data_26992 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26992 _Entry.Title ; Isolated voltage-sensing domain from second subunit of human sodium channel Nav1.4 in the LPPG micelles, N-formilated form ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-01-09 _Entry.Accession_date 2017-01-09 _Entry.Last_release_date 2017-01-09 _Entry.Original_release_date 2017-01-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Voltage-sensing domain from second subunit of human sodium channel Nav1.4 with N-terminal formyl group.' _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.ORCID _Entry_author.Entry_ID 1 Mikhail Myshkin . Yu. . . 26992 2 Alexander Paramonov . S. . . 26992 3 Alexander Arseniev . S. . . 26992 4 Zakhar Shenkarev . O. . . 26992 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 1 'not applicable' 'not applicable' . 26992 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Group of structural biology of ionic channels, Shemyakin-Ovchinnikov Institute of Bioorganic Chemistry' . 26992 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26992 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 503 26992 '15N chemical shifts' 149 26992 '1H chemical shifts' 887 26992 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 . . 2017-01-19 . original BMRB . 26992 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26993 'Nav1.4 with N-terminal formyl group' 26992 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26992 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28065835 _Citation.Full_citation . _Citation.Title ; NMR investigation of the isolated second voltage-sensing domain of human Nav1.4 channel ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta' _Citation.Journal_name_full . _Citation.Journal_volume 1859 _Citation.Journal_issue 3 _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 493 _Citation.Page_last 506 _Citation.Year 2017 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Alexander Paramonov . S. . . 26992 1 2 Ekaterina Lyukmanova . N. . . 26992 1 3 Mikhail Myshkin . Yu. . . 26992 1 4 Mikhail Shulepko . A. . . 26992 1 5 Dmitrii Kulbatskii . S. . . 26992 1 6 Nikolay Petrosian . S. . . 26992 1 7 Anton Chugunov . O. . . 26992 1 8 Dmitrii Dolgikh . A. . . 26992 1 9 Mikhail Kirpichnikov . P. . . 26992 1 10 Alexander Arseniev . S. . . 26992 1 11 Zakhar Shenkarev . O. . . 26992 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR spectroscopy' 26992 1 'Na+ channels' 26992 1 'cell-free expression' 26992 1 'voltage-sensing domain' 26992 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26992 _Assembly.ID 1 _Assembly.Name NavII _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 17473 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 NavIIform 1 $Nav1.4-II A . yes native yes no . . . 26992 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Nav1.4-II _Entity.Sf_category entity _Entity.Sf_framecode Nav1.4-II _Entity.Entry_ID 26992 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Nav1.4-II _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; XGKVLIWNSSAPWLKFKNII HLIVMDPFVDLGITISIVLN TLFMAMEHYPMTEHFDNVLT VGNLVFTGIFTAEMVLKLIA MDPYEYFQQGWNIFDSIIVT LSLVELGLANVQGLSVLRSF RLLRVFKLAKSWPTLNMLIK IIGNSGSHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'residues 3-145 of molecule correspond to residues 554-696 of full-length Nav1.4 channel' _Entity.Polymer_author_seq_details ; N-terminal formyl group. 6-His tag at the C-terminus. ; _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 153 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'voltage-sensing domain of II subunit' _Entity.Mutation 'C9S C10S C36S' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . yes UNP P35499 . . . . . . . . . . . . . . . . 26992 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'ionic channel' 26992 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 . FME . 26992 1 2 . GLY . 26992 1 3 . LYS . 26992 1 4 . VAL . 26992 1 5 . LEU . 26992 1 6 . ILE . 26992 1 7 . TRP . 26992 1 8 . ASN . 26992 1 9 . SER . 26992 1 10 . SER . 26992 1 11 . ALA . 26992 1 12 . PRO . 26992 1 13 . TRP . 26992 1 14 . LEU . 26992 1 15 . LYS . 26992 1 16 . PHE . 26992 1 17 . LYS . 26992 1 18 . ASN . 26992 1 19 . ILE . 26992 1 20 . ILE . 26992 1 21 . HIS . 26992 1 22 . LEU . 26992 1 23 . ILE . 26992 1 24 . VAL . 26992 1 25 . MET . 26992 1 26 . ASP . 26992 1 27 . PRO . 26992 1 28 . PHE . 26992 1 29 . VAL . 26992 1 30 . ASP . 26992 1 31 . LEU . 26992 1 32 . GLY . 26992 1 33 . ILE . 26992 1 34 . THR . 26992 1 35 . ILE . 26992 1 36 . SER . 26992 1 37 . ILE . 26992 1 38 . VAL . 26992 1 39 . LEU . 26992 1 40 . ASN . 26992 1 41 . THR . 26992 1 42 . LEU . 26992 1 43 . PHE . 26992 1 44 . MET . 26992 1 45 . ALA . 26992 1 46 . MET . 26992 1 47 . GLU . 26992 1 48 . HIS . 26992 1 49 . TYR . 26992 1 50 . PRO . 26992 1 51 . MET . 26992 1 52 . THR . 26992 1 53 . GLU . 26992 1 54 . HIS . 26992 1 55 . PHE . 26992 1 56 . ASP . 26992 1 57 . ASN . 26992 1 58 . VAL . 26992 1 59 . LEU . 26992 1 60 . THR . 26992 1 61 . VAL . 26992 1 62 . GLY . 26992 1 63 . ASN . 26992 1 64 . LEU . 26992 1 65 . VAL . 26992 1 66 . PHE . 26992 1 67 . THR . 26992 1 68 . GLY . 26992 1 69 . ILE . 26992 1 70 . PHE . 26992 1 71 . THR . 26992 1 72 . ALA . 26992 1 73 . GLU . 26992 1 74 . MET . 26992 1 75 . VAL . 26992 1 76 . LEU . 26992 1 77 . LYS . 26992 1 78 . LEU . 26992 1 79 . ILE . 26992 1 80 . ALA . 26992 1 81 . MET . 26992 1 82 . ASP . 26992 1 83 . PRO . 26992 1 84 . TYR . 26992 1 85 . GLU . 26992 1 86 . TYR . 26992 1 87 . PHE . 26992 1 88 . GLN . 26992 1 89 . GLN . 26992 1 90 . GLY . 26992 1 91 . TRP . 26992 1 92 . ASN . 26992 1 93 . ILE . 26992 1 94 . PHE . 26992 1 95 . ASP . 26992 1 96 . SER . 26992 1 97 . ILE . 26992 1 98 . ILE . 26992 1 99 . VAL . 26992 1 100 . THR . 26992 1 101 . LEU . 26992 1 102 . SER . 26992 1 103 . LEU . 26992 1 104 . VAL . 26992 1 105 . GLU . 26992 1 106 . LEU . 26992 1 107 . GLY . 26992 1 108 . LEU . 26992 1 109 . ALA . 26992 1 110 . ASN . 26992 1 111 . VAL . 26992 1 112 . GLN . 26992 1 113 . GLY . 26992 1 114 . LEU . 26992 1 115 . SER . 26992 1 116 . VAL . 26992 1 117 . LEU . 26992 1 118 . ARG . 26992 1 119 . SER . 26992 1 120 . PHE . 26992 1 121 . ARG . 26992 1 122 . LEU . 26992 1 123 . LEU . 26992 1 124 . ARG . 26992 1 125 . VAL . 26992 1 126 . PHE . 26992 1 127 . LYS . 26992 1 128 . LEU . 26992 1 129 . ALA . 26992 1 130 . LYS . 26992 1 131 . SER . 26992 1 132 . TRP . 26992 1 133 . PRO . 26992 1 134 . THR . 26992 1 135 . LEU . 26992 1 136 . ASN . 26992 1 137 . MET . 26992 1 138 . LEU . 26992 1 139 . ILE . 26992 1 140 . LYS . 26992 1 141 . ILE . 26992 1 142 . ILE . 26992 1 143 . GLY . 26992 1 144 . ASN . 26992 1 145 . SER . 26992 1 146 . GLY . 26992 1 147 . SER . 26992 1 148 . HIS . 26992 1 149 . HIS . 26992 1 150 . HIS . 26992 1 151 . HIS . 26992 1 152 . HIS . 26992 1 153 . HIS . 26992 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 . FME 1 1 26992 1 . GLY 2 2 26992 1 . LYS 3 3 26992 1 . VAL 4 4 26992 1 . LEU 5 5 26992 1 . ILE 6 6 26992 1 . TRP 7 7 26992 1 . ASN 8 8 26992 1 . SER 9 9 26992 1 . SER 10 10 26992 1 . ALA 11 11 26992 1 . PRO 12 12 26992 1 . TRP 13 13 26992 1 . LEU 14 14 26992 1 . LYS 15 15 26992 1 . PHE 16 16 26992 1 . LYS 17 17 26992 1 . ASN 18 18 26992 1 . ILE 19 19 26992 1 . ILE 20 20 26992 1 . HIS 21 21 26992 1 . LEU 22 22 26992 1 . ILE 23 23 26992 1 . VAL 24 24 26992 1 . MET 25 25 26992 1 . ASP 26 26 26992 1 . PRO 27 27 26992 1 . PHE 28 28 26992 1 . VAL 29 29 26992 1 . ASP 30 30 26992 1 . LEU 31 31 26992 1 . GLY 32 32 26992 1 . ILE 33 33 26992 1 . THR 34 34 26992 1 . ILE 35 35 26992 1 . SER 36 36 26992 1 . ILE 37 37 26992 1 . VAL 38 38 26992 1 . LEU 39 39 26992 1 . ASN 40 40 26992 1 . THR 41 41 26992 1 . LEU 42 42 26992 1 . PHE 43 43 26992 1 . MET 44 44 26992 1 . ALA 45 45 26992 1 . MET 46 46 26992 1 . GLU 47 47 26992 1 . HIS 48 48 26992 1 . TYR 49 49 26992 1 . PRO 50 50 26992 1 . MET 51 51 26992 1 . THR 52 52 26992 1 . GLU 53 53 26992 1 . HIS 54 54 26992 1 . PHE 55 55 26992 1 . ASP 56 56 26992 1 . ASN 57 57 26992 1 . VAL 58 58 26992 1 . LEU 59 59 26992 1 . THR 60 60 26992 1 . VAL 61 61 26992 1 . GLY 62 62 26992 1 . ASN 63 63 26992 1 . LEU 64 64 26992 1 . VAL 65 65 26992 1 . PHE 66 66 26992 1 . THR 67 67 26992 1 . GLY 68 68 26992 1 . ILE 69 69 26992 1 . PHE 70 70 26992 1 . THR 71 71 26992 1 . ALA 72 72 26992 1 . GLU 73 73 26992 1 . MET 74 74 26992 1 . VAL 75 75 26992 1 . LEU 76 76 26992 1 . LYS 77 77 26992 1 . LEU 78 78 26992 1 . ILE 79 79 26992 1 . ALA 80 80 26992 1 . MET 81 81 26992 1 . ASP 82 82 26992 1 . PRO 83 83 26992 1 . TYR 84 84 26992 1 . GLU 85 85 26992 1 . TYR 86 86 26992 1 . PHE 87 87 26992 1 . GLN 88 88 26992 1 . GLN 89 89 26992 1 . GLY 90 90 26992 1 . TRP 91 91 26992 1 . ASN 92 92 26992 1 . ILE 93 93 26992 1 . PHE 94 94 26992 1 . ASP 95 95 26992 1 . SER 96 96 26992 1 . ILE 97 97 26992 1 . ILE 98 98 26992 1 . VAL 99 99 26992 1 . THR 100 100 26992 1 . LEU 101 101 26992 1 . SER 102 102 26992 1 . LEU 103 103 26992 1 . VAL 104 104 26992 1 . GLU 105 105 26992 1 . LEU 106 106 26992 1 . GLY 107 107 26992 1 . LEU 108 108 26992 1 . ALA 109 109 26992 1 . ASN 110 110 26992 1 . VAL 111 111 26992 1 . GLN 112 112 26992 1 . GLY 113 113 26992 1 . LEU 114 114 26992 1 . SER 115 115 26992 1 . VAL 116 116 26992 1 . LEU 117 117 26992 1 . ARG 118 118 26992 1 . SER 119 119 26992 1 . PHE 120 120 26992 1 . ARG 121 121 26992 1 . LEU 122 122 26992 1 . LEU 123 123 26992 1 . ARG 124 124 26992 1 . VAL 125 125 26992 1 . PHE 126 126 26992 1 . LYS 127 127 26992 1 . LEU 128 128 26992 1 . ALA 129 129 26992 1 . LYS 130 130 26992 1 . SER 131 131 26992 1 . TRP 132 132 26992 1 . PRO 133 133 26992 1 . THR 134 134 26992 1 . LEU 135 135 26992 1 . ASN 136 136 26992 1 . MET 137 137 26992 1 . LEU 138 138 26992 1 . ILE 139 139 26992 1 . LYS 140 140 26992 1 . ILE 141 141 26992 1 . ILE 142 142 26992 1 . GLY 143 143 26992 1 . ASN 144 144 26992 1 . SER 145 145 26992 1 . GLY 146 146 26992 1 . SER 147 147 26992 1 . HIS 148 148 26992 1 . HIS 149 149 26992 1 . HIS 150 150 26992 1 . HIS 151 151 26992 1 . HIS 152 152 26992 1 . HIS 153 153 26992 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 26992 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Nav1.4-II . