CD1 C 13 125.076 0.300 . 1 . . . . 11 TRP CD1 . 11296 1 57 . 1 1 11 11 TRP CE3 C 13 120.442 0.300 . 1 . . . . 11 TRP CE3 . 11296 1 58 . 1 1 11 11 TRP CH2 C 13 125.729 0.300 . 1 . . . . 11 TRP CH2 . 11296 1 59 . 1 1 11 11 TRP CZ2 C 13 115.786 0.300 . 1 . . . . 11 TRP CZ2 . 11296 1 60 . 1 1 11 11 TRP CZ3 C 13 122.456 0.300 . 1 . . . . 11 TRP CZ3 . 11296 1 61 . 1 1 11 11 TRP N N 15 123.718 0.300 . 1 . . . . 11 TRP N . 11296 1 62 . 1 1 11 11 TRP NE1 N 15 130.050 0.300 . 1 . . . . 11 TRP NE1 . 11296 1 63 . 1 1 12 12 VAL H H 1 8.681 0.030 . 1 . . . . 12 VAL H . 11296 1 64 . 1 1 12 12 VAL HA H 1 4.042 0.030 . 1 . . . . 12 VAL HA . 11296 1 65 . 1 1 12 12 VAL HB H 1 2.223 0.030 . 1 . . . . 12 VAL HB . 11296 1 66 . 1 1 12 12 VAL HG11 H 1 0.973 0.030 . 1 . . . . 12 VAL HG1 . 11296 1 67 . 1 1 12 12 VAL HG12 H 1 0.973 0.030 . 1 . . . . 12 VAL HG1 . 11296 1 68 . 1 1 12 12 VAL HG13 H 1 0.973 0.030 . 1 . . . . 12 VAL HG1 . 11296 1 69 . 1 1 12 12 VAL HG21 H 1 0.973 0.030 . 1 . . . . 12 VAL HG2 . 11296 1 70 . 1 1 12 12 VAL HG22 H 1 0.973 0.030 . 1 . . . . 12 VAL HG2 . 11296 1 71 . 1 1 12 12 VAL HG23 H 1 0.973 0.030 . 1 . . . . 12 VAL HG2 . 11296 1 72 . 1 1 12 12 VAL CA C 13 63.791 0.300 . 1 . . . . 12 VAL CA . 11296 1 73 . 1 1 12 12 VAL CB C 13 32.805 0.300 . 1 . . . . 12 VAL CB . 11296 1 74 . 1 1 12 12 VAL CG1 C 13 20.629 0.300 . 1 . . . . 12 VAL CG1 . 11296 1 75 . 1 1 12 12 VAL CG2 C 13 20.629 0.300 . 1 . . . . 12 VAL CG2 . 11296 1 76 . 1 1 12 12 VAL N N 15 124.653 0.300 . 1 . . . . 12 VAL N . 11296 1 77 . 1 1 13 13 LEU H H 1 5.467 0.030 . 1 . . . . 13 LEU H . 11296 1 78 . 1 1 13 13 LEU HA H 1 4.016 0.030 . 1 . . . . 13 LEU HA . 11296 1 79 . 1 1 13 13 LEU HB2 H 1 0.117 0.030 . 2 . . . . 13 LEU HB2 . 11296 1 80 . 1 1 13 13 LEU HB3 H 1 -0.562 0.030 . 2 . . . . 13 LEU HB3 . 11296 1 81 . 1 1 13 13 LEU HD11 H 1 0.168 0.030 . 1 . . . . 13 LEU HD1 . 11296 1 82 . 1 1 13 13 LEU HD12 H 1 0.168 0.030 . 1 . . . . 13 LEU HD1 . 11296 1 83 . 1 1 13 13 LEU HD13 H 1 0.168 0.030 . 1 . . . . 13 LEU HD1 . 11296 1 84 . 1 1 13 13 LEU HD21 H 1 -0.518 0.030 . 1 . . . . 13 LEU HD2 . 11296 1 85 . 1 1 13 13 LEU HD22 H 1 -0.518 0.030 . 1 . . . . 13 LEU HD2 . 11296 1 86 . 1 1 13 13 LEU HD23 H 1 -0.518 0.030 . 1 . . . . 13 LEU HD2 . 11296 1 87 . 1 1 13 13 LEU HG H 1 0.150 0.030 . 1 . . . . 13 LEU HG . 11296 1 88 . 1 1 13 13 LEU CA C 13 58.253 0.300 . 1 . . . . 13 LEU CA . 11296 1 89 . 1 1 13 13 LEU CB C 13 37.632 0.300 . 1 . . . . 13 LEU CB . 11296 1 90 . 1 1 13 13 LEU CD1 C 13 24.288 0.300 . 2 . . . . 13 LEU CD1 . 11296 1 91 . 1 1 13 13 LEU CD2 C 13 26.155 0.300 . 2 . . . . 13 LEU CD2 . 11296 1 92 . 1 1 13 13 LEU CG C 13 26.293 0.300 . 1 . . . . 13 LEU CG . 11296 1 93 . 1 1 13 13 LEU N N 15 118.718 0.300 . 1 . . . . 13 LEU N . 11296 1 94 . 1 1 14 14 PRO HA H 1 3.954 0.030 . 1 . . . . 14 PRO HA . 11296 1 95 . 1 1 14 14 PRO HB2 H 1 2.470 0.030 . 2 . . . . 14 PRO HB2 . 11296 1 96 . 1 1 14 14 PRO HB3 H 1 1.929 0.030 . 2 . . . . 14 PRO HB3 . 11296 1 97 . 1 1 14 14 PRO HD2 H 1 3.203 0.030 . 2 . . . . 14 PRO HD2 . 11296 1 98 . 1 1 14 14 PRO HD3 H 1 2.259 0.030 . 2 . . . . 14 PRO HD3 . 11296 1 99 . 1 1 14 14 PRO HG2 H 1 2.182 0.030 . 2 . . . . 14 PRO HG2 . 11296 1 100 . 1 1 14 14 PRO HG3 H 1 1.668 0.030 . 2 . . . . 14 PRO HG3 . 11296 1 101 . 1 1 14 14 PRO C C 13 179.732 0.300 . 1 . . . . 14 PRO C . 11296 1 102 . 1 1 14 14 PRO CA C 13 66.813 0.300 . 1 . . . . 14 PRO CA . 11296 1 103 . 1 1 14 14 PRO CB C 13 30.653 0.300 . 1 . . . . 14 PRO CB . 11296 1 104 . 1 1 14 14 PRO CD C 13 48.448 0.300 . 1 . . . . 14 PRO CD . 11296 1 105 . 1 1 14 14 PRO CG C 13 28.574 0.300 . 1 . . . . 14 PRO CG . 11296 1 106 . 1 1 15 15 SER H H 1 7.755 0.030 . 1 . . . . 15 SER H . 11296 1 107 . 1 1 15 15 SER HA H 1 4.285 0.030 . 1 . . . . 15 SER HA . 11296 1 108 . 1 1 15 15 SER HB2 H 1 3.948 0.030 . 1 . . . . 15 SER HB2 . 11296 1 109 . 1 1 15 15 SER HB3 H 1 3.948 0.030 . 1 . . . . 15 SER HB3 . 11296 1 110 . 1 1 15 15 SER C C 13 176.399 0.300 . 1 . . . . 15 SER C . 11296 1 111 . 1 1 15 15 SER CA C 13 61.284 0.300 . 1 . . . . 15 SER CA . 11296 1 112 . 1 1 15 15 SER CB C 13 62.553 0.300 . 1 . . . . 15 SER CB . 11296 1 113 . 1 1 15 15 SER N N 15 112.313 0.300 . 1 . . . . 15 SER N . 11296 1 114 . 1 1 16 16 GLU H H 1 8.073 0.030 . 1 . . . . 16 GLU H . 11296 1 115 . 1 1 16 16 GLU HA H 1 4.005 0.030 . 1 . . . . 16 GLU HA . 11296 1 116 . 1 1 16 16 GLU HB2 H 1 2.229 0.030 . 2 . . . . 16 GLU HB2 . 11296 1 117 . 1 1 16 16 GLU HB3 H 1 2.025 0.030 . 2 . . . . 16 GLU HB3 . 11296 1 118 . 1 1 16 16 GLU HG2 H 1 2.335 0.030 . 2 . . . . 16 GLU HG2 . 11296 1 119 . 1 1 16 16 GLU HG3 H 1 2.011 0.030 . 2 . . . . 16 GLU HG3 . 11296 1 120 . 1 1 16 16 GLU C C 13 179.562 0.300 . 1 . . . . 16 GLU C . 11296 1 121 . 1 1 16 16 GLU CA C 13 59.866 0.300 . 1 . . . . 16 GLU CA . 11296 1 122 . 1 1 16 16 GLU CB C 13 30.053 0.300 . 1 . . . . 16 GLU CB . 11296 1 123 . 1 1 16 16 GLU CG C 13 36.476 0.300 . 1 . . . . 16 GLU CG . 11296 1 124 . 1 1 16 16 GLU N N 15 125.688 0.300 . 1 . . . . 16 GLU N . 11296 1 125 . 1 1 17 17 VAL H H 1 8.616 0.030 . 1 . . . . 17 VAL H . 11296 1 126 . 1 1 17 17 VAL HA H 1 3.461 0.030 . 1 . . . . 17 VAL HA . 11296 1 127 . 1 1 17 17 VAL HB H 1 2.244 0.030 . 1 . . . . 17 VAL HB . 11296 1 128 . 1 1 17 17 VAL HG11 H 1 1.085 0.030 . 1 . . . . 17 VAL HG1 . 11296 1 129 . 1 1 17 17 VAL HG12 H 1 1.085 0.030 . 1 . . . . 17 VAL HG1 . 11296 1 130 . 1 1 17 17 VAL HG13 H 1 1.085 0.030 . 1 . . . . 17 VAL HG1 . 11296 1 131 . 1 1 17 17 VAL HG21 H 1 0.925 0.030 . 1 . . . . 17 VAL HG2 . 11296 1 132 . 1 1 17 17 VAL HG22 H 1 0.925 0.030 . 1 . . . . 17 VAL HG2 . 11296 1 133 . 1 1 17 17 VAL HG23 H 1 0.925 0.030 . 1 . . . . 17 VAL HG2 . 11296 1 134 . 1 1 17 17 VAL C C 13 176.879 0.300 . 1 . . . . 17 VAL C . 11296 1 135 . 1 1 17 17 VAL CA C 13 67.104 0.300 . 1 . . . . 17 VAL CA . 11296 1 136 . 1 1 17 17 VAL CB C 13 31.256 0.300 . 1 . . . . 17 VAL CB . 11296 1 137 . 1 1 17 17 VAL CG1 C 13 23.036 0.300 . 2 . . . . 17 VAL CG1 . 11296 1 138 . 1 1 17 17 VAL CG2 C 13 24.743 0.300 . 2 . . . . 17 VAL CG2 . 11296 1 139 . 1 1 17 17 VAL N N 15 118.769 0.300 . 1 . . . . 17 VAL N . 11296 1 140 . 1 1 18 18 GLU H H 1 7.748 0.030 . 1 . . . . 18 GLU H . 11296 1 141 . 1 1 18 18 GLU HA H 1 4.249 0.030 . 1 . . . . 18 GLU HA . 11296 1 142 . 1 1 18 18 GLU HB2 H 1 2.245 0.030 . 2 . . . . 18 GLU HB2 . 11296 1 143 . 1 1 18 18 GLU HB3 H 1 2.146 0.030 . 2 . . . . 18 GLU HB3 . 11296 1 144 . 1 1 18 18 GLU HG2 H 1 2.523 0.030 . 2 . . . . 18 GLU HG2 . 11296 1 145 . 1 1 18 18 GLU HG3 H 1 2.279 0.030 . 2 . . . . 18 GLU HG3 . 11296 1 146 . 1 1 18 18 GLU C C 13 180.254 0.300 . 1 . . . . 18 GLU C . 11296 1 147 . 1 1 18 18 GLU CA C 13 59.985 0.300 . 1 . . . . 18 GLU CA . 11296 1 148 . 1 1 18 18 GLU CB C 13 29.564 0.300 . 1 . . . . 18 GLU CB . 11296 1 149 . 1 1 18 18 GLU CG C 13 36.835 0.300 . 1 . . . . 18 GLU CG . 11296 1 150 . 1 1 18 18 GLU N N 15 119.897 0.300 . 1 . . . . 18 GLU N . 11296 1 151 . 1 1 19 19 VAL H H 1 7.585 0.030 . 1 . . . . 19 VAL H . 11296 1 152 . 1 1 19 19 VAL HA H 1 3.710 0.030 . 1 . . . . 19 VAL HA . 11296 1 153 . 1 1 19 19 VAL HB H 1 2.309 0.030 . 1 . . . . 19 VAL HB . 11296 1 154 . 1 1 19 19 VAL HG11 H 1 1.078 0.030 . 1 . . . . 19 VAL HG1 . 11296 1 155 . 1 1 19 19 VAL HG12 H 1 1.078 0.030 . 1 . . . . 19 VAL HG1 . 11296 1 156 . 1 1 19 19 VAL HG13 H 1 1.078 0.030 . 1 . . . . 19 VAL HG1 . 11296 1 157 . 1 1 19 19 VAL HG21 H 1 0.847 0.030 . 1 . . . . 19 VAL HG2 . 11296 1 158 . 1 1 19 19 VAL HG22 H 1 0.847 0.030 . 1 . . . . 19 VAL HG2 . 11296 1 159 . 1 1 19 19 VAL HG23 H 1 0.847 0.030 . 1 . . . . 19 VAL HG2 . 11296 1 160 . 1 1 19 19 VAL C C 13 179.975 0.300 . 1 . . . . 19 VAL C . 11296 1 161 . 1 1 19 19 VAL CA C 13 66.601 0.300 . 1 . . . . 19 VAL CA . 11296 1 162 . 1 1 19 19 VAL CB C 13 31.338 0.300 . 1 . . . . 19 VAL CB . 11296 1 163 . 1 1 19 19 VAL CG1 C 13 22.656 0.300 . 2 . . . . 19 VAL CG1 . 11296 1 164 . 1 1 19 19 VAL CG2 C 13 21.248 0.300 . 2 . . . . 19 VAL CG2 . 11296 1 165 . 1 1 19 19 VAL N N 15 120.207 0.300 . 1 . . . . 19 VAL N . 11296 1 166 . 1 1 20 20 LEU H H 1 8.357 0.030 . 1 . . . . 20 LEU H . 11296 1 167 . 1 1 20 20 LEU HA H 1 4.073 0.030 . 1 . . . . 20 LEU HA . 11296 1 168 . 1 1 20 20 LEU HB2 H 1 2.208 0.030 . 2 . . . . 20 LEU HB2 . 11296 1 169 . 1 1 20 20 LEU HB3 H 1 1.576 0.030 . 2 . . . . 20 LEU HB3 . 11296 1 170 . 1 1 20 20 LEU HD11 H 1 0.898 0.030 . 1 . . . . 20 LEU HD1 . 11296 1 171 . 1 1 20 20 LEU HD12 H 1 0.898 0.030 . 1 . . . . 20 LEU HD1 . 11296 1 172 . 1 1 20 20 LEU HD13 H 1 0.898 0.030 . 1 . . . . 20 LEU HD1 . 11296 1 173 . 1 1 20 20 LEU HD21 H 1 1.069 0.030 . 1 . . . . 20 LEU HD2 . 11296 1 174 . 1 1 20 20 LEU HD22 H 1 1.069 0.030 . 1 . . . . 20 LEU HD2 . 11296 1 175 . 1 1 20 20 LEU HD23 H 1 1.069 0.030 . 1 . . . . 20 LEU HD2 . 11296 1 176 . 1 1 20 20 LEU HG H 1 2.237 0.030 . 1 . . . . 20 LEU HG . 11296 1 177 . 1 1 20 20 LEU C C 13 179.744 0.300 . 1 . . . . 20 LEU C . 11296 1 178 . 1 1 20 20 LEU CA C 13 58.484 0.300 . 1 . . . . 20 LEU CA . 11296 1 179 . 1 1 20 20 LEU CB C 13 42.414 0.300 . 1 . . . . 20 LEU CB . 11296 1 180 . 1 1 20 20 LEU CD1 C 13 26.534 0.300 . 2 . . . . 20 LEU CD1 . 11296 1 181 . 1 1 20 20 LEU CD2 C 13 23.030 0.300 . 2 . . . . 20 LEU CD2 . 11296 1 182 . 1 1 20 20 LEU CG C 13 26.258 0.300 . 1 . . . . 20 LEU CG . 11296 1 183 . 1 1 20 20 LEU N N 15 120.686 0.300 . 1 . . . . 20 LEU N . 11296 1 184 . 1 1 21 21 GLU H H 1 9.085 0.030 . 1 . . . . 21 GLU H . 11296 1 185 . 1 1 21 21 GLU HA H 1 4.009 0.030 . 1 . . . . 21 GLU HA . 11296 1 186 . 1 1 21 21 GLU HB2 H 1 2.285 0.030 . 2 . . . . 21 GLU HB2 . 11296 1 187 . 1 1 21 21 GLU HB3 H 1 2.030 0.030 . 2 . . . . 21 GLU HB3 . 11296 1 188 . 1 1 21 21 GLU HG2 H 1 2.566 0.030 . 2 . . . . 21 GLU HG2 . 11296 1 189 . 1 1 21 21 GLU HG3 H 1 2.229 0.030 . 2 . . . . 21 GLU HG3 . 11296 1 190 . 1 1 21 21 GLU C C 13 179.198 0.300 . 1 . . . . 21 GLU C . 11296 1 191 . 1 1 21 21 GLU CA C 13 60.065 0.300 . 1 . . . . 21 GLU CA . 11296 1 192 . 1 1 21 21 GLU CB C 13 30.051 0.300 . 1 . . . . 21 GLU CB . 11296 1 193 . 1 1 21 21 GLU CG C 13 37.815 0.300 . 1 . . . . 21 GLU CG . 11296 1 194 . 1 1 21 21 GLU N N 15 119.499 0.300 . 1 . . . . 21 GLU N . 11296 1 195 . 1 1 22 22 SER H H 1 7.551 0.030 . 1 . . . . 22 SER H . 11296 1 196 . 1 1 22 22 SER HA H 1 4.368 0.030 . 1 . . . . 22 SER HA . 11296 1 197 . 1 1 22 22 SER HB2 H 1 4.041 0.030 . 1 . . . . 22 SER HB2 . 11296 1 198 . 1 1 22 22 SER HB3 H 1 4.041 0.030 . 1 . . . . 22 SER HB3 . 11296 1 199 . 1 1 22 22 SER C C 13 174.184 0.300 . 1 . . . . 22 SER C . 11296 1 200 . 1 1 22 22 SER CA C 13 60.694 0.300 . 1 . . . . 22 SER CA . 11296 1 201 . 1 1 22 22 SER CB C 13 63.791 0.300 . 1 . . . . 22 SER CB . 11296 1 202 . 1 1 22 22 SER N N 15 114.279 0.300 . 1 . . . . 22 SER N . 11296 1 203 . 1 1 23 23 ILE H H 1 7.419 0.030 . 1 . . . . 23 ILE H . 11296 1 204 . 1 1 23 23 ILE HA H 1 3.809 0.030 . 1 . . . . 23 ILE HA . 11296 1 205 . 1 1 23 23 ILE HB H 1 1.349 0.030 . 1 . . . . 23 ILE HB . 11296 1 206 . 1 1 23 23 ILE HD11 H 1 0.538 0.030 . 1 . . . . 23 ILE HD1 . 11296 1 207 . 1 1 23 23 ILE HD12 H 1 0.538 0.030 . 1 . . . . 23 ILE HD1 . 11296 1 208 . 1 1 23 23 ILE HD13 H 1 0.538 0.030 . 1 . . . . 23 ILE HD1 . 11296 1 209 . 1 1 23 23 ILE HG12 H 1 1.581 0.030 . 2 . . . . 23 ILE HG12 . 11296 1 210 . 1 1 23 23 ILE HG13 H 1 0.783 0.030 . 2 . . . . 23 ILE HG13 . 11296 1 211 . 1 1 23 23 ILE HG21 H 1 0.153 0.030 . 1 . . . . 23 ILE HG2 . 11296 1 212 . 1 1 23 23 ILE HG22 H 1 0.153 0.030 . 1 . . . . 23 ILE HG2 . 11296 1 213 . 1 1 23 23 ILE HG23 H 1 0.153 0.030 . 1 . . . . 23 ILE HG2 . 11296 1 214 . 1 1 23 23 ILE C C 13 177.316 0.300 . 1 . . . . 23 ILE C . 11296 1 215 . 1 1 23 23 ILE CA C 13 63.798 0.300 . 1 . . . . 23 ILE CA . 11296 1 216 . 1 1 23 23 ILE CB C 13 40.147 0.300 . 1 . . . . 23 ILE CB . 11296 1 217 . 1 1 23 23 ILE CD1 C 13 14.188 0.300 . 1 . . . . 23 ILE CD1 . 11296 1 218 . 1 1 23 23 ILE CG1 C 13 27.793 0.300 . 1 . . . . 23 ILE CG1 . 11296 1 219 . 1 1 23 23 ILE CG2 C 13 16.089 0.300 . 1 . . . . 23 ILE CG2 . 11296 1 220 . 1 1 23 23 ILE N N 15 121.880 0.300 . 1 . . . . 23 ILE N . 11296 1 221 . 1 1 24 24 TYR H H 1 8.272 0.030 . 1 . . . . 24 TYR H . 11296 1 222 . 1 1 24 24 TYR HA H 1 4.508 0.030 . 1 . . . . 24 TYR HA . 11296 1 223 . 1 1 24 24 TYR HB2 H 1 3.084 0.030 . 2 . . . . 24 TYR HB2 . 11296 1 224 . 1 1 24 24 TYR HB3 H 1 2.605 0.030 . 2 . . . . 24 TYR HB3 . 11296 1 225 . 1 1 24 24 TYR HD1 H 1 7.168 0.030 . 1 . . . . 24 TYR HD1 . 11296 1 226 . 1 1 24 24 TYR HD2 H 1 7.168 0.030 . 1 . . . . 24 TYR HD2 . 11296 1 227 . 1 1 24 24 TYR HE1 H 1 6.642 0.030 . 1 . . . . 24 TYR HE1 . 11296 1 228 . 1 1 24 24 TYR HE2 H 1 6.642 0.030 . 1 . . . . 24 TYR HE2 . 11296 1 229 . 1 1 24 24 TYR C C 13 176.150 0.300 . 1 . . . . 24 TYR C . 11296 1 230 . 1 1 24 24 TYR CA C 13 59.003 0.300 . 1 . . . . 24 TYR CA . 11296 1 231 . 1 1 24 24 TYR CB C 13 40.154 0.300 . 1 . . . . 24 TYR CB . 11296 1 232 . 1 1 24 24 TYR CD1 C 13 132.747 0.300 . 1 . . . . 24 TYR CD1 . 11296 1 233 . 1 1 24 24 TYR CD2 C 13 132.747 0.300 . 1 . . . . 24 TYR CD2 . 11296 1 234 . 1 1 24 24 TYR CE1 C 13 117.683 0.300 . 1 . . . . 24 TYR CE1 . 11296 1 235 . 1 1 24 24 TYR CE2 C 13 117.683 0.300 . 1 . . . . 24 TYR CE2 . 11296 1 236 . 1 1 24 24 TYR N N 15 116.744 0.300 . 1 . . . . 24 TYR N . 11296 1 237 . 1 1 25 25 LEU H H 1 7.972 0.030 . 1 . . . . 25 LEU H . 11296 1 238 . 1 1 25 25 LEU HA H 1 4.194 0.030 . 1 . . . . 25 LEU HA . 11296 1 239 . 1 1 25 25 LEU HB2 H 1 2.101 0.030 . 2 . . . . 25 LEU HB2 . 11296 1 240 . 1 1 25 25 LEU HB3 H 1 1.595 0.030 . 2 . . . . 25 LEU HB3 . 11296 1 241 . 1 1 25 25 LEU HD11 H 1 0.962 0.030 . 1 . . . . 25 LEU HD1 . 11296 1 242 . 1 1 25 25 LEU HD12 H 1 0.962 0.030 . 1 . . . . 25 LEU HD1 . 11296 1 243 . 