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26992 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 26992 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Nav1.4-II . 'cell free synthesis' 'E. coli - cell free' . . . . . . . . . . . pIVEX2.3d . . . 26992 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_FME _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_FME _Chem_comp.Entry_ID 26992 _Chem_comp.ID FME _Chem_comp.Provenance PDB _Chem_comp.Name N-FORMYLMETHIONINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code FME _Chem_comp.PDB_code FME _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code M _Chem_comp.Three_letter_code FME _Chem_comp.Number_atoms_all 22 _Chem_comp.Number_atoms_nh 11 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID MET _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C6 H11 N O3 S' _Chem_comp.Formula_weight 177.221 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1BQ9 _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CSCCC(C(=O)O)NC=O SMILES 'OpenEye OEToolkits' 1.5.0 26992 FME CSCC[C@@H](C(=O)O)NC=O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 26992 FME CSCC[C@H](NC=O)C(O)=O SMILES_CANONICAL CACTVS 3.341 26992 FME CSCC[CH](NC=O)C(O)=O SMILES CACTVS 3.341 26992 FME InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1 InChI InChI 1.03 26992 FME O=CNC(C(=O)O)CCSC SMILES ACDLabs 10.04 26992 FME PYUSHNKNPOHWEZ-YFKPBYRVSA-N InChIKey InChI 1.03 26992 FME stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S)-2-formamido-4-methylsulfanyl-butanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 26992 FME N-formyl-L-methionine 'SYSTEMATIC NAME' ACDLabs 10.04 26992 FME stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . 23.447 . -5.765 . 5.119 . 0.999 0.704 -1.069 1 . 26992 FME CN CN CN CN . C . . N 0 . . . 1 no no . . . . 23.308 . -6.776 . 4.291 . 2.093 0.373 -1.783 2 . 26992 FME O1 O1 O1 O1 . O . . N 0 . . . 1 no no . . . . 22.504 . -6.713 . 3.357 . 2.179 -0.727 -2.285 3 . 26992 FME CA CA CA CA . C . . S 0 . . . 1 no no . . . . 22.488 . -4.745 . 5.410 . -0.086 -0.264 -0.900 4 . 26992 FME CB CB CB CB . C . . N 0 . . . 1 no no . . . . 22.433 . -4.342 . 6.827 . -0.785 -0.018 0.437 5 . 26992 FME CG CG CG CG . C . . N 0 . . . 1 no no . . . . 22.198 . -5.618 . 7.751 . 0.222 -0.179 1.576 6 . 26992 FME SD SD SD SD . S . . N 0 . . . 1 no no . . . . 20.445 . -6.032 . 7.772 . -0.606 0.111 3.164 7 . 26992 FME CE CE CE CE . C . . N 0 . . . 1 no no . . . . 20.476 . -7.587 . 8.656 . 0.787 -0.138 4.297 8 . 26992 FME C C C C . C . . N 0 . . . 1 no no . . . . 22.699 . -3.530 . 4.487 . -1.080 -0.105 -2.023 9 . 26992 FME O O O O . O . . N 0 . . . 1 no no . . . . 23.804 . -3.248 . 4.077 . -1.712 -1.059 -2.408 10 . 26992 FME OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 21.633 . -2.939 . 4.043 . -1.261 1.095 -2.593 11 . 26992 FME H H H HN . H . . N 0 . . . 1 no no . . . . 24.363 . -5.772 . 5.567 . 0.930 1.584 -0.667 12 . 26992 FME HCN HCN HCN HCN . H . . N 0 . . . 1 no no . . . . 23.886 . -7.710 . 4.383 . 2.893 1.087 -1.907 13 . 26992 FME HA HA HA HA . H . . N 0 . . . 1 no no . . . . 21.489 . -5.197 . 5.204 . 0.322 -1.274 -0.917 14 . 26992 FME HB2 HB2 HB2 1HB . H . . N 0 . . . 1 no no . . . . 23.338 . -3.766 . 7.132 . -1.593 -0.739 0.563 15 . 26992 FME HB3 HB3 HB3 2HB . H . . N 0 . . . 1 no no . . . . 21.668 . -3.550 . 7.006 . -1.194 0.991 0.454 16 . 26992 FME HG2 HG2 HG2 1HG . H . . N 0 . . . 1 no no . . . . 22.831 . -6.482 . 7.443 . 1.030 0.541 1.451 17 . 26992 FME HG3 HG3 HG3 2HG . H . . N 0 . . . 1 no no . . . . 22.609 . -5.475 . 8.777 . 0.631 -1.190 1.560 18 . 26992 FME HE1 HE1 HE1 1HE . H . . N 0 . . . 1 no no . . . . 19.390 . -7.843 . 8.669 . 0.450 0.003 5.324 19 . 26992 FME HE2 HE2 HE2 2HE . H . . N 0 . . . 1 no no . . . . 21.148 . -8.367 . 8.230 . 1.174 -1.150 4.179 20 . 26992 FME HE3 HE3 HE3 3HE . H . . N 0 . . . 1 no no . . . . 20.975 . -7.562 . 9.652 . 1.574 0.580 4.070 21 . 26992 FME HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 21.763 . -2.189 . 3.473 . -1.899 1.197 -3.313 22 . 26992 FME stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CN no N 1 . 26992 FME 2 . SING N CA no N 2 . 26992 FME 3 . SING N H no N 3 . 26992 FME 4 . DOUB CN O1 no N 4 . 26992 FME 5 . SING CN HCN no N 5 . 26992 FME 6 . SING CA CB no N 6 . 26992 FME 7 . SING CA C no N 7 . 26992 FME 8 . SING CA HA no N 8 . 26992 FME 9 . SING CB CG no N 9 . 26992 FME 10 . SING CB HB2 no N 10 . 26992 FME 11 . SING CB HB3 no N 11 . 26992 FME 12 . SING CG SD no N 12 . 26992 FME 13 . SING CG HG2 no N 13 . 26992 FME 14 . SING CG HG3 no N 14 . 26992 FME 15 . SING SD CE no N 15 . 26992 FME 16 . SING CE HE1 no N 16 . 26992 FME 17 . SING CE HE2 no N 17 . 26992 FME 18 . SING CE HE3 no N 18 . 26992 FME 19 . DOUB C O no N 19 . 26992 FME 20 . SING C OXT no N 20 . 26992 FME 21 . SING OXT HXT no N 21 . 26992 FME stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26992 _Sample.ID 1 _Sample.Type micelle _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 Nav1.4-II '[U-99% 13C; U-99% 15N]' . . 1 $Nav1.4-II . . 0.6 . . mM . . . . 26992 1 2 LPPG 'natural abundance' . . . . . . 5 . . % . . . . 26992 1 stop_ save_ save_Sel1_CN-Ile _Sample.Sf_category sample _Sample.Sf_framecode Sel1_CN-Ile _Sample.Entry_ID 26992 _Sample.ID 2 _Sample.Type micelle _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 Nav1.4-II '[U-13C; U-15N]-Ile' . . 1 $Nav1.4-II . . 0.1 . . mM . . . . 26992 2 2 LPPG 'natural abundance' . . . . . . 5 . . % . . . . 26992 2 stop_ save_ save_Sel2_Leu_Val _Sample.Sf_category sample _Sample.Sf_framecode Sel2_Leu_Val _Sample.Entry_ID 26992 _Sample.ID 3 _Sample.Type micelle _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 Nav1.4-II '[U-15N]-Leu; [13C(1)]-Val' . . 1 $Nav1.4-II . . 0.1 . . mM . . . . 26992 3 2 LPPG 'natural abundance' . . . . . . 5 . . % . . . . 26992 3 stop_ save_ save_Sel3_TIFW _Sample.Sf_category sample _Sample.Sf_framecode Sel3_TIFW _Sample.Entry_ID 26992 _Sample.ID 4 _Sample.Type micelle _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 Nav1.4-II '[U-15N]-Thr; [13C(1)]-Ile; [13C(1)]-Phe; [U-13C; U-15N]-Trp]' . . 1 $Nav1.4-II . . 0.1 . . mM . . . . 26992 4 2 LPPG 'natural abundance' . . . . . . 5 . . % . . . . 26992 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 26992 _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' 0.02 . M 26992 1 pH 6.0 . pH 26992 1 pressure 1 . atm 26992 1 temperature 318 . K 26992 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26992 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26992 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26992 1 processing 26992 1 stop_ save_ save_MDDNMR _Software.Sf_category software _Software.Sf_framecode MDDNMR _Software.Entry_ID 26992 _Software.ID 2 _Software.Name MDDNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Vladislav Orekhov, Maxim Mayzel' . vladislav.orekhov@nmr.gu.se 26992 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26992 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 26992 _Software.ID 3 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Rochus Keller' . . 26992 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26992 3 'peak picking' 26992 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_800 _NMR_spectrometer.Entry_ID 26992 _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 26992 _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_800 Bruker Avance . 800 . . . 26992 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 26992 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_800 . . . . . . . . . . . . . . . . 26992 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_800 . . . . . . . . . . . . . . . . 26992 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_800 . . . . . . . . . . . . . . . . 26992 1 4 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_800 . . . . . . . . . . . . . . . . 26992 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_800 . . . . . . . . . . . . . . . . 26992 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_800 . . . . . . . . . . . . . . . . 26992 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_800 . . . . . . . . . . . . . . . . 26992 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_800 . . . . . . . . . . . . . . . . 26992 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_800 . . . . . . . . . . . . . . . . 26992 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_800 . . . . . . . . . . . . . . . . 26992 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_800 . . . . . . . . . . . . . . . . 26992 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $Sel1_CN-Ile isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_800 . . . . . . . . . . . . . . . . 26992 1 13 '2D HNCO 1H-15N' no . . . . . . . . . . 2 $Sel1_CN-Ile isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_800 . . . . . . . . . . . . . . . . 26992 1 14 '2D HNCA 1H-15N' no . . . . . . . . . . 2 $Sel1_CN-Ile isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_800 . . . . . . . . . . . . . . . . 26992 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $Sel1_CN-Ile isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_800 . . . . . . . . . . . . . . . . 26992 1 16 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $Sel2_Leu_Val isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_800 . . . . . . . . . . . . . . . . 26992 1 17 '2D HNCO 1H-15N' no . . . . . . . . . . 3 $Sel2_Leu_Val isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_800 . . . . . . . . . . . . . . . . 26992 1 18 '2D HNCA 1H-15N' no . . . . . . . . . . 