1 1 25 25 LEU HD13 H 1 0.962 0.030 . 1 . . . . 25 LEU HD1 . 11296 1 244 . 1 1 25 25 LEU HD21 H 1 0.950 0.030 . 1 . . . . 25 LEU HD2 . 11296 1 245 . 1 1 25 25 LEU HD22 H 1 0.950 0.030 . 1 . . . . 25 LEU HD2 . 11296 1 246 . 1 1 25 25 LEU HD23 H 1 0.950 0.030 . 1 . . . . 25 LEU HD2 . 11296 1 247 . 1 1 25 25 LEU HG H 1 1.527 0.030 . 1 . . . . 25 LEU HG . 11296 1 248 . 1 1 25 25 LEU C C 13 177.449 0.300 . 1 . . . . 25 LEU C . 11296 1 249 . 1 1 25 25 LEU CA C 13 56.030 0.300 . 1 . . . . 25 LEU CA . 11296 1 250 . 1 1 25 25 LEU CB C 13 39.645 0.300 . 1 . . . . 25 LEU CB . 11296 1 251 . 1 1 25 25 LEU CD1 C 13 25.778 0.300 . 2 . . . . 25 LEU CD1 . 11296 1 252 . 1 1 25 25 LEU CD2 C 13 23.032 0.300 . 2 . . . . 25 LEU CD2 . 11296 1 253 . 1 1 25 25 LEU CG C 13 27.065 0.300 . 1 . . . . 25 LEU CG . 11296 1 254 . 1 1 25 25 LEU N N 15 119.708 0.300 . 1 . . . . 25 LEU N . 11296 1 255 . 1 1 26 26 ASP H H 1 8.292 0.030 . 1 . . . . 26 ASP H . 11296 1 256 . 1 1 26 26 ASP HA H 1 4.544 0.030 . 1 . . . . 26 ASP HA . 11296 1 257 . 1 1 26 26 ASP HB2 H 1 2.797 0.030 . 1 . . . . 26 ASP HB2 . 11296 1 258 . 1 1 26 26 ASP HB3 H 1 2.797 0.030 . 1 . . . . 26 ASP HB3 . 11296 1 259 . 1 1 26 26 ASP C C 13 176.781 0.300 . 1 . . . . 26 ASP C . 11296 1 260 . 1 1 26 26 ASP CA C 13 55.762 0.300 . 1 . . . . 26 ASP CA . 11296 1 261 . 1 1 26 26 ASP CB C 13 40.154 0.300 . 1 . . . . 26 ASP CB . 11296 1 262 . 1 1 26 26 ASP N N 15 118.790 0.300 . 1 . . . . 26 ASP N . 11296 1 263 . 1 1 27 27 GLU H H 1 7.910 0.030 . 1 . . . . 27 GLU H . 11296 1 264 . 1 1 27 27 GLU HA H 1 4.272 0.030 . 1 . . . . 27 GLU HA . 11296 1 265 . 1 1 27 27 GLU HB2 H 1 2.369 0.030 . 2 . . . . 27 GLU HB2 . 11296 1 266 . 1 1 27 27 GLU HB3 H 1 2.118 0.030 . 2 . . . . 27 GLU HB3 . 11296 1 267 . 1 1 27 27 GLU HG2 H 1 2.540 0.030 . 2 . . . . 27 GLU HG2 . 11296 1 268 . 1 1 27 27 GLU HG3 H 1 2.319 0.030 . 2 . . . . 27 GLU HG3 . 11296 1 269 . 1 1 27 27 GLU C C 13 175.992 0.300 . 1 . . . . 27 GLU C . 11296 1 270 . 1 1 27 27 GLU CA C 13 57.728 0.300 . 1 . . . . 27 GLU CA . 11296 1 271 . 1 1 27 27 GLU CB C 13 30.141 0.300 . 1 . . . . 27 GLU CB . 11296 1 272 . 1 1 27 27 GLU CG C 13 37.339 0.300 . 1 . . . . 27 GLU CG . 11296 1 273 . 1 1 27 27 GLU N N 15 116.426 0.300 . 1 . . . . 27 GLU N . 11296 1 274 . 1 1 28 28 LEU H H 1 7.549 0.030 . 1 . . . . 28 LEU H . 11296 1 275 . 1 1 28 28 LEU HA H 1 4.627 0.030 . 1 . . . . 28 LEU HA . 11296 1 276 . 1 1 28 28 LEU HB2 H 1 2.021 0.030 . 2 . . . . 28 LEU HB2 . 11296 1 277 . 1 1 28 28 LEU HB3 H 1 1.244 0.030 . 2 . . . . 28 LEU HB3 . 11296 1 278 . 1 1 28 28 LEU HD11 H 1 0.707 0.030 . 1 . . . . 28 LEU HD1 . 11296 1 279 . 1 1 28 28 LEU HD12 H 1 0.707 0.030 . 1 . . . . 28 LEU HD1 . 11296 1 280 . 1 1 28 28 LEU HD13 H 1 0.707 0.030 . 1 . . . . 28 LEU HD1 . 11296 1 281 . 1 1 28 28 LEU HD21 H 1 0.796 0.030 . 1 . . . . 28 LEU HD2 . 11296 1 282 . 1 1 28 28 LEU HD22 H 1 0.796 0.030 . 1 . . . . 28 LEU HD2 . 11296 1 283 . 1 1 28 28 LEU HD23 H 1 0.796 0.030 . 1 . . . . 28 LEU HD2 . 11296 1 284 . 1 1 28 28 LEU HG H 1 1.414 0.030 . 1 . . . . 28 LEU HG . 11296 1 285 . 1 1 28 28 LEU C C 13 174.936 0.300 . 1 . . . . 28 LEU C . 11296 1 286 . 1 1 28 28 LEU CA C 13 54.238 0.300 . 1 . . . . 28 LEU CA . 11296 1 287 . 1 1 28 28 LEU CB C 13 45.142 0.300 . 1 . . . . 28 LEU CB . 11296 1 288 . 1 1 28 28 LEU CD1 C 13 25.551 0.300 . 2 . . . . 28 LEU CD1 . 11296 1 289 . 1 1 28 28 LEU CD2 C 13 27.564 0.300 . 2 . . . . 28 LEU CD2 . 11296 1 290 . 1 1 28 28 LEU CG C 13 27.081 0.300 . 1 . . . . 28 LEU CG . 11296 1 291 . 1 1 28 28 LEU N N 15 120.968 0.300 . 1 . . . . 28 LEU N . 11296 1 292 . 1 1 29 29 GLN H H 1 8.734 0.030 . 1 . . . . 29 GLN H . 11296 1 293 . 1 1 29 29 GLN HA H 1 4.598 0.030 . 1 . . . . 29 GLN HA . 11296 1 294 . 1 1 29 29 GLN HB2 H 1 1.668 0.030 . 2 . . . . 29 GLN HB2 . 11296 1 295 . 1 1 29 29 GLN HB3 H 1 1.258 0.030 . 2 . . . . 29 GLN HB3 . 11296 1 296 . 1 1 29 29 GLN HE21 H 1 7.084 0.030 . 2 . . . . 29 GLN HE21 . 11296 1 297 . 1 1 29 29 GLN HE22 H 1 6.693 0.030 . 2 . . . . 29 GLN HE22 . 11296 1 298 . 1 1 29 29 GLN HG2 H 1 2.168 0.030 . 2 . . . . 29 GLN HG2 . 11296 1 299 . 1 1 29 29 GLN HG3 H 1 2.083 0.030 . 2 . . . . 29 GLN HG3 . 11296 1 300 . 1 1 29 29 GLN C C 13 173.989 0.300 . 1 . . . . 29 GLN C . 11296 1 301 . 1 1 29 29 GLN CA C 13 54.472 0.300 . 1 . . . . 29 GLN CA . 11296 1 302 . 1 1 29 29 GLN CB C 13 30.508 0.300 . 1 . . . . 29 GLN CB . 11296 1 303 . 1 1 29 29 GLN CG C 13 33.856 0.300 . 1 . . . . 29 GLN CG . 11296 1 304 . 1 1 29 29 GLN N N 15 126.005 0.300 . 1 . . . . 29 GLN N . 11296 1 305 . 1 1 29 29 GLN NE2 N 15 112.312 0.300 . 1 . . . . 29 GLN NE2 . 11296 1 306 . 1 1 30 30 VAL H H 1 8.482 0.030 . 1 . . . . 30 VAL H . 11296 1 307 . 1 1 30 30 VAL HA H 1 4.842 0.030 . 1 . . . . 30 VAL HA . 11296 1 308 . 1 1 30 30 VAL HB H 1 1.940 0.030 . 1 . . . . 30 VAL HB . 11296 1 309 . 1 1 30 30 VAL HG11 H 1 0.851 0.030 . 1 . . . . 30 VAL HG1 . 11296 1 310 . 1 1 30 30 VAL HG12 H 1 0.851 0.030 . 1 . . . . 30 VAL HG1 . 11296 1 311 . 1 1 30 30 VAL HG13 H 1 0.851 0.030 . 1 . . . . 30 VAL HG1 . 11296 1 312 . 1 1 30 30 VAL HG21 H 1 0.908 0.030 . 1 . . . . 30 VAL HG2 . 11296 1 313 . 1 1 30 30 VAL HG22 H 1 0.908 0.030 . 1 . . . . 30 VAL HG2 . 11296 1 314 . 1 1 30 30 VAL HG23 H 1 0.908 0.030 . 1 . . . . 30 VAL HG2 . 11296 1 315 . 1 1 30 30 VAL C C 13 175.361 0.300 . 1 . . . . 30 VAL C . 11296 1 316 . 1 1 30 30 VAL CA C 13 60.737 0.300 . 1 . . . . 30 VAL CA . 11296 1 317 . 1 1 30 30 VAL CB C 13 34.880 0.300 . 1 . . . . 30 VAL CB . 11296 1 318 . 1 1 30 30 VAL CG1 C 13 21.470 0.300 . 2 . . . . 30 VAL CG1 . 11296 1 319 . 1 1 30 30 VAL CG2 C 13 21.494 0.300 . 2 . . . . 30 VAL CG2 . 11296 1 320 . 1 1 30 30 VAL N N 15 122.551 0.300 . 1 . . . . 30 VAL N . 11296 1 321 . 1 1 31 31 ILE H H 1 9.659 0.030 . 1 . . . . 31 ILE H . 11296 1 322 . 1 1 31 31 ILE HA H 1 4.199 0.030 . 1 . . . . 31 ILE HA . 11296 1 323 . 1 1 31 31 ILE HB H 1 2.005 0.030 . 1 . . . . 31 ILE HB . 11296 1 324 . 1 1 31 31 ILE HD11 H 1 0.848 0.030 . 1 . . . . 31 ILE HD1 . 11296 1 325 . 1 1 31 31 ILE HD12 H 1 0.848 0.030 . 1 . . . . 31 ILE HD1 . 11296 1 326 . 1 1 31 31 ILE HD13 H 1 0.848 0.030 . 1 . . . . 31 ILE HD1 . 11296 1 327 . 1 1 31 31 ILE HG12 H 1 1.498 0.030 . 2 . . . . 31 ILE HG12 . 11296 1 328 . 1 1 31 31 ILE HG13 H 1 1.155 0.030 . 2 . . . . 31 ILE HG13 . 11296 1 329 . 1 1 31 31 ILE HG21 H 1 0.814 0.030 . 1 . . . . 31 ILE HG2 . 11296 1 330 . 1 1 31 31 ILE HG22 H 1 0.814 0.030 . 1 . . . . 31 ILE HG2 . 11296 1 331 . 1 1 31 31 ILE HG23 H 1 0.814 0.030 . 1 . . . . 31 ILE HG2 . 11296 1 332 . 1 1 31 31 ILE C C 13 175.847 0.300 . 1 . . . . 31 ILE C . 11296 1 333 . 1 1 31 31 ILE CA C 13 60.294 0.300 . 1 . . . . 31 ILE CA . 11296 1 334 . 1 1 31 31 ILE CB C 13 37.857 0.300 . 1 . . . . 31 ILE CB . 11296 1 335 . 1 1 31 31 ILE CD1 C 13 12.715 0.300 . 1 . . . . 31 ILE CD1 . 11296 1 336 . 1 1 31 31 ILE CG1 C 13 27.032 0.300 . 1 . . . . 31 ILE CG1 . 11296 1 337 . 1 1 31 31 ILE CG2 C 13 17.485 0.300 . 1 . . . . 31 ILE CG2 . 11296 1 338 . 1 1 31 31 ILE N N 15 130.469 0.300 . 1 . . . . 31 ILE N . 11296 1 339 . 1 1 32 32 LYS H H 1 8.416 0.030 . 1 . . . . 32 LYS H . 11296 1 340 . 1 1 32 32 LYS HA H 1 2.850 0.030 . 1 . . . . 32 LYS HA . 11296 1 341 . 1 1 32 32 LYS HB2 H 1 1.097 0.030 . 2 . . . . 32 LYS HB2 . 11296 1 342 . 1 1 32 32 LYS HB3 H 1 0.662 0.030 . 2 . . . . 32 LYS HB3 . 11296 1 343 . 1 1 32 32 LYS HD2 H 1 1.297 0.030 . 1 . . . . 32 LYS HD2 . 11296 1 344 . 1 1 32 32 LYS HD3 H 1 1.297 0.030 . 1 . . . . 32 LYS HD3 . 11296 1 345 . 1 1 32 32 LYS HE2 H 1 2.744 0.030 . 1 . . . . 32 LYS HE2 . 11296 1 346 . 1 1 32 32 LYS HE3 H 1 2.744 0.030 . 1 . . . . 32 LYS HE3 . 11296 1 347 . 1 1 32 32 LYS HG2 H 1 0.804 0.030 . 2 . . . . 32 LYS HG2 . 11296 1 348 . 1 1 32 32 LYS HG3 H 1 -0.009 0.030 . 2 . . . . 32 LYS HG3 . 11296 1 349 . 1 1 32 32 LYS C C 13 176.794 0.300 . 1 . . . . 32 LYS C . 11296 1 350 . 1 1 32 32 LYS CA C 13 56.590 0.300 . 1 . . . . 32 LYS CA . 11296 1 351 . 1 1 32 32 LYS CB C 13 32.700 0.300 . 1 . . . . 32 LYS CB . 11296 1 352 . 1 1 32 32 LYS CD C 13 29.477 0.300 . 1 . . . . 32 LYS CD . 11296 1 353 . 1 1 32 32 LYS CE C 13 42.049 0.300 . 1 . . . . 32 LYS CE . 11296 1 354 . 1 1 32 32 LYS CG C 13 25.651 0.300 . 1 . . . . 32 LYS CG . 11296 1 355 . 1 1 32 32 LYS N N 15 127.138 0.300 . 1 . . . . 32 LYS N . 11296 1 356 . 1 1 33 33 GLY H H 1 5.224 0.030 . 1 . . . . 33 GLY H . 11296 1 357 . 1 1 33 33 GLY HA2 H 1 3.985 0.030 . 2 . . . . 33 GLY HA2 . 11296 1 358 . 1 1 33 33 GLY HA3 H 1 3.547 0.030 . 2 . . . . 33 GLY HA3 . 11296 1 359 . 1 1 33 33 GLY CA C 13 44.680 0.300 . 1 . . . . 33 GLY CA . 11296 1 360 . 1 1 34 34 ASN HA H 1 4.777 0.030 . 1 . . . . 34 ASN HA . 11296 1 361 . 1 1 34 34 ASN HB2 H 1 2.818 0.030 . 2 . . . . 34 ASN HB2 . 11296 1 362 . 1 1 34 34 ASN HB3 H 1 2.749 0.030 . 2 . . . . 34 ASN HB3 . 11296 1 363 . 1 1 34 34 ASN HD21 H 1 7.605 0.030 . 2 . . . . 34 ASN HD21 . 11296 1 364 . 1 1 34 34 ASN HD22 H 1 6.928 0.030 . 2 . . . . 34 ASN HD22 . 11296 1 365 . 1 1 34 34 ASN CA C 13 52.516 0.300 . 1 . . . . 34 ASN CA . 11296 1 366 . 1 1 34 34 ASN CB C 13 38.136 0.300 . 1 . . . . 34 ASN CB . 11296 1 367 . 1 1 34 34 ASN ND2 N 15 112.612 0.300 . 1 . . . . 34 ASN ND2 . 11296 1 368 . 1 1 35 35 GLY H H 1 8.481 0.030 . 1 . . . . 35 GLY H . 11296 1 369 . 1 1 35 35 GLY HA2 H 1 4.242 0.030 . 2 . . . . 35 GLY HA2 . 11296 1 370 . 1 1 35 35 GLY HA3 H 1 4.101 0.030 . 2 . . . . 35 GLY HA3 . 11296 1 371 . 1 1 35 35 GLY CA C 13 45.692 0.300 . 1 . . . . 35 GLY CA . 11296 1 372 . 1 1 35 35 GLY N N 15 113.021 0.300 . 1 . . . . 35 GLY N . 11296 1 373 . 1 1 36 36 ARG HA H 1 4.303 0.030 . 1 . . . . 36 ARG HA . 11296 1 374 . 1 1 36 36 ARG HB2 H 1 1.738 0.030 . 2 . . . . 36 ARG HB2 . 11296 1 375 . 1 1 36 36 ARG HB3 H 1 1.533 0.030 . 2 . . . . 36 ARG HB3 . 11296 1 376 . 1 1 36 36 ARG HD2 H 1 2.768 0.030 . 2 . . . . 36 ARG HD2 . 11296 1 377 . 1 1 36 36 ARG HD3 H 1 2.567 0.030 . 2 . . . . 36 ARG HD3 . 11296 1 378 . 1 1 36 36 ARG HG2 H 1 1.321 0.030 . 2 . . . . 36 ARG HG2 . 11296 1 379 . 1 1 36 36 ARG HG3 H 1 0.930 0.030 . 2 . . . . 36 ARG HG3 . 11296 1 380 . 1 1 36 36 ARG CA C 13 56.277 0.300 . 1 . . . . 36 ARG CA . 11296 1 381 . 1 1 36 36 ARG CB C 13 30.331 0.300 . 1 . . . . 36 ARG CB . 11296 1 382 . 1 1 36 36 ARG CD C 13 42.769 0.300 . 1 . . . . 36 ARG CD . 11296 1 383 . 1 1 36 36 ARG CG C 13 27.133 0.300 . 1 . . . . 36 ARG CG . 11296 1 384 . 1 1 37 37 THR H H 1 8.025 0.030 . 1 . . . . 37 THR H . 11296 1 385 . 1 1 37 37 THR HA H 1 4.320 0.030 . 1 . . . . 37 THR HA . 11296 1 386 . 1 1 37 37 THR HB H 1 4.495 0.030 . 1 . . . . 37 THR HB . 11296 1 387 . 1 1 37 37 THR HG21 H 1 1.180 0.030 . 1 . . . . 37 THR HG2 . 11296 1 388 . 1 1 37 37 THR HG22 H 1 1.180 0.030 . 1 . . . . 37 THR HG2 . 11296 1 389 . 1 1 37 37 THR HG23 H 1 1.180 0.030 . 1 . . . . 37 THR HG2 . 11296 1 390 . 1 1 37 37 THR CA C 13 61.926 0.300 . 1 . . . . 37 THR CA . 11296 1 391 . 1 1 37 37 THR CB C 13 69.398 0.300 . 1 . . . . 37 THR CB . 11296 1 392 . 1 1 37 37 THR CG2 C 13 21.648 0.300 . 1 . . . . 37 THR CG2 . 11296 1 393 . 1 1 37 37 THR N N 15 106.906 0.300 . 1 . . . . 37 THR N . 11296 1 394 . 1 1 38 38 SER H H 1 7.592 0.030 . 1 . . . . 38 SER H . 11296 1 395 . 1 1 38 38 SER HA H 1 5.001 0.030 . 1 . . . . 38 SER HA . 11296 1 396 . 1 1 38 38 SER HB2 H 1 4.013 0.030 . 2 . . . . 38 SER HB2 . 11296 1 397 . 1 1 38 38 SER HB3 H 1 3.938 0.030 . 2 . . . . 38 SER HB3 . 11296 1 398 . 1 1 38 38 SER CA C 13 56.536 0.300 . 1 . . . . 38 SER CA . 11296 1 399 . 1 1 38 38 SER CB C 13 63.811 0.300 . 1 . . . . 38 SER CB . 11296 1 400 . 1 1 38 38 SER N N 15 118.273 0.300 . 1 . . . . 38 SER N . 11296 1 401 . 1 1 39 39 PRO HA H 1 4.990 0.030 . 1 . . . . 39 PRO HA . 11296 1 402 . 1 1 39 39 PRO HB2 H 1 2.245 0.030 . 2 . . . . 39 PRO HB2 . 11296 1 403 . 1 1 39 39 PRO HB3 H 1 1.870 0.030 . 2 . . . . 39 PRO HB3 . 11296 1 404 . 1 1 39 39 PRO HD2 H 1 3.971 0.030 . 2 . . . . 39 PRO HD2 . 11296 1 405 . 1 1 39 39 PRO HD3 H 1 3.814 0.030 . 2 . . . . 39 PRO HD3 . 11296 1 406 . 1 1 39 39 PRO HG2 H 1 2.053 0.030 . 1 . . . . 39 PRO HG2 . 11296 1 407 . 1 1 39 39 PRO HG3 H 1 2.053 0.030 . 1 . . . . 39 PRO HG3 . 11296 1 408 . 1 1 39 39 PRO CA C 13 63.309 0.300 . 1 . . . . 39 PRO CA . 11296 1 409 . 1 1 39 39 PRO CB C 13 32.878 0.300 . 1 . . . . 39 PRO CB . 11296 1 410 . 1 1 39 39 PRO CD C 13 50.947 0.300 . 1 . . . . 39 PRO CD . 11296 1 411 . 1 1 39 39 PRO CG C 13 27.290 0.300 . 1 . . . . 39 PRO CG . 11296 1 412 . 1 1 40 40 TRP H H 1 8.627 0.030 . 1 . . . . 40 TRP H . 11296 1 413 . 1 1 40 40 TRP HA H 1 5.177 0.030 . 1 . . . . 40 TRP HA . 11296 1 414 . 1 1 40 40 TRP HB2 H 1 3.072 0.030 . 2 . . . . 40 TRP HB2 . 11296 1 415 . 1 1 40 40 TRP HB3 H 1 2.870 0.030 . 2 . . . . 40 TRP HB3 . 11296 1 416 . 1 1 40 40 TRP HD1 H 1 7.917 0.030 . 1 . . . . 40 TRP HD1 . 11296 1 417 . 1 1 40 40 TRP HE1 H 1 10.857 0.030 . 1 . . . . 40 TRP HE1 . 11296 1 418 . 1 1 40 40 TRP HE3 H 1 7.059 0.030 . 1 . . . . 40 TRP HE3 . 11296 1 419 . 1 1 40 40 TRP HH2 H 1 7.198 0.030 . 1 . . . . 40 TRP HH2 . 11296 1 420 . 1 1 40 40 TRP HZ2 H 1 7.681 0.030 . 1 . . . . 40 TRP HZ2 . 11296 1 421 . 1 1 40 40 TRP HZ3 H 1 6.891 0.030 . 1 . . . . 40 TRP HZ3 . 11296 1 422 . 1 1 40 40 TRP C C 13 175.288 0.300 . 1 . . . . 40 TRP C . 11296 1 423 . 1 1 40 40 TRP CA C 13 56.066 0.300 . 1 . . . . 40 TRP CA . 11296 1 424 . 1 1 40 40 TRP CB C 13 30.841 0.300 . 1 . . . . 40 TRP CB . 11296 1 425 . 1 1 40 40 TRP CD1 C 13 124.870 0.300 . 1 . . . . 40 TRP CD1 . 11296 1 426 . 1 1 40 40 TRP CE3 C 13 119.687 0.300 . 1 . . . . 40 TRP CE3 . 11296 1 427 . 1 1 40 40 TRP CH2 C 13 124.470 0.300 . 1 . . . . 40 TRP CH2 . 11296 1 428 . 1 1 40 40 TRP CZ2 C 13 115.329 0.300 . 1 . . . . 40 TRP CZ2 . 11296 1 429 . 1 1 40 40 TRP CZ3 C 13 121.701 0.300 . 