3 $Sel2_Leu_Val isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_800 . . . . . . . . . . . . . . . . 26992 1 19 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $Sel3_TIFW isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_800 . . . . . . . . . . . . . . . . 26992 1 20 '2D HNCO 1H-15N' no . . . . . . . . . . 4 $Sel3_TIFW isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_800 . . . . . . . . . . . . . . . . 26992 1 21 '2D HNCA 1H-15N' no . . . . . . . . . . 4 $Sel3_TIFW isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_800 . . . . . . . . . . . . . . . . 26992 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26992 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . 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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TMS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26992 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26992 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26992 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_assigned_chem_shift_list_1_formil _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1_formil _Assigned_chem_shift_list.Entry_ID 26992 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.005 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 ; All 13C resonances referencing were done respectively TMS (which 13C signal was taken as 0ppm). To align the shifts with DSS referencing, all 13C shifts need to be subtracted 2.66ppm. ; _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 2 '2D 1H-13C HSQC' . . . 26992 1 3 '3D HNCO' . . . 26992 1 7 '3D HNCACB' . . . 26992 1 10 '3D HCCH-TOCSY' . . . 26992 1 14 '2D HNCA 1H-15N' . . . 26992 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 3 $CARA . . 26992 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 1 1 FME H H 1 8.748 0.020 . 1 . . . . 1 MET H . 26992 1 2 . 1 1 1 1 FME HA H 1 4.490 0.020 . 1 . . . . 1 MET HA . 26992 1 3 . 1 1 1 1 FME HB2 H 1 2.170 0.020 . 2 . . . . 1 MET HB2 . 26992 1 4 . 1 1 1 1 FME HB3 H 1 2.170 0.020 . 2 . . . . 1 MET HB3 . 26992 1 5 . 1 1 1 1 FME HG2 H 1 2.676 0.020 . 2 . . . . 1 MET HG2 . 26992 1 6 . 1 1 1 1 FME HG3 H 1 2.676 0.020 . 2 . . . . 1 MET HG3 . 26992 1 7 . 1 1 1 1 FME C C 13 174.209 0.400 . 1 . . . . 1 MET C . 26992 1 8 . 1 1 1 1 FME CA C 13 52.892 0.400 . 1 . . . . 1 MET CA . 26992 1 9 . 1 1 1 1 FME CB C 13 30.308 0.400 . 1 . . . . 1 MET CB . 26992 1 10 . 1 1 1 1 FME N N 15 127.958 0.400 . 1 . . . . 1 MET N . 26992 1 11 . 1 1 2 2 GLY H H 1 8.786 0.020 . 1 . . . . 2 GLY H . 26992 1 12 . 1 1 2 2 GLY HA2 H 1 4.021 0.020 . 2 . . . . 2 GLY HA2 . 26992 1 13 . 1 1 2 2 GLY HA3 H 1 3.969 0.020 . 2 . . . . 2 GLY HA3 . 26992 1 14 . 1 1 2 2 GLY C C 13 172.383 0.400 . 1 . . . . 2 GLY C . 26992 1 15 . 1 1 2 2 GLY CA C 13 43.846 0.400 . 1 . . . . 2 GLY CA . 26992 1 16 . 1 1 2 2 GLY N N 15 107.701 0.400 . 1 . . . . 2 GLY N . 26992 1 17 . 1 1 3 3 LYS H H 1 7.938 0.020 . 1 . . . . 3 LYS H . 26992 1 18 . 1 1 3 3 LYS HA H 1 4.294 0.020 . 1 . . . . 3 LYS HA . 26992 1 19 . 1 1 3 3 LYS HB2 H 1 1.876 0.020 . 2 . . . . 3 LYS HB2 . 26992 1 20 . 1 1 3 3 LYS HB3 H 1 1.876 0.020 . 2 . . . . 3 LYS HB3 . 26992 1 21 . 1 1 3 3 LYS C C 13 174.348 0.400 . 1 . . . . 3 LYS C . 26992 1 22 . 1 1 3 3 LYS CA C 13 54.850 0.400 . 1 . . . . 3 LYS CA . 26992 1 23 . 1 1 3 3 LYS CB C 13 29.995 0.400 . 1 . . . . 3 LYS CB . 26992 1 24 . 1 1 3 3 LYS N N 15 119.311 0.400 . 1 . . . . 3 LYS N . 26992 1 25 . 1 1 4 4 VAL H H 1 7.716 0.020 . 1 . . . . 4 VAL H . 26992 1 26 . 1 1 4 4 VAL HA H 1 4.047 0.020 . 1 . . . . 4 VAL HA . 26992 1 27 . 1 1 4 4 VAL HB H 1 2.285 0.020 . 1 . . . . 4 VAL HB . 26992 1 28 . 1 1 4 4 VAL HG11 H 1 1.089 0.020 . 2 . . . . 4 VAL HG11 . 26992 1 29 . 1 1 4 4 VAL HG12 H 1 1.089 0.020 . 2 . . . . 4 VAL HG12 . 26992 1 30 . 1 1 4 4 VAL HG13 H 1 1.089 0.020 . 2 . . . . 4 VAL HG13 . 26992 1 31 . 1 1 4 4 VAL HG21 H 1 1.037 0.020 . 2 . . . . 4 VAL HG21 . 26992 1 32 . 1 1 4 4 VAL HG22 H 1 1.037 0.020 . 2 . . . . 4 VAL HG22 . 26992 1 33 . 1 1 4 4 VAL HG23 H 1 1.037 0.020 . 2 . . . . 4 VAL HG23 . 26992 1 34 . 1 1 4 4 VAL C C 13 173.339 0.400 . 1 . . . . 4 VAL C . 26992 1 35 . 1 1 4 4 VAL CA C 13 60.984 0.400 . 1 . . . . 4 VAL CA . 26992 1 36 . 1 1 4 4 VAL CB C 13 29.687 0.400 . 1 . . . . 4 VAL CB . 26992 1 37 . 1 1 4 4 VAL CG1 C 13 18.772 0.400 . 2 . . . . 4 VAL CG1 . 26992 1 38 . 1 1 4 4 VAL N N 15 116.450 0.400 . 1 . . . . 4 VAL N . 26992 1 39 . 1 1 5 5 LEU H H 1 7.808 0.020 . 1 . . . . 5 LEU H . 26992 1 40 . 1 1 5 5 LEU HA H 1 4.315 0.020 . 1 . . . . 5 LEU HA . 26992 1 41 . 1 1 5 5 LEU HB2 H 1 1.794 0.020 . 2 . . . . 5 LEU HB2 . 26992 1 42 . 1 1 5 5 LEU HB3 H 1 1.794 0.020 . 2 . . . . 5 LEU HB3 . 26992 1 43 . 1 1 5 5 LEU HG H 1 1.578 0.020 . 1 . . . . 5 LEU HG . 26992 1 44 . 1 1 5 5 LEU HD11 H 1 0.942 0.020 . 2 . . . . 5 LEU HD11 . 26992 1 45 . 1 1 5 5 LEU HD12 H 1 0.942 0.020 . 2 . . . . 5 LEU HD12 . 26992 1 46 . 1 1 5 5 LEU HD13 H 1 0.942 0.020 . 2 . . . . 5 LEU HD13 . 26992 1 47 . 1 1 5 5 LEU HD21 H 1 1.010 0.020 . 2 . . . . 5 LEU HD21 . 26992 1 48 . 1 1 5 5 LEU HD22 H 1 1.010 0.020 . 2 . . . . 5 LEU HD22 . 26992 1 49 . 1 1 5 5 LEU HD23 H 1 1.010 0.020 . 2 . . . . 5 LEU HD23 . 26992 1 50 . 1 1 5 5 LEU C C 13 174.800 0.400 . 1 . . . . 5 LEU C . 26992 1 51 . 1 1 5 5 LEU CA C 13 53.046 0.400 . 1 . . . . 5 LEU CA . 26992 1 52 . 1 1 5 5 LEU CB C 13 39.003 0.400 . 1 . . . . 5 LEU CB . 26992 1 53 . 1 1 5 5 LEU N N 15 120.215 0.400 . 1 . . . . 5 LEU N . 26992 1 54 . 1 1 6 6 ILE H H 1 7.559 0.020 . 1 . . . . 6 ILE H . 26992 1 55 . 1 1 6 6 ILE HA H 1 4.173 0.020 . 1 . . . . 6 ILE HA . 26992 1 56 . 1 1 6 6 ILE HB H 1 1.953 0.020 . 1 . . . . 6 ILE HB . 26992 1 57 . 1 1 6 6 ILE HG12 H 1 1.170 0.020 . 2 . . . . 6 ILE HG12 . 26992 1 58 . 1 1 6 6 ILE HG13 H 1 1.427 0.020 . 2 . . . . 6 ILE HG13 . 26992 1 59 . 1 1 6 6 ILE HG21 H 1 0.878 0.020 . 1 . . . . 6 ILE HG21 . 26992 1 60 . 1 1 6 6 ILE HG22 H 1 0.878 0.020 . 1 . . . . 6 ILE HG22 . 26992 1 61 . 1 1 6 6 ILE HG23 H 1 0.878 0.020 . 1 . . . . 6 ILE HG23 . 26992 1 62 . 1 1 6 6 ILE HD11 H 1 0.881 0.020 . 1 . . . . 6 ILE HD11 . 26992 1 63 . 1 1 6 6 ILE HD12 H 1 0.881 0.020 . 1 . . . . 6 ILE HD12 . 26992 1 64 . 1 1 6 6 ILE HD13 H 1 0.881 0.020 . 1 . . . . 6 ILE HD13 . 26992 1 65 . 1 1 6 6 ILE C C 13 173.779 0.400 . 1 . . . . 6 ILE C . 26992 1 66 . 1 1 6 6 ILE CA C 13 59.515 0.400 . 1 . . . . 6 ILE CA . 26992 1 67 . 1 1 6 6 ILE CB C 13 35.662 0.400 . 1 . . . . 6 ILE CB . 26992 1 68 . 1 1 6 6 ILE CG1 C 13 24.656 0.400 . 1 . . . . 6 ILE CG1 . 26992 1 69 . 1 1 6 6 ILE CG2 C 13 15.021 0.400 . 1 . . . . 6 ILE CG2 . 26992 1 70 . 1 1 6 6 ILE CD1 C 13 10.667 0.400 . 1 . . . . 6 ILE CD1 . 26992 1 71 . 1 1 6 6 ILE N N 15 117.695 0.400 . 1 . . . . 6 ILE N . 26992 1 72 . 1 1 7 7 TRP H H 1 7.876 0.020 . 1 . . . . 7 TRP H . 26992 1 73 . 1 1 7 7 TRP HA H 1 4.181 0.020 . 1 . . . . 7 TRP HA . 26992 1 74 . 1 1 7 7 TRP HB2 H 1 3.366 0.020 . 2 . . . . 7 TRP HB2 . 26992 1 75 . 1 1 7 7 TRP HB3 H 1 3.366 0.020 . 2 . . . . 7 TRP HB3 . 26992 1 76 . 1 1 7 7 TRP HD1 H 1 7.311 0.020 . 1 . . . . 7 TRP HD1 . 26992 1 77 . 1 1 7 7 TRP HE1 H 1 10.087 0.020 . 1 . . . . 7 TRP HE1 . 26992 1 78 . 1 1 7 7 TRP HZ2 H 1 7.455 0.020 . 1 . . . . 7 TRP HZ2 . 26992 1 79 . 1 1 7 7 TRP C C 13 173.704 0.400 . 1 . . . . 7 TRP C . 26992 1 80 . 1 1 7 7 TRP CA C 13 55.237 0.400 . 1 . . . . 7 TRP CA . 26992 1 81 . 1 1 7 7 TRP CB C 13 26.748 0.400 . 1 . . . . 7 TRP CB . 26992 1 82 . 1 1 7 7 TRP N N 15 121.817 0.400 . 1 . . . . 7 TRP N . 26992 1 83 . 1 1 7 7 TRP NE1 N 15 128.886 0.400 . 1 . . . . 7 TRP NE1 . 26992 1 84 . 1 1 8 8 ASN H H 1 8.097 0.020 . 1 . . . . 8 ASN H . 26992 1 85 . 1 1 8 8 ASN HA H 1 4.387 0.020 . 1 . . . . 8 ASN HA . 26992 1 86 . 1 1 8 8 ASN HB2 H 1 2.810 0.020 . 2 . . . . 8 ASN HB2 . 26992 1 87 . 1 1 8 8 ASN HB3 H 1 2.810 0.020 . 2 . . . . 8 ASN HB3 . 26992 1 88 . 1 1 8 8 ASN HD21 H 1 7.574 0.020 . 2 . . . . 8 ASN HD21 . 26992 1 89 . 1 1 8 8 ASN HD22 H 1 6.821 0.020 . 2 . . . . 8 ASN HD22 . 26992 1 90 . 1 1 8 8 ASN C C 13 172.727 0.400 . 1 . . . . 8 ASN C . 26992 1 91 . 1 1 8 8 ASN CA C 13 51.423 0.400 . 1 . . . . 8 ASN CA . 26992 1 92 . 1 1 8 8 ASN CB C 13 36.252 0.400 . 1 . . . . 8 ASN CB . 26992 1 93 . 1 1 8 8 ASN N N 15 118.550 0.400 . 1 . . . . 8 ASN N . 26992 1 94 . 1 1 8 8 ASN ND2 N 15 111.601 0.400 . 1 . . . . 8 ASN ND2 . 26992 1 95 . 1 1 9 9 SER H H 1 8.019 0.020 . 1 . . . . 9 SER H . 26992 1 96 . 1 1 9 9 SER HA H 1 4.560 0.020 . 1 . . . . 9 SER HA . 26992 1 97 . 1 1 9 9 SER HB2 H 1 4.074 0.020 . 2 . . . . 9 SER HB2 . 26992 1 98 . 1 1 9 9 SER HB3 H 1 3.955 0.020 . 2 . . . . 9 SER HB3 . 26992 1 99 . 1 1 9 9 SER C C 13 171.706 0.400 . 1 . . . . 9 SER C . 26992 1 100 . 1 1 9 9 SER CA C 13 56.139 0.400 . 1 . . . . 9 SER CA . 26992 1 101 . 1 1 9 9 SER CB C 13 61.389 0.400 . 1 . . . . 9 SER CB . 26992 1 102 . 1 1 9 9 SER N N 15 114.243 0.400 . 1 . . . . 9 SER N . 26992 1 103 . 1 1 10 10 SER H H 1 8.191 0.020 . 1 . . . . 10 SER H . 26992 1 104 . 1 1 10 10 SER HA H 1 4.576 0.020 . 1 . . . . 10 SER HA . 26992 1 105 . 1 1 10 10 SER HB2 H 1 4.084 0.020 . 2 . . . . 10 SER HB2 . 26992 1 106 . 1 1 10 10 SER HB3 H 1 4.084 0.020 . 2 . . . . 10 SER HB3 . 26992 1 107 . 1 1 10 10 SER C C 13 171.648 0.400 . 1 . . . . 10 SER C . 26992 1 108 . 1 1 10 10 SER CA C 13 56.300 0.400 . 1 . . . . 10 SER CA . 26992 1 109 . 1 1 10 10 SER CB C 13 61.447 0.400 . 1 . . . . 10 SER CB . 26992 1 110 . 1 1 10 10 SER N N 15 116.564 0.400 . 1 . . . . 10 SER N . 26992 1 111 . 1 1 11 11 ALA H H 1 8.320 0.020 . 1 . . . . 11 ALA H . 26992 1 112 . 1 1 11 11 ALA HA H 1 4.265 0.020 . 1 . . . . 11 ALA HA . 26992 1 113 . 1 1 11 11 ALA HB1 H 1 1.267 0.020 . 1 . . . . 11 ALA HB1 . 26992 1 114 . 1 1 11 11 ALA HB2 H 1 1.267 0.020 . 1 . . . . 11 ALA HB2 . 26992 1 115 . 1 1 11 11 ALA HB3 H 1 1.267 0.020 . 1 . . . . 11 ALA HB3 . 26992 1 116 . 1 1 11 11 ALA C C 13 173.983 0.400 . 1 . . . . 11 ALA C . 26992 1 117 . 1 1 11 11 ALA CA C 13 50.750 0.400 . 1 . . . . 11 ALA CA . 26992 1 118 . 1 1 11 11 ALA CB C 13 14.568 0.400 . 1 . . . . 11 ALA CB . 26992 1 119 . 1 1 11 11 ALA N N 15 124.608 0.400 . 1 . . . . 11 ALA N . 26992 1 120 . 1 1 12 12 PRO HA H 1 4.381 0.020 . 1 . . . . 12 PRO HA . 26992 1 121 . 1 1 12 12 PRO HB2 H 1 1.848 0.020 . 2 . . . . 12 PRO HB2 . 26992 1 122 . 1 1 12 12 PRO HB3 H 1 2.246 0.020 . 2 . . . . 12 PRO HB3 . 26992 1 123 . 1 1 12 12 PRO HG2 H 1 1.966 0.020 . 2 . . . . 12 PRO HG2 . 26992 1 124 . 1 1 12 12 PRO HG3 H 1 2.025 0.020 . 2 . . . . 12 PRO HG3 . 26992 1 125 . 1 1 12 12 PRO HD2 H 1 3.748 0.020 . 2 . . . . 12 PRO HD2 . 26992 1 126 . 1 1 12 12 PRO HD3 H 1 3.638 0.020 . 2 . . . . 12 PRO HD3 . 26992 1 127 . 1 1 12 12 PRO C C 13 174.679 0.400 . 1 . . . . 12 PRO C . 26992 1 128 . 1 1 12 12 PRO CA C 13 62.486 0.400 . 1 . . . . 12 PRO CA . 26992 1 129 . 1 1 12 12 PRO CB C 13 28.578 0.400 . 1 . . . . 12 PRO CB . 26992 1 130 . 1 1 12 12 PRO CG C 13 25.168 0.400 . 1 . . . . 12 PRO CG . 26992 1 131 . 1 1 12 12 PRO CD C 13 47.515 0.400 . 1 . . . . 12 PRO CD . 26992 1 132 . 1 1 13 13 TRP H H 1 7.252 0.020 . 1 . . . . 13 TRP H . 26992 1 133 . 1 1 13 13 TRP HA H 1 4.664 0.020 . 1 . . . . 13 TRP HA . 26992 1 134 . 1 1 13 13 TRP HB2 H 1 3.443 0.020 . 2 . . . . 13 TRP HB2 . 26992 1 135 . 1 1 13 13 TRP HB3 H 1 3.443 0.020 . 2 . . . . 13 TRP HB3 . 26992 1 136 . 1 1 13 13 TRP HD1 H 1 7.371 0.020 . 1 . . . . 13 TRP HD1 . 26992 1 137 . 1 1 13 13 TRP HE1 H 1 10.521 0.020 . 1 . . . . 13 TRP HE1 . 26992 1 138 . 1 1 13 13 TRP HZ2 H 1 7.569 0.020 . 1 . . . . 13 TRP HZ2 . 26992 1 139 . 1 1 13 13 TRP C C 13 174.402 0.400 . 1 . . . . 13 TRP C . 26992 1 140 . 1 1 13 13 TRP CA C 13 55.959 0.400 . 1 . . . . 13 TRP CA . 26992 1 141 . 1 1 13 13 TRP CB C 13 26.734 0.400 . 1 . . . . 13 TRP CB . 26992 1 142 . 1 1 13 13 TRP N N 15 115.844 0.400 . 1 . . . . 13 TRP N . 26992 1 143 . 1 1 13 13 TRP NE1 N 15 129.754 0.400 . 1 . . . . 13 TRP NE1 . 26992 1 144 . 1 1 14 14 LEU H H 1 7.819 0.020 . 1 . . . . 14 LEU H . 26992 1 145 . 1 1 14 14 LEU HA H 1 4.160 0.020 . 1 . . . . 14 LEU HA . 26992 1 146 . 1 1 14 14 LEU HB2 H 1 1.766 0.020 . 2 . . . . 14 LEU HB2 . 26992 1 147 . 1 1 14 14 LEU HB3 H 1 1.766 0.020 . 2 . . . . 14 LEU HB3 . 26992 1 148 . 1 1 14 14 LEU HD11 H 1 1.341 0.020 . 2 . . . . 14 LEU HD11 . 26992 1 149 . 1 1 14 14 LEU HD12 H 1 1.341 0.020 . 2 . . . . 14 LEU HD12 . 26992 1 150 . 1 1 14 14 LEU HD13 H 1 1.341 0.020 . 2 . . . . 14 LEU HD13 . 26992 1 151 . 1 1 14 14 LEU HD21 H 1 1.003 0.020 . 2 . . . . 14 LEU HD21 . 26992 1 152 . 1 1 14 14 LEU HD22 H 1 1.003 0.020 . 2 . . . . 14 LEU HD22 . 26992 1 153 . 1 1 14 14 LEU HD23 H 1 1.003 0.020 . 2 . . . . 14 LEU HD23 . 26992 1 154 . 1 1 14 14 LEU C C 13 176.343 0.400 . 1 . . . . 14 LEU C . 26992 1 155 . 1 1 14 14 LEU CA C 13 54.846 0.400 . 1 . . . . 14 LEU CA . 26992 1 156 . 1 1 14 14 LEU CB C 13 39.134 0.400 . 1 . . . . 14 LEU CB . 26992 1 157 . 1 1 14 14 LEU N N 15 119.099 0.400 . 1 . . . . 14 LEU N . 26992 1 158 . 1 1 15 15 LYS H H 1 7.858 0.020 . 1 . . . . 15 LYS H . 26992 1 159 . 1 1 15 15 LYS HA H 1 4.274 0.020 . 1 . . . . 15 LYS HA . 26992 1 160 . 1 1 15 15 LYS HB2 H 1 1.944 0.020 . 2 . . . . 15 LYS HB2 . 26992 1 161 . 1 1 15 15 LYS HB3 H 1 1.944 0.020 . 2 . . . . 15 LYS HB3 . 26992 1 162 . 1 1 15 15 LYS HG2 H 1 1.764 0.020 . 2 . . . . 15 LYS HG2 . 26992 1 163 . 1 1 15 15 LYS HD2 H 1 1.549 0.020 . 2 . . . . 15 LYS HD2 . 26992 1 164 . 1 1 15 15 LYS HE2 H 1 3.046 0.020 . 2 . . . . 15 LYS HE2 . 26992 1 165 . 1 1 15 15 LYS HE3 H 1 3.046 0.020 . 2 . . . . 15 LYS HE3 . 26992 1 166 . 1 1 15 15 LYS C C 13 175.584 0.400 . 1 . . . . 15 LYS C . 26992 1 167 . 1 1 15 15 LYS CA C 13 55.495 0.400 . 1 . . . . 15 LYS CA . 26992 1 168 . 1 1 15 15 LYS CB C 13 29.622 0.400 . 1 . . . . 15 LYS CB . 26992 1 169 . 1 1 15 15 LYS CG C 13 26.532 0.400 . 1 . . . . 15 LYS CG . 26992 1 170 . 1 1 15 15 LYS CE C 13 39.537 0.400 . 1 . . . . 15 LYS CE . 26992 1 171 . 1 1 15 15 LYS N N 15 118.424 0.400 . 1 . . . . 15 LYS N . 26992 1 172 . 1 1 16 16 PHE H H 1 8.153 0.020 . 1 . . . . 16 PHE H . 26992 1 173 . 1 1 16 16 PHE HA H 1 4.463 0.020 . 1 . . . . 16 PHE HA . 26992 1 174 . 1 1 16 16 PHE HB2 H 1 3.370 0.020 . 2 . . . . 16 PHE HB2 . 26992 1 175 . 1 1 16 16 PHE HB3 H 1 3.297 0.020 . 2 . . . . 16 PHE HB3 . 26992 1 176 . 1 1 16 16 PHE C C 13 174.187 0.400 . 1 . . . . 16 PHE C . 26992 1 177 . 1 1 16 16 PHE CA C 13 57.666 0.400 . 1 . . . . 16 PHE CA . 26992 1 178 . 1 1 16 16 PHE CB C 13 36.440 0.400 . 1 . . . . 16 PHE CB . 26992 1 179 . 1 1 16 16 PHE N N 15 119.083 0.400 . 1 . . . . 16 PHE N . 26992 1 180 . 1 1 17 17 LYS H H 1 8.350 0.020 . 1 . . . . 17 LYS H . 26992 1 181 . 1 1 17 17 LYS HB2 H 1 1.830 0.020 . 2 . . . . 17 LYS HB2 . 26992 1 182 . 1 1 17 17 LYS HG3 H 1 1.361 0.020 . 2 . . . . 17 LYS HG3 . 26992 1 183 . 1 1 17 17 LYS HE2 H 1 2.976 0.020 . 2 . . . . 17 LYS HE2 . 26992 1 184 . 1 1 17 17 LYS HE3 H 1 2.976 0.020 . 2 . . . . 17 LYS HE3 . 26992 1 185 . 1 1 17 17 LYS C C 13 175.326 0.400 . 1 . . . . 17 LYS C . 26992 1 186 . 1 1 17 17 LYS CA C 13 57.479 0.400 . 1 . . . . 17 LYS CA . 26992 1 187 . 1 1 17 17 LYS CB C 13 29.298 0.400 . 1 . . . . 17 LYS CB . 26992 1 188 . 1 1 17 17 LYS CG C 13 22.589 0.400 . 1 . . . . 17 LYS CG . 26992 1 189 . 1 1 17 17 LYS CE C 13 39.384 0.400 . 1 . . . . 17 LYS CE . 26992 1 190 . 1 1 17 17 LYS N N 15 118.175 0.400 . 1 . . . . 17 LYS N . 26992 1 191 . 1 1 18 18 ASN H H 1 7.999 0.020 . 1 . . . . 18 ASN H . 26992 1 192 . 1 1 18 18 ASN HA H 1 4.466 0.020 . 1 . . . . 18 ASN HA . 26992 1 193 . 1 1 18 18 ASN HB2 H 1 3.032 0.020 . 2 . . . . 18 ASN HB2 . 26992 1 194 . 1 1 18 18 ASN HB3 H 1 3.032 0.020 . 2 . . . . 18 ASN HB3 . 26992 1 195 . 1 1 18 18 ASN HD21 H 1 7.753 0.020 . 2 . . . . 18 ASN HD21 . 26992 1 196 . 1 1 18 18 ASN HD22 H 1 6.946 0.020 . 2 . . . . 18 ASN HD22 . 26992 1 197 . 1 1 18 18 ASN C C 13 174.832 0.400 . 1 . . . . 18 ASN C . 26992 1 198 . 1 1 18 18 ASN CA C 13 53.227 0.400 . 1 . . . . 18 ASN CA . 26992 1 199 . 1 1 18 18 ASN CB C 13 35.752 0.400 . 1 . . . . 18 ASN CB . 26992 1 200 . 1 1 18 18 ASN N N 15 116.578 0.400 . 1 . . . . 18 ASN N . 26992 1 201 . 1 1 18 18 ASN ND2 N 15 111.533 0.400 . 1 . . . . 18 ASN ND2 . 26992 1 202 . 1 1 19 19 ILE H H 1 7.974 0.020 . 1 . . . . 19 ILE H . 26992 1 203 . 1 1 19 19 ILE HA H 1 3.985 0.020 . 1 . . . . 19 ILE HA . 26992 1 204 . 1 1 19 19 ILE HB H 1 2.128 0.020 . 1 . . . . 19 ILE HB . 26992 1 205 . 1 1 19 19 ILE HG12 H 1 1.399 0.020 . 2 . . . . 19 ILE HG12 . 26992 1 206 . 1 1 19 19 ILE HG13 H 1 1.826 0.020 . 2 . . . . 19 ILE HG13 . 26992 1 207 . 1 1 19 19 ILE HG21 H 1 1.038 0.020 . 1 . . . . 19 ILE HG21 . 26992 1 208 . 1 1 19 19 ILE HG22 H 1 1.038 0.020 . 1 . . . . 19 ILE HG22 . 26992 1 209 . 1 1 19 19 ILE HG23 H 1 1.038 0.020 . 1 . . . . 19 ILE HG23 . 26992 1 210 . 1 1 19 19 ILE HD11 H 1 1.010 0.020 . 1 . . . . 19 ILE HD11 . 26992 1 211 . 1 1 19 19 ILE HD12 H 1 1.010 0.020 . 1 . . . . 19 ILE HD12 . 26992 1 212 . 1 1 19 19 ILE HD13 H 1 1.010 0.020 . 1 . . . . 19 ILE HD13 . 26992 1 213 . 1 1 19 19 ILE C C 13 174.567 0.400 . 1 . . . . 19 ILE C . 26992 1 214 . 1 1 19 19 ILE CA C 13 61.706 0.400 . 1 . . . . 19 ILE CA . 26992 1 215 . 1 1 19 19 ILE CB C 13 35.151 0.400 . 1 . . . . 19 ILE CB . 26992 1 216 . 1 1 19 19 ILE CG1 C 13 26.342 0.400 . 1 . . . . 19 ILE CG1 . 26992 1 217 . 1 1 19 19 ILE CG2 C 13 15.187 0.400 . 1 . . . . 19 ILE CG2 . 26992 1 218 . 1 1 19 19 ILE CD1 C 13 10.770 0.400 . 1 . . . . 19 ILE CD1 . 26992 1 219 . 1 1 19 19 ILE N N 15 119.682 0.400 . 1 . . . . 19 ILE N . 26992 1 220 . 1 1 20 20 ILE H H 1 7.889 0.020 . 1 . . . . 20 ILE H . 26992 1 221 . 1 1 20 20 ILE HA H 1 3.796 0.020 . 1 . . . . 20 ILE HA . 26992 1 222 . 1 1 20 20 ILE HB H 1 1.971 0.020 . 1 . . . . 20 ILE HB . 26992 1 223 . 1 1 20 20 ILE HG12 H 1 1.201 0.020 . 2 . . . . 20 ILE HG12 . 26992 1 224 . 1 1 20 20 ILE HG13 H 1 1.450 0.020 . 2 . . . . 20 ILE HG13 . 26992 1 225 . 1 1 20 20 ILE HG21 H 1 0.947 0.020 . 1 . . . . 20 ILE HG21 . 26992 1 226 . 1 1 20 20 ILE HG22 H 1 0.947 0.020 . 1 . . . . 20 ILE HG22 . 26992 1 227 . 1 1 20 20 ILE HG23 H 1 0.947 0.020 . 1 . . . . 20 ILE HG23 . 26992 1 228 . 1 1 20 20 ILE HD11 H 1 0.827 0.020 . 1 . . . . 20 ILE HD11 . 26992 1 229 . 1 1 20 20 ILE HD12 H 1 0.827 0.020 . 1 . . . . 20 ILE HD12 . 26992 1 230 . 1 1 20 20 ILE HD13 H 1 0.827 0.020 . 1 . . . . 20 ILE HD13 . 26992 1 231 . 1 1 20 20 ILE C C 13 174.588 0.400 . 1 . . . . 20 ILE C . 26992 1 232 . 1 1 20 20 ILE CA C 13 61.397 0.400 . 1 . . . . 20 ILE CA . 26992 1 233 . 1 1 20 20 ILE CB C 13 34.257 0.400 . 1 . . . . 20 ILE CB . 26992 1 234 . 1 1 20 20 ILE CG1 C 13 25.690 0.400 . 1 . . . . 20 ILE CG1 . 26992 1 235 . 1 1 20 20 ILE CG2 C 13 15.275 0.400 . 1 . . . . 20 ILE CG2 . 26992 1 236 . 1 1 20 20 ILE CD1 C 13 9.743 0.400 . 1 . . . . 20 ILE CD1 . 26992 1 237 . 1 1 20 20 ILE N N 15 118.211 0.400 . 1 . . . . 20 ILE N . 26992 1 238 . 1 1 21 21 HIS H H 1 7.979 0.020 . 1 . . . . 21 HIS H . 26992 1 239 . 1 1 21 21 HIS HA H 1 4.475 0.020 . 1 . . . . 21 HIS HA . 26992 1 240 . 1 1 21 21 HIS HB2 H 1 3.498 0.020 . 2 . . . . 21 HIS HB2 . 26992 1 241 . 1 1 21 21 HIS HB3 H 1 3.446 0.020 . 2 . . . . 21 HIS HB3 . 26992 1 242 . 1 1 21 21 HIS C C 13 172.963 0.400 . 1 . . . . 21 HIS C . 26992 1 243 . 1 1 21 21 HIS CA C 13 55.598 0.400 . 1 . . . . 21 HIS CA . 26992 1 244 . 1 1 21 21 HIS CB C 13 25.801 0.400 . 1 . . . . 21 HIS CB . 26992 1 245 . 1 1 21 21 HIS N N 15 116.561 0.400 . 1 . . . . 21 HIS N . 26992 1 246 . 1 1 22 22 LEU H H 1 7.786 0.020 . 1 . . . . 22 LEU H . 26992 1 247 . 1 1 22 22 LEU HA H 1 4.192 0.020 . 1 . . . . 22 LEU HA . 26992 1 248 . 1 1 22 22 LEU HB2 H 1 2.010 0.020 . 2 . . . . 22 LEU HB2 . 26992 1 249 . 1 1 22 22 LEU HB3 H 1 2.010 0.020 . 2 . . . . 22 LEU HB3 . 26992 1 250 . 1 1 22 22 LEU C C 13 175.519 0.400 . 1 . . . . 22 LEU C . 26992 1 251 . 1 1 22 22 LEU CA C 13 54.722 0.400 . 1 . . . . 22 LEU CA . 