1 . . . . 40 TRP CZ3 . 11296 1 430 . 1 1 40 40 TRP N N 15 121.402 0.300 . 1 . . . . 40 TRP N . 11296 1 431 . 1 1 40 40 TRP NE1 N 15 131.474 0.300 . 1 . . . . 40 TRP NE1 . 11296 1 432 . 1 1 41 41 GLU H H 1 8.878 0.030 . 1 . . . . 41 GLU H . 11296 1 433 . 1 1 41 41 GLU HA H 1 5.372 0.030 . 1 . . . . 41 GLU HA . 11296 1 434 . 1 1 41 41 GLU HB2 H 1 2.026 0.030 . 2 . . . . 41 GLU HB2 . 11296 1 435 . 1 1 41 41 GLU HB3 H 1 1.971 0.030 . 2 . . . . 41 GLU HB3 . 11296 1 436 . 1 1 41 41 GLU HG2 H 1 2.175 0.030 . 2 . . . . 41 GLU HG2 . 11296 1 437 . 1 1 41 41 GLU HG3 H 1 2.035 0.030 . 2 . . . . 41 GLU HG3 . 11296 1 438 . 1 1 41 41 GLU C C 13 174.026 0.300 . 1 . . . . 41 GLU C . 11296 1 439 . 1 1 41 41 GLU CA C 13 55.365 0.300 . 1 . . . . 41 GLU CA . 11296 1 440 . 1 1 41 41 GLU CB C 13 33.504 0.300 . 1 . . . . 41 GLU CB . 11296 1 441 . 1 1 41 41 GLU CG C 13 37.187 0.300 . 1 . . . . 41 GLU CG . 11296 1 442 . 1 1 41 41 GLU N N 15 121.586 0.300 . 1 . . . . 41 GLU N . 11296 1 443 . 1 1 42 42 ILE H H 1 8.990 0.030 . 1 . . . . 42 ILE H . 11296 1 444 . 1 1 42 42 ILE HA H 1 5.003 0.030 . 1 . . . . 42 ILE HA . 11296 1 445 . 1 1 42 42 ILE HB H 1 1.719 0.030 . 1 . . . . 42 ILE HB . 11296 1 446 . 1 1 42 42 ILE HD11 H 1 0.797 0.030 . 1 . . . . 42 ILE HD1 . 11296 1 447 . 1 1 42 42 ILE HD12 H 1 0.797 0.030 . 1 . . . . 42 ILE HD1 . 11296 1 448 . 1 1 42 42 ILE HD13 H 1 0.797 0.030 . 1 . . . . 42 ILE HD1 . 11296 1 449 . 1 1 42 42 ILE HG12 H 1 1.575 0.030 . 2 . . . . 42 ILE HG12 . 11296 1 450 . 1 1 42 42 ILE HG13 H 1 1.203 0.030 . 2 . . . . 42 ILE HG13 . 11296 1 451 . 1 1 42 42 ILE HG21 H 1 0.785 0.030 . 1 . . . . 42 ILE HG2 . 11296 1 452 . 1 1 42 42 ILE HG22 H 1 0.785 0.030 . 1 . . . . 42 ILE HG2 . 11296 1 453 . 1 1 42 42 ILE HG23 H 1 0.785 0.030 . 1 . . . . 42 ILE HG2 . 11296 1 454 . 1 1 42 42 ILE C C 13 173.674 0.300 . 1 . . . . 42 ILE C . 11296 1 455 . 1 1 42 42 ILE CA C 13 59.761 0.300 . 1 . . . . 42 ILE CA . 11296 1 456 . 1 1 42 42 ILE CB C 13 41.432 0.300 . 1 . . . . 42 ILE CB . 11296 1 457 . 1 1 42 42 ILE CD1 C 13 15.222 0.300 . 1 . . . . 42 ILE CD1 . 11296 1 458 . 1 1 42 42 ILE CG1 C 13 28.794 0.300 . 1 . . . . 42 ILE CG1 . 11296 1 459 . 1 1 42 42 ILE CG2 C 13 18.232 0.300 . 1 . . . . 42 ILE CG2 . 11296 1 460 . 1 1 42 42 ILE N N 15 125.262 0.300 . 1 . . . . 42 ILE N . 11296 1 461 . 1 1 43 43 TYR H H 1 9.115 0.030 . 1 . . . . 43 TYR H . 11296 1 462 . 1 1 43 43 TYR HA H 1 5.733 0.030 . 1 . . . . 43 TYR HA . 11296 1 463 . 1 1 43 43 TYR HB2 H 1 2.914 0.030 . 2 . . . . 43 TYR HB2 . 11296 1 464 . 1 1 43 43 TYR HB3 H 1 2.825 0.030 . 2 . . . . 43 TYR HB3 . 11296 1 465 . 1 1 43 43 TYR HD1 H 1 6.877 0.030 . 1 . . . . 43 TYR HD1 . 11296 1 466 . 1 1 43 43 TYR HD2 H 1 6.877 0.030 . 1 . . . . 43 TYR HD2 . 11296 1 467 . 1 1 43 43 TYR HE1 H 1 6.671 0.030 . 1 . . . . 43 TYR HE1 . 11296 1 468 . 1 1 43 43 TYR HE2 H 1 6.671 0.030 . 1 . . . . 43 TYR HE2 . 11296 1 469 . 1 1 43 43 TYR C C 13 174.633 0.300 . 1 . . . . 43 TYR C . 11296 1 470 . 1 1 43 43 TYR CA C 13 55.454 0.300 . 1 . . . . 43 TYR CA . 11296 1 471 . 1 1 43 43 TYR CB C 13 41.660 0.300 . 1 . . . . 43 TYR CB . 11296 1 472 . 1 1 43 43 TYR CD1 C 13 133.291 0.300 . 1 . . . . 43 TYR CD1 . 11296 1 473 . 1 1 43 43 TYR CD2 C 13 133.291 0.300 . 1 . . . . 43 TYR CD2 . 11296 1 474 . 1 1 43 43 TYR CE1 C 13 118.646 0.300 . 1 . . . . 43 TYR CE1 . 11296 1 475 . 1 1 43 43 TYR CE2 C 13 118.646 0.300 . 1 . . . . 43 TYR CE2 . 11296 1 476 . 1 1 43 43 TYR N N 15 123.060 0.300 . 1 . . . . 43 TYR N . 11296 1 477 . 1 1 44 44 ILE H H 1 8.541 0.030 . 1 . . . . 44 ILE H . 11296 1 478 . 1 1 44 44 ILE HA H 1 4.777 0.030 . 1 . . . . 44 ILE HA . 11296 1 479 . 1 1 44 44 ILE HB H 1 1.802 0.030 . 1 . . . . 44 ILE HB . 11296 1 480 . 1 1 44 44 ILE HD11 H 1 0.326 0.030 . 1 . . . . 44 ILE HD1 . 11296 1 481 . 1 1 44 44 ILE HD12 H 1 0.326 0.030 . 1 . . . . 44 ILE HD1 . 11296 1 482 . 1 1 44 44 ILE HD13 H 1 0.326 0.030 . 1 . . . . 44 ILE HD1 . 11296 1 483 . 1 1 44 44 ILE HG12 H 1 1.458 0.030 . 2 . . . . 44 ILE HG12 . 11296 1 484 . 1 1 44 44 ILE HG13 H 1 0.644 0.030 . 2 . . . . 44 ILE HG13 . 11296 1 485 . 1 1 44 44 ILE HG21 H 1 0.631 0.030 . 1 . . . . 44 ILE HG2 . 11296 1 486 . 1 1 44 44 ILE HG22 H 1 0.631 0.030 . 1 . . . . 44 ILE HG2 . 11296 1 487 . 1 1 44 44 ILE HG23 H 1 0.631 0.030 . 1 . . . . 44 ILE HG2 . 11296 1 488 . 1 1 44 44 ILE C C 13 172.860 0.300 . 1 . . . . 44 ILE C . 11296 1 489 . 1 1 44 44 ILE CA C 13 60.140 0.300 . 1 . . . . 44 ILE CA . 11296 1 490 . 1 1 44 44 ILE CB C 13 40.854 0.300 . 1 . . . . 44 ILE CB . 11296 1 491 . 1 1 44 44 ILE CD1 C 13 14.857 0.300 . 1 . . . . 44 ILE CD1 . 11296 1 492 . 1 1 44 44 ILE CG1 C 13 28.298 0.300 . 1 . . . . 44 ILE CG1 . 11296 1 493 . 1 1 44 44 ILE CG2 C 13 14.460 0.300 . 1 . . . . 44 ILE CG2 . 11296 1 494 . 1 1 44 44 ILE N N 15 118.232 0.300 . 1 . . . . 44 ILE N . 11296 1 495 . 1 1 45 45 THR H H 1 9.131 0.030 . 1 . . . . 45 THR H . 11296 1 496 . 1 1 45 45 THR HA H 1 4.663 0.030 . 1 . . . . 45 THR HA . 11296 1 497 . 1 1 45 45 THR HB H 1 4.054 0.030 . 1 . . . . 45 THR HB . 11296 1 498 . 1 1 45 45 THR HG21 H 1 0.934 0.030 . 1 . . . . 45 THR HG2 . 11296 1 499 . 1 1 45 45 THR HG22 H 1 0.934 0.030 . 1 . . . . 45 THR HG2 . 11296 1 500 . 1 1 45 45 THR HG23 H 1 0.934 0.030 . 1 . . . . 45 THR HG2 . 11296 1 501 . 1 1 45 45 THR C C 13 172.447 0.300 . 1 . . . . 45 THR C . 11296 1 502 . 1 1 45 45 THR CA C 13 63.109 0.300 . 1 . . . . 45 THR CA . 11296 1 503 . 1 1 45 45 THR CB C 13 68.824 0.300 . 1 . . . . 45 THR CB . 11296 1 504 . 1 1 45 45 THR CG2 C 13 21.728 0.300 . 1 . . . . 45 THR CG2 . 11296 1 505 . 1 1 45 45 THR N N 15 126.894 0.300 . 1 . . . . 45 THR N . 11296 1 506 . 1 1 46 46 LEU H H 1 8.630 0.030 . 1 . . . . 46 LEU H . 11296 1 507 . 1 1 46 46 LEU HA H 1 4.417 0.030 . 1 . . . . 46 LEU HA . 11296 1 508 . 1 1 46 46 LEU HB2 H 1 0.750 0.030 . 1 . . . . 46 LEU HB2 . 11296 1 509 . 1 1 46 46 LEU HB3 H 1 0.750 0.030 . 1 . . . . 46 LEU HB3 . 11296 1 510 . 1 1 46 46 LEU HD11 H 1 0.651 0.030 . 1 . . . . 46 LEU HD1 . 11296 1 511 . 1 1 46 46 LEU HD12 H 1 0.651 0.030 . 1 . . . . 46 LEU HD1 . 11296 1 512 . 1 1 46 46 LEU HD13 H 1 0.651 0.030 . 1 . . . . 46 LEU HD1 . 11296 1 513 . 1 1 46 46 LEU HD21 H 1 0.563 0.030 . 1 . . . . 46 LEU HD2 . 11296 1 514 . 1 1 46 46 LEU HD22 H 1 0.563 0.030 . 1 . . . . 46 LEU HD2 . 11296 1 515 . 1 1 46 46 LEU HD23 H 1 0.563 0.030 . 1 . . . . 46 LEU HD2 . 11296 1 516 . 1 1 46 46 LEU HG H 1 1.312 0.030 . 1 . . . . 46 LEU HG . 11296 1 517 . 1 1 46 46 LEU C C 13 174.208 0.300 . 1 . . . . 46 LEU C . 11296 1 518 . 1 1 46 46 LEU CA C 13 53.157 0.300 . 1 . . . . 46 LEU CA . 11296 1 519 . 1 1 46 46 LEU CB C 13 43.850 0.300 . 1 . . . . 46 LEU CB . 11296 1 520 . 1 1 46 46 LEU CD1 C 13 25.822 0.300 . 2 . . . . 46 LEU CD1 . 11296 1 521 . 1 1 46 46 LEU CD2 C 13 23.506 0.300 . 2 . . . . 46 LEU CD2 . 11296 1 522 . 1 1 46 46 LEU CG C 13 26.283 0.300 . 1 . . . . 46 LEU CG . 11296 1 523 . 1 1 46 46 LEU N N 15 128.273 0.300 . 1 . . . . 46 LEU N . 11296 1 524 . 1 1 47 47 HIS H H 1 8.182 0.030 . 1 . . . . 47 HIS H . 11296 1 525 . 1 1 47 47 HIS HA H 1 4.978 0.030 . 1 . . . . 47 HIS HA . 11296 1 526 . 1 1 47 47 HIS HB2 H 1 3.258 0.030 . 2 . . . . 47 HIS HB2 . 11296 1 527 . 1 1 47 47 HIS HB3 H 1 2.995 0.030 . 2 . . . . 47 HIS HB3 . 11296 1 528 . 1 1 47 47 HIS HD2 H 1 7.081 0.030 . 1 . . . . 47 HIS HD2 . 11296 1 529 . 1 1 47 47 HIS C C 13 172.277 0.300 . 1 . . . . 47 HIS C . 11296 1 530 . 1 1 47 47 HIS CA C 13 52.992 0.300 . 1 . . . . 47 HIS CA . 11296 1 531 . 1 1 47 47 HIS CB C 13 30.207 0.300 . 1 . . . . 47 HIS CB . 11296 1 532 . 1 1 47 47 HIS CD2 C 13 121.484 0.300 . 1 . . . . 47 HIS CD2 . 11296 1 533 . 1 1 47 47 HIS N N 15 116.390 0.300 . 1 . . . . 47 HIS N . 11296 1 534 . 1 1 48 48 PRO HA H 1 4.429 0.030 . 1 . . . . 48 PRO HA . 11296 1 535 . 1 1 48 48 PRO HB2 H 1 2.320 0.030 . 2 . . . . 48 PRO HB2 . 11296 1 536 . 1 1 48 48 PRO HB3 H 1 2.019 0.030 . 2 . . . . 48 PRO HB3 . 11296 1 537 . 1 1 48 48 PRO HD2 H 1 3.840 0.030 . 2 . . . . 48 PRO HD2 . 11296 1 538 . 1 1 48 48 PRO HD3 H 1 3.781 0.030 . 2 . . . . 48 PRO HD3 . 11296 1 539 . 1 1 48 48 PRO HG2 H 1 2.146 0.030 . 2 . . . . 48 PRO HG2 . 11296 1 540 . 1 1 48 48 PRO HG3 H 1 1.955 0.030 . 2 . . . . 48 PRO HG3 . 11296 1 541 . 1 1 48 48 PRO C C 13 176.624 0.300 . 1 . . . . 48 PRO C . 11296 1 542 . 1 1 48 48 PRO CA C 13 62.754 0.300 . 1 . . . . 48 PRO CA . 11296 1 543 . 1 1 48 48 PRO CB C 13 32.345 0.300 . 1 . . . . 48 PRO CB . 11296 1 544 . 1 1 48 48 PRO CD C 13 50.786 0.300 . 1 . . . . 48 PRO CD . 11296 1 545 . 1 1 48 48 PRO CG C 13 27.795 0.300 . 1 . . . . 48 PRO CG . 11296 1 546 . 1 1 49 49 ALA H H 1 8.582 0.030 . 1 . . . . 49 ALA H . 11296 1 547 . 1 1 49 49 ALA HA H 1 4.383 0.030 . 1 . . . . 49 ALA HA . 11296 1 548 . 1 1 49 49 ALA HB1 H 1 1.458 0.030 . 1 . . . . 49 ALA HB . 11296 1 549 . 1 1 49 49 ALA HB2 H 1 1.458 0.030 . 1 . . . . 49 ALA HB . 11296 1 550 . 1 1 49 49 ALA HB3 H 1 1.458 0.030 . 1 . . . . 49 ALA HB . 11296 1 551 . 1 1 49 49 ALA C C 13 177.874 0.300 . 1 . . . . 49 ALA C . 11296 1 552 . 1 1 49 49 ALA CA C 13 53.085 0.300 . 1 . . . . 49 ALA CA . 11296 1 553 . 1 1 49 49 ALA CB C 13 18.904 0.300 . 1 . . . . 49 ALA CB . 11296 1 554 . 1 1 49 49 ALA N N 15 125.040 0.300 . 1 . . . . 49 ALA N . 11296 1 555 . 1 1 50 50 THR H H 1 7.959 0.030 . 1 . . . . 50 THR H . 11296 1 556 . 1 1 50 50 THR HA H 1 4.415 0.030 . 1 . . . . 50 THR HA . 11296 1 557 . 1 1 50 50 THR HB H 1 4.311 0.030 . 1 . . . . 50 THR HB . 11296 1 558 . 1 1 50 50 THR HG21 H 1 1.215 0.030 . 1 . . . . 50 THR HG2 . 11296 1 559 . 1 1 50 50 THR HG22 H 1 1.215 0.030 . 1 . . . . 50 THR HG2 . 11296 1 560 . 1 1 50 50 THR HG23 H 1 1.215 0.030 . 1 . . . . 50 THR HG2 . 11296 1 561 . 1 1 50 50 THR C C 13 174.038 0.300 . 1 . . . . 50 THR C . 11296 1 562 . 1 1 50 50 THR CA C 13 61.021 0.300 . 1 . . . . 50 THR CA . 11296 1 563 . 1 1 50 50 THR CB C 13 70.199 0.300 . 1 . . . . 50 THR CB . 11296 1 564 . 1 1 50 50 THR CG2 C 13 21.722 0.300 . 1 . . . . 50 THR CG2 . 11296 1 565 . 1 1 50 50 THR N N 15 111.581 0.300 . 1 . . . . 50 THR N . 11296 1 566 . 1 1 51 51 ALA H H 1 8.317 0.030 . 1 . . . . 51 ALA H . 11296 1 567 . 1 1 51 51 ALA HA H 1 4.406 0.030 . 1 . . . . 51 ALA HA . 11296 1 568 . 1 1 51 51 ALA HB1 H 1 1.412 0.030 . 1 . . . . 51 ALA HB . 11296 1 569 . 1 1 51 51 ALA HB2 H 1 1.412 0.030 . 1 . . . . 51 ALA HB . 11296 1 570 . 1 1 51 51 ALA HB3 H 1 1.412 0.030 . 1 . . . . 51 ALA HB . 11296 1 571 . 1 1 51 51 ALA C C 13 177.704 0.300 . 1 . . . . 51 ALA C . 11296 1 572 . 1 1 51 51 ALA CA C 13 52.482 0.300 . 1 . . . . 51 ALA CA . 11296 1 573 . 1 1 51 51 ALA CB C 13 19.737 0.300 . 1 . . . . 51 ALA CB . 11296 1 574 . 1 1 51 51 ALA N N 15 125.721 0.300 . 1 . . . . 51 ALA N . 11296 1 575 . 1 1 52 52 GLU H H 1 8.489 0.030 . 1 . . . . 52 GLU H . 11296 1 576 . 1 1 52 52 GLU HA H 1 4.218 0.030 . 1 . . . . 52 GLU HA . 11296 1 577 . 1 1 52 52 GLU HB2 H 1 2.063 0.030 . 2 . . . . 52 GLU HB2 . 11296 1 578 . 1 1 52 52 GLU HB3 H 1 1.923 0.030 . 2 . . . . 52 GLU HB3 . 11296 1 579 . 1 1 52 52 GLU HG2 H 1 2.258 0.030 . 1 . . . . 52 GLU HG2 . 11296 1 580 . 1 1 52 52 GLU HG3 H 1 2.258 0.030 . 1 . . . . 52 GLU HG3 . 11296 1 581 . 1 1 52 52 GLU C C 13 176.369 0.300 . 1 . . . . 52 GLU C . 11296 1 582 . 1 1 52 52 GLU CA C 13 57.143 0.300 . 1 . . . . 52 GLU CA . 11296 1 583 . 1 1 52 52 GLU CB C 13 30.059 0.300 . 1 . . . . 52 GLU CB . 11296 1 584 . 1 1 52 52 GLU CG C 13 36.332 0.300 . 1 . . . . 52 GLU CG . 11296 1 585 . 1 1 52 52 GLU N N 15 119.755 0.300 . 1 . . . . 52 GLU N . 11296 1 586 . 1 1 53 53 ASP H H 1 8.263 0.030 . 1 . . . . 53 ASP H . 11296 1 587 . 1 1 53 53 ASP HA H 1 4.513 0.030 . 1 . . . . 53 ASP HA . 11296 1 588 . 1 1 53 53 ASP HB2 H 1 2.708 0.030 . 1 . . . . 53 ASP HB2 . 11296 1 589 . 1 1 53 53 ASP HB3 H 1 2.708 0.030 . 1 . . . . 53 ASP HB3 . 11296 1 590 . 1 1 53 53 ASP C C 13 176.369 0.300 . 1 . . . . 53 ASP C . 11296 1 591 . 1 1 53 53 ASP CA C 13 54.275 0.300 . 1 . . . . 53 ASP CA . 11296 1 592 . 1 1 53 53 ASP CB C 13 41.056 0.300 . 1 . . . . 53 ASP CB . 11296 1 593 . 1 1 53 53 ASP N N 15 119.357 0.300 . 1 . . . . 53 ASP N . 11296 1 594 . 1 1 54 54 GLN H H 1 8.238 0.030 . 1 . . . . 54 GLN H . 11296 1 595 . 1 1 54 54 GLN HA H 1 4.286 0.030 . 1 . . . . 54 GLN HA . 11296 1 596 . 1 1 54 54 GLN HB2 H 1 2.151 0.030 . 2 . . . . 54 GLN HB2 . 11296 1 597 . 1 1 54 54 GLN HB3 H 1 2.021 0.030 . 2 . . . . 54 GLN HB3 . 11296 1 598 . 1 1 54 54 GLN HE21 H 1 7.552 0.030 . 2 . . . . 54 GLN HE21 . 11296 1 599 . 1 1 54 54 GLN HE22 H 1 6.849 0.030 . 2 . . . . 54 GLN HE22 . 11296 1 600 . 1 1 54 54 GLN HG2 H 1 2.359 0.030 . 1 . . . . 54 GLN HG2 . 11296 1 601 . 1 1 54 54 GLN HG3 H 1 2.359 0.030 . 1 . . . . 54 GLN HG3 . 11296 1 602 . 1 1 54 54 GLN C C 13 176.102 0.300 . 1 . . . . 54 GLN C . 11296 1 603 . 1 1 54 54 GLN CA C 13 56.515 0.300 . 1 . . . . 54 GLN CA . 11296 1 604 . 1 1 54 54 GLN CB C 13 29.317 0.300 . 1 . . . . 54 GLN CB . 11296 1 605 . 1 1 54 54 GLN CG C 13 33.835 0.300 . 1 . . . . 54 GLN CG . 11296 1 606 . 1 1 54 54 GLN N N 15 119.579 0.300 . 1 . . . . 54 GLN N . 11296 1 607 . 1 1 54 54 GLN NE2 N 15 112.734 0.300 . 1 . . . . 54 GLN NE2 . 11296 1 608 . 1 1 55 55 ASP H H 1 8.383 0.030 . 1 . . . . 55 ASP H . 11296 1 609 . 1 1 55 55 ASP HA H 1 4.643 0.030 . 1 . . . . 55 ASP HA . 11296 1 610 . 1 1 55 55 ASP HB2 H 1 2.784 0.030 . 2 . . . . 55 ASP HB2 . 11296 1 611 . 1 1 55 55 ASP HB3 H 1 2.691 0.030 . 2 . . . . 55 ASP HB3 . 11296 1 612 . 1 1 55 55 ASP C C 13 176.781 0.300 . 1 . . . . 55 ASP C . 11296 1 613 . 1 1 55 55 ASP CA C 13 54.970 0.300 . 1 . . . . 55 ASP CA . 11296 1 614 . 1 1 55 55 ASP CB C 13 41.217 0.300 . 1 . . . . 55 ASP CB . 11296 1 615 . 1 1 55 55 ASP N N 15 120.453 0.300 . 1 . . . . 55 ASP N . 11296 1 616 . 