26992 1 252 . 1 1 22 22 LEU CB C 13 39.812 0.400 . 1 . . . . 22 LEU CB . 26992 1 253 . 1 1 22 22 LEU N N 15 117.945 0.400 . 1 . . . . 22 LEU N . 26992 1 254 . 1 1 23 23 ILE H H 1 7.759 0.020 . 1 . . . . 23 ILE H . 26992 1 255 . 1 1 23 23 ILE HA H 1 4.030 0.020 . 1 . . . . 23 ILE HA . 26992 1 256 . 1 1 23 23 ILE HB H 1 2.094 0.020 . 1 . . . . 23 ILE HB . 26992 1 257 . 1 1 23 23 ILE HG12 H 1 1.819 0.020 . 2 . . . . 23 ILE HG12 . 26992 1 258 . 1 1 23 23 ILE HG13 H 1 1.819 0.020 . 2 . . . . 23 ILE HG13 . 26992 1 259 . 1 1 23 23 ILE HG21 H 1 1.017 0.020 . 1 . . . . 23 ILE HG21 . 26992 1 260 . 1 1 23 23 ILE HG22 H 1 1.017 0.020 . 1 . . . . 23 ILE HG22 . 26992 1 261 . 1 1 23 23 ILE HG23 H 1 1.017 0.020 . 1 . . . . 23 ILE HG23 . 26992 1 262 . 1 1 23 23 ILE HD11 H 1 0.942 0.020 . 1 . . . . 23 ILE HD11 . 26992 1 263 . 1 1 23 23 ILE HD12 H 1 0.942 0.020 . 1 . . . . 23 ILE HD12 . 26992 1 264 . 1 1 23 23 ILE HD13 H 1 0.942 0.020 . 1 . . . . 23 ILE HD13 . 26992 1 265 . 1 1 23 23 ILE C C 13 173.511 0.400 . 1 . . . . 23 ILE C . 26992 1 266 . 1 1 23 23 ILE CA C 13 60.649 0.400 . 1 . . . . 23 ILE CA . 26992 1 267 . 1 1 23 23 ILE CB C 13 35.728 0.400 . 1 . . . . 23 ILE CB . 26992 1 268 . 1 1 23 23 ILE CG1 C 13 26.692 0.400 . 1 . . . . 23 ILE CG1 . 26992 1 269 . 1 1 23 23 ILE N N 15 116.030 0.400 . 1 . . . . 23 ILE N . 26992 1 270 . 1 1 24 24 VAL H H 1 7.797 0.020 . 1 . . . . 24 VAL H . 26992 1 271 . 1 1 24 24 VAL HA H 1 4.128 0.020 . 1 . . . . 24 VAL HA . 26992 1 272 . 1 1 24 24 VAL HB H 1 2.311 0.020 . 1 . . . . 24 VAL HB . 26992 1 273 . 1 1 24 24 VAL HG11 H 1 1.077 0.020 . 2 . . . . 24 VAL HG1 . 26992 1 274 . 1 1 24 24 VAL HG12 H 1 1.077 0.020 . 2 . . . . 24 VAL HG1 . 26992 1 275 . 1 1 24 24 VAL HG13 H 1 1.077 0.020 . 2 . . . . 24 VAL HG1 . 26992 1 276 . 1 1 24 24 VAL HG21 H 1 1.077 0.020 . 2 . . . . 24 VAL HG2 . 26992 1 277 . 1 1 24 24 VAL HG22 H 1 1.077 0.020 . 2 . . . . 24 VAL HG2 . 26992 1 278 . 1 1 24 24 VAL HG23 H 1 1.077 0.020 . 2 . . . . 24 VAL HG2 . 26992 1 279 . 1 1 24 24 VAL C C 13 173.564 0.400 . 1 . . . . 24 VAL C . 26992 1 280 . 1 1 24 24 VAL CA C 13 60.907 0.400 . 1 . . . . 24 VAL CA . 26992 1 281 . 1 1 24 24 VAL CB C 13 29.437 0.400 . 1 . . . . 24 VAL CB . 26992 1 282 . 1 1 24 24 VAL CG1 C 13 18.738 0.400 . 2 . . . . 24 VAL CG1 . 26992 1 283 . 1 1 24 24 VAL N N 15 115.524 0.400 . 1 . . . . 24 VAL N . 26992 1 284 . 1 1 25 25 MET H H 1 7.763 0.020 . 1 . . . . 25 MET H . 26992 1 285 . 1 1 25 25 MET HA H 1 4.516 0.020 . 1 . . . . 25 MET HA . 26992 1 286 . 1 1 25 25 MET HB2 H 1 2.590 0.020 . 2 . . . . 25 MET HB2 . 26992 1 287 . 1 1 25 25 MET HB3 H 1 2.590 0.020 . 2 . . . . 25 MET HB3 . 26992 1 288 . 1 1 25 25 MET C C 13 173.726 0.400 . 1 . . . . 25 MET C . 26992 1 289 . 1 1 25 25 MET CA C 13 53.742 0.400 . 1 . . . . 25 MET CA . 26992 1 290 . 1 1 25 25 MET CB C 13 29.587 0.400 . 1 . . . . 25 MET CB . 26992 1 291 . 1 1 25 25 MET N N 15 118.035 0.400 . 1 . . . . 25 MET N . 26992 1 292 . 1 1 26 26 ASP H H 1 8.037 0.020 . 1 . . . . 26 ASP H . 26992 1 293 . 1 1 26 26 ASP HA H 1 4.894 0.020 . 1 . . . . 26 ASP HA . 26992 1 294 . 1 1 26 26 ASP HB2 H 1 3.034 0.020 . 2 . . . . 26 ASP HB2 . 26992 1 295 . 1 1 26 26 ASP HB3 H 1 3.034 0.020 . 2 . . . . 26 ASP HB3 . 26992 1 296 . 1 1 26 26 ASP CA C 13 51.217 0.400 . 1 . . . . 26 ASP CA . 26992 1 297 . 1 1 26 26 ASP CB C 13 36.977 0.400 . 1 . . . . 26 ASP CB . 26992 1 298 . 1 1 26 26 ASP N N 15 118.450 0.400 . 1 . . . . 26 ASP N . 26992 1 299 . 1 1 27 27 PRO HA H 1 4.488 0.020 . 1 . . . . 27 PRO HA . 26992 1 300 . 1 1 27 27 PRO HB2 H 1 2.226 0.020 . 2 . . . . 27 PRO HB2 . 26992 1 301 . 1 1 27 27 PRO HB3 H 1 1.647 0.020 . 2 . . . . 27 PRO HB3 . 26992 1 302 . 1 1 27 27 PRO HG2 H 1 1.956 0.020 . 2 . . . . 27 PRO HG2 . 26992 1 303 . 1 1 27 27 PRO HG3 H 1 1.740 0.020 . 2 . . . . 27 PRO HG3 . 26992 1 304 . 1 1 27 27 PRO HD2 H 1 3.850 0.020 . 2 . . . . 27 PRO HD2 . 26992 1 305 . 1 1 27 27 PRO HD3 H 1 3.721 0.020 . 2 . . . . 27 PRO HD3 . 26992 1 306 . 1 1 27 27 PRO C C 13 174.553 0.400 . 1 . . . . 27 PRO C . 26992 1 307 . 1 1 27 27 PRO CA C 13 61.765 0.400 . 1 . . . . 27 PRO CA . 26992 1 308 . 1 1 27 27 PRO CB C 13 29.022 0.400 . 1 . . . . 27 PRO CB . 26992 1 309 . 1 1 27 27 PRO CG C 13 24.378 0.400 . 1 . . . . 27 PRO CG . 26992 1 310 . 1 1 27 27 PRO CD C 13 47.631 0.400 . 1 . . . . 27 PRO CD . 26992 1 311 . 1 1 28 28 PHE H H 1 7.949 0.020 . 1 . . . . 28 PHE H . 26992 1 312 . 1 1 28 28 PHE HA H 1 4.603 0.020 . 1 . . . . 28 PHE HA . 26992 1 313 . 1 1 28 28 PHE HB2 H 1 3.371 0.020 . 2 . . . . 28 PHE HB2 . 26992 1 314 . 1 1 28 28 PHE HB3 H 1 3.231 0.020 . 2 . . . . 28 PHE HB3 . 26992 1 315 . 1 1 28 28 PHE HD1 H 1 7.415 0.020 . 1 . . . . 28 PHE HD1 . 26992 1 316 . 1 1 28 28 PHE HD2 H 1 7.415 0.020 . 1 . . . . 28 PHE HD2 . 26992 1 317 . 1 1 28 28 PHE C C 13 174.016 0.400 . 1 . . . . 28 PHE C . 26992 1 318 . 1 1 28 28 PHE CA C 13 56.294 0.400 . 1 . . . . 28 PHE CA . 26992 1 319 . 1 1 28 28 PHE CB C 13 36.065 0.400 . 1 . . . . 28 PHE CB . 26992 1 320 . 1 1 28 28 PHE N N 15 116.535 0.400 . 1 . . . . 28 PHE N . 26992 1 321 . 1 1 29 29 VAL H H 1 7.659 0.020 . 1 . . . . 29 VAL H . 26992 1 322 . 1 1 29 29 VAL HA H 1 4.074 0.020 . 1 . . . . 29 VAL HA . 26992 1 323 . 1 1 29 29 VAL HB H 1 2.221 0.020 . 1 . . . . 29 VAL HB . 26992 1 324 . 1 1 29 29 VAL HG11 H 1 1.048 0.020 . 2 . . . . 29 VAL HG11 . 26992 1 325 . 1 1 29 29 VAL HG12 H 1 1.048 0.020 . 2 . . . . 29 VAL HG12 . 26992 1 326 . 1 1 29 29 VAL HG13 H 1 1.048 0.020 . 2 . . . . 29 VAL HG13 . 26992 1 327 . 1 1 29 29 VAL HG21 H 1 1.090 0.020 . 2 . . . . 29 VAL HG21 . 26992 1 328 . 1 1 29 29 VAL HG22 H 1 1.090 0.020 . 2 . . . . 29 VAL HG22 . 26992 1 329 . 1 1 29 29 VAL HG23 H 1 1.090 0.020 . 2 . . . . 29 VAL HG23 . 26992 1 330 . 1 1 29 29 VAL C C 13 173.801 0.400 . 1 . . . . 29 VAL C . 26992 1 331 . 1 1 29 29 VAL CA C 13 61.191 0.400 . 1 . . . . 29 VAL CA . 26992 1 332 . 1 1 29 29 VAL CB C 13 29.994 0.400 . 1 . . . . 29 VAL CB . 26992 1 333 . 1 1 29 29 VAL CG1 C 13 18.572 0.400 . 2 . . . . 29 VAL CG1 . 26992 1 334 . 1 1 29 29 VAL CG2 C 13 18.888 0.400 . 2 . . . . 29 VAL CG2 . 26992 1 335 . 1 1 29 29 VAL N N 15 118.777 0.400 . 1 . . . . 29 VAL N . 26992 1 336 . 1 1 30 30 ASP H H 1 8.274 0.020 . 1 . . . . 30 ASP H . 26992 1 337 . 1 1 30 30 ASP HA H 1 4.767 0.020 . 1 . . . . 30 ASP HA . 26992 1 338 . 1 1 30 30 ASP HB2 H 1 2.934 0.020 . 2 . . . . 30 ASP HB2 . 26992 1 339 . 1 1 30 30 ASP HB3 H 1 2.796 0.020 . 2 . . . . 30 ASP HB3 . 26992 1 340 . 1 1 30 30 ASP C C 13 174.670 0.400 . 1 . . . . 30 ASP C . 26992 1 341 . 1 1 30 30 ASP CA C 13 52.247 0.400 . 1 . . . . 30 ASP CA . 26992 1 342 . 1 1 30 30 ASP CB C 13 36.352 0.400 . 1 . . . . 30 ASP CB . 26992 1 343 . 1 1 30 30 ASP N N 15 120.844 0.400 . 1 . . . . 30 ASP N . 26992 1 344 . 1 1 32 32 GLY H H 1 8.411 0.020 . 1 . . . . 32 GLY H . 26992 1 345 . 1 1 32 32 GLY HA2 H 1 3.875 0.020 . 2 . . . . 32 GLY HA2 . 26992 1 346 . 1 1 32 32 GLY HA3 H 1 4.117 0.020 . 2 . . . . 32 GLY HA3 . 26992 1 347 . 1 1 32 32 GLY C C 13 173.575 0.400 . 1 . . . . 32 GLY C . 26992 1 348 . 1 1 32 32 GLY CA C 13 44.541 0.400 . 1 . . . . 32 GLY CA . 26992 1 349 . 1 1 32 32 GLY N N 15 106.781 0.400 . 1 . . . . 32 GLY N . 26992 1 350 . 1 1 37 37 ILE H H 1 8.032 0.020 . 1 . . . . 37 ILE H . 26992 1 351 . 1 1 37 37 ILE HG21 H 1 1.310 0.020 . 1 . . . . 37 ILE HG21 . 26992 1 352 . 1 1 37 37 ILE HG22 H 1 1.310 0.020 . 1 . . . . 37 ILE HG22 . 26992 1 353 . 1 1 37 37 ILE HG23 H 1 1.310 0.020 . 1 . . . . 37 ILE HG23 . 26992 1 354 . 1 1 37 37 ILE HD11 H 1 1.036 0.020 . 1 . . . . 37 ILE HD11 . 26992 1 355 . 1 1 37 37 ILE HD12 H 1 1.036 0.020 . 1 . . . . 37 ILE HD12 . 26992 1 356 . 1 1 37 37 ILE HD13 H 1 1.036 0.020 . 1 . . . . 37 ILE HD13 . 26992 1 357 . 1 1 37 37 ILE C C 13 176.835 0.400 . 1 . . . . 37 ILE C . 26992 1 358 . 1 1 37 37 ILE CA C 13 62.375 0.400 . 1 . . . . 37 ILE CA . 26992 1 359 . 1 1 37 37 ILE N N 15 121.965 0.400 . 1 . . . . 37 ILE N . 26992 1 360 . 1 1 38 38 VAL H H 1 8.260 0.020 . 1 . . . . 38 VAL H . 26992 1 361 . 1 1 38 38 VAL HA H 1 3.664 0.020 . 1 . . . . 38 VAL HA . 26992 1 362 . 1 1 38 38 VAL HB H 1 2.388 0.020 . 1 . . . . 38 VAL HB . 26992 1 363 . 1 1 38 38 VAL HG11 H 1 1.168 0.020 . 2 . . . . 38 VAL HG11 . 26992 1 364 . 1 1 38 38 VAL HG12 H 1 1.168 0.020 . 2 . . . . 38 VAL HG12 . 26992 1 365 . 1 1 38 38 VAL HG13 H 1 1.168 0.020 . 2 . . . . 38 VAL HG13 . 26992 1 366 . 1 1 38 38 VAL HG21 H 1 1.028 0.020 . 2 . . . . 38 VAL HG21 . 26992 1 367 . 1 1 38 38 VAL HG22 H 1 1.028 0.020 . 2 . . . . 38 VAL HG22 . 26992 1 368 . 1 1 38 38 VAL HG23 H 1 1.028 0.020 . 2 . . . . 38 VAL HG23 . 26992 1 369 . 1 1 38 38 VAL C C 13 174.918 0.400 . 1 . . . . 38 VAL C . 26992 1 370 . 1 1 38 38 VAL CA C 13 64.859 0.400 . 1 . . . . 38 VAL CA . 26992 1 371 . 1 1 38 38 VAL CB C 13 29.218 0.400 . 1 . . . . 38 VAL CB . 26992 1 372 . 1 1 38 38 VAL CG1 C 13 20.541 0.400 . 2 . . . . 38 VAL CG1 . 26992 1 373 . 1 1 38 38 VAL CG2 C 13 18.912 0.400 . 2 . . . . 38 VAL CG2 . 26992 1 374 . 1 1 38 38 VAL N N 15 122.557 0.400 . 1 . . . . 38 VAL N . 26992 1 375 . 1 1 39 39 LEU H H 1 8.696 0.020 . 1 . . . . 39 LEU H . 26992 1 376 . 1 1 39 39 LEU HA H 1 3.996 0.020 . 1 . . . . 39 LEU HA . 26992 1 377 . 1 1 39 39 LEU HB2 H 1 1.953 0.020 . 2 . . . . 39 LEU HB2 . 26992 1 378 . 1 1 39 39 LEU HB3 H 1 1.953 0.020 . 2 . . . . 39 LEU HB3 . 26992 1 379 . 1 1 39 39 LEU HG H 1 1.788 0.020 . 1 . . . . 39 LEU HG . 26992 1 380 . 1 1 39 39 LEU HD11 H 1 0.992 0.020 . 2 . . . . 39 LEU HD1 . 26992 1 381 . 1 1 39 39 LEU HD12 H 1 0.992 0.020 . 2 . . . . 39 LEU HD1 . 26992 1 382 . 1 1 39 39 LEU HD13 H 1 0.992 0.020 . 2 . . . . 39 LEU HD1 . 26992 1 383 . 1 1 39 39 LEU HD21 H 1 0.992 0.020 . 2 . . . . 39 LEU HD2 . 26992 1 384 . 1 1 39 39 LEU HD22 H 1 0.992 0.020 . 2 . . . . 39 LEU HD2 . 26992 1 385 . 1 1 39 39 LEU HD23 H 1 0.992 0.020 . 2 . . . . 39 LEU HD2 . 26992 1 386 . 1 1 39 39 LEU C C 13 175.723 0.400 . 1 . . . . 39 LEU C . 