1 1 56 56 SER H H 1 8.163 0.030 . 1 . . . . 56 SER H . 11296 1 617 . 1 1 56 56 SER HA H 1 4.385 0.030 . 1 . . . . 56 SER HA . 11296 1 618 . 1 1 56 56 SER HB2 H 1 3.906 0.030 . 1 . . . . 56 SER HB2 . 11296 1 619 . 1 1 56 56 SER HB3 H 1 3.906 0.030 . 1 . . . . 56 SER HB3 . 11296 1 620 . 1 1 56 56 SER C C 13 174.718 0.300 . 1 . . . . 56 SER C . 11296 1 621 . 1 1 56 56 SER CA C 13 59.154 0.300 . 1 . . . . 56 SER CA . 11296 1 622 . 1 1 56 56 SER CB C 13 63.763 0.300 . 1 . . . . 56 SER CB . 11296 1 623 . 1 1 56 56 SER N N 15 116.030 0.300 . 1 . . . . 56 SER N . 11296 1 624 . 1 1 57 57 GLN H H 1 8.312 0.030 . 1 . . . . 57 GLN H . 11296 1 625 . 1 1 57 57 GLN HA H 1 4.316 0.030 . 1 . . . . 57 GLN HA . 11296 1 626 . 1 1 57 57 GLN HB2 H 1 2.072 0.030 . 2 . . . . 57 GLN HB2 . 11296 1 627 . 1 1 57 57 GLN HB3 H 1 1.959 0.030 . 2 . . . . 57 GLN HB3 . 11296 1 628 . 1 1 57 57 GLN HE21 H 1 7.510 0.030 . 2 . . . . 57 GLN HE21 . 11296 1 629 . 1 1 57 57 GLN HE22 H 1 6.820 0.030 . 2 . . . . 57 GLN HE22 . 11296 1 630 . 1 1 57 57 GLN HG2 H 1 2.242 0.030 . 1 . . . . 57 GLN HG2 . 11296 1 631 . 1 1 57 57 GLN HG3 H 1 2.242 0.030 . 1 . . . . 57 GLN HG3 . 11296 1 632 . 1 1 57 57 GLN C C 13 175.494 0.300 . 1 . . . . 57 GLN C . 11296 1 633 . 1 1 57 57 GLN CA C 13 55.832 0.300 . 1 . . . . 57 GLN CA . 11296 1 634 . 1 1 57 57 GLN CB C 13 29.076 0.300 . 1 . . . . 57 GLN CB . 11296 1 635 . 1 1 57 57 GLN CG C 13 33.808 0.300 . 1 . . . . 57 GLN CG . 11296 1 636 . 1 1 57 57 GLN N N 15 120.637 0.300 . 1 . . . . 57 GLN N . 11296 1 637 . 1 1 57 57 GLN NE2 N 15 112.641 0.300 . 1 . . . . 57 GLN NE2 . 11296 1 638 . 1 1 58 58 TYR H H 1 8.060 0.030 . 1 . . . . 58 TYR H . 11296 1 639 . 1 1 58 58 TYR HA H 1 4.455 0.030 . 1 . . . . 58 TYR HA . 11296 1 640 . 1 1 58 58 TYR HB2 H 1 3.026 0.030 . 1 . . . . 58 TYR HB2 . 11296 1 641 . 1 1 58 58 TYR HB3 H 1 3.026 0.030 . 1 . . . . 58 TYR HB3 . 11296 1 642 . 1 1 58 58 TYR HD1 H 1 7.084 0.030 . 1 . . . . 58 TYR HD1 . 11296 1 643 . 1 1 58 58 TYR HD2 H 1 7.084 0.030 . 1 . . . . 58 TYR HD2 . 11296 1 644 . 1 1 58 58 TYR HE1 H 1 6.788 0.030 . 1 . . . . 58 TYR HE1 . 11296 1 645 . 1 1 58 58 TYR HE2 H 1 6.788 0.030 . 1 . . . . 58 TYR HE2 . 11296 1 646 . 1 1 58 58 TYR C C 13 174.887 0.300 . 1 . . . . 58 TYR C . 11296 1 647 . 1 1 58 58 TYR CA C 13 58.920 0.300 . 1 . . . . 58 TYR CA . 11296 1 648 . 1 1 58 58 TYR CB C 13 38.993 0.300 . 1 . . . . 58 TYR CB . 11296 1 649 . 1 1 58 58 TYR CD1 C 13 133.064 0.300 . 1 . . . . 58 TYR CD1 . 11296 1 650 . 1 1 58 58 TYR CD2 C 13 133.064 0.300 . 1 . . . . 58 TYR CD2 . 11296 1 651 . 1 1 58 58 TYR CE1 C 13 118.177 0.300 . 1 . . . . 58 TYR CE1 . 11296 1 652 . 1 1 58 58 TYR CE2 C 13 118.177 0.300 . 1 . . . . 58 TYR CE2 . 11296 1 653 . 1 1 58 58 TYR N N 15 121.961 0.300 . 1 . . . . 58 TYR N . 11296 1 654 . 1 1 59 59 VAL H H 1 7.503 0.030 . 1 . . . . 59 VAL H . 11296 1 655 . 1 1 59 59 VAL HA H 1 4.599 0.030 . 1 . . . . 59 VAL HA . 11296 1 656 . 1 1 59 59 VAL HB H 1 1.937 0.030 . 1 . . . . 59 VAL HB . 11296 1 657 . 1 1 59 59 VAL HG11 H 1 0.999 0.030 . 1 . . . . 59 VAL HG1 . 11296 1 658 . 1 1 59 59 VAL HG12 H 1 0.999 0.030 . 1 . . . . 59 VAL HG1 . 11296 1 659 . 1 1 59 59 VAL HG13 H 1 0.999 0.030 . 1 . . . . 59 VAL HG1 . 11296 1 660 . 1 1 59 59 VAL HG21 H 1 1.050 0.030 . 1 . . . . 59 VAL HG2 . 11296 1 661 . 1 1 59 59 VAL HG22 H 1 1.050 0.030 . 1 . . . . 59 VAL HG2 . 11296 1 662 . 1 1 59 59 VAL HG23 H 1 1.050 0.030 . 1 . . . . 59 VAL HG2 . 11296 1 663 . 1 1 59 59 VAL C C 13 175.203 0.300 . 1 . . . . 59 VAL C . 11296 1 664 . 1 1 59 59 VAL CA C 13 60.791 0.300 . 1 . . . . 59 VAL CA . 11296 1 665 . 1 1 59 59 VAL CB C 13 33.833 0.300 . 1 . . . . 59 VAL CB . 11296 1 666 . 1 1 59 59 VAL CG1 C 13 21.518 0.300 . 2 . . . . 59 VAL CG1 . 11296 1 667 . 1 1 59 59 VAL CG2 C 13 21.249 0.300 . 2 . . . . 59 VAL CG2 . 11296 1 668 . 1 1 59 59 VAL N N 15 122.147 0.300 . 1 . . . . 59 VAL N . 11296 1 669 . 1 1 60 60 CYS H H 1 8.669 0.030 . 1 . . . . 60 CYS H . 11296 1 670 . 1 1 60 60 CYS HA H 1 5.164 0.030 . 1 . . . . 60 CYS HA . 11296 1 671 . 1 1 60 60 CYS HB2 H 1 2.835 0.030 . 2 . . . . 60 CYS HB2 . 11296 1 672 . 1 1 60 60 CYS HB3 H 1 2.664 0.030 . 2 . . . . 60 CYS HB3 . 11296 1 673 . 1 1 60 60 CYS C C 13 172.338 0.300 . 1 . . . . 60 CYS C . 11296 1 674 . 1 1 60 60 CYS CA C 13 56.718 0.300 . 1 . . . . 60 CYS CA . 11296 1 675 . 1 1 60 60 CYS CB C 13 30.388 0.300 . 1 . . . . 60 CYS CB . 11296 1 676 . 1 1 60 60 CYS N N 15 117.779 0.300 . 1 . . . . 60 CYS N . 11296 1 677 . 1 1 61 61 PHE H H 1 8.006 0.030 . 1 . . . . 61 PHE H . 11296 1 678 . 1 1 61 61 PHE HA H 1 4.813 0.030 . 1 . . . . 61 PHE HA . 11296 1 679 . 1 1 61 61 PHE HB2 H 1 3.357 0.030 . 2 . . . . 61 PHE HB2 . 11296 1 680 . 1 1 61 61 PHE HB3 H 1 2.728 0.030 . 2 . . . . 61 PHE HB3 . 11296 1 681 . 1 1 61 61 PHE HD1 H 1 6.891 0.030 . 1 . . . . 61 PHE HD1 . 11296 1 682 . 1 1 61 61 PHE HD2 H 1 6.891 0.030 . 1 . . . . 61 PHE HD2 . 11296 1 683 . 1 1 61 61 PHE HE1 H 1 7.040 0.030 . 1 . . . . 61 PHE HE1 . 11296 1 684 . 1 1 61 61 PHE HE2 H 1 7.040 0.030 . 1 . . . . 61 PHE HE2 . 11296 1 685 . 1 1 61 61 PHE HZ H 1 6.958 0.030 . 1 . . . . 61 PHE HZ . 11296 1 686 . 1 1 61 61 PHE C C 13 171.816 0.300 . 1 . . . . 61 PHE C . 11296 1 687 . 1 1 61 61 PHE CA C 13 57.899 0.300 . 1 . . . . 61 PHE CA . 11296 1 688 . 1 1 61 61 PHE CB C 13 40.401 0.300 . 1 . . . . 61 PHE CB . 11296 1 689 . 1 1 61 61 PHE CD1 C 13 132.474 0.300 . 1 . . . . 61 PHE CD1 . 11296 1 690 . 1 1 61 61 PHE CD2 C 13 132.474 0.300 . 1 . . . . 61 PHE CD2 . 11296 1 691 . 1 1 61 61 PHE CE1 C 13 130.454 0.300 . 1 . . . . 61 PHE CE1 . 11296 1 692 . 1 1 61 61 PHE CE2 C 13 130.454 0.300 . 1 . . . . 61 PHE CE2 . 11296 1 693 . 1 1 61 61 PHE CZ C 13 129.253 0.300 . 1 . . . . 61 PHE CZ . 11296 1 694 . 1 1 61 61 PHE N N 15 111.361 0.300 . 1 . . . . 61 PHE N . 11296 1 695 . 1 1 62 62 THR H H 1 8.605 0.030 . 1 . . . . 62 THR H . 11296 1 696 . 1 1 62 62 THR HA H 1 4.862 0.030 . 1 . . . . 62 THR HA . 11296 1 697 . 1 1 62 62 THR HB H 1 4.027 0.030 . 1 . . . . 62 THR HB . 11296 1 698 . 1 1 62 62 THR HG21 H 1 1.092 0.030 . 1 . . . . 62 THR HG2 . 11296 1 699 . 1 1 62 62 THR HG22 H 1 1.092 0.030 . 1 . . . . 62 THR HG2 . 11296 1 700 . 1 1 62 62 THR HG23 H 1 1.092 0.030 . 1 . . . . 62 THR HG2 . 11296 1 701 . 1 1 62 62 THR C C 13 172.411 0.300 . 1 . . . . 62 THR C . 11296 1 702 . 1 1 62 62 THR CA C 13 62.245 0.300 . 1 . . . . 62 THR CA . 11296 1 703 . 1 1 62 62 THR CB C 13 69.558 0.300 . 1 . . . . 62 THR CB . 11296 1 704 . 1 1 62 62 THR CG2 C 13 21.018 0.300 . 1 . . . . 62 THR CG2 . 11296 1 705 . 1 1 62 62 THR N N 15 117.287 0.300 . 1 . . . . 62 THR N . 11296 1 706 . 1 1 63 63 LEU H H 1 9.180 0.030 . 1 . . . . 63 LEU H . 11296 1 707 . 1 1 63 63 LEU HA H 1 4.620 0.030 . 1 . . . . 63 LEU HA . 11296 1 708 . 1 1 63 63 LEU HB2 H 1 2.050 0.030 . 2 . . . . 63 LEU HB2 . 11296 1 709 . 1 1 63 63 LEU HB3 H 1 1.291 0.030 . 2 . . . . 63 LEU HB3 . 11296 1 710 . 1 1 63 63 LEU HD11 H 1 0.912 0.030 . 1 . . . . 63 LEU HD1 . 11296 1 711 . 1 1 63 63 LEU HD12 H 1 0.912 0.030 . 1 . . . . 63 LEU HD1 . 11296 1 712 . 1 1 63 63 LEU HD13 H 1 0.912 0.030 . 1 . . . . 63 LEU HD1 . 11296 1 713 . 1 1 63 63 LEU HD21 H 1 0.760 0.030 . 1 . . . . 63 LEU HD2 . 11296 1 714 . 1 1 63 63 LEU HD22 H 1 0.760 0.030 . 1 . . . . 63 LEU HD2 . 11296 1 715 . 1 1 63 63 LEU HD23 H 1 0.760 0.030 . 1 . . . . 63 LEU HD2 . 11296 1 716 . 1 1 63 63 LEU HG H 1 1.426 0.030 . 1 . . . . 63 LEU HG . 11296 1 717 . 1 1 63 63 LEU C C 13 173.552 0.300 . 1 . . . . 63 LEU C . 11296 1 718 . 1 1 63 63 LEU CA C 13 54.229 0.300 . 1 . . . . 63 LEU CA . 11296 1 719 . 1 1 63 63 LEU CB C 13 43.445 0.300 . 1 . . . . 63 LEU CB . 11296 1 720 . 1 1 63 63 LEU CD1 C 13 24.019 0.300 . 2 . . . . 63 LEU CD1 . 11296 1 721 . 1 1 63 63 LEU CD2 C 13 27.064 0.300 . 2 . . . . 63 LEU CD2 . 11296 1 722 . 1 1 63 63 LEU CG C 13 27.290 0.300 . 1 . . . . 63 LEU CG . 11296 1 723 . 1 1 63 63 LEU N N 15 133.227 0.300 . 1 . . . . 63 LEU N . 11296 1 724 . 1 1 64 64 VAL H H 1 8.740 0.030 . 1 . . . . 64 VAL H . 11296 1 725 . 1 1 64 64 VAL HA H 1 4.625 0.030 . 1 . . . . 64 VAL HA . 11296 1 726 . 1 1 64 64 VAL HB H 1 2.033 0.030 . 1 . . . . 64 VAL HB . 11296 1 727 . 1 1 64 64 VAL HG11 H 1 0.531 0.030 . 1 . . . . 64 VAL HG1 . 11296 1 728 . 1 1 64 64 VAL HG12 H 1 0.531 0.030 . 1 . . . . 64 VAL HG1 . 11296 1 729 . 1 1 64 64 VAL HG13 H 1 0.531 0.030 . 1 . . . . 64 VAL HG1 . 11296 1 730 . 1 1 64 64 VAL HG21 H 1 0.613 0.030 . 1 . . . . 64 VAL HG2 . 11296 1 731 . 1 1 64 64 VAL HG22 H 1 0.613 0.030 . 1 . . . . 64 VAL HG2 . 11296 1 732 . 1 1 64 64 VAL HG23 H 1 0.613 0.030 . 1 . . . . 64 VAL HG2 . 11296 1 733 . 1 1 64 64 VAL C C 13 175.009 0.300 . 1 . . . . 64 VAL C . 11296 1 734 . 1 1 64 64 VAL CA C 13 61.200 0.300 . 1 . . . . 64 VAL CA . 11296 1 735 . 1 1 64 64 VAL CB C 13 32.093 0.300 . 1 . . . . 64 VAL CB . 11296 1 736 . 1 1 64 64 VAL CG1 C 13 20.472 0.300 . 2 . . . . 64 VAL CG1 . 11296 1 737 . 1 1 64 64 VAL CG2 C 13 20.493 0.300 . 2 . . . . 64 VAL CG2 . 11296 1 738 . 1 1 64 64 VAL N N 15 126.574 0.300 . 1 . . . . 64 VAL N . 11296 1 739 . 1 1 65 65 LEU H H 1 9.269 0.030 . 1 . . . . 65 LEU H . 11296 1 740 . 1 1 65 65 LEU HA H 1 5.081 0.030 . 1 . . . . 65 LEU HA . 11296 1 741 . 1 1 65 65 LEU HB2 H 1 1.891 0.030 . 2 . . . . 65 LEU HB2 . 11296 1 742 . 1 1 65 65 LEU HB3 H 1 0.848 0.030 . 2 . . . . 65 LEU HB3 . 11296 1 743 . 1 1 65 65 LEU HD11 H 1 0.739 0.030 . 1 . . . . 65 LEU HD1 . 11296 1 744 . 1 1 65 65 LEU HD12 H 1 0.739 0.030 . 1 . . . . 65 LEU HD1 . 11296 1 745 . 1 1 65 65 LEU HD13 H 1 0.739 0.030 . 1 . . . . 65 LEU HD1 . 11296 1 746 . 1 1 65 65 LEU HD21 H 1 0.789 0.030 . 1 . . . . 65 LEU HD2 . 11296 1 747 . 1 1 65 65 LEU HD22 H 1 0.789 0.030 . 1 . . . . 65 LEU HD2 . 11296 1 748 . 1 1 65 65 LEU HD23 H 1 0.789 0.030 . 1 . . . . 65 LEU HD2 . 11296 1 749 . 1 1 65 65 LEU HG H 1 1.507 0.030 . 1 . . . . 65 LEU HG . 11296 1 750 . 1 1 65 65 LEU C C 13 175.240 0.300 . 1 . . . . 65 LEU C . 11296 1 751 . 1 1 65 65 LEU CA C 13 52.237 0.300 . 1 . . . . 65 LEU CA . 11296 1 752 . 1 1 65 65 LEU CB C 13 43.703 0.300 . 1 . . . . 65 LEU CB . 11296 1 753 . 1 1 65 65 LEU CD1 C 13 26.032 0.300 . 2 . . . . 65 LEU CD1 . 11296 1 754 . 1 1 65 65 LEU CD2 C 13 26.041 0.300 . 2 . . . . 65 LEU CD2 . 11296 1 755 . 1 1 65 65 LEU CG C 13 26.786 0.300 . 1 . . . . 65 LEU CG . 11296 1 756 . 1 1 65 65 LEU N N 15 125.855 0.300 . 1 . . . . 65 LEU N . 11296 1 757 . 1 1 66 66 GLN H H 1 8.861 0.030 . 1 . . . . 66 GLN H . 11296 1 758 . 1 1 66 66 GLN HA H 1 5.118 0.030 . 1 . . . . 66 GLN HA . 11296 1 759 . 1 1 66 66 GLN HB2 H 1 2.078 0.030 . 2 . . . . 66 GLN HB2 . 11296 1 760 . 1 1 66 66 GLN HB3 H 1 2.037 0.030 . 2 . . . . 66 GLN HB3 . 11296 1 761 . 1 1 66 66 GLN HE21 H 1 7.603 0.030 . 2 . . . . 66 GLN HE21 . 11296 1 762 . 1 1 66 66 GLN HE22 H 1 6.784 0.030 . 2 . . . . 66 GLN HE22 . 11296 1 763 . 1 1 66 66 GLN HG2 H 1 2.227 0.030 . 2 . . . . 66 GLN HG2 . 11296 1 764 . 1 1 66 66 GLN HG3 H 1 2.121 0.030 . 2 . . . . 66 GLN HG3 . 11296 1 765 . 1 1 66 66 GLN C C 13 175.494 0.300 . 1 . . . . 66 GLN C . 11296 1 766 . 1 1 66 66 GLN CA C 13 54.734 0.300 . 1 . . . . 66 GLN CA . 11296 1 767 . 1 1 66 66 GLN CB C 13 29.893 0.300 . 1 . . . . 66 GLN CB . 11296 1 768 . 1 1 66 66 GLN CG C 13 34.590 0.300 . 1 . . . . 66 GLN CG . 11296 1 769 . 1 1 66 66 GLN N N 15 123.701 0.300 . 1 . . . . 66 GLN N . 11296 1 770 . 1 1 66 66 GLN NE2 N 15 111.679 0.300 . 1 . . . . 66 GLN NE2 . 11296 1 771 . 1 1 67 67 VAL H H 1 9.552 0.030 . 1 . . . . 67 VAL H . 11296 1 772 . 1 1 67 67 VAL HA H 1 4.186 0.030 . 1 . . . . 67 VAL HA . 11296 1 773 . 1 1 67 67 VAL HB H 1 1.902 0.030 . 1 . . . . 67 VAL HB . 11296 1 774 . 1 1 67 67 VAL HG11 H 1 0.469 0.030 . 1 . . . . 67 VAL HG1 . 11296 1 775 . 1 1 67 67 VAL HG12 H 1 0.469 0.030 . 1 . . . . 67 VAL HG1 . 11296 1 776 . 1 1 67 67 VAL HG13 H 1 0.469 0.030 . 1 . . . . 67 VAL HG1 . 11296 1 777 . 1 1 67 67 VAL HG21 H 1 0.536 0.030 . 1 . . . . 67 VAL HG2 . 11296 1 778 . 1 1 67 67 VAL HG22 H 1 0.536 0.030 . 1 . . . . 67 VAL HG2 . 11296 1 779 . 1 1 67 67 VAL HG23 H 1 0.536 0.030 . 1 . . . . 67 VAL HG2 . 11296 1 780 . 1 1 67 67 VAL C C 13 172.957 0.300 . 1 . . . . 67 VAL C . 11296 1 781 . 1 1 67 67 VAL CA C 13 60.567 0.300 . 1 . . . . 67 VAL CA . 11296 1 782 . 1 1 67 67 VAL CB C 13 33.066 0.300 . 1 . . . . 67 VAL CB . 11296 1 783 . 1 1 67 67 VAL CG1 C 13 23.404 0.300 . 2 . . . . 67 VAL CG1 . 11296 1 784 . 1 1 67 67 VAL CG2 C 13 21.006 0.300 . 2 . . . . 67 VAL CG2 . 11296 1 785 . 1 1 67 67 VAL N N 15 129.838 0.300 . 1 . . . . 67 VAL N . 11296 1 786 . 1 1 68 68 PRO HA H 1 4.680 0.030 . 1 . . . . 68 PRO HA . 11296 1 787 . 1 1 68 68 PRO HB2 H 1 2.424 0.030 . 1 . . . . 68 PRO HB2 . 11296 1 788 . 1 1 68 68 PRO HB3 H 1 2.424 0.030 . 1 . . . . 68 PRO HB3 . 11296 1 789 . 1 1 68 68 PRO HD2 H 1 4.214 0.030 . 2 . . . . 68 PRO HD2 . 11296 1 790 . 1 1 68 68 PRO HD3 H 1 3.662 0.030 . 2 . . . . 68 PRO HD3 . 11296 1 791 . 1 1 68 68 PRO HG2 H 1 2.134 0.030 . 2 . . . . 68 PRO HG2 . 11296 1 792 . 1 1 68 68 PRO HG3 H 1 1.848 0.030 . 2 . . . . 68 PRO HG3 . 11296 1 793 . 1 1 68 68 PRO C C 13 176.527 0.300 . 1 . . . . 68 PRO C . 11296 1 794 . 1 1 68 68 PRO CA C 13 62.292 0.300 . 1 . . . . 68 PRO CA . 11296 1 795 . 1 1 68 68 PRO CB C 13 32.596 0.300 . 1 . . . . 68 PRO CB . 11296 1 796 . 1 1 68 68 PRO CD C 13 51.687 0.300 . 1 . . . . 68 PRO CD . 11296 1 797 . 1 1 68 68 PRO CG C 13 26.806 0.300 . 1 . . . . 68 PRO CG . 11296 1 798 . 1 1 69 69 ALA H H 1 8.746 0.030 . 1 . . . . 69 ALA H . 11296 1 799 . 1 1 69 69 ALA HA H 1 4.051 0.030 . 1 . . . . 69 ALA HA . 11296 1 800 . 1 1 69 69 ALA HB1 H 1 1.232 0.030 . 1 . . . . 69 ALA HB . 11296 1 801 . 1 1 69 69 ALA HB2 H 1 1.232 0.030 . 1 . . . . 69 ALA HB . 11296 1 802 . 1 1 69 69 ALA HB3 H 1 1.232 0.030 . 