26992 1 387 . 1 1 39 39 LEU CA C 13 55.727 0.400 . 1 . . . . 39 LEU CA . 26992 1 388 . 1 1 39 39 LEU CB C 13 38.851 0.400 . 1 . . . . 39 LEU CB . 26992 1 389 . 1 1 39 39 LEU CG C 13 26.576 0.400 . 1 . . . . 39 LEU CG . 26992 1 390 . 1 1 39 39 LEU CD1 C 13 22.863 0.400 . 2 . . . . 39 LEU CD1 . 26992 1 391 . 1 1 39 39 LEU N N 15 118.589 0.400 . 1 . . . . 39 LEU N . 26992 1 392 . 1 1 40 40 ASN H H 1 8.465 0.020 . 1 . . . . 40 ASN H . 26992 1 393 . 1 1 40 40 ASN HA H 1 4.616 0.020 . 1 . . . . 40 ASN HA . 26992 1 394 . 1 1 40 40 ASN HB2 H 1 3.094 0.020 . 2 . . . . 40 ASN HB2 . 26992 1 395 . 1 1 40 40 ASN HB3 H 1 2.946 0.020 . 2 . . . . 40 ASN HB3 . 26992 1 396 . 1 1 40 40 ASN HD21 H 1 6.958 0.020 . 2 . . . . 40 ASN HD21 . 26992 1 397 . 1 1 40 40 ASN HD22 H 1 7.709 0.020 . 2 . . . . 40 ASN HD22 . 26992 1 398 . 1 1 40 40 ASN C C 13 175.594 0.400 . 1 . . . . 40 ASN C . 26992 1 399 . 1 1 40 40 ASN CA C 13 54.387 0.400 . 1 . . . . 40 ASN CA . 26992 1 400 . 1 1 40 40 ASN CB C 13 36.290 0.400 . 1 . . . . 40 ASN CB . 26992 1 401 . 1 1 40 40 ASN N N 15 116.129 0.400 . 1 . . . . 40 ASN N . 26992 1 402 . 1 1 40 40 ASN ND2 N 15 112.272 0.400 . 1 . . . . 40 ASN ND2 . 26992 1 403 . 1 1 41 41 THR H H 1 8.155 0.020 . 1 . . . . 41 THR H . 26992 1 404 . 1 1 41 41 THR HA H 1 4.079 0.020 . 1 . . . . 41 THR HA . 26992 1 405 . 1 1 41 41 THR HB H 1 4.486 0.020 . 1 . . . . 41 THR HB . 26992 1 406 . 1 1 41 41 THR HG21 H 1 1.347 0.020 . 1 . . . . 41 THR HG21 . 26992 1 407 . 1 1 41 41 THR HG22 H 1 1.347 0.020 . 1 . . . . 41 THR HG22 . 26992 1 408 . 1 1 41 41 THR HG23 H 1 1.347 0.020 . 1 . . . . 41 THR HG23 . 26992 1 409 . 1 1 41 41 THR C C 13 173.506 0.400 . 1 . . . . 41 THR C . 26992 1 410 . 1 1 41 41 THR CA C 13 64.872 0.400 . 1 . . . . 41 THR CA . 26992 1 411 . 1 1 41 41 THR N N 15 116.616 0.400 . 1 . . . . 41 THR N . 26992 1 412 . 1 1 42 42 LEU H H 1 8.312 0.020 . 1 . . . . 42 LEU H . 26992 1 413 . 1 1 42 42 LEU HA H 1 4.142 0.020 . 1 . . . . 42 LEU HA . 26992 1 414 . 1 1 42 42 LEU HB2 H 1 1.874 0.020 . 2 . . . . 42 LEU HB2 . 26992 1 415 . 1 1 42 42 LEU HB3 H 1 1.874 0.020 . 2 . . . . 42 LEU HB3 . 26992 1 416 . 1 1 42 42 LEU HG H 1 1.678 0.020 . 1 . . . . 42 LEU HG . 26992 1 417 . 1 1 42 42 LEU HD11 H 1 0.917 0.020 . 2 . . . . 42 LEU HD11 . 26992 1 418 . 1 1 42 42 LEU HD12 H 1 0.917 0.020 . 2 . . . . 42 LEU HD12 . 26992 1 419 . 1 1 42 42 LEU HD13 H 1 0.917 0.020 . 2 . . . . 42 LEU HD13 . 26992 1 420 . 1 1 42 42 LEU HD21 H 1 0.974 0.020 . 2 . . . . 42 LEU HD21 . 26992 1 421 . 1 1 42 42 LEU HD22 H 1 0.974 0.020 . 2 . . . . 42 LEU HD22 . 26992 1 422 . 1 1 42 42 LEU HD23 H 1 0.974 0.020 . 2 . . . . 42 LEU HD23 . 26992 1 423 . 1 1 42 42 LEU C C 13 175.788 0.400 . 1 . . . . 42 LEU C . 26992 1 424 . 1 1 42 42 LEU CA C 13 55.933 0.400 . 1 . . . . 42 LEU CA . 26992 1 425 . 1 1 42 42 LEU CB C 13 39.010 0.400 . 1 . . . . 42 LEU CB . 26992 1 426 . 1 1 42 42 LEU CG C 13 24.580 0.400 . 1 . . . . 42 LEU CG . 26992 1 427 . 1 1 42 42 LEU CD1 C 13 21.637 0.400 . 2 . . . . 42 LEU CD1 . 26992 1 428 . 1 1 42 42 LEU CD2 C 13 22.390 0.400 . 2 . . . . 42 LEU CD2 . 26992 1 429 . 1 1 42 42 LEU N N 15 122.387 0.400 . 1 . . . . 42 LEU N . 26992 1 430 . 1 1 43 43 PHE H H 1 8.690 0.020 . 1 . . . . 43 PHE H . 26992 1 431 . 1 1 43 43 PHE HA H 1 4.506 0.020 . 1 . . . . 43 PHE HA . 26992 1 432 . 1 1 43 43 PHE HB2 H 1 3.346 0.020 . 2 . . . . 43 PHE HB2 . 26992 1 433 . 1 1 43 43 PHE HB3 H 1 3.408 0.020 . 2 . . . . 43 PHE HB3 . 26992 1 434 . 1 1 43 43 PHE C C 13 176.024 0.400 . 1 . . . . 43 PHE C . 26992 1 435 . 1 1 43 43 PHE CA C 13 58.021 0.400 . 1 . . . . 43 PHE CA . 26992 1 436 . 1 1 43 43 PHE CB C 13 35.310 0.400 . 1 . . . . 43 PHE CB . 26992 1 437 . 1 1 43 43 PHE N N 15 117.916 0.400 . 1 . . . . 43 PHE N . 26992 1 438 . 1 1 44 44 MET H H 1 8.259 0.020 . 1 . . . . 44 MET H . 26992 1 439 . 1 1 44 44 MET HA H 1 4.358 0.020 . 1 . . . . 44 MET HA . 26992 1 440 . 1 1 44 44 MET HB2 H 1 2.972 0.020 . 2 . . . . 44 MET HB2 . 26992 1 441 . 1 1 44 44 MET HB3 H 1 2.757 0.020 . 2 . . . . 44 MET HB3 . 26992 1 442 . 1 1 44 44 MET HG2 H 1 2.481 0.020 . 2 . . . . 44 MET HG2 . 26992 1 443 . 1 1 44 44 MET HG3 H 1 2.305 0.020 . 2 . . . . 44 MET HG3 . 26992 1 444 . 1 1 44 44 MET C C 13 176.432 0.400 . 1 . . . . 44 MET C . 26992 1 445 . 1 1 44 44 MET CA C 13 55.937 0.400 . 1 . . . . 44 MET CA . 26992 1 446 . 1 1 44 44 MET CB C 13 29.601 0.400 . 1 . . . . 44 MET CB . 26992 1 447 . 1 1 44 44 MET CG C 13 29.832 0.400 . 1 . . . . 44 MET CG . 26992 1 448 . 1 1 44 44 MET N N 15 118.436 0.400 . 1 . . . . 44 MET N . 26992 1 449 . 1 1 45 45 ALA H H 1 8.314 0.020 . 1 . . . . 45 ALA H . 26992 1 450 . 1 1 45 45 ALA HA H 1 4.300 0.020 . 1 . . . . 45 ALA HA . 26992 1 451 . 1 1 45 45 ALA HB1 H 1 1.705 0.020 . 1 . . . . 45 ALA HB1 . 26992 1 452 . 1 1 45 45 ALA HB2 H 1 1.705 0.020 . 1 . . . . 45 ALA HB2 . 26992 1 453 . 1 1 45 45 ALA HB3 H 1 1.705 0.020 . 1 . . . . 45 ALA HB3 . 26992 1 454 . 1 1 45 45 ALA C C 13 176.958 0.400 . 1 . . . . 45 ALA C . 26992 1 455 . 1 1 45 45 ALA CA C 13 52.711 0.400 . 1 . . . . 45 ALA CA . 26992 1 456 . 1 1 45 45 ALA CB C 13 15.637 0.400 . 1 . . . . 45 ALA CB . 26992 1 457 . 1 1 45 45 ALA N N 15 122.386 0.400 . 1 . . . . 45 ALA N . 26992 1 458 . 1 1 46 46 MET H H 1 8.264 0.020 . 1 . . . . 46 MET H . 26992 1 459 . 1 1 46 46 MET HA H 1 4.335 0.020 . 1 . . . . 46 MET HA . 26992 1 460 . 1 1 46 46 MET HB2 H 1 2.864 0.020 . 2 . . . . 46 MET HB2 . 26992 1 461 . 1 1 46 46 MET HB3 H 1 2.691 0.020 . 2 . . . . 46 MET HB3 . 26992 1 462 . 1 1 46 46 MET C C 13 175.251 0.400 . 1 . . . . 46 MET C . 26992 1 463 . 1 1 46 46 MET CA C 13 55.649 0.400 . 1 . . . . 46 MET CA . 26992 1 464 . 1 1 46 46 MET CB C 13 30.135 0.400 . 1 . . . . 46 MET CB . 26992 1 465 . 1 1 46 46 MET N N 15 115.432 0.400 . 1 . . . . 46 MET N . 26992 1 466 . 1 1 47 47 GLU H H 1 7.842 0.020 . 1 . . . . 47 GLU H . 26992 1 467 . 1 1 47 47 GLU HA H 1 4.203 0.020 . 1 . . . . 47 GLU HA . 26992 1 468 . 1 1 47 47 GLU HB2 H 1 2.093 0.020 . 2 . . . . 47 GLU HB2 . 26992 1 469 . 1 1 47 47 GLU HB3 H 1 2.155 0.020 . 2 . . . . 47 GLU HB3 . 26992 1 470 . 1 1 47 47 GLU HG2 H 1 2.307 0.020 . 2 . . . . 47 GLU HG2 . 26992 1 471 . 1 1 47 47 GLU HG3 H 1 2.435 0.020 . 2 . . . . 47 GLU HG3 . 26992 1 472 . 1 1 47 47 GLU C C 13 174.553 0.400 . 1 . . . . 47 GLU C . 26992 1 473 . 1 1 47 47 GLU CA C 13 55.443 0.400 . 1 . . . . 47 GLU CA . 26992 1 474 . 1 1 47 47 GLU CB C 13 26.431 0.400 . 1 . . . . 47 GLU CB . 26992 1 475 . 1 1 47 47 GLU N N 15 116.521 0.400 . 1 . . . . 47 GLU N . 26992 1 476 . 1 1 48 48 HIS H H 1 7.874 0.020 . 1 . . . . 48 HIS H . 26992 1 477 . 1 1 48 48 HIS HA H 1 4.624 0.020 . 1 . . . . 48 HIS HA . 26992 1 478 . 1 1 48 48 HIS HB2 H 1 3.206 0.020 . 2 . . . . 48 HIS HB2 . 26992 1 479 . 1 1 48 48 HIS HB3 H 1 3.307 0.020 . 2 . . . . 48 HIS HB3 . 26992 1 480 . 1 1 48 48 HIS C C 13 171.298 0.400 . 1 . . . . 48 HIS C . 26992 1 481 . 1 1 48 48 HIS CA C 13 53.665 0.400 . 1 . . . . 48 HIS CA . 26992 1 482 . 1 1 48 48 HIS CB C 13 26.571 0.400 . 1 . . . . 48 HIS CB . 26992 1 483 . 1 1 48 48 HIS N N 15 114.535 0.400 . 1 . . . . 48 HIS N . 26992 1 484 . 1 1 49 49 TYR H H 1 7.942 0.020 . 1 . . . . 49 TYR H . 26992 1 485 . 1 1 49 49 TYR HA H 1 4.959 0.020 . 1 . . . . 49 TYR HA . 26992 1 486 . 1 1 49 49 TYR HB2 H 1 3.089 0.020 . 2 . . . . 49 TYR HB2 . 26992 1 487 . 1 1 49 49 TYR HB3 H 1 3.189 0.020 . 2 . . . . 49 TYR HB3 . 26992 1 488 . 1 1 49 49 TYR C C 13 170.971 0.400 . 1 . . . . 49 TYR C . 26992 1 489 . 1 1 49 49 TYR CA C 13 53.616 0.400 . 1 . . . . 49 TYR CA . 26992 1 490 . 1 1 49 49 TYR CB C 13 36.248 0.400 . 1 . . . . 49 TYR CB . 26992 1 491 . 1 1 49 49 TYR N N 15 120.635 0.400 . 1 . . . . 49 TYR N . 26992 1 492 . 1 1 50 50 PRO HA H 1 4.660 0.020 . 1 . . . . 50 PRO HA . 26992 1 493 . 1 1 50 50 PRO HB2 H 1 2.313 0.020 . 2 . . . . 50 PRO HB2 . 26992 1 494 . 1 1 50 50 PRO HB3 H 1 2.313 0.020 . 2 . . . . 50 PRO HB3 . 26992 1 495 . 1 1 50 50 PRO HG2 H 1 2.106 0.020 . 2 . . . . 50 PRO HG2 . 26992 1 496 . 1 1 50 50 PRO HG3 H 1 2.072 0.020 . 2 . . . . 50 PRO HG3 . 26992 1 497 . 1 1 50 50 PRO HD2 H 1 3.788 0.020 . 2 . . . . 50 PRO HD2 . 26992 1 498 . 1 1 50 50 PRO HD3 H 1 3.502 0.020 . 2 . . . . 50 PRO HD3 . 26992 1 499 . 1 1 50 50 PRO C C 13 174.792 0.400 . 1 . . . . 50 PRO C . 26992 1 500 . 1 1 50 50 PRO CA C 13 61.102 0.400 . 1 . . . . 50 PRO CA . 26992 1 501 . 1 1 50 50 PRO CB C 13 28.432 0.400 . 1 . . . . 50 PRO CB . 26992 1 502 . 1 1 50 50 PRO CG C 13 25.064 0.400 . 1 . . . . 50 PRO CG . 26992 1 503 . 1 1 50 50 PRO CD C 13 47.849 0.400 . 1 . . . . 50 PRO CD . 26992 1 504 . 1 1 51 51 MET H H 1 8.293 0.020 . 1 . . . . 51 MET H . 26992 1 505 . 1 1 51 51 MET HA H 1 4.522 0.020 . 1 . . . . 51 MET HA . 26992 1 506 . 1 1 51 51 MET HB2 H 1 2.226 0.020 . 2 . . . . 51 MET HB2 . 26992 1 507 . 1 1 51 51 MET HB3 H 1 2.226 0.020 . 2 . . . . 51 MET HB3 . 26992 1 508 . 1 1 51 51 MET HG2 H 1 2.723 0.020 . 2 . . . . 51 MET HG2 . 26992 1 509 . 1 1 51 51 MET HG3 H 1 2.774 0.020 . 2 . . . . 51 MET HG3 . 26992 1 510 . 1 1 51 51 MET C C 13 174.467 0.400 . 1 . . . . 51 MET C . 26992 1 511 . 1 1 51 51 MET CA C 13 54.609 0.400 . 1 . . . . 51 MET CA . 26992 1 512 . 1 1 51 51 MET CB C 13 30.437 0.400 . 1 . . . . 51 MET CB . 26992 1 513 . 1 1 51 51 MET CG C 13 29.827 0.400 . 1 . . . . 51 MET CG . 26992 1 514 . 1 1 51 51 MET N N 15 119.945 0.400 . 1 . . . . 51 MET N . 26992 1 515 . 1 1 52 52 THR H H 1 8.039 0.020 . 1 . . . . 52 THR H . 26992 1 516 . 1 1 52 52 THR HA H 1 4.151 0.020 . 1 . . . . 52 THR HA . 26992 1 517 . 1 1 52 52 THR HB H 1 4.423 0.020 . 1 . . . . 52 THR HB . 26992 1 518 . 1 1 52 52 THR C C 13 172.920 0.400 . 1 . . . . 52 THR C . 26992 1 519 . 1 1 52 52 THR CA C 13 60.850 0.400 . 1 . . . . 52 THR CA . 26992 1 520 . 1 1 52 52 THR CB C 13 66.570 0.400 . 1 . . . . 52 THR CB . 26992 1 521 . 1 1 52 52 THR N N 15 110.567 0.400 . 1 . . . . 52 THR N . 26992 1 522 . 1 1 53 53 GLU H H 1 8.083 0.020 . 1 . . . . 