1 . . . . 69 ALA HB . 11296 1 803 . 1 1 69 69 ALA C C 13 178.724 0.300 . 1 . . . . 69 ALA C . 11296 1 804 . 1 1 69 69 ALA CA C 13 54.762 0.300 . 1 . . . . 69 ALA CA . 11296 1 805 . 1 1 69 69 ALA CB C 13 18.578 0.300 . 1 . . . . 69 ALA CB . 11296 1 806 . 1 1 69 69 ALA N N 15 121.598 0.300 . 1 . . . . 69 ALA N . 11296 1 807 . 1 1 70 70 GLU H H 1 8.254 0.030 . 1 . . . . 70 GLU H . 11296 1 808 . 1 1 70 70 GLU HA H 1 4.219 0.030 . 1 . . . . 70 GLU HA . 11296 1 809 . 1 1 70 70 GLU HB2 H 1 2.248 0.030 . 2 . . . . 70 GLU HB2 . 11296 1 810 . 1 1 70 70 GLU HB3 H 1 1.858 0.030 . 2 . . . . 70 GLU HB3 . 11296 1 811 . 1 1 70 70 GLU HG2 H 1 2.470 0.030 . 2 . . . . 70 GLU HG2 . 11296 1 812 . 1 1 70 70 GLU HG3 H 1 2.245 0.030 . 2 . . . . 70 GLU HG3 . 11296 1 813 . 1 1 70 70 GLU C C 13 177.255 0.300 . 1 . . . . 70 GLU C . 11296 1 814 . 1 1 70 70 GLU CA C 13 57.492 0.300 . 1 . . . . 70 GLU CA . 11296 1 815 . 1 1 70 70 GLU CB C 13 29.564 0.300 . 1 . . . . 70 GLU CB . 11296 1 816 . 1 1 70 70 GLU CG C 13 37.352 0.300 . 1 . . . . 70 GLU CG . 11296 1 817 . 1 1 70 70 GLU N N 15 111.309 0.300 . 1 . . . . 70 GLU N . 11296 1 818 . 1 1 71 71 TYR H H 1 8.067 0.030 . 1 . . . . 71 TYR H . 11296 1 819 . 1 1 71 71 TYR HA H 1 4.745 0.030 . 1 . . . . 71 TYR HA . 11296 1 820 . 1 1 71 71 TYR HB2 H 1 3.201 0.030 . 2 . . . . 71 TYR HB2 . 11296 1 821 . 1 1 71 71 TYR HB3 H 1 3.132 0.030 . 2 . . . . 71 TYR HB3 . 11296 1 822 . 1 1 71 71 TYR HD1 H 1 7.276 0.030 . 3 . . . . 71 TYR HD1 . 11296 1 823 . 1 1 71 71 TYR HD2 H 1 6.548 0.030 . 3 . . . . 71 TYR HD2 . 11296 1 824 . 1 1 71 71 TYR HE1 H 1 6.840 0.030 . 3 . . . . 71 TYR HE1 . 11296 1 825 . 1 1 71 71 TYR HE2 H 1 6.802 0.030 . 3 . . . . 71 TYR HE2 . 11296 1 826 . 1 1 71 71 TYR C C 13 174.657 0.300 . 1 . . . . 71 TYR C . 11296 1 827 . 1 1 71 71 TYR CA C 13 57.593 0.300 . 1 . . . . 71 TYR CA . 11296 1 828 . 1 1 71 71 TYR CB C 13 41.357 0.300 . 1 . . . . 71 TYR CB . 11296 1 829 . 1 1 71 71 TYR CD1 C 13 132.777 0.300 . 3 . . . . 71 TYR CD1 . 11296 1 830 . 1 1 71 71 TYR CD2 C 13 133.177 0.300 . 3 . . . . 71 TYR CD2 . 11296 1 831 . 1 1 71 71 TYR CE1 C 13 118.394 0.300 . 3 . . . . 71 TYR CE1 . 11296 1 832 . 1 1 71 71 TYR CE2 C 13 119.516 0.300 . 3 . . . . 71 TYR CE2 . 11296 1 833 . 1 1 71 71 TYR N N 15 122.918 0.300 . 1 . . . . 71 TYR N . 11296 1 834 . 1 1 72 72 PRO HA H 1 3.790 0.030 . 1 . . . . 72 PRO HA . 11296 1 835 . 1 1 72 72 PRO HB2 H 1 1.715 0.030 . 2 . . . . 72 PRO HB2 . 11296 1 836 . 1 1 72 72 PRO HB3 H 1 0.494 0.030 . 2 . . . . 72 PRO HB3 . 11296 1 837 . 1 1 72 72 PRO HD2 H 1 3.269 0.030 . 2 . . . . 72 PRO HD2 . 11296 1 838 . 1 1 72 72 PRO HD3 H 1 3.242 0.030 . 2 . . . . 72 PRO HD3 . 11296 1 839 . 1 1 72 72 PRO HG2 H 1 1.347 0.030 . 2 . . . . 72 PRO HG2 . 11296 1 840 . 1 1 72 72 PRO HG3 H 1 0.480 0.030 . 2 . . . . 72 PRO HG3 . 11296 1 841 . 1 1 72 72 PRO C C 13 174.293 0.300 . 1 . . . . 72 PRO C . 11296 1 842 . 1 1 72 72 PRO CA C 13 63.811 0.300 . 1 . . . . 72 PRO CA . 11296 1 843 . 1 1 72 72 PRO CB C 13 31.969 0.300 . 1 . . . . 72 PRO CB . 11296 1 844 . 1 1 72 72 PRO CD C 13 49.462 0.300 . 1 . . . . 72 PRO CD . 11296 1 845 . 1 1 72 72 PRO CG C 13 23.754 0.300 . 1 . . . . 72 PRO CG . 11296 1 846 . 1 1 73 73 HIS H H 1 8.823 0.030 . 1 . . . . 73 HIS H . 11296 1 847 . 1 1 73 73 HIS HA H 1 4.476 0.030 . 1 . . . . 73 HIS HA . 11296 1 848 . 1 1 73 73 HIS HB2 H 1 3.359 0.030 . 2 . . . . 73 HIS HB2 . 11296 1 849 . 1 1 73 73 HIS HB3 H 1 3.118 0.030 . 2 . . . . 73 HIS HB3 . 11296 1 850 . 1 1 73 73 HIS HD2 H 1 7.100 0.030 . 1 . . . . 73 HIS HD2 . 11296 1 851 . 1 1 73 73 HIS C C 13 173.710 0.300 . 1 . . . . 73 HIS C . 11296 1 852 . 1 1 73 73 HIS CA C 13 57.314 0.300 . 1 . . . . 73 HIS CA . 11296 1 853 . 1 1 73 73 HIS CB C 13 29.852 0.300 . 1 . . . . 73 HIS CB . 11296 1 854 . 1 1 73 73 HIS CD2 C 13 119.470 0.300 . 1 . . . . 73 HIS CD2 . 11296 1 855 . 1 1 73 73 HIS N N 15 125.308 0.300 . 1 . . . . 73 HIS N . 11296 1 856 . 1 1 74 74 GLU H H 1 7.091 0.030 . 1 . . . . 74 GLU H . 11296 1 857 . 1 1 74 74 GLU HA H 1 4.486 0.030 . 1 . . . . 74 GLU HA . 11296 1 858 . 1 1 74 74 GLU HB2 H 1 1.803 0.030 . 2 . . . . 74 GLU HB2 . 11296 1 859 . 1 1 74 74 GLU HB3 H 1 1.681 0.030 . 2 . . . . 74 GLU HB3 . 11296 1 860 . 1 1 74 74 GLU HG2 H 1 2.427 0.030 . 2 . . . . 74 GLU HG2 . 11296 1 861 . 1 1 74 74 GLU HG3 H 1 2.345 0.030 . 2 . . . . 74 GLU HG3 . 11296 1 862 . 1 1 74 74 GLU C C 13 174.572 0.300 . 1 . . . . 74 GLU C . 11296 1 863 . 1 1 74 74 GLU CA C 13 54.522 0.300 . 1 . . . . 74 GLU CA . 11296 1 864 . 1 1 74 74 GLU CB C 13 33.850 0.300 . 1 . . . . 74 GLU CB . 11296 1 865 . 1 1 74 74 GLU CG C 13 36.145 0.300 . 1 . . . . 74 GLU CG . 11296 1 866 . 1 1 74 74 GLU N N 15 118.691 0.300 . 1 . . . . 74 GLU N . 11296 1 867 . 1 1 75 75 VAL H H 1 8.264 0.030 . 1 . . . . 75 VAL H . 11296 1 868 . 1 1 75 75 VAL HA H 1 4.371 0.030 . 1 . . . . 75 VAL HA . 11296 1 869 . 1 1 75 75 VAL HB H 1 2.243 0.030 . 1 . . . . 75 VAL HB . 11296 1 870 . 1 1 75 75 VAL HG11 H 1 1.015 0.030 . 1 . . . . 75 VAL HG1 . 11296 1 871 . 1 1 75 75 VAL HG12 H 1 1.015 0.030 . 1 . . . . 75 VAL HG1 . 11296 1 872 . 1 1 75 75 VAL HG13 H 1 1.015 0.030 . 1 . . . . 75 VAL HG1 . 11296 1 873 . 1 1 75 75 VAL HG21 H 1 0.951 0.030 . 1 . . . . 75 VAL HG2 . 11296 1 874 . 1 1 75 75 VAL HG22 H 1 0.951 0.030 . 1 . . . . 75 VAL HG2 . 11296 1 875 . 1 1 75 75 VAL HG23 H 1 0.951 0.030 . 1 . . . . 75 VAL HG2 . 11296 1 876 . 1 1 75 75 VAL C C 13 173.613 0.300 . 1 . . . . 75 VAL C . 11296 1 877 . 1 1 75 75 VAL CA C 13 60.213 0.300 . 1 . . . . 75 VAL CA . 11296 1 878 . 1 1 75 75 VAL CB C 13 31.066 0.300 . 1 . . . . 75 VAL CB . 11296 1 879 . 1 1 75 75 VAL CG1 C 13 22.760 0.300 . 2 . . . . 75 VAL CG1 . 11296 1 880 . 1 1 75 75 VAL CG2 C 13 17.974 0.300 . 2 . . . . 75 VAL CG2 . 11296 1 881 . 1 1 75 75 VAL N N 15 114.699 0.300 . 1 . . . . 75 VAL N . 11296 1 882 . 1 1 76 76 PRO HA H 1 4.862 0.030 . 1 . . . . 76 PRO HA . 11296 1 883 . 1 1 76 76 PRO HB2 H 1 1.909 0.030 . 2 . . . . 76 PRO HB2 . 11296 1 884 . 1 1 76 76 PRO HB3 H 1 1.565 0.030 . 2 . . . . 76 PRO HB3 . 11296 1 885 . 1 1 76 76 PRO HD2 H 1 4.165 0.030 . 2 . . . . 76 PRO HD2 . 11296 1 886 . 1 1 76 76 PRO HD3 H 1 3.665 0.030 . 2 . . . . 76 PRO HD3 . 11296 1 887 . 1 1 76 76 PRO HG2 H 1 1.870 0.030 . 2 . . . . 76 PRO HG2 . 11296 1 888 . 1 1 76 76 PRO HG3 H 1 1.810 0.030 . 2 . . . . 76 PRO HG3 . 11296 1 889 . 1 1 76 76 PRO C C 13 175.507 0.300 . 1 . . . . 76 PRO C . 11296 1 890 . 1 1 76 76 PRO CA C 13 62.065 0.300 . 1 . . . . 76 PRO CA . 11296 1 891 . 1 1 76 76 PRO CB C 13 32.052 0.300 . 1 . . . . 76 PRO CB . 11296 1 892 . 1 1 76 76 PRO CD C 13 51.199 0.300 . 1 . . . . 76 PRO CD . 11296 1 893 . 1 1 76 76 PRO CG C 13 27.793 0.300 . 1 . . . . 76 PRO CG . 11296 1 894 . 1 1 77 77 GLN H H 1 8.793 0.030 . 1 . . . . 77 GLN H . 11296 1 895 . 1 1 77 77 GLN HA H 1 4.449 0.030 . 1 . . . . 77 GLN HA . 11296 1 896 . 1 1 77 77 GLN HB2 H 1 2.177 0.030 . 2 . . . . 77 GLN HB2 . 11296 1 897 . 1 1 77 77 GLN HB3 H 1 2.074 0.030 . 2 . . . . 77 GLN HB3 . 11296 1 898 . 1 1 77 77 GLN HE21 H 1 7.645 0.030 . 2 . . . . 77 GLN HE21 . 11296 1 899 . 1 1 77 77 GLN HE22 H 1 6.809 0.030 . 2 . . . . 77 GLN HE22 . 11296 1 900 . 1 1 77 77 GLN HG2 H 1 2.457 0.030 . 2 . . . . 77 GLN HG2 . 11296 1 901 . 1 1 77 77 GLN HG3 H 1 2.434 0.030 . 2 . . . . 77 GLN HG3 . 11296 1 902 . 1 1 77 77 GLN C C 13 176.296 0.300 . 1 . . . . 77 GLN C . 11296 1 903 . 1 1 77 77 GLN CA C 13 55.625 0.300 . 1 . . . . 77 GLN CA . 11296 1 904 . 1 1 77 77 GLN CB C 13 29.427 0.300 . 1 . . . . 77 GLN CB . 11296 1 905 . 1 1 77 77 GLN CG C 13 33.875 0.300 . 1 . . . . 77 GLN CG . 11296 1 906 . 1 1 77 77 GLN N N 15 120.231 0.300 . 1 . . . . 77 GLN N . 11296 1 907 . 1 1 77 77 GLN NE2 N 15 112.809 0.300 . 1 . . . . 77 GLN NE2 . 11296 1 908 . 1 1 78 78 ILE H H 1 8.574 0.030 . 1 . . . . 78 ILE H . 11296 1 909 . 1 1 78 78 ILE HA H 1 4.753 0.030 . 1 . . . . 78 ILE HA . 11296 1 910 . 1 1 78 78 ILE HB H 1 1.617 0.030 . 1 . . . . 78 ILE HB . 11296 1 911 . 1 1 78 78 ILE HD11 H 1 0.748 0.030 . 1 . . . . 78 ILE HD1 . 11296 1 912 . 1 1 78 78 ILE HD12 H 1 0.748 0.030 . 1 . . . . 78 ILE HD1 . 11296 1 913 . 1 1 78 78 ILE HD13 H 1 0.748 0.030 . 1 . . . . 78 ILE HD1 . 11296 1 914 . 1 1 78 78 ILE HG12 H 1 1.613 0.030 . 1 . . . . 78 ILE HG12 . 11296 1 915 . 1 1 78 78 ILE HG13 H 1 1.613 0.030 . 1 . . . . 78 ILE HG13 . 11296 1 916 . 1 1 78 78 ILE HG21 H 1 0.756 0.030 . 1 . . . . 78 ILE HG2 . 11296 1 917 . 1 1 78 78 ILE HG22 H 1 0.756 0.030 . 1 . . . . 78 ILE HG2 . 11296 1 918 . 1 1 78 78 ILE HG23 H 1 0.756 0.030 . 1 . . . . 78 ILE HG2 . 11296 1 919 . 1 1 78 78 ILE C C 13 174.875 0.300 . 1 . . . . 78 ILE C . 11296 1 920 . 1 1 78 78 ILE CA C 13 61.253 0.300 . 1 . . . . 78 ILE CA . 11296 1 921 . 1 1 78 78 ILE CB C 13 39.945 0.300 . 1 . . . . 78 ILE CB . 11296 1 922 . 1 1 78 78 ILE CD1 C 13 14.564 0.300 . 1 . . . . 78 ILE CD1 . 11296 1 923 . 1 1 78 78 ILE CG1 C 13 27.310 0.300 . 1 . . . . 78 ILE CG1 . 11296 1 924 . 1 1 78 78 ILE CG2 C 13 18.229 0.300 . 1 . . . . 78 ILE CG2 . 11296 1 925 . 1 1 78 78 ILE N N 15 128.104 0.300 . 1 . . . . 78 ILE N . 11296 1 926 . 1 1 79 79 SER H H 1 9.223 0.030 . 1 . . . . 79 SER H . 11296 1 927 . 1 1 79 79 SER HA H 1 4.681 0.030 . 1 . . . . 79 SER HA . 11296 1 928 . 1 1 79 79 SER HB2 H 1 3.843 0.030 . 2 . . . . 79 SER HB2 . 11296 1 929 . 1 1 79 79 SER HB3 H 1 3.772 0.030 . 2 . . . . 79 SER HB3 . 11296 1 930 . 1 1 79 79 SER C C 13 171.221 0.300 . 1 . . . . 79 SER C . 11296 1 931 . 1 1 79 79 SER CA C 13 57.412 0.300 . 1 . . . . 79 SER CA . 11296 1 932 . 1 1 79 79 SER CB C 13 65.597 0.300 . 1 . . . . 79 SER CB . 11296 1 933 . 1 1 79 79 SER N N 15 121.534 0.300 . 1 . . . . 79 SER N . 11296 1 934 . 1 1 80 80 ILE H H 1 8.515 0.030 . 1 . . . . 80 ILE H . 11296 1 935 . 1 1 80 80 ILE HA H 1 5.038 0.030 . 1 . . . . 80 ILE HA . 11296 1 936 . 1 1 80 80 ILE HB H 1 1.582 0.030 . 1 . . . . 80 ILE HB . 11296 1 937 . 1 1 80 80 ILE HD11 H 1 0.372 0.030 . 1 . . . . 80 ILE HD1 . 11296 1 938 . 1 1 80 80 ILE HD12 H 1 0.372 0.030 . 1 . . . . 80 ILE HD1 . 11296 1 939 . 1 1 80 80 ILE HD13 H 1 0.372 0.030 . 1 . . . . 80 ILE HD1 . 11296 1 940 . 1 1 80 80 ILE HG12 H 1 1.038 0.030 . 2 . . . . 80 ILE HG12 . 11296 1 941 . 1 1 80 80 ILE HG13 H 1 1.388 0.030 . 2 . . . . 80 ILE HG13 . 11296 1 942 . 1 1 80 80 ILE HG21 H 1 0.687 0.030 . 1 . . . . 80 ILE HG2 . 11296 1 943 . 1 1 80 80 ILE HG22 H 1 0.687 0.030 . 1 . . . . 80 ILE HG2 . 11296 1 944 . 1 1 80 80 ILE HG23 H 1 0.687 0.030 . 1 . . . . 80 ILE HG2 . 11296 1 945 . 1 1 80 80 ILE C C 13 175.374 0.300 . 1 . . . . 80 ILE C . 11296 1 946 . 1 1 80 80 ILE CA C 13 59.580 0.300 . 1 . . . . 80 ILE CA . 11296 1 947 . 1 1 80 80 ILE CB C 13 40.653 0.300 . 1 . . . . 80 ILE CB . 11296 1 948 . 1 1 80 80 ILE CD1 C 13 13.695 0.300 . 1 . . . . 80 ILE CD1 . 11296 1 949 . 1 1 80 80 ILE CG1 C 13 28.086 0.300 . 1 . . . . 80 ILE CG1 . 11296 1 950 . 1 1 80 80 ILE CG2 C 13 17.744 0.300 . 1 . . . . 80 ILE CG2 . 11296 1 951 . 1 1 80 80 ILE N N 15 119.128 0.300 . 1 . . . . 80 ILE N . 11296 1 952 . 1 1 81 81 ARG H H 1 9.419 0.030 . 1 . . . . 81 ARG H . 11296 1 953 . 1 1 81 81 ARG HA H 1 4.813 0.030 . 1 . . . . 81 ARG HA . 11296 1 954 . 1 1 81 81 ARG HB2 H 1 1.711 0.030 . 2 . . . . 81 ARG HB2 . 11296 1 955 . 1 1 81 81 ARG HB3 H 1 1.551 0.030 . 2 . . . . 81 ARG HB3 . 11296 1 956 . 1 1 81 81 ARG HD2 H 1 3.154 0.030 . 2 . . . . 81 ARG HD2 . 11296 1 957 . 1 1 81 81 ARG HD3 H 1 2.911 0.030 . 2 . . . . 81 ARG HD3 . 11296 1 958 . 1 1 81 81 ARG HG2 H 1 1.542 0.030 . 1 . . . . 81 ARG HG2 . 11296 1 959 . 1 1 81 81 ARG HG3 H 1 1.542 0.030 . 1 . . . . 81 ARG HG3 . 11296 1 960 . 1 1 81 81 ARG C C 13 173.977 0.300 . 1 . . . . 81 ARG C . 11296 1 961 . 1 1 81 81 ARG CA C 13 53.714 0.300 . 1 . . . . 81 ARG CA . 11296 1 962 . 1 1 81 81 ARG CB C 13 34.590 0.300 . 1 . . . . 81 ARG CB . 11296 1 963 . 1 1 81 81 ARG CD C 13 43.776 0.300 . 1 . . . . 81 ARG CD . 11296 1 964 . 1 1 81 81 ARG CG C 13 27.284 0.300 . 1 . . . . 81 ARG CG . 11296 1 965 . 1 1 81 81 ARG N N 15 125.896 0.300 . 1 . . . . 81 ARG N . 11296 1 966 . 1 1 82 82 ASN H H 1 9.358 0.030 . 1 . . . . 82 ASN H . 11296 1 967 . 1 1 82 82 ASN HA H 1 4.511 0.030 . 1 . . . . 82 ASN HA . 11296 1 968 . 1 1 82 82 ASN HB2 H 1 2.928 0.030 . 2 . . . . 82 ASN HB2 . 11296 1 969 . 1 1 82 82 ASN HB3 H 1 2.710 0.030 . 2 . . . . 82 ASN HB3 . 11296 1 970 . 1 1 82 82 ASN HD21 H 1 7.705 0.030 . 2 . . . . 82 ASN HD21 . 11296 1 971 . 1 1 82 82 ASN HD22 H 1 6.922 0.030 . 2 . . . . 82 ASN HD22 . 11296 1 972 . 1 1 82 82 ASN CA C 13 53.927 0.300 . 1 . . . . 82 ASN CA . 11296 1 973 . 1 1 82 82 ASN CB C 13 38.490 0.300 . 1 . . . . 82 ASN CB . 11296 1 974 . 1 1 82 82 ASN N N 15 117.680 0.300 . 1 . . . . 82 ASN N . 11296 1 975 . 1 1 82 82 ASN ND2 N 15 113.138 0.300 . 1 . . . . 82 ASN ND2 . 11296 1 976 . 1 1 83 83 PRO HA H 1 4.989 0.030 . 1 . . . . 83 PRO HA . 11296 1 977 . 1 1 83 83 PRO HB2 H 1 2.250 0.030 . 2 . . . . 83 PRO HB2 . 11296 1 978 . 1 1 83 83 PRO HB3 H 1 1.747 0.030 . 2 . . . . 83 PRO HB3 . 11296 1 979 . 1 1 83 83 PRO HD2 H 1 3.828 0.030 . 2 . . . . 83 PRO HD2 . 11296 1 980 . 1 1 83 83 PRO HD3 H 1 3.270 0.030 . 2 . . . . 83 PRO HD3 . 11296 1 981 . 1 1 83 83 PRO HG2 H 1 2.274 0.030 . 2 . . . . 83 PRO HG2 . 11296 1 982 . 1 1 83 83 PRO HG3 H 1 2.034 0.030 . 2 . . . . 83 PRO HG3 . 11296 1 983 . 1 1 83 83 PRO C C 13 176.599 0.300 . 1 . . . . 83 PRO C . 11296 1 984 . 1 1 83 83 PRO CA C 13 63.554 0.300 . 1 . . . . 83 PRO CA . 11296 1 985 . 1 1 83 83 PRO CB C 13 32.497 0.300 . 1 . . . . 83 PRO CB . 11296 1 986 . 1 1 83 83 PRO CD C 13 50.973 0.300 . 1 . . . . 83 PRO CD . 11296 1 987 . 1 1 83 83 PRO CG C 13 27.517 0.300 . 1 . . . . 83 PRO CG . 11296 1 988 . 1 1 84 84 ARG H H 1 9.190 0.030 . 1 . . . . 84 ARG H . 11296 1 989 . 1 1 84 84 ARG HA H 1 4.633 0.030 . 1 . . . . 84 ARG HA . 11296 1 990 . 1 1 84 84 ARG HB2 H 1 1.959 0.030 . 2 . . . . 84 ARG HB2 . 11296 1 991 . 1 1 84 84 ARG HB3 H 1 1.873 0.030 . 2 . . . . 84 ARG HB3 . 11296 1 992 . 1 1 84 84 ARG HD2 H 1 3.164 0.030 . 1 . . . . 84 ARG HD2 . 11296 1 993 . 1 1 84 84 ARG HD3 H 1 3.164 0.030 . 1 . . . . 84 ARG HD3 . 11296 1 994 . 1 1 84 84 ARG HG2 H 1 1.644 0.030 . 2 . . . . 84 ARG HG2 . 11296 1 995 . 1 1 84 84 ARG HG3 H 1 1.510 0.030 . 2 . . . . 84 ARG HG3 . 11296 1 996 . 1 1 84 84 ARG C C 13 175.628 0.300 . 1 . . . . 84 ARG C . 11296 1 997 . 1 1 84 84 ARG CA C 13 55.996 0.300 . 1 . . . . 84 ARG CA . 11296 1 998 . 1 1 84 84 ARG CB C 13 33.129 0.300 . 1 . . . . 84 ARG CB . 11296 1 999 . 1 1 84 84 ARG CD C 13 43.780 0.300 . 1 . . . . 84 ARG CD . 11296 1 1000 . 1 1 84 84 ARG CG C 13 26.901 0.300 . 1 . . . . 84 ARG CG . 11296 1 1001 . 1 1 84 84 ARG N N 15 122.823 0.300 . 1 . . . . 84 ARG N . 11296 1 1002 . 1 1 85 85 GLY H H 1 8.664 0.030 . 1 . . . . 85 GLY H . 11296 1 1003 . 1 1 85 85 GLY HA2 H 1 4.249 0.030 . 2 . . . . 85 GLY HA2 . 11296 1 1004 . 1 1 85 85 GLY HA3 H 1 3.768 0.030 . 2 . . . . 85 GLY HA3 . 11296 1 1005 . 1 1 85 85 GLY C C 13 173.345 0.300 . 1 . . . . 85 GLY C . 11296 1 1006 . 1 1 85 85 GLY CA C 13 46.170 0.300 . 1 . . . . 85 GLY CA . 11296 1 1007 . 1 1 85 85 GLY N N 15 109.664 0.300 . 1 . . . . 85 GLY N . 11296 1 1008 . 1 1 86 86 LEU H H 1 7.514 0.030 . 1 . . . . 86 LEU H . 11296 1 1009 . 1 1 86 86 LEU HA H 1 5.011 0.030 . 1 . . . . 86 LEU HA . 11296 1 1010 . 1 1 86 86 LEU HB2 H 1 1.469 0.030 . 2 . . . . 86 LEU HB2 . 11296 1 1011 . 1 1 86 86 LEU HB3 H 1 1.331 0.030 . 2 . . . . 86 LEU HB3 . 11296 1 1012 . 1 1 86 86 LEU HD11 H 1 0.679 0.030 . 1 . . . . 86 LEU HD1 . 11296 1 1013 . 1 1 86 86 LEU HD12 H 1 0.679 0.030 . 1 . . . . 86 LEU HD1 . 11296 1 1014 . 1 1 86 86 LEU HD13 H 1 0.679 0.030 . 1 . . . . 86 LEU HD1 . 11296 1 1015 . 1 1 86 86 LEU HD21 H 1 0.705 0.030 . 1 . . . . 86 LEU HD2 . 11296 1 1016 . 1 1 86 86 LEU HD22 H 1 0.705 0.030 . 1 . . . . 86 LEU HD2 . 11296 1 1017 . 1 1 86 86 LEU HD23 H 1 0.705 0.030 . 1 . . . . 86 LEU HD2 . 11296 1 1018 . 1 1 86 86 LEU HG H 1 1.670 0.030 . 1 . . . . 86 LEU HG . 11296 1 1019 . 1 1 86 86 LEU C C 13 176.806 0.300 . 1 . . . . 86 LEU C . 11296 1 1020 . 1 1 86 86 LEU CA C 13 52.837 0.300 . 1 . . . . 86 LEU CA . 11296 1 1021 . 1 1 86 86 LEU CB C 13 45.790 0.300 . 1 . . . . 86 LEU CB . 11296 1 1022 . 1 1 86 86 LEU CD1 C 13 26.916 0.300 . 2 . . . . 86 LEU CD1 . 11296 1 1023 . 1 1 86 86 LEU CD2 C 13 24.413 0.300 . 2 . . . . 86 LEU CD2 . 11296 1 1024 . 1 1 86 86 LEU CG C 13 26.544 0.300 . 1 . . . . 86 LEU CG . 11296 1 1025 . 1 1 86 86 LEU N N 15 117.805 0.300 . 1 . . . . 86 LEU N . 11296 1 1026 . 1 1 87 87 SER H H 1 9.428 0.030 . 1 . . . . 87 SER H . 11296 1 1027 . 1 1 87 87 SER HA H 1 4.578 0.030 . 1 . . . . 87 SER HA . 11296 1 1028 . 1 1 87 87 SER HB2 H 1 4.454 0.030 . 2 . . . . 87 SER HB2 . 11296 1 1029 . 1 1 87 87 SER HB3 H 1 4.033 0.030 . 2 . . . . 87 SER HB3 . 11296 1 1030 . 1 1 87 87 SER C C 13 174.669 0.300 . 1 . . . . 87 SER C . 11296 1 1031 . 1 1 87 87 SER CA C 13 56.569 0.300 . 1 . . . . 87 SER CA . 11296 1 1032 . 1 1 87 87 SER CB C 13 65.703 0.300 . 1 . . . . 87 SER CB . 11296 1 1033 . 1 1 87 87 SER N N 15 120.639 0.300 . 1 . . . . 87 SER N . 11296 1 1034 . 1 1 88 88 ASP H H 1 9.026 0.030 . 1 . . . . 88 ASP H . 11296 1 1035 . 1 1 88 88 ASP HA H 1 4.316 0.030 . 1 . . . . 88 ASP HA . 11296 1 1036 . 1 1 88 88 ASP HB2 H 1 2.623 0.030 . 1 . . . . 88 ASP HB2 . 11296 1 1037 . 1 1 88 88 ASP HB3 H 1 2.623 0.030 . 1 . . . . 88 ASP HB3 . 11296 1 1038 . 1 1 88 88 ASP C C 13 178.930 0.300 . 1 . . . . 88 ASP C . 11296 1 1039 . 1 1 88 88 ASP CA C 13 57.939 0.300 . 1 . . . . 88 ASP CA . 11296 1 1040 . 1 1 88 88 ASP CB C 13 39.948 0.300 . 1 . . . . 88 ASP CB . 11296 1 1041 . 1 1 88 88 ASP N N 15 121.387 0.300 . 1 . . . . 88 ASP N . 11296 1 1042 . 1 1 89 89 GLU H H 1 8.640 0.030 . 1 . . . . 89 GLU H . 11296 1 1043 . 1 1 89 89 GLU HA H 1 4.104 0.030 . 1 . . . . 89 GLU HA . 11296 1 1044 . 1 1 89 89 GLU HB2 H 1 2.071 0.030 . 2 . . . . 89 GLU HB2 . 11296 1 1045 . 1 1 89 89 GLU HB3 H 1 1.960 0.030 . 2 . . . . 89 GLU HB3 . 11296 1 1046 . 1 1 89 89 GLU HG2 H 1 2.323 0.030 . 1 . . . . 89 GLU HG2 . 11296 1 1047 . 1 1 89 89 GLU HG3 H 1 2.323 0.030 . 1 . . . . 89 GLU HG3 . 11296 1 1048 . 1 1 89 89 GLU C C 13 179.307 0.300 . 1 . . . . 89 GLU C . 11296 1 1049 . 1 1 89 89 GLU CA C 13 59.967 0.300 . 1 . . . . 89 GLU CA . 11296 1 1050 . 1 1 89 89 GLU CB C 13 29.279 0.300 . 1 . . . . 89 GLU CB . 11296 1 1051 . 1 1 89 89 GLU CG C 13 36.624 0.300 . 1 . . . . 89 GLU CG . 11296 1 1052 . 1 1 89 89 GLU N N 15 120.081 0.300 . 1 . . . . 89 GLU N . 11296 1 1053 . 1 1 90 90 GLN H H 1 7.930 0.030 . 1 . . . . 90 GLN H . 11296 1 1054 . 1 1 90 90 GLN HA H 1 4.041 0.030 . 1 . . . . 90 GLN HA . 11296 1 1055 . 1 1 90 90 GLN HB2 H 1 2.429 0.030 . 2 . . . . 90 GLN HB2 . 11296 1 1056 . 1 1 90 90 GLN HB3 H 1 1.824 0.030 . 2 . . . . 90 GLN HB3 . 11296 1 1057 . 1 1 90 90 GLN HE21 H 1 7.624 0.030 . 2 . . . . 90 GLN HE21 . 11296 1 1058 . 1 1 90 90 GLN HE22 H 1 7.052 0.030 . 2 . . . . 90 GLN HE22 . 11296 1 1059 . 1 1 90 90 GLN HG2 H 1 2.450 0.030 . 2 . . . . 90 GLN HG2 . 11296 1 1060 . 1 1 90 90 GLN HG3 H 1 2.402 0.030 . 2 . . . . 90 GLN HG3 . 11296 1 1061 . 1 1 90 90 GLN C C 13 178.724 0.300 . 1 . . . . 90 GLN C . 11296 1 1062 . 1 1 90 90 GLN CA C 13 59.280 0.300 . 1 . . . . 90 GLN CA . 11296 1 1063 . 1 1 90 90 GLN CB C 13 29.803 0.300 . 1 . . . . 90 GLN CB . 11296 1 1064 . 1 1 90 90 GLN CG C 13 35.374 0.300 . 1 . . . . 90 GLN CG . 11296 1 1065 . 1 1 90 90 GLN N N 15 120.837 0.300 . 1 . . . . 90 GLN N . 11296 1 1066 . 1 1 90 90 GLN NE2 N 15 112.338 0.300 . 1 . . . . 90 GLN NE2 . 11296 1 1067 . 1 1 91 91 ILE H H 1 8.119 0.030 . 1 . . . . 91 ILE H . 11296 1 1068 . 1 1 91 91 ILE HA H 1 3.278 0.030 . 1 . . . . 91 ILE HA . 11296 1 1069 . 1 1 91 91 ILE HB H 1 1.899 0.030 . 1 . . . . 91 ILE HB . 11296 1 1070 . 1 1 91 91 ILE HD11 H 1 0.744 0.030 . 1 . . . . 91 ILE HD1 . 11296 1 1071 . 1 1 91 91 ILE HD12 H 1 0.744 0.030 . 1 . . . . 91 ILE HD1 . 11296 1 1072 . 1 1 91 91 ILE HD13 H 1 0.744 0.030 . 1 . . . . 91 ILE HD1 . 11296 1 1073 . 1 1 91 91 ILE HG12 H 1 1.663 0.030 . 2 . . . . 91 ILE HG12 . 11296 1 1074 . 1 1 91 91 ILE HG13 H 1 0.687 0.030 . 2 . . . . 91 ILE HG13 . 11296 1 1075 . 1 1 91 91 ILE HG21 H 1 0.790 0.030 . 1 . . . . 91 ILE HG2 . 11296 1 1076 . 1 1 91 91 ILE HG22 H 1 0.790 0.030 . 1 . . . . 91 ILE HG2 . 11296 1 1077 . 1 1 91 91 ILE HG23 H 1 0.790 0.030 . 1 . . . . 91 ILE HG2 . 11296 1 1078 . 1 1 91 91 ILE C C 13 176.781 0.300 . 1 . . . . 91 ILE C . 11296 1 1079 . 1 1 91 91 ILE CA C 13 65.785 0.300 . 1 . . . . 91 ILE CA . 11296 1 1080 . 1 1 91 91 ILE CB C 13 37.873 0.300 . 1 . . . . 91 ILE CB . 11296 1 1081 . 1 1 91 91 ILE CD1 C 13 13.438 0.300 . 1 . . . . 91 ILE CD1 . 11296 1 1082 . 1 1 91 91 ILE CG1 C 13 30.321 0.300 . 1 . . . . 91 ILE CG1 . 11296 1 1083 . 1 1 91 91 ILE CG2 C 13 16.983 0.300 . 1 . . . . 91 ILE CG2 . 11296 1 1084 . 1 1 91 91 ILE N N 15 120.140 0.300 . 1 . . . . 91 ILE N . 11296 1 1085 . 1 1 92 92 HIS H H 1 8.052 0.030 . 1 . . . . 92 HIS H . 11296 1 1086 . 1 1 92 92 HIS HA H 1 4.200 0.030 . 1 . . . . 92 HIS HA . 11296 1 1087 . 1 1 92 92 HIS HB2 H 1 3.266 0.030 . 2 . . . . 92 HIS HB2 . 11296 1 1088 . 1 1 92 92 HIS HB3 H 1 3.198 0.030 . 2 . . . . 92 HIS HB3 . 11296 1 1089 . 1 1 92 92 HIS HD2 H 1 7.037 0.030 . 1 . . . . 92 HIS HD2 . 11296 1 1090 . 1 1 92 92 HIS C C 13 178.141 0.300 . 1 . . . . 92 HIS C . 11296 1 1091 . 1 1 92 92 HIS CA C 13 60.151 0.300 . 1 . . . . 92 HIS CA . 11296 1 1092 . 1 1 92 92 HIS CB C 13 29.817 0.300 . 1 . . . . 92 HIS CB . 11296 1 1093 . 1 1 92 92 HIS CD2 C 13 120.191 0.300 . 1 . . . . 92 HIS CD2 . 11296 1 1094 . 1 1 92 92 HIS N N 15 117.661 0.300 . 1 . . . . 92 HIS N . 11296 1 1095 . 1 1 93 93 THR H H 1 8.244 0.030 . 1 . . . . 93 THR H . 11296 1 1096 . 1 1 93 93 THR HA H 1 3.862 0.030 . 1 . . . . 93 THR HA . 11296 1 1097 . 1 1 93 93 THR HB H 1 4.327 0.030 . 1 . . . . 93 THR HB . 11296 1 1098 . 1 1 93 93 THR HG21 H 1 1.209 0.030 . 1 . . . . 93 THR HG2 . 11296 1 1099 . 1 1 93 93 THR HG22 H 1 1.209 0.030 . 1 . . . . 93 THR HG2 . 11296 1 1100 . 1 1 93 93 THR HG23 H 1 1.209 0.030 . 1 . . . . 93 THR HG2 . 11296 1 1101 . 1 1 93 93 THR C C 13 175.579 0.300 . 1 . . . . 93 THR C . 11296 1 1102 . 1 1 93 93 THR CA C 13 67.285 0.300 . 1 . . . . 93 THR CA . 11296 1 1103 . 1 1 93 93 THR CB C 13 68.698 0.300 . 1 . . . . 93 THR CB . 11296 1 1104 . 1 1 93 93 THR CG2 C 13 21.745 0.300 . 1 . . . . 93 THR CG2 . 11296 1 1105 . 1 1 93 93 THR N N 15 117.018 0.300 . 1 . . . . 93 THR N . 11296 1 1106 . 1 1 94 94 ILE H H 1 8.159 0.030 . 1 . . . . 94 ILE H . 11296 1 1107 . 1 1 94 94 ILE HA H 1 3.434 0.030 . 1 . . . . 94 ILE HA . 11296 1 1108 . 1 1 94 94 ILE HB H 1 1.661 0.030 . 1 . . . . 94 ILE HB . 11296 1 1109 . 1 1 94 94 ILE HD11 H 1 0.361 0.030 . 1 . . . . 94 ILE HD1 . 11296 1 1110 . 1 1 94 94 ILE HD12 H 1 0.361 0.030 . 1 . . . . 94 ILE HD1 . 11296 1 1111 . 1 1 94 94 ILE HD13 H 1 0.361 0.030 . 1 . . . . 94 ILE HD1 . 11296 1 1112 . 1 1 94 94 ILE HG12 H 1 1.822 0.030 . 2 . . . . 94 ILE HG12 . 11296 1 1113 . 1 1 94 94 ILE HG13 H 1 0.757 0.030 . 2 . . . . 94 ILE HG13 . 11296 1 1114 . 1 1 94 94 ILE HG21 H 1 0.561 0.030 . 1 . . . . 94 ILE HG2 . 11296 1 1115 . 1 1 94 94 ILE HG22 H 1 0.561 0.030 . 1 . . . . 94 ILE HG2 . 11296 1 1116 . 1 1 94 94 ILE HG23 H 1 0.561 0.030 . 1 . . . . 94 ILE HG2 . 11296 1 1117 . 1 1 94 94 ILE C C 13 177.389 0.300 . 1 . . . . 94 ILE C . 11296 1 1118 . 1 1 94 94 ILE CA C 13 66.335 0.300 . 1 . . . . 94 ILE CA . 11296 1 1119 . 1 1 94 94 ILE CB C 13 37.889 0.300 . 1 . . . . 94 ILE CB . 11296 1 1120 . 1 1 94 94 ILE CD1 C 13 13.951 0.300 . 1 . . . . 94 ILE CD1 . 11296 1 1121 . 1 1 94 94 ILE CG1 C 13 29.801 0.300 . 1 . . . . 94 ILE CG1 . 11296 1 1122 . 1 1 94 94 ILE CG2 C 13 17.879 0.300 . 1 . . . . 94 ILE CG2 . 11296 1 1123 . 1 1 94 94 ILE N N 15 121.677 0.300 . 1 . . . . 94 ILE N . 11296 1 1124 . 1 1 95 95 LEU H H 1 7.921 0.030 . 1 . . . . 95 LEU H . 11296 1 1125 . 1 1 95 95 LEU HA H 1 3.776 0.030 . 1 . . . . 95 LEU HA . 11296 1 1126 . 1 1 95 95 LEU HB2 H 1 1.876 0.030 . 2 . . . . 95 LEU HB2 . 11296 1 1127 . 1 1 95 95 LEU HB3 H 1 1.357 0.030 . 2 . . . . 95 LEU HB3 . 11296 1 1128 . 1 1 95 95 LEU HD11 H 1 0.874 0.030 . 1 . . . . 95 LEU HD1 . 11296 1 1129 . 1 1 95 95 LEU HD12 H 1 0.874 0.030 . 1 . . . . 95 LEU HD1 . 11296 1 1130 . 1 1 95 95 LEU HD13 H 1 0.874 0.030 . 1 . . . . 95 LEU HD1 . 11296 1 1131 . 1 1 95 95 LEU HD21 H 1 0.692 0.030 . 1 . . . . 95 LEU HD2 . 11296 1 1132 . 1 1 95 95 LEU HD22 H 1 0.692 0.030 . 1 . . . . 95 LEU HD2 . 11296 1 1133 . 1 1 95 95 LEU HD23 H 1 0.692 0.030 . 1 . . . . 95 LEU HD2 . 11296 1 1134 . 1 1 95 95 LEU HG H 1 1.698 0.030 . 1 . . . . 95 LEU HG . 11296 1 1135 . 1 1 95 95 LEU C C 13 180.545 0.300 . 1 . . . . 95 LEU C . 11296 1 1136 . 1 1 95 95 LEU CA C 13 58.337 0.300 . 1 . . . . 95 LEU CA . 11296 1 1137 . 1 1 95 95 LEU CB C 13 41.407 0.300 . 1 . . . . 95 LEU CB . 11296 1 1138 . 1 1 95 95 LEU CD1 C 13 25.548 0.300 . 2 . . . . 95 LEU CD1 . 11296 1 1139 . 1 1 95 95 LEU CD2 C 13 23.036 0.300 . 2 . . . . 95 LEU CD2 . 11296 1 1140 . 1 1 95 95 LEU CG C 13 26.805 0.300 . 1 . . . . 95 LEU CG . 11296 1 1141 . 1 1 95 95 LEU N N 15 117.078 0.300 . 1 . . . . 95 LEU N . 11296 1 1142 . 1 1 96 96 GLN H H 1 8.214 0.030 . 1 . . . . 96 GLN H . 11296 1 1143 . 1 1 96 96 GLN HA H 1 3.946 0.030 . 1 . . . . 96 GLN HA . 11296 1 1144 . 1 1 96 96 GLN HB2 H 1 2.127 0.030 . 1 . . . . 96 GLN HB2 . 11296 1 1145 . 1 1 96 96 GLN HB3 H 1 2.127 0.030 . 1 . . . . 96 GLN HB3 . 11296 1 1146 . 1 1 96 96 GLN HE21 H 1 7.226 0.030 . 2 . . . . 96 GLN HE21 . 11296 1 1147 . 1 1 96 96 GLN HE22 H 1 6.879 0.030 . 2 . . . . 96 GLN HE22 . 11296 1 1148 . 1 1 96 96 GLN HG2 H 1 2.274 0.030 . 2 . . . . 96 GLN HG2 . 11296 1 1149 . 1 1 96 96 GLN HG3 H 1 2.145 0.030 . 2 . . . . 96 GLN HG3 . 11296 1 1150 . 1 1 96 96 GLN C C 13 179.003 0.300 . 1 . . . . 96 GLN C . 11296 1 1151 . 1 1 96 96 GLN CA C 13 58.756 0.300 . 1 . . . . 96 GLN CA . 11296 1 1152 . 1 1 96 96 GLN CB C 13 28.905 0.300 . 1 . . . . 96 GLN CB . 11296 1 1153 . 1 1 96 96 GLN CG C 13 33.861 0.300 . 1 . . . . 96 GLN CG . 11296 1 1154 . 1 1 96 96 GLN N N 15 120.638 0.300 . 1 . . . . 96 GLN N . 11296 1 1155 . 1 1 96 96 GLN NE2 N 15 112.326 0.300 . 1 . . . . 96 GLN NE2 . 11296 1 1156 . 1 1 97 97 VAL H H 1 8.605 0.030 . 1 . . . . 97 VAL H . 11296 1 1157 . 1 1 97 97 VAL HA H 1 3.715 0.030 . 1 . . . . 97 VAL HA . 11296 1 1158 . 1 1 97 97 VAL HB H 1 2.082 0.030 . 1 . . . . 97 VAL HB . 11296 1 1159 . 1 1 97 97 VAL HG11 H 1 1.095 0.030 . 1 . . . . 97 VAL HG1 . 11296 1 1160 . 1 1 97 97 VAL HG12 H 1 1.095 0.030 . 1 . . . . 97 VAL HG1 . 11296 1 1161 . 1 1 97 97 VAL HG13 H 1 1.095 0.030 . 1 . . . . 97 VAL HG1 . 11296 1 1162 . 1 1 97 97 VAL HG21 H 1 0.933 0.030 . 1 . . . . 97 VAL HG2 . 11296 1 1163 . 1 1 97 97 VAL HG22 H 1 0.933 0.030 . 1 . . . . 97 VAL HG2 . 11296 1 1164 . 1 1 97 97 VAL HG23 H 1 0.933 0.030 . 1 . . . . 97 VAL HG2 . 11296 1 1165 . 1 1 97 97 VAL C C 13 179.136 0.300 . 1 . . . . 97 VAL C . 11296 1 1166 . 1 1 97 97 VAL CA C 13 66.587 0.300 . 1 . . . . 97 VAL CA . 11296 1 1167 . 1 1 97 97 VAL CB C 13 31.798 0.300 . 1 . . . . 97 VAL CB . 11296 1 1168 . 1 1 97 97 VAL CG1 C 13 22.758 0.300 . 2 . . . . 97 VAL CG1 . 11296 1 1169 . 1 1 97 97 VAL CG2 C 13 21.500 0.300 . 2 . . . . 97 VAL CG2 . 11296 1 1170 . 1 1 97 97 VAL N N 15 121.374 0.300 . 1 . . . . 97 VAL N . 11296 1 1171 . 1 1 98 98 LEU H H 1 8.580 0.030 . 1 . . . . 98 LEU H . 11296 1 1172 . 1 1 98 98 LEU HA H 1 3.955 0.030 . 1 . . . . 98 LEU HA . 11296 1 1173 . 