53 GLU H . 26992 1 523 . 1 1 53 53 GLU HA H 1 4.294 0.020 . 1 . . . . 53 GLU HA . 26992 1 524 . 1 1 53 53 GLU HB2 H 1 1.986 0.020 . 2 . . . . 53 GLU HB2 . 26992 1 525 . 1 1 53 53 GLU HB3 H 1 1.986 0.020 . 2 . . . . 53 GLU HB3 . 26992 1 526 . 1 1 53 53 GLU HG2 H 1 2.273 0.020 . 2 . . . . 53 GLU HG2 . 26992 1 527 . 1 1 53 53 GLU HG3 H 1 2.273 0.020 . 2 . . . . 53 GLU HG3 . 26992 1 528 . 1 1 53 53 GLU C C 13 174.198 0.400 . 1 . . . . 53 GLU C . 26992 1 529 . 1 1 53 53 GLU CA C 13 55.005 0.400 . 1 . . . . 53 GLU CA . 26992 1 530 . 1 1 53 53 GLU CB C 13 26.931 0.400 . 1 . . . . 53 GLU CB . 26992 1 531 . 1 1 53 53 GLU CG C 13 32.890 0.400 . 1 . . . . 53 GLU CG . 26992 1 532 . 1 1 53 53 GLU N N 15 120.521 0.400 . 1 . . . . 53 GLU N . 26992 1 533 . 1 1 54 54 HIS H H 1 8.060 0.020 . 1 . . . . 54 HIS H . 26992 1 534 . 1 1 54 54 HIS HA H 1 4.859 0.020 . 1 . . . . 54 HIS HA . 26992 1 535 . 1 1 54 54 HIS HB2 H 1 3.397 0.020 . 2 . . . . 54 HIS HB2 . 26992 1 536 . 1 1 54 54 HIS HB3 H 1 3.112 0.020 . 2 . . . . 54 HIS HB3 . 26992 1 537 . 1 1 54 54 HIS C C 13 172.501 0.400 . 1 . . . . 54 HIS C . 26992 1 538 . 1 1 54 54 HIS CA C 13 53.253 0.400 . 1 . . . . 54 HIS CA . 26992 1 539 . 1 1 54 54 HIS CB C 13 26.556 0.400 . 1 . . . . 54 HIS CB . 26992 1 540 . 1 1 54 54 HIS N N 15 115.617 0.400 . 1 . . . . 54 HIS N . 26992 1 541 . 1 1 55 55 PHE H H 1 8.209 0.020 . 1 . . . . 55 PHE H . 26992 1 542 . 1 1 55 55 PHE HA H 1 4.670 0.020 . 1 . . . . 55 PHE HA . 26992 1 543 . 1 1 55 55 PHE HB2 H 1 3.362 0.020 . 2 . . . . 55 PHE HB2 . 26992 1 544 . 1 1 55 55 PHE HB3 H 1 3.267 0.020 . 2 . . . . 55 PHE HB3 . 26992 1 545 . 1 1 55 55 PHE C C 13 173.412 0.400 . 1 . . . . 55 PHE C . 26992 1 546 . 1 1 55 55 PHE CA C 13 56.345 0.400 . 1 . . . . 55 PHE CA . 26992 1 547 . 1 1 55 55 PHE CB C 13 36.502 0.400 . 1 . . . . 55 PHE CB . 26992 1 548 . 1 1 55 55 PHE N N 15 119.817 0.400 . 1 . . . . 55 PHE N . 26992 1 549 . 1 1 56 56 ASP H H 1 8.499 0.020 . 1 . . . . 56 ASP H . 26992 1 550 . 1 1 56 56 ASP HA H 1 4.500 0.020 . 1 . . . . 56 ASP HA . 26992 1 551 . 1 1 56 56 ASP HB2 H 1 2.843 0.020 . 2 . . . . 56 ASP HB2 . 26992 1 552 . 1 1 56 56 ASP HB3 H 1 2.843 0.020 . 2 . . . . 56 ASP HB3 . 26992 1 553 . 1 1 56 56 ASP C C 13 174.587 0.400 . 1 . . . . 56 ASP C . 26992 1 554 . 1 1 56 56 ASP CA C 13 53.588 0.400 . 1 . . . . 56 ASP CA . 26992 1 555 . 1 1 56 56 ASP CB C 13 37.311 0.400 . 1 . . . . 56 ASP CB . 26992 1 556 . 1 1 56 56 ASP N N 15 118.735 0.400 . 1 . . . . 56 ASP N . 26992 1 557 . 1 1 57 57 ASN H H 1 8.218 0.020 . 1 . . . . 57 ASN H . 26992 1 558 . 1 1 57 57 ASN HA H 1 4.750 0.020 . 1 . . . . 57 ASN HA . 26992 1 559 . 1 1 57 57 ASN HB2 H 1 2.993 0.020 . 2 . . . . 57 ASN HB2 . 26992 1 560 . 1 1 57 57 ASN HB3 H 1 2.993 0.020 . 2 . . . . 57 ASN HB3 . 26992 1 561 . 1 1 57 57 ASN C C 13 173.739 0.400 . 1 . . . . 57 ASN C . 26992 1 562 . 1 1 57 57 ASN CA C 13 52.222 0.400 . 1 . . . . 57 ASN CA . 26992 1 563 . 1 1 57 57 ASN CB C 13 36.186 0.400 . 1 . . . . 57 ASN CB . 26992 1 564 . 1 1 57 57 ASN N N 15 116.863 0.400 . 1 . . . . 57 ASN N . 26992 1 565 . 1 1 58 58 VAL H H 1 7.951 0.020 . 1 . . . . 58 VAL H . 26992 1 566 . 1 1 58 58 VAL HA H 1 3.978 0.020 . 1 . . . . 58 VAL HA . 26992 1 567 . 1 1 58 58 VAL HB H 1 2.295 0.020 . 1 . . . . 58 VAL HB . 26992 1 568 . 1 1 58 58 VAL HG11 H 1 1.050 0.020 . 2 . . . . 58 VAL HG11 . 26992 1 569 . 1 1 58 58 VAL HG12 H 1 1.050 0.020 . 2 . . . . 58 VAL HG12 . 26992 1 570 . 1 1 58 58 VAL HG13 H 1 1.050 0.020 . 2 . . . . 58 VAL HG13 . 26992 1 571 . 1 1 58 58 VAL HG21 H 1 1.147 0.020 . 2 . . . . 58 VAL HG21 . 26992 1 572 . 1 1 58 58 VAL HG22 H 1 1.147 0.020 . 2 . . . . 58 VAL HG22 . 26992 1 573 . 1 1 58 58 VAL HG23 H 1 1.147 0.020 . 2 . . . . 58 VAL HG23 . 26992 1 574 . 1 1 58 58 VAL C C 13 173.962 0.400 . 1 . . . . 58 VAL C . 26992 1 575 . 1 1 58 58 VAL CA C 13 62.221 0.400 . 1 . . . . 58 VAL CA . 26992 1 576 . 1 1 58 58 VAL CB C 13 29.499 0.400 . 1 . . . . 58 VAL CB . 26992 1 577 . 1 1 58 58 VAL CG1 C 13 19.128 0.400 . 2 . . . . 58 VAL CG1 . 26992 1 578 . 1 1 58 58 VAL CG2 C 13 18.734 0.400 . 2 . . . . 58 VAL CG2 . 26992 1 579 . 1 1 58 58 VAL N N 15 118.236 0.400 . 1 . . . . 58 VAL N . 26992 1 580 . 1 1 59 59 LEU H H 1 7.987 0.020 . 1 . . . . 59 LEU H . 26992 1 581 . 1 1 59 59 LEU C C 13 175.170 0.400 . 1 . . . . 59 LEU C . 26992 1 582 . 1 1 59 59 LEU CA C 13 53.923 0.400 . 1 . . . . 59 LEU CA . 26992 1 583 . 1 1 59 59 LEU N N 15 120.053 0.400 . 1 . . . . 59 LEU N . 26992 1 584 . 1 1 60 60 THR H H 1 7.903 0.020 . 1 . . . . 60 THR H . 26992 1 585 . 1 1 60 60 THR HA H 1 4.382 0.020 . 1 . . . . 60 THR HA . 26992 1 586 . 1 1 60 60 THR HB H 1 4.487 0.020 . 1 . . . . 60 THR HB . 26992 1 587 . 1 1 60 60 THR HG21 H 1 1.353 0.020 . 1 . . . . 60 THR HG21 . 26992 1 588 . 1 1 60 60 THR HG22 H 1 1.353 0.020 . 1 . . . . 60 THR HG22 . 26992 1 589 . 1 1 60 60 THR HG23 H 1 1.353 0.020 . 1 . . . . 60 THR HG23 . 26992 1 590 . 1 1 60 60 THR C C 13 173.618 0.400 . 1 . . . . 60 THR C . 26992 1 591 . 1 1 60 60 THR CA C 13 61.059 0.400 . 1 . . . . 60 THR CA . 26992 1 592 . 1 1 60 60 THR N N 15 113.865 0.400 . 1 . . . . 60 THR N . 26992 1 593 . 1 1 61 61 VAL H H 1 8.199 0.020 . 1 . . . . 61 VAL H . 26992 1 594 . 1 1 61 61 VAL HA H 1 3.901 0.020 . 1 . . . . 61 VAL HA . 26992 1 595 . 1 1 61 61 VAL HB H 1 2.289 0.020 . 1 . . . . 61 VAL HB . 26992 1 596 . 1 1 61 61 VAL HG11 H 1 1.165 0.020 . 2 . . . . 61 VAL HG11 . 26992 1 597 . 1 1 61 61 VAL HG12 H 1 1.165 0.020 . 2 . . . . 61 VAL HG12 . 26992 1 598 . 1 1 61 61 VAL HG13 H 1 1.165 0.020 . 2 . . . . 61 VAL HG13 . 26992 1 599 . 1 1 61 61 VAL HG21 H 1 1.068 0.020 . 2 . . . . 61 VAL HG21 . 26992 1 600 . 1 1 61 61 VAL HG22 H 1 1.068 0.020 . 2 . . . . 61 VAL HG22 . 26992 1 601 . 1 1 61 61 VAL HG23 H 1 1.068 0.020 . 2 . . . . 61 VAL HG23 . 26992 1 602 . 1 1 61 61 VAL C C 13 174.939 0.400 . 1 . . . . 61 VAL C . 26992 1 603 . 1 1 61 61 VAL CA C 13 63.304 0.400 . 1 . . . . 61 VAL CA . 26992 1 604 . 1 1 61 61 VAL CB C 13 29.194 0.400 . 1 . . . . 61 VAL CB . 26992 1 605 . 1 1 61 61 VAL CG1 C 13 20.774 0.400 . 2 . . . . 61 VAL CG1 . 26992 1 606 . 1 1 61 61 VAL CG2 C 13 18.878 0.400 . 2 . . . . 61 VAL CG2 . 26992 1 607 . 1 1 61 61 VAL N N 15 120.954 0.400 . 1 . . . . 61 VAL N . 26992 1 608 . 1 1 62 62 GLY H H 1 8.655 0.020 . 1 . . . . 62 GLY H . 26992 1 609 . 1 1 62 62 GLY HA2 H 1 3.916 0.020 . 2 . . . . 62 GLY HA2 . 26992 1 610 . 1 1 62 62 GLY HA3 H 1 3.812 0.020 . 2 . . . . 62 GLY HA3 . 26992 1 611 . 1 1 62 62 GLY C C 13 172.362 0.400 . 1 . . . . 62 GLY C . 26992 1 612 . 1 1 62 62 GLY CA C 13 44.851 0.400 . 1 . . . . 62 GLY CA . 26992 1 613 . 1 1 62 62 GLY N N 15 107.433 0.400 . 1 . . . . 62 GLY N . 26992 1 614 . 1 1 63 63 ASN H H 1 8.246 0.020 . 1 . . . . 63 ASN H . 26992 1 615 . 1 1 63 63 ASN HA H 1 4.700 0.020 . 1 . . . . 63 ASN HA . 26992 1 616 . 1 1 63 63 ASN HB2 H 1 3.054 0.020 . 2 . . . . 63 ASN HB2 . 26992 1 617 . 1 1 63 63 ASN HB3 H 1 3.017 0.020 . 2 . . . . 63 ASN HB3 . 26992 1 618 . 1 1 63 63 ASN HD21 H 1 7.679 0.020 . 2 . . . . 63 ASN HD21 . 26992 1 619 . 1 1 63 63 ASN HD22 H 1 7.032 0.020 . 2 . . . . 63 ASN HD22 . 26992 1 620 . 1 1 63 63 ASN C C 13 175.218 0.400 . 1 . . . . 63 ASN C . 26992 1 621 . 1 1 63 63 ASN CA C 13 53.304 0.400 . 1 . . . . 63 ASN CA . 26992 1 622 . 1 1 63 63 ASN CB C 13 36.123 0.400 . 1 . . . . 63 ASN CB . 26992 1 623 . 1 1 63 63 ASN N N 15 118.784 0.400 . 1 . . . . 63 ASN N . 26992 1 624 . 1 1 63 63 ASN ND2 N 15 112.133 0.400 . 1 . . . . 63 ASN ND2 . 26992 1 625 . 1 1 64 64 LEU H H 1 8.107 0.020 . 1 . . . . 64 LEU H . 26992 1 626 . 1 1 64 64 LEU HA H 1 4.290 0.020 . 1 . . . . 64 LEU HA . 26992 1 627 . 1 1 64 64 LEU HB2 H 1 2.086 0.020 . 2 . . . . 64 LEU HB2 . 26992 1 628 . 1 1 64 64 LEU HB3 H 1 1.967 0.020 . 2 . . . . 64 LEU HB3 . 26992 1 629 . 1 1 64 64 LEU HG H 1 1.784 0.020 . 1 . . . . 64 LEU HG . 26992 1 630 . 1 1 64 64 LEU HD11 H 1 1.352 0.020 . 2 . . . . 64 LEU HD11 . 26992 1 631 . 1 1 64 64 LEU HD12 H 1 1.352 0.020 . 2 . . . . 64 LEU HD12 . 26992 1 632 . 1 1 64 64 LEU HD13 H 1 1.352 0.020 . 2 . . . . 64 LEU HD13 . 26992 1 633 . 1 1 64 64 LEU HD21 H 1 1.049 0.020 . 2 . . . . 64 LEU HD21 . 26992 1 634 . 1 1 64 64 LEU HD22 H 1 1.049 0.020 . 2 . . . . 64 LEU HD22 . 26992 1 635 . 1 1 64 64 LEU HD23 H 1 1.049 0.020 . 2 . . . . 64 LEU HD23 . 26992 1 636 . 1 1 64 64 LEU C C 13 176.045 0.400 . 1 . . . . 64 LEU C . 26992 1 637 . 1 1 64 64 LEU CA C 13 55.443 0.400 . 1 . . . . 64 LEU CA . 26992 1 638 . 1 1 64 64 LEU CB C 13 39.529 0.400 . 1 . . . . 64 LEU CB . 26992 1 639 . 1 1 64 64 LEU CG C 13 26.699 0.400 . 1 . . . . 64 LEU CG . 26992 1 640 . 1 1 64 64 LEU CD2 C 13 22.694 0.400 . 2 . . . . 64 LEU CD2 . 26992 1 641 . 1 1 64 64 LEU N N 15 121.959 0.400 . 1 . . . . 64 LEU N . 26992 1 642 . 1 1 65 65 VAL H H 1 8.260 0.020 . 1 . . . . 65 VAL H . 26992 1 643 . 1 1 65 65 VAL HA H 1 3.790 0.020 . 1 . . . . 65 VAL HA . 26992 1 644 . 1 1 65 65 VAL HB H 1 2.248 0.020 . 1 . . . . 65 VAL HB . 26992 1 645 . 1 1 65 65 VAL HG11 H 1 1.111 0.020 . 2 . . . . 65 VAL HG11 . 26992 1 646 . 1 1 65 65 VAL HG12 H 1 1.111 0.020 . 2 . . . . 65 VAL HG12 . 26992 1 647 . 1 1 65 65 VAL HG13 H 1 1.111 0.020 . 2 . . . . 65 VAL HG13 . 26992 1 648 . 1 1 65 65 VAL HG21 H 1 0.930 0.020 . 2 . . . . 65 VAL HG21 . 26992 1 649 . 1 1 65 65 VAL HG22 H 1 0.930 0.020 . 2 . . . . 65 VAL HG22 . 26992 1 650 . 1 1 65 65 VAL HG23 H 1 0.930 0.020 . 2 . . . . 65 VAL HG23 . 26992 1 651 . 1 1 65 65 VAL C C 13 174.767 0.400 . 1 . . . . 65 VAL C . 26992 1 652 . 1 1 65 65 VAL CA C 13 63.642 0.400 . 1 . . . . 65 VAL CA . 26992 1 653 . 1 1 65 65 VAL CB C 13 29.046 0.400 . 1 . . . . 65 VAL CB . 26992 1 654 . 1 1 65 65 VAL CG1 C 13 20.103 0.400 . 2 . . . . 65 VAL CG1 . 26992 1 655 . 1 1 65 65 VAL CG2 C 13 18.876 0.400 . 2 . . . . 65 VAL CG2 . 26992 1 656 . 1 1 65 65 VAL N N 15 118.352 0.400 . 1 . . . . 65 VAL N . 26992 1 657 . 1 1 66 66 PHE H H 1 8.341 0.020 . 1 . . . . 66 PHE H . 