1 1 98 98 LEU HB2 H 1 1.841 0.030 . 2 . . . . 98 LEU HB2 . 11296 1 1174 . 1 1 98 98 LEU HB3 H 1 1.365 0.030 . 2 . . . . 98 LEU HB3 . 11296 1 1175 . 1 1 98 98 LEU HD11 H 1 0.769 0.030 . 1 . . . . 98 LEU HD1 . 11296 1 1176 . 1 1 98 98 LEU HD12 H 1 0.769 0.030 . 1 . . . . 98 LEU HD1 . 11296 1 1177 . 1 1 98 98 LEU HD13 H 1 0.769 0.030 . 1 . . . . 98 LEU HD1 . 11296 1 1178 . 1 1 98 98 LEU HD21 H 1 0.817 0.030 . 1 . . . . 98 LEU HD2 . 11296 1 1179 . 1 1 98 98 LEU HD22 H 1 0.817 0.030 . 1 . . . . 98 LEU HD2 . 11296 1 1180 . 1 1 98 98 LEU HD23 H 1 0.817 0.030 . 1 . . . . 98 LEU HD2 . 11296 1 1181 . 1 1 98 98 LEU HG H 1 2.002 0.030 . 1 . . . . 98 LEU HG . 11296 1 1182 . 1 1 98 98 LEU C C 13 178.821 0.300 . 1 . . . . 98 LEU C . 11296 1 1183 . 1 1 98 98 LEU CA C 13 58.503 0.300 . 1 . . . . 98 LEU CA . 11296 1 1184 . 1 1 98 98 LEU CB C 13 40.883 0.300 . 1 . . . . 98 LEU CB . 11296 1 1185 . 1 1 98 98 LEU CD1 C 13 26.382 0.300 . 2 . . . . 98 LEU CD1 . 11296 1 1186 . 1 1 98 98 LEU CD2 C 13 23.466 0.300 . 2 . . . . 98 LEU CD2 . 11296 1 1187 . 1 1 98 98 LEU CG C 13 27.562 0.300 . 1 . . . . 98 LEU CG . 11296 1 1188 . 1 1 98 98 LEU N N 15 118.223 0.300 . 1 . . . . 98 LEU N . 11296 1 1189 . 1 1 99 99 GLY H H 1 8.087 0.030 . 1 . . . . 99 GLY H . 11296 1 1190 . 1 1 99 99 GLY HA2 H 1 3.914 0.030 . 2 . . . . 99 GLY HA2 . 11296 1 1191 . 1 1 99 99 GLY HA3 H 1 3.775 0.030 . 2 . . . . 99 GLY HA3 . 11296 1 1192 . 1 1 99 99 GLY C C 13 176.879 0.300 . 1 . . . . 99 GLY C . 11296 1 1193 . 1 1 99 99 GLY CA C 13 47.341 0.300 . 1 . . . . 99 GLY CA . 11296 1 1194 . 1 1 99 99 GLY N N 15 105.456 0.300 . 1 . . . . 99 GLY N . 11296 1 1195 . 1 1 100 100 HIS H H 1 7.868 0.030 . 1 . . . . 100 HIS H . 11296 1 1196 . 1 1 100 100 HIS HA H 1 4.462 0.030 . 1 . . . . 100 HIS HA . 11296 1 1197 . 1 1 100 100 HIS HB2 H 1 3.341 0.030 . 1 . . . . 100 HIS HB2 . 11296 1 1198 . 1 1 100 100 HIS HB3 H 1 3.341 0.030 . 1 . . . . 100 HIS HB3 . 11296 1 1199 . 1 1 100 100 HIS HD2 H 1 6.990 0.030 . 1 . . . . 100 HIS HD2 . 11296 1 1200 . 1 1 100 100 HIS C C 13 178.372 0.300 . 1 . . . . 100 HIS C . 11296 1 1201 . 1 1 100 100 HIS CA C 13 59.667 0.300 . 1 . . . . 100 HIS CA . 11296 1 1202 . 1 1 100 100 HIS CB C 13 30.309 0.300 . 1 . . . . 100 HIS CB . 11296 1 1203 . 1 1 100 100 HIS CD2 C 13 119.687 0.300 . 1 . . . . 100 HIS CD2 . 11296 1 1204 . 1 1 100 100 HIS N N 15 122.331 0.300 . 1 . . . . 100 HIS N . 11296 1 1205 . 1 1 101 101 VAL H H 1 8.197 0.030 . 1 . . . . 101 VAL H . 11296 1 1206 . 1 1 101 101 VAL HA H 1 3.611 0.030 . 1 . . . . 101 VAL HA . 11296 1 1207 . 1 1 101 101 VAL HB H 1 2.244 0.030 . 1 . . . . 101 VAL HB . 11296 1 1208 . 1 1 101 101 VAL HG11 H 1 1.131 0.030 . 1 . . . . 101 VAL HG1 . 11296 1 1209 . 1 1 101 101 VAL HG12 H 1 1.131 0.030 . 1 . . . . 101 VAL HG1 . 11296 1 1210 . 1 1 101 101 VAL HG13 H 1 1.131 0.030 . 1 . . . . 101 VAL HG1 . 11296 1 1211 . 1 1 101 101 VAL HG21 H 1 0.855 0.030 . 1 . . . . 101 VAL HG2 . 11296 1 1212 . 1 1 101 101 VAL HG22 H 1 0.855 0.030 . 1 . . . . 101 VAL HG2 . 11296 1 1213 . 1 1 101 101 VAL HG23 H 1 0.855 0.030 . 1 . . . . 101 VAL HG2 . 11296 1 1214 . 1 1 101 101 VAL C C 13 178.567 0.300 . 1 . . . . 101 VAL C . 11296 1 1215 . 1 1 101 101 VAL CA C 13 66.305 0.300 . 1 . . . . 101 VAL CA . 11296 1 1216 . 1 1 101 101 VAL CB C 13 31.541 0.300 . 1 . . . . 101 VAL CB . 11296 1 1217 . 1 1 101 101 VAL CG1 C 13 23.109 0.300 . 2 . . . . 101 VAL CG1 . 11296 1 1218 . 1 1 101 101 VAL CG2 C 13 21.693 0.300 . 2 . . . . 101 VAL CG2 . 11296 1 1219 . 1 1 101 101 VAL N N 15 122.158 0.300 . 1 . . . . 101 VAL N . 11296 1 1220 . 1 1 102 102 ALA H H 1 8.350 0.030 . 1 . . . . 102 ALA H . 11296 1 1221 . 1 1 102 102 ALA HA H 1 4.431 0.030 . 1 . . . . 102 ALA HA . 11296 1 1222 . 1 1 102 102 ALA HB1 H 1 1.519 0.030 . 1 . . . . 102 ALA HB . 11296 1 1223 . 1 1 102 102 ALA HB2 H 1 1.519 0.030 . 1 . . . . 102 ALA HB . 11296 1 1224 . 1 1 102 102 ALA HB3 H 1 1.519 0.030 . 1 . . . . 102 ALA HB . 11296 1 1225 . 1 1 102 102 ALA C C 13 178.396 0.300 . 1 . . . . 102 ALA C . 11296 1 1226 . 1 1 102 102 ALA CA C 13 54.625 0.300 . 1 . . . . 102 ALA CA . 11296 1 1227 . 1 1 102 102 ALA CB C 13 18.232 0.300 . 1 . . . . 102 ALA CB . 11296 1 1228 . 1 1 102 102 ALA N N 15 121.855 0.300 . 1 . . . . 102 ALA N . 11296 1 1229 . 1 1 103 103 LYS H H 1 7.651 0.030 . 1 . . . . 103 LYS H . 11296 1 1230 . 1 1 103 103 LYS HA H 1 3.833 0.030 . 1 . . . . 103 LYS HA . 11296 1 1231 . 1 1 103 103 LYS HB2 H 1 1.911 0.030 . 1 . . . . 103 LYS HB2 . 11296 1 1232 . 1 1 103 103 LYS HB3 H 1 1.911 0.030 . 1 . . . . 103 LYS HB3 . 11296 1 1233 . 1 1 103 103 LYS HD2 H 1 1.728 0.030 . 1 . . . . 103 LYS HD2 . 11296 1 1234 . 1 1 103 103 LYS HD3 H 1 1.728 0.030 . 1 . . . . 103 LYS HD3 . 11296 1 1235 . 1 1 103 103 LYS HE2 H 1 3.007 0.030 . 1 . . . . 103 LYS HE2 . 11296 1 1236 . 1 1 103 103 LYS HE3 H 1 3.007 0.030 . 1 . . . . 103 LYS HE3 . 11296 1 1237 . 1 1 103 103 LYS HG2 H 1 1.585 0.030 . 2 . . . . 103 LYS HG2 . 11296 1 1238 . 1 1 103 103 LYS HG3 H 1 1.483 0.030 . 2 . . . . 103 LYS HG3 . 11296 1 1239 . 1 1 103 103 LYS C C 13 179.817 0.300 . 1 . . . . 103 LYS C . 11296 1 1240 . 1 1 103 103 LYS CA C 13 59.250 0.300 . 1 . . . . 103 LYS CA . 11296 1 1241 . 1 1 103 103 LYS CB C 13 32.325 0.300 . 1 . . . . 103 LYS CB . 11296 1 1242 . 1 1 103 103 LYS CD C 13 29.325 0.300 . 1 . . . . 103 LYS CD . 11296 1 1243 . 1 1 103 103 LYS CE C 13 42.136 0.300 . 1 . . . . 103 LYS CE . 11296 1 1244 . 1 1 103 103 LYS CG C 13 25.332 0.300 . 1 . . . . 103 LYS CG . 11296 1 1245 . 1 1 103 103 LYS N N 15 115.457 0.300 . 1 . . . . 103 LYS N . 11296 1 1246 . 1 1 104 104 ALA H H 1 8.033 0.030 . 1 . . . . 104 ALA H . 11296 1 1247 . 1 1 104 104 ALA HA H 1 4.147 0.030 . 1 . . . . 104 ALA HA . 11296 1 1248 . 1 1 104 104 ALA HB1 H 1 1.410 0.030 . 1 . . . . 104 ALA HB . 11296 1 1249 . 1 1 104 104 ALA HB2 H 1 1.410 0.030 . 1 . . . . 104 ALA HB . 11296 1 1250 . 1 1 104 104 ALA HB3 H 1 1.410 0.030 . 1 . . . . 104 ALA HB . 11296 1 1251 . 1 1 104 104 ALA C C 13 178.821 0.300 . 1 . . . . 104 ALA C . 11296 1 1252 . 1 1 104 104 ALA CA C 13 54.049 0.300 . 1 . . . . 104 ALA CA . 11296 1 1253 . 1 1 104 104 ALA CB C 13 17.905 0.300 . 1 . . . . 104 ALA CB . 11296 1 1254 . 1 1 104 104 ALA N N 15 120.706 0.300 . 1 . . . . 104 ALA N . 11296 1 1255 . 1 1 105 105 GLY H H 1 7.765 0.030 . 1 . . . . 105 GLY H . 11296 1 1256 . 1 1 105 105 GLY HA2 H 1 4.246 0.030 . 2 . . . . 105 GLY HA2 . 11296 1 1257 . 1 1 105 105 GLY HA3 H 1 3.625 0.030 . 2 . . . . 105 GLY HA3 . 11296 1 1258 . 1 1 105 105 GLY C C 13 173.552 0.300 . 1 . . . . 105 GLY C . 11296 1 1259 . 1 1 105 105 GLY CA C 13 44.556 0.300 . 1 . . . . 105 GLY CA . 11296 1 1260 . 1 1 105 105 GLY N N 15 105.726 0.300 . 1 . . . . 105 GLY N . 11296 1 1261 . 1 1 106 106 LEU H H 1 6.991 0.030 . 1 . . . . 106 LEU H . 11296 1 1262 . 1 1 106 106 LEU HA H 1 3.873 0.030 . 1 . . . . 106 LEU HA . 11296 1 1263 . 1 1 106 106 LEU HB2 H 1 1.767 0.030 . 2 . . . . 106 LEU HB2 . 11296 1 1264 . 1 1 106 106 LEU HB3 H 1 1.554 0.030 . 2 . . . . 106 LEU HB3 . 11296 1 1265 . 1 1 106 106 LEU HD11 H 1 0.953 0.030 . 1 . . . . 106 LEU HD1 . 11296 1 1266 . 1 1 106 106 LEU HD12 H 1 0.953 0.030 . 1 . . . . 106 LEU HD1 . 11296 1 1267 . 1 1 106 106 LEU HD13 H 1 0.953 0.030 . 1 . . . . 106 LEU HD1 . 11296 1 1268 . 1 1 106 106 LEU HD21 H 1 0.814 0.030 . 1 . . . . 106 LEU HD2 . 11296 1 1269 . 1 1 106 106 LEU HD22 H 1 0.814 0.030 . 1 . . . . 106 LEU HD2 . 11296 1 1270 . 1 1 106 106 LEU HD23 H 1 0.814 0.030 . 1 . . . . 106 LEU HD2 . 11296 1 1271 . 1 1 106 106 LEU HG H 1 1.852 0.030 . 1 . . . . 106 LEU HG . 11296 1 1272 . 1 1 106 106 LEU C C 13 177.728 0.300 . 1 . . . . 106 LEU C . 11296 1 1273 . 1 1 106 106 LEU CA C 13 57.654 0.300 . 1 . . . . 106 LEU CA . 11296 1 1274 . 1 1 106 106 LEU CB C 13 42.892 0.300 . 1 . . . . 106 LEU CB . 11296 1 1275 . 1 1 106 106 LEU CD1 C 13 25.255 0.300 . 2 . . . . 106 LEU CD1 . 11296 1 1276 . 1 1 106 106 LEU CD2 C 13 24.472 0.300 . 2 . . . . 106 LEU CD2 . 11296 1 1277 . 1 1 106 106 LEU CG C 13 26.977 0.300 . 1 . . . . 106 LEU CG . 11296 1 1278 . 1 1 106 106 LEU N N 15 121.215 0.300 . 1 . . . . 106 LEU N . 11296 1 1279 . 1 1 107 107 GLY H H 1 8.434 0.030 . 1 . . . . 107 GLY H . 11296 1 1280 . 1 1 107 107 GLY HA2 H 1 4.354 0.030 . 2 . . . . 107 GLY HA2 . 11296 1 1281 . 1 1 107 107 GLY HA3 H 1 2.955 0.030 . 2 . . . . 107 GLY HA3 . 11296 1 1282 . 1 1 107 107 GLY C C 13 173.379 0.300 . 1 . . . . 107 GLY C . 11296 1 1283 . 1 1 107 107 GLY CA C 13 44.670 0.300 . 1 . . . . 107 GLY CA . 11296 1 1284 . 1 1 107 107 GLY N N 15 110.667 0.300 . 1 . . . . 107 GLY N . 11296 1 1285 . 1 1 108 108 THR H H 1 8.062 0.030 . 1 . . . . 108 THR H . 11296 1 1286 . 1 1 108 108 THR HA H 1 4.500 0.030 . 1 . . . . 108 THR HA . 11296 1 1287 . 1 1 108 108 THR HB H 1 4.118 0.030 . 1 . . . . 108 THR HB . 11296 1 1288 . 1 1 108 108 THR HG21 H 1 1.095 0.030 . 1 . . . . 108 THR HG2 . 11296 1 1289 . 1 1 108 108 THR HG22 H 1 1.095 0.030 . 1 . . . . 108 THR HG2 . 11296 1 1290 . 1 1 108 108 THR HG23 H 1 1.095 0.030 . 1 . . . . 108 THR HG2 . 11296 1 1291 . 1 1 108 108 THR C C 13 170.772 0.300 . 1 . . . . 108 THR C . 11296 1 1292 . 1 1 108 108 THR CA C 13 59.738 0.300 . 1 . . . . 108 THR CA . 11296 1 1293 . 1 1 108 108 THR CB C 13 72.344 0.300 . 1 . . . . 108 THR CB . 11296 1 1294 . 1 1 108 108 THR CG2 C 13 21.475 0.300 . 1 . . . . 108 THR CG2 . 11296 1 1295 . 1 1 108 108 THR N N 15 113.638 0.300 . 1 . . . . 108 THR N . 11296 1 1296 . 1 1 109 109 ALA H H 1 7.839 0.030 . 1 . . . . 109 ALA H . 11296 1 1297 . 1 1 109 109 ALA HA H 1 4.319 0.030 . 1 . . . . 109 ALA HA . 11296 1 1298 . 1 1 109 109 ALA HB1 H 1 1.293 0.030 . 1 . . . . 109 ALA HB . 11296 1 1299 . 1 1 109 109 ALA HB2 H 1 1.293 0.030 . 1 . . . . 109 ALA HB . 11296 1 1300 . 1 1 109 109 ALA HB3 H 1 1.293 0.030 . 1 . . . . 109 ALA HB . 11296 1 1301 . 1 1 109 109 ALA C C 13 178.251 0.300 . 1 . . . . 109 ALA C . 11296 1 1302 . 1 1 109 109 ALA CA C 13 52.706 0.300 . 1 . . . . 109 ALA CA . 11296 1 1303 . 1 1 109 109 ALA CB C 13 17.220 0.300 . 1 . . . . 109 ALA CB . 11296 1 1304 . 1 1 109 109 ALA N N 15 120.534 0.300 . 1 . . . . 109 ALA N . 11296 1 1305 . 1 1 110 110 MET H H 1 8.257 0.030 . 1 . . . . 110 MET H . 11296 1 1306 . 1 1 110 110 MET HA H 1 4.987 0.030 . 1 . . . . 110 MET HA . 11296 1 1307 . 1 1 110 110 MET HB2 H 1 2.142 0.030 . 1 . . . . 110 MET HB2 . 11296 1 1308 . 1 1 110 110 MET HB3 H 1 2.142 0.030 . 1 . . . . 110 MET HB3 . 11296 1 1309 . 1 1 110 110 MET HE1 H 1 2.155 0.030 . 1 . . . . 110 MET HE . 11296 1 1310 . 1 1 110 110 MET HE2 H 1 2.155 0.030 . 1 . . . . 110 MET HE . 11296 1 1311 . 1 1 110 110 MET HE3 H 1 2.155 0.030 . 1 . . . . 110 MET HE . 11296 1 1312 . 1 1 110 110 MET HG2 H 1 2.947 0.030 . 2 . . . . 110 MET HG2 . 11296 1 1313 . 1 1 110 110 MET HG3 H 1 2.325 0.030 . 2 . . . . 110 MET HG3 . 11296 1 1314 . 1 1 110 110 MET C C 13 176.429 0.300 . 1 . . . . 110 MET C . 11296 1 1315 . 1 1 110 110 MET CA C 13 55.997 0.300 . 1 . . . . 110 MET CA . 11296 1 1316 . 1 1 110 110 MET CB C 13 36.527 0.300 . 1 . . . . 110 MET CB . 11296 1 1317 . 1 1 110 110 MET CE C 13 16.979 0.300 . 1 . . . . 110 MET CE . 11296 1 1318 . 1 1 110 110 MET CG C 13 30.956 0.300 . 1 . . . . 110 MET CG . 11296 1 1319 . 1 1 110 110 MET N N 15 123.344 0.300 . 1 . . . . 110 MET N . 11296 1 1320 . 1 1 111 111 LEU H H 1 9.498 0.030 . 1 . . . . 111 LEU H . 11296 1 1321 . 1 1 111 111 LEU HA H 1 3.856 0.030 . 1 . . . . 111 LEU HA . 11296 1 1322 . 1 1 111 111 LEU HB2 H 1 1.969 0.030 . 2 . . . . 111 LEU HB2 . 11296 1 1323 . 1 1 111 111 LEU HB3 H 1 1.023 0.030 . 2 . . . . 111 LEU HB3 . 11296 1 1324 . 1 1 111 111 LEU HD11 H 1 0.427 0.030 . 1 . . . . 111 LEU HD1 . 11296 1 1325 . 1 1 111 111 LEU HD12 H 1 0.427 0.030 . 1 . . . . 111 LEU HD1 . 11296 1 1326 . 1 1 111 111 LEU HD13 H 1 0.427 0.030 . 1 . . . . 111 LEU HD1 . 11296 1 1327 . 1 1 111 111 LEU HD21 H 1 0.577 0.030 . 1 . . . . 111 LEU HD2 . 11296 1 1328 . 1 1 111 111 LEU HD22 H 1 0.577 0.030 . 1 . . . . 111 LEU HD2 . 11296 1 1329 . 1 1 111 111 LEU HD23 H 1 0.577 0.030 . 1 . . . . 111 LEU HD2 . 11296 1 1330 . 1 1 111 111 LEU HG H 1 2.291 0.030 . 1 . . . . 111 LEU HG . 11296 1 1331 . 1 1 111 111 LEU C C 13 178.554 0.300 . 1 . . . . 111 LEU C . 11296 1 1332 . 1 1 111 111 LEU CA C 13 59.888 0.300 . 1 . . . . 111 LEU CA . 11296 1 1333 . 1 1 111 111 LEU CB C 13 41.390 0.300 . 1 . . . . 111 LEU CB . 11296 1 1334 . 1 1 111 111 LEU CD1 C 13 26.061 0.300 . 2 . . . . 111 LEU CD1 . 11296 1 1335 . 1 1 111 111 LEU CD2 C 13 22.600 0.300 . 2 . . . . 111 LEU CD2 . 11296 1 1336 . 1 1 111 111 LEU CG C 13 26.041 0.300 . 1 . . . . 111 LEU CG . 11296 1 1337 . 1 1 111 111 LEU N N 15 123.290 0.300 . 1 . . . . 111 LEU N . 11296 1 1338 . 1 1 112 112 TYR H H 1 9.152 0.030 . 1 . . . . 112 TYR H . 11296 1 1339 . 1 1 112 112 TYR HA H 1 4.188 0.030 . 1 . . . . 112 TYR HA . 11296 1 1340 . 1 1 112 112 TYR HB2 H 1 3.136 0.030 . 2 . . . . 112 TYR HB2 . 11296 1 1341 . 1 1 112 112 TYR HB3 H 1 2.933 0.030 . 2 . . . . 112 TYR HB3 . 11296 1 1342 . 1 1 112 112 TYR HD1 H 1 7.103 0.030 . 1 . . . . 112 TYR HD1 . 11296 1 1343 . 1 1 112 112 TYR HD2 H 1 7.103 0.030 . 1 . . . . 112 TYR HD2 . 11296 1 1344 . 1 1 112 112 TYR HE1 H 1 6.713 0.030 . 1 . . . . 112 TYR HE1 . 11296 1 1345 . 1 1 112 112 TYR HE2 H 1 6.713 0.030 . 1 . . . . 112 TYR HE2 . 11296 1 1346 . 1 1 112 112 TYR C C 13 176.296 0.300 . 1 . . . . 112 TYR C . 11296 1 1347 . 1 1 112 112 TYR CA C 13 61.331 0.300 . 1 . . . . 112 TYR CA . 11296 1 1348 . 1 1 112 112 TYR CB C 13 38.250 0.300 . 1 . . . . 112 TYR CB . 11296 1 1349 . 1 1 112 112 TYR CD1 C 13 133.281 0.300 . 1 . . . . 112 TYR CD1 . 11296 1 1350 . 1 1 112 112 TYR CD2 C 13 133.281 0.300 . 1 . . . . 112 TYR CD2 . 11296 1 1351 . 1 1 112 112 TYR CE1 C 13 118.177 0.300 . 1 . . . . 112 TYR CE1 . 11296 1 1352 . 1 1 112 112 TYR CE2 C 13 118.177 0.300 . 1 . . . . 112 TYR CE2 . 11296 1 1353 . 1 1 112 112 TYR N N 15 118.389 0.300 . 1 . . . . 112 TYR N . 11296 1 1354 . 1 1 113 113 GLU H H 1 8.028 0.030 . 1 . . . . 113 GLU H . 11296 1 1355 . 1 1 113 113 GLU HA H 1 3.732 0.030 . 1 . . . . 113 GLU HA . 11296 1 1356 . 1 1 113 113 GLU HB2 H 1 2.117 0.030 . 2 . . . . 113 GLU HB2 . 11296 1 1357 . 1 1 113 113 GLU HB3 H 1 1.889 0.030 . 2 . . . . 113 GLU HB3 . 11296 1 1358 . 1 1 113 113 GLU HG2 H 1 2.338 0.030 . 2 . . . . 113 GLU HG2 . 11296 1 1359 . 1 1 113 113 GLU HG3 H 1 2.300 0.030 . 2 . . . . 113 GLU HG3 . 11296 1 1360 . 1 1 113 113 GLU C C 13 179.793 0.300 . 1 . . . . 113 GLU C . 11296 1 1361 . 1 1 113 113 GLU CA C 13 59.728 0.300 . 1 . . . . 113 GLU CA . 11296 1 1362 . 1 1 113 113 GLU CB C 13 28.863 0.300 . 1 . . . . 113 GLU CB . 11296 1 1363 . 1 1 113 113 GLU CG C 13 36.775 0.300 . 1 . . . . 113 GLU CG . 11296 1 1364 . 1 1 113 113 GLU N N 15 117.099 0.300 . 1 . . . . 113 GLU N . 11296 1 1365 . 1 1 114 114 LEU H H 1 7.953 0.030 . 1 . . . . 114 LEU H . 11296 1 1366 . 1 1 114 114 LEU HA H 1 3.892 0.030 . 1 . . . . 114 LEU HA . 11296 1 1367 . 1 1 114 114 LEU HB2 H 1 2.109 0.030 . 2 . . . . 114 LEU HB2 . 11296 1 1368 . 1 1 114 114 LEU HB3 H 1 1.212 0.030 . 2 . . . . 114 LEU HB3 . 11296 1 1369 . 1 1 114 114 LEU HD11 H 1 0.838 0.030 . 1 . . . . 114 LEU HD1 . 11296 1 1370 . 1 1 114 114 LEU HD12 H 1 0.838 0.030 . 1 . . . . 114 LEU HD1 . 11296 1 1371 . 1 1 114 114 LEU HD13 H 1 0.838 0.030 . 1 . . . . 114 LEU HD1 . 11296 1 1372 . 1 1 114 114 LEU HD21 H 1 0.864 0.030 . 1 . . . . 114 LEU HD2 . 11296 1 1373 . 1 1 114 114 LEU HD22 H 1 0.864 0.030 . 1 . . . . 114 LEU HD2 . 11296 1 1374 . 1 1 114 114 LEU HD23 H 1 0.864 0.030 . 1 . . . . 114 LEU HD2 . 11296 1 1375 . 1 1 114 114 LEU HG H 1 1.896 0.030 . 1 . . . . 114 LEU HG . 11296 1 1376 . 1 1 114 114 LEU C C 13 177.668 0.300 . 1 . . . . 114 LEU C . 11296 1 1377 . 1 1 114 114 LEU CA C 13 58.548 0.300 . 1 . . . . 114 LEU CA . 11296 1 1378 . 1 1 114 114 LEU CB C 13 42.742 0.300 . 1 . . . . 114 LEU CB . 11296 1 1379 . 1 1 114 114 LEU CD1 C 13 26.650 0.300 . 2 . . . . 114 LEU CD1 . 11296 1 1380 . 1 1 114 114 LEU CD2 C 13 25.286 0.300 . 2 . . . . 114 LEU CD2 . 11296 1 1381 . 1 1 114 114 LEU CG C 13 26.995 0.300 . 1 . . . . 114 LEU CG . 11296 1 1382 . 1 1 114 114 LEU N N 15 118.961 0.300 . 1 . . . . 114 LEU N . 11296 1 1383 . 1 1 115 115 ILE H H 1 7.999 0.030 . 1 . . . . 115 ILE H . 11296 1 1384 . 1 1 115 115 ILE HA H 1 3.226 0.030 . 1 . . . . 115 ILE HA . 11296 1 1385 . 1 1 115 115 ILE HB H 1 1.848 0.030 . 1 . . . . 115 ILE HB . 11296 1 1386 . 1 1 115 115 ILE HD11 H 1 0.549 0.030 . 1 . . . . 115 ILE HD1 . 11296 1 1387 . 1 1 115 115 ILE HD12 H 1 0.549 0.030 . 1 . . . . 115 ILE HD1 . 11296 1 1388 . 1 1 115 115 ILE HD13 H 1 0.549 0.030 . 1 . . . . 115 ILE HD1 . 11296 1 1389 . 1 1 115 115 ILE HG12 H 1 1.766 0.030 . 2 . . . . 115 ILE HG12 . 11296 1 1390 . 1 1 115 115 ILE HG13 H 1 0.548 0.030 . 2 . . . . 115 ILE HG13 . 11296 1 1391 . 1 1 115 115 ILE HG21 H 1 0.522 0.030 . 1 . . . . 115 ILE HG2 . 11296 1 1392 . 1 1 115 115 ILE HG22 H 1 0.522 0.030 . 1 . . . . 115 ILE HG2 . 11296 1 1393 . 1 1 115 115 ILE HG23 H 1 0.522 0.030 . 1 . . . . 115 ILE HG2 . 11296 1 1394 . 1 1 115 115 ILE C C 13 178.311 0.300 . 1 . . . . 115 ILE C . 11296 1 1395 . 1 1 115 115 ILE CA C 13 66.173 0.300 . 1 . . . . 115 ILE CA . 11296 1 1396 . 1 1 115 115 ILE CB C 13 38.140 0.300 . 1 . . . . 115 ILE CB . 11296 1 1397 . 1 1 115 115 ILE CD1 C 13 14.193 0.300 . 1 . . . . 115 ILE CD1 . 11296 1 1398 . 1 1 115 115 ILE CG1 C 13 30.034 0.300 . 1 . . . . 115 ILE CG1 . 11296 1 1399 . 1 1 115 115 ILE CG2 C 13 18.408 0.300 . 1 . . . . 115 ILE CG2 . 11296 1 1400 . 1 1 115 115 ILE N N 15 119.299 0.300 . 1 . . . . 115 ILE N . 11296 1 1401 . 1 1 116 116 GLU H H 1 8.423 0.030 . 1 . . . . 116 GLU H . 11296 1 1402 . 1 1 116 116 GLU HA H 1 3.737 0.030 . 1 . . . . 116 GLU HA . 11296 1 1403 . 1 1 116 116 GLU HB2 H 1 1.925 0.030 . 2 . . . . 116 GLU HB2 . 11296 1 1404 . 1 1 116 116 GLU HB3 H 1 1.643 0.030 . 2 . . . . 116 GLU HB3 . 11296 1 1405 . 1 1 116 116 GLU HG2 H 1 1.835 0.030 . 2 . . . . 116 GLU HG2 . 11296 1 1406 . 1 1 116 116 GLU HG3 H 1 1.565 0.030 . 2 . . . . 116 GLU HG3 . 11296 1 1407 . 1 1 116 116 GLU C C 13 180.315 0.300 . 1 . . . . 116 GLU C . 11296 1 1408 . 1 1 116 116 GLU CA C 13 58.979 0.300 . 1 . . . . 116 GLU CA . 11296 1 1409 . 1 1 116 116 GLU CB C 13 29.102 0.300 . 1 . . . . 116 GLU CB . 11296 1 1410 . 1 1 116 116 GLU CG C 13 36.363 0.300 . 1 . . . . 116 GLU CG . 11296 1 1411 . 1 1 116 116 GLU N N 15 116.034 0.300 . 1 . . . . 116 GLU N . 11296 1 1412 . 1 1 117 117 LYS H H 1 8.278 0.030 . 1 . . . . 117 LYS H . 11296 1 1413 . 1 1 117 117 LYS HA H 1 4.217 0.030 . 1 . . . . 117 LYS HA . 11296 1 1414 . 1 1 117 117 LYS HB2 H 1 2.024 0.030 . 2 . . . . 117 LYS HB2 . 11296 1 1415 . 1 1 117 117 LYS HB3 H 1 1.955 0.030 . 2 . . . . 117 LYS HB3 . 11296 1 1416 . 1 1 117 117 LYS HD2 H 1 1.741 0.030 . 1 . . . . 117 LYS HD2 . 11296 1 1417 . 1 1 117 117 LYS HD3 H 1 1.741 0.030 . 1 . . . . 117 LYS HD3 . 11296 1 1418 . 1 1 117 117 LYS HE2 H 1 2.867 0.030 . 2 . . . . 117 LYS HE2 . 11296 1 1419 . 1 1 117 117 LYS HE3 H 1 2.728 0.030 . 2 . . . . 117 LYS HE3 . 11296 1 1420 . 1 1 117 117 LYS HG2 H 1 1.409 0.030 . 1 . . . . 117 LYS HG2 . 11296 1 1421 . 1 1 117 117 LYS HG3 H 1 1.409 0.030 . 1 . . . . 117 LYS HG3 . 11296 1 1422 . 1 1 117 117 LYS C C 13 178.579 0.300 . 1 . . . . 117 LYS C . 11296 1 1423 . 1 1 117 117 LYS CA C 13 57.256 0.300 . 1 . . . . 117 LYS CA . 11296 1 1424 . 1 1 117 117 LYS CB C 13 29.770 0.300 . 1 . . . . 117 LYS CB . 11296 1 1425 . 1 1 117 117 LYS CD C 13 27.438 0.300 . 1 . . . . 117 LYS CD . 11296 1 1426 . 1 1 117 117 LYS CE C 13 41.842 0.300 . 1 . . . . 117 LYS CE . 11296 1 1427 . 1 1 117 117 LYS CG C 13 24.774 0.300 . 1 . . . . 117 LYS CG . 11296 1 1428 . 1 1 117 117 LYS N N 15 121.349 0.300 . 1 . . . . 117 LYS N . 11296 1 1429 . 1 1 118 118 GLY H H 1 8.204 0.030 . 1 . . . . 118 GLY H . 11296 1 1430 . 1 1 118 118 GLY HA2 H 1 3.701 0.030 . 2 . . . . 118 GLY HA2 . 11296 1 1431 . 1 1 118 118 GLY HA3 H 1 3.523 0.030 . 2 . . . . 118 GLY HA3 . 11296 1 1432 . 1 1 118 118 GLY C C 13 173.916 0.300 . 1 . . . . 118 GLY C . 11296 1 1433 . 1 1 118 118 GLY CA C 13 47.600 0.300 . 1 . . . . 118 GLY CA . 11296 1 1434 . 1 1 118 118 GLY N N 15 107.196 0.300 . 1 . . . . 118 GLY N . 11296 1 1435 . 1 1 119 119 LYS H H 1 7.670 0.030 . 1 . . . . 119 LYS H . 11296 1 1436 . 1 1 119 119 LYS HA H 1 3.806 0.030 . 1 . . . . 119 LYS HA . 11296 1 1437 . 1 1 119 119 LYS HB2 H 1 1.955 0.030 . 2 . . . . 119 LYS HB2 . 11296 1 1438 . 1 1 119 119 LYS HB3 H 1 1.879 0.030 . 2 . . . . 119 LYS HB3 . 11296 1 1439 . 1 1 119 119 LYS HD2 H 1 1.775 0.030 . 2 . . . . 119 LYS HD2 . 11296 1 1440 . 1 1 119 119 LYS HD3 H 1 1.722 0.030 . 2 . . . . 119 LYS HD3 . 11296 1 1441 . 1 1 119 119 LYS HE2 H 1 2.992 0.030 . 2 . . . . 119 LYS HE2 . 11296 1 1442 . 1 1 119 119 LYS HE3 H 1 2.923 0.030 . 2 . . . . 119 LYS HE3 . 11296 1 1443 . 1 1 119 119 LYS HG2 H 1 1.653 0.030 . 2 . . . . 119 LYS HG2 . 11296 1 1444 . 1 1 119 119 LYS HG3 H 1 1.451 0.030 . 2 . . . . 119 LYS HG3 . 11296 1 1445 . 1 1 119 119 LYS C C 13 179.137 0.300 . 1 . . . . 119 LYS C . 11296 1 1446 . 1 1 119 119 LYS CA C 13 59.814 0.300 . 1 . . . . 119 LYS CA . 11296 1 1447 . 1 1 119 119 LYS CB C 13 32.695 0.300 . 1 . . . . 119 LYS CB . 11296 1 1448 . 1 1 119 119 LYS CD C 13 29.728 0.300 . 1 . . . . 119 LYS CD . 11296 1 1449 . 1 1 119 119 LYS CE C 13 41.634 0.300 . 1 . . . . 119 LYS CE . 11296 1 1450 . 1 1 119 119 LYS CG C 13 26.307 0.300 . 1 . . . . 119 LYS CG . 11296 1 1451 . 1 1 119 119 LYS N N 15 118.266 0.300 . 1 . . . . 119 LYS N . 11296 1 1452 . 1 1 120 120 GLU H H 1 8.164 0.030 . 1 . . . . 120 GLU H . 11296 1 1453 . 1 1 120 120 GLU HA H 1 4.070 0.030 . 1 . . . . 120 GLU HA . 11296 1 1454 . 1 1 120 120 GLU HB2 H 1 2.290 0.030 . 2 . . . . 120 GLU HB2 . 11296 1 1455 . 1 1 120 120 GLU HB3 H 1 2.208 0.030 . 2 . . . . 120 GLU HB3 . 11296 1 1456 . 1 1 120 120 GLU HG2 H 1 2.398 0.030 . 2 . . . . 120 GLU HG2 . 11296 1 1457 . 1 1 120 120 GLU HG3 H 1 2.133 0.030 . 2 . . . . 120 GLU HG3 . 11296 1 1458 . 1 1 120 120 GLU C C 13 179.622 0.300 . 1 . . . . 120 GLU C . 11296 1 1459 . 1 1 120 120 GLU CA C 13 59.028 0.300 . 1 . . . . 120 GLU CA . 11296 1 1460 . 1 1 120 120 GLU CB C 13 30.321 0.300 . 1 . . . . 120 GLU CB . 11296 1 1461 . 1 1 120 120 GLU CG C 13 36.116 0.300 . 1 . . . . 120 GLU CG . 11296 1 1462 . 1 1 120 120 GLU N N 15 121.692 0.300 . 1 . . . . 120 GLU N . 11296 1 1463 . 1 1 121 121 ILE H H 1 8.175 0.030 . 1 . . . . 121 ILE H . 11296 1 1464 . 1 1 121 121 ILE HA H 1 3.928 0.030 . 1 . . . . 121 ILE HA . 11296 1 1465 . 1 1 121 121 ILE HB H 1 1.935 0.030 . 1 . . . . 121 ILE HB . 11296 1 1466 . 1 1 121 121 ILE HD11 H 1 0.863 0.030 . 1 . . . . 121 ILE HD1 . 11296 1 1467 . 1 1 121 121 ILE HD12 H 1 0.863 0.030 . 1 . . . . 121 ILE HD1 . 11296 1 1468 . 1 1 121 121 ILE HD13 H 1 0.863 0.030 . 1 . . . . 121 ILE HD1 . 11296 1 1469 . 1 1 121 121 ILE HG12 H 1 1.760 0.030 . 2 . . . . 121 ILE HG12 . 11296 1 1470 . 1 1 121 121 ILE HG13 H 1 1.304 0.030 . 2 . . . . 121 ILE HG13 . 11296 1 1471 . 1 1 121 121 ILE HG21 H 1 0.952 0.030 . 1 . . . . 121 ILE HG2 . 11296 1 1472 . 1 1 121 121 ILE HG22 H 1 0.952 0.030 . 1 . . . . 121 ILE HG2 . 11296 1 1473 . 1 1 121 121 ILE HG23 H 1 0.952 0.030 . 1 . . . . 121 ILE HG2 . 11296 1 1474 . 1 1 121 121 ILE C C 13 177.947 0.300 . 1 . . . . 121 ILE C . 11296 1 1475 . 1 1 121 121 ILE CA C 13 63.887 0.300 . 1 . . . . 121 ILE CA . 11296 1 1476 . 1 1 121 121 ILE CB C 13 38.175 0.300 . 1 . . . . 121 ILE CB . 11296 1 1477 . 1 1 121 121 ILE CD1 C 13 14.692 0.300 . 1 . . . . 121 ILE CD1 . 11296 1 1478 . 1 1 121 121 ILE CG1 C 13 28.317 0.300 . 1 . . . . 121 ILE CG1 . 11296 1 1479 . 1 1 121 121 ILE CG2 C 13 17.967 0.300 . 1 . . . . 121 ILE CG2 . 11296 1 1480 . 1 1 121 121 ILE N N 15 118.715 0.300 . 1 . . . . 121 ILE N . 11296 1 1481 . 1 1 122 122 LEU H H 1 7.577 0.030 . 1 . . . . 122 LEU H . 11296 1 1482 . 1 1 122 122 LEU HA H 1 4.229 0.030 . 1 . . . . 122 LEU HA . 11296 1 1483 . 1 1 122 122 LEU HB2 H 1 1.832 0.030 . 2 . . . . 122 LEU HB2 . 11296 1 1484 . 1 1 122 122 LEU HB3 H 1 1.563 0.030 . 2 . . . . 122 LEU HB3 . 11296 1 1485 . 1 1 122 122 LEU HD11 H 1 0.725 0.030 . 1 . . . . 122 LEU HD1 . 11296 1 1486 . 1 1 122 122 LEU HD12 H 1 0.725 0.030 . 1 . . . . 122 LEU HD1 . 11296 1 1487 . 1 1 122 122 LEU HD13 H 1 0.725 0.030 . 1 . . . . 122 LEU HD1 . 11296 1 1488 . 1 1 122 122 LEU HD21 H 1 0.807 0.030 . 1 . . . . 122 LEU HD2 . 11296 1 1489 . 1 1 122 122 LEU HD22 H 1 0.807 0.030 . 1 . . . . 122 LEU HD2 . 11296 1 1490 . 1 1 122 122 LEU HD23 H 1 0.807 0.030 . 1 . . . . 122 LEU HD2 . 11296 1 1491 . 1 1 122 122 LEU HG H 1 1.840 0.030 . 1 . . . . 122 LEU HG . 11296 1 1492 . 1 1 122 122 LEU C C 13 177.644 0.300 . 1 . . . . 122 LEU C . 11296 1 1493 . 1 1 122 122 LEU CA C 13 56.038 0.300 . 1 . . . . 122 LEU CA . 11296 1 1494 . 1 1 122 122 LEU CB C 13 42.469 0.300 . 1 . . . . 122 LEU CB . 11296 1 1495 . 1 1 122 122 LEU CD1 C 13 25.548 0.300 . 2 . . . . 122 LEU CD1 . 11296 1 1496 . 1 1 122 122 LEU CD2 C 13 23.282 0.300 . 2 . . . . 122 LEU CD2 . 11296 1 1497 . 1 1 122 122 LEU CG C 13 26.398 0.300 . 1 . . . . 122 LEU CG . 11296 1 1498 . 1 1 122 122 LEU N N 15 118.646 0.300 . 1 . . . . 122 LEU N . 11296 1 1499 . 1 1 123 123 SER H H 1 7.801 0.030 . 1 . . . . 123 SER H . 11296 1 1500 . 1 1 123 123 SER HA H 1 4.503 0.030 . 1 . . . . 123 SER HA . 11296 1 1501 . 1 1 123 123 SER HB2 H 1 4.030 0.030 . 1 . . . . 123 SER HB2 . 11296 1 1502 . 1 1 123 123 SER HB3 H 1 4.030 0.030 . 1 . . . . 123 SER HB3 . 11296 1 1503 . 1 1 123 123 SER C C 13 174.353 0.300 . 1 . . . . 123 SER C . 11296 1 1504 . 1 1 123 123 SER CA C 13 59.586 0.300 . 1 . . . . 123 SER CA . 11296 1 1505 . 1 1 123 123 SER CB C 13 64.035 0.300 . 1 . . . . 123 SER CB . 11296 1 1506 . 1 1 123 123 SER N N 15 113.170 0.300 . 1 . . . . 123 SER N . 11296 1 1507 . 1 1 124 124 GLY H H 1 7.892 0.030 . 1 . . . . 124 GLY H . 11296 1 1508 . 1 1 124 124 GLY HA2 H 1 4.221 0.030 . 2 . . . . 124 GLY HA2 . 11296 1 1509 . 1 1 124 124 GLY HA3 H 1 4.126 0.030 . 2 . . . . 124 GLY HA3 . 11296 1 1510 . 1 1 124 124 GLY C C 13 171.597 0.300 . 1 . . . . 124 GLY C . 11296 1 1511 . 1 1 124 124 GLY CA C 13 44.969 0.300 . 1 . . . . 124 GLY CA . 11296 1 1512 . 1 1 124 124 GLY N N 15 109.619 0.300 . 1 . . . . 124 GLY N . 11296 1 1513 . 1 1 125 125 PRO HA H 1 4.515 0.030 . 1 . . . . 125 PRO HA . 11296 1 1514 . 1 1 125 125 PRO HB2 H 1 2.310 0.030 . 2 . . . . 125 PRO HB2 . 11296 1 1515 . 1 1 125 125 PRO HB3 H 1 1.990 0.030 . 2 . . . . 125 PRO HB3 . 11296 1 1516 . 1 1 125 125 PRO HD2 H 1 3.672 0.030 . 1 . . . . 125 PRO HD2 . 11296 1 1517 . 1 1 125 125 PRO HD3 H 1 3.672 0.030 . 1 . . . . 125 PRO HD3 . 11296 1 1518 . 1 1 125 125 PRO HG2 H 1 2.035 0.030 . 1 . . . . 125 PRO HG2 . 11296 1 1519 . 1 1 125 125 PRO HG3 H 1 2.035 0.030 . 1 . . . . 125 PRO HG3 . 11296 1 1520 . 1 1 125 125 PRO CA C 13 63.209 0.300 . 1 . . . . 125 PRO CA . 11296 1 1521 . 1 1 125 125 PRO CB C 13 32.221 0.300 . 1 . . . . 125 PRO CB . 11296 1 1522 . 1 1 125 125 PRO CD C 13 49.918 0.300 . 1 . . . . 125 PRO CD . 11296 1 1523 . 1 1 125 125 PRO CG C 13 27.215 0.300 . 1 . . . . 125 PRO CG . 11296 1 1524 . 1 1 126 126 SER H H 1 8.579 0.030 . 1 . . . . 126 SER H . 11296 1 1525 . 1 1 126 126 SER CA C 13 58.533 0.300 . 1 . . . . 126 SER CA . 11296 1 1526 . 1 1 126 126 SER CB C 13 63.890 0.300 . 1 . . . . 126 SER CB . 11296 1 1527 . 1 1 126 126 SER N N 15 116.646 0.300 . 1 . . . . 126 SER N . 11296 1 stop_ save_