26992 1 658 . 1 1 66 66 PHE HA H 1 4.441 0.020 . 1 . . . . 66 PHE HA . 26992 1 659 . 1 1 66 66 PHE HB2 H 1 3.346 0.020 . 2 . . . . 66 PHE HB2 . 26992 1 660 . 1 1 66 66 PHE HB3 H 1 3.346 0.020 . 2 . . . . 66 PHE HB3 . 26992 1 661 . 1 1 66 66 PHE C C 13 174.735 0.400 . 1 . . . . 66 PHE C . 26992 1 662 . 1 1 66 66 PHE CA C 13 58.381 0.400 . 1 . . . . 66 PHE CA . 26992 1 663 . 1 1 66 66 PHE N N 15 118.405 0.400 . 1 . . . . 66 PHE N . 26992 1 664 . 1 1 67 67 THR H H 1 8.274 0.020 . 1 . . . . 67 THR H . 26992 1 665 . 1 1 67 67 THR HA H 1 4.201 0.020 . 1 . . . . 67 THR HA . 26992 1 666 . 1 1 67 67 THR HB H 1 4.479 0.020 . 1 . . . . 67 THR HB . 26992 1 667 . 1 1 67 67 THR HG21 H 1 1.423 0.020 . 1 . . . . 67 THR HG21 . 26992 1 668 . 1 1 67 67 THR HG22 H 1 1.423 0.020 . 1 . . . . 67 THR HG22 . 26992 1 669 . 1 1 67 67 THR HG23 H 1 1.423 0.020 . 1 . . . . 67 THR HG23 . 26992 1 670 . 1 1 67 67 THR C C 13 176.458 0.400 . 1 . . . . 67 THR C . 26992 1 671 . 1 1 67 67 THR CA C 13 63.506 0.400 . 1 . . . . 67 THR CA . 26992 1 672 . 1 1 67 67 THR CB C 13 66.648 0.400 . 1 . . . . 67 THR CB . 26992 1 673 . 1 1 67 67 THR CG2 C 13 19.267 0.400 . 1 . . . . 67 THR CG2 . 26992 1 674 . 1 1 67 67 THR N N 15 113.470 0.400 . 1 . . . . 67 THR N . 26992 1 675 . 1 1 72 72 ALA H H 1 8.524 0.020 . 1 . . . . 72 ALA H . 26992 1 676 . 1 1 72 72 ALA HA H 1 4.076 0.020 . 1 . . . . 72 ALA HA . 26992 1 677 . 1 1 72 72 ALA HB1 H 1 1.605 0.020 . 1 . . . . 72 ALA HB1 . 26992 1 678 . 1 1 72 72 ALA HB2 H 1 1.605 0.020 . 1 . . . . 72 ALA HB2 . 26992 1 679 . 1 1 72 72 ALA HB3 H 1 1.605 0.020 . 1 . . . . 72 ALA HB3 . 26992 1 680 . 1 1 72 72 ALA C C 13 176.335 0.400 . 1 . . . . 72 ALA C . 26992 1 681 . 1 1 72 72 ALA CA C 13 52.792 0.400 . 1 . . . . 72 ALA CA . 26992 1 682 . 1 1 72 72 ALA CB C 13 15.627 0.400 . 1 . . . . 72 ALA CB . 26992 1 683 . 1 1 72 72 ALA N N 15 123.628 0.400 . 1 . . . . 72 ALA N . 26992 1 684 . 1 1 73 73 GLU H H 1 8.488 0.020 . 1 . . . . 73 GLU H . 26992 1 685 . 1 1 73 73 GLU HA H 1 4.516 0.020 . 1 . . . . 73 GLU HA . 26992 1 686 . 1 1 73 73 GLU HB2 H 1 2.172 0.020 . 2 . . . . 73 GLU HB2 . 26992 1 687 . 1 1 73 73 GLU HB3 H 1 2.172 0.020 . 2 . . . . 73 GLU HB3 . 26992 1 688 . 1 1 73 73 GLU HG2 H 1 2.417 0.020 . 2 . . . . 73 GLU HG2 . 26992 1 689 . 1 1 73 73 GLU HG3 H 1 2.622 0.020 . 2 . . . . 73 GLU HG3 . 26992 1 690 . 1 1 73 73 GLU C C 13 175.702 0.400 . 1 . . . . 73 GLU C . 26992 1 691 . 1 1 73 73 GLU CA C 13 57.093 0.400 . 1 . . . . 73 GLU CA . 26992 1 692 . 1 1 73 73 GLU CG C 13 32.101 0.400 . 1 . . . . 73 GLU CG . 26992 1 693 . 1 1 73 73 GLU N N 15 116.136 0.400 . 1 . . . . 73 GLU N . 26992 1 694 . 1 1 74 74 MET H H 1 7.946 0.020 . 1 . . . . 74 MET H . 26992 1 695 . 1 1 74 74 MET C C 13 175.798 0.400 . 1 . . . . 74 MET C . 26992 1 696 . 1 1 74 74 MET CA C 13 55.754 0.400 . 1 . . . . 74 MET CA . 26992 1 697 . 1 1 74 74 MET N N 15 118.199 0.400 . 1 . . . . 74 MET N . 26992 1 698 . 1 1 75 75 VAL H H 1 8.056 0.020 . 1 . . . . 75 VAL H . 26992 1 699 . 1 1 75 75 VAL HA H 1 3.717 0.020 . 1 . . . . 75 VAL HA . 26992 1 700 . 1 1 75 75 VAL HB H 1 2.313 0.020 . 1 . . . . 75 VAL HB . 26992 1 701 . 1 1 75 75 VAL HG11 H 1 1.157 0.020 . 2 . . . . 75 VAL HG11 . 26992 1 702 . 1 1 75 75 VAL HG12 H 1 1.157 0.020 . 2 . . . . 75 VAL HG12 . 26992 1 703 . 1 1 75 75 VAL HG13 H 1 1.157 0.020 . 2 . . . . 75 VAL HG13 . 26992 1 704 . 1 1 75 75 VAL HG21 H 1 1.026 0.020 . 2 . . . . 75 VAL HG21 . 26992 1 705 . 1 1 75 75 VAL HG22 H 1 1.026 0.020 . 2 . . . . 75 VAL HG22 . 26992 1 706 . 1 1 75 75 VAL HG23 H 1 1.026 0.020 . 2 . . . . 75 VAL HG23 . 26992 1 707 . 1 1 75 75 VAL C C 13 174.896 0.400 . 1 . . . . 75 VAL C . 26992 1 708 . 1 1 75 75 VAL CA C 13 64.180 0.400 . 1 . . . . 75 VAL CA . 26992 1 709 . 1 1 75 75 VAL CB C 13 29.018 0.400 . 1 . . . . 75 VAL CB . 26992 1 710 . 1 1 75 75 VAL CG1 C 13 20.633 0.400 . 2 . . . . 75 VAL CG1 . 26992 1 711 . 1 1 75 75 VAL CG2 C 13 19.212 0.400 . 2 . . . . 75 VAL CG2 . 26992 1 712 . 1 1 75 75 VAL N N 15 118.800 0.400 . 1 . . . . 75 VAL N . 26992 1 713 . 1 1 76 76 LEU H H 1 8.215 0.020 . 1 . . . . 76 LEU H . 26992 1 714 . 1 1 76 76 LEU HA H 1 4.095 0.020 . 1 . . . . 76 LEU HA . 26992 1 715 . 1 1 76 76 LEU HB2 H 1 1.946 0.020 . 2 . . . . 76 LEU HB2 . 26992 1 716 . 1 1 76 76 LEU HG H 1 1.654 0.020 . 1 . . . . 76 LEU HG . 26992 1 717 . 1 1 76 76 LEU HD11 H 1 0.974 0.020 . 2 . . . . 76 LEU HD1 . 26992 1 718 . 1 1 76 76 LEU HD12 H 1 0.974 0.020 . 2 . . . . 76 LEU HD1 . 26992 1 719 . 1 1 76 76 LEU HD13 H 1 0.974 0.020 . 2 . . . . 76 LEU HD1 . 26992 1 720 . 1 1 76 76 LEU HD21 H 1 0.974 0.020 . 2 . . . . 76 LEU HD2 . 26992 1 721 . 1 1 76 76 LEU HD22 H 1 0.974 0.020 . 2 . . . . 76 LEU HD2 . 26992 1 722 . 1 1 76 76 LEU HD23 H 1 0.974 0.020 . 2 . . . . 76 LEU HD2 . 26992 1 723 . 1 1 76 76 LEU C C 13 176.482 0.400 . 1 . . . . 76 LEU C . 26992 1 724 . 1 1 76 76 LEU CA C 13 55.521 0.400 . 1 . . . . 76 LEU CA . 26992 1 725 . 1 1 76 76 LEU CB C 13 39.060 0.400 . 1 . . . . 76 LEU CB . 26992 1 726 . 1 1 76 76 LEU CG C 13 24.822 0.400 . 1 . . . . 76 LEU CG . 26992 1 727 . 1 1 76 76 LEU CD1 C 13 22.506 0.400 . 2 . . . . 76 LEU CD1 . 26992 1 728 . 1 1 76 76 LEU N N 15 118.781 0.400 . 1 . . . . 76 LEU N . 26992 1 729 . 1 1 77 77 LYS H H 1 7.851 0.020 . 1 . . . . 77 LYS H . 26992 1 730 . 1 1 77 77 LYS C C 13 175.949 0.400 . 1 . . . . 77 LYS C . 26992 1 731 . 1 1 77 77 LYS CA C 13 56.809 0.400 . 1 . . . . 77 LYS CA . 26992 1 732 . 1 1 77 77 LYS CB C 13 29.745 0.400 . 1 . . . . 77 LYS CB . 26992 1 733 . 1 1 77 77 LYS N N 15 117.902 0.400 . 1 . . . . 77 LYS N . 26992 1 734 . 1 1 78 78 LEU H H 1 7.817 0.020 . 1 . . . . 78 LEU H . 26992 1 735 . 1 1 78 78 LEU HA H 1 4.256 0.020 . 1 . . . . 78 LEU HA . 26992 1 736 . 1 1 78 78 LEU HB3 H 1 1.764 0.020 . 2 . . . . 78 LEU HB3 . 26992 1 737 . 1 1 78 78 LEU C C 13 176.551 0.400 . 1 . . . . 78 LEU C . 26992 1 738 . 1 1 78 78 LEU CA C 13 55.160 0.400 . 1 . . . . 78 LEU CA . 26992 1 739 . 1 1 78 78 LEU CB C 13 39.437 0.400 . 1 . . . . 78 LEU CB . 26992 1 740 . 1 1 78 78 LEU N N 15 119.155 0.400 . 1 . . . . 78 LEU N . 26992 1 741 . 1 1 79 79 ILE H H 1 8.015 0.020 . 1 . . . . 79 ILE H . 26992 1 742 . 1 1 79 79 ILE HA H 1 3.887 0.020 . 1 . . . . 79 ILE HA . 26992 1 743 . 1 1 79 79 ILE HB H 1 2.027 0.020 . 1 . . . . 79 ILE HB . 26992 1 744 . 1 1 79 79 ILE HG12 H 1 1.340 0.020 . 2 . . . . 79 ILE HG12 . 26992 1 745 . 1 1 79 79 ILE HG13 H 1 1.675 0.020 . 2 . . . . 79 ILE HG13 . 26992 1 746 . 1 1 79 79 ILE HG21 H 1 0.969 0.020 . 1 . . . . 79 ILE HG21 . 26992 1 747 . 1 1 79 79 ILE HG22 H 1 0.969 0.020 . 1 . . . . 79 ILE HG22 . 26992 1 748 . 1 1 79 79 ILE HG23 H 1 0.969 0.020 . 1 . . . . 79 ILE HG23 . 26992 1 749 . 1 1 79 79 ILE HD11 H 1 0.861 0.020 . 1 . . . . 79 ILE HD11 . 26992 1 750 . 1 1 79 79 ILE HD12 H 1 0.861 0.020 . 1 . . . . 79 ILE HD12 . 26992 1 751 . 1 1 79 79 ILE HD13 H 1 0.861 0.020 . 1 . . . . 79 ILE HD13 . 26992 1 752 . 1 1 79 79 ILE C C 13 174.099 0.400 . 1 . . . . 79 ILE C . 26992 1 753 . 1 1 79 79 ILE CA C 13 61.180 0.400 . 1 . . . . 79 ILE CA . 26992 1 754 . 1 1 79 79 ILE CB C 13 35.474 0.400 . 1 . . . . 79 ILE CB . 26992 1 755 . 1 1 79 79 ILE CG2 C 13 15.066 0.400 . 1 . . . . 79 ILE CG2 . 26992 1 756 . 1 1 79 79 ILE CD1 C 13 11.236 0.400 . 1 . . . . 79 ILE CD1 . 26992 1 757 . 1 1 79 79 ILE N N 15 115.978 0.400 . 1 . . . . 79 ILE N . 26992 1 758 . 1 1 80 80 ALA H H 1 7.814 0.020 . 1 . . . . 80 ALA H . 26992 1 759 . 1 1 80 80 ALA C C 13 175.335 0.400 . 1 . . . . 80 ALA C . 26992 1 760 . 1 1 80 80 ALA CA C 13 50.778 0.400 . 1 . . . . 80 ALA CA . 26992 1 761 . 1 1 80 80 ALA CB C 13 16.177 0.400 . 1 . . . . 80 ALA CB . 26992 1 762 . 1 1 80 80 ALA N N 15 120.290 0.400 . 1 . . . . 80 ALA N . 26992 1 763 . 1 1 81 81 MET H H 1 7.659 0.020 . 1 . . . . 81 MET H . 26992 1 764 . 1 1 81 81 MET HA H 1 4.452 0.020 . 1 . . . . 81 MET HA . 26992 1 765 . 1 1 81 81 MET HB2 H 1 2.270 0.020 . 2 . . . . 81 MET HB2 . 26992 1 766 . 1 1 81 81 MET HB3 H 1 2.270 0.020 . 2 . . . . 81 MET HB3 . 26992 1 767 . 1 1 81 81 MET HG2 H 1 2.853 0.020 . 2 . . . . 81 MET HG2 . 26992 1 768 . 1 1 81 81 MET HG3 H 1 2.723 0.020 . 2 . . . . 81 MET HG3 . 26992 1 769 . 1 1 81 81 MET CA C 13 54.077 0.400 . 1 . . . . 81 MET CA . 26992 1 770 . 1 1 81 81 MET CB C 13 29.736 0.400 . 1 . . . . 81 MET CB . 26992 1 771 . 1 1 81 81 MET N N 15 116.357 0.400 . 1 . . . . 81 MET N . 26992 1 772 . 1 1 82 82 ASP H H 1 8.001 0.020 . 1 . . . . 82 ASP H . 26992 1 773 . 1 1 82 82 ASP HA H 1 5.013 0.020 . 1 . . . . 82 ASP HA . 26992 1 774 . 1 1 82 82 ASP HB2 H 1 2.826 0.020 . 2 . . . . 82 ASP HB2 . 26992 1 775 . 1 1 82 82 ASP HB3 H 1 3.184 0.020 . 2 . . . . 82 ASP HB3 . 26992 1 776 . 1 1 82 82 ASP CA C 13 49.602 0.400 . 1 . . . . 82 ASP CA . 26992 1 777 . 1 1 82 82 ASP CB C 13 37.711 0.400 . 1 . . . . 82 ASP CB . 26992 1 778 . 1 1 82 82 ASP N N 15 116.802 0.400 . 1 . . . . 82 ASP N . 26992 1 779 . 1 1 83 83 PRO HA H 1 4.437 0.020 . 1 . . . . 83 PRO HA . 26992 1 780 . 1 1 83 83 PRO HB2 H 1 2.059 0.020 . 2 . . . . 83 PRO HB2 . 26992 1 781 . 1 1 83 83 PRO HB3 H 1 2.241 0.020 . 2 . . . . 83 PRO HB3 . 26992 1 782 . 1 1 83 83 PRO HG2 H 1 1.870 0.020 . 2 . . . . 83 PRO HG2 . 26992 1 783 . 1 1 83 83 PRO HG3 H 1 1.960 0.020 . 2 . . . . 83 PRO HG3 . 26992 1 784 . 1 1 83 83 PRO HD2 H 1 4.009 0.020 . 2 . . . . 83 PRO HD2 . 26992 1 785 . 1 1 83 83 PRO HD3 H 1 4.009 0.020 . 2 . . . . 83 PRO HD3 . 26992 1 786 . 1 1 83 83 PRO C C 13 175.007 0.400 . 1 . . . . 83 PRO C . 26992 1 787 . 1 1 83 83 PRO CA C 13 62.608 0.400 . 1 . . . . 83 PRO CA . 26992 1 788 . 1 1 83 83 PRO CB C 13 29.325 0.400 . 1 . . . . 83 PRO CB . 26992 1 789 . 1 1 83 83 PRO CG C 13 24.413 0.400 . 1 . . . . 83 PRO CG . 26992 1 790 . 1 1 83 83 PRO CD C 13 47.582 0.400 . 1 . . . . 83 PRO CD . 26992 1 791 . 1 1 84 84 TYR H H 1 8.139 0.020 . 1 . . . . 84 TYR H . 26992 1 792 . 1 1 84 84 TYR HA H 1 4.324 0.020 . 1 . . . . 84 TYR HA . 26992 1 793 . 1 1 84 84 TYR HB2 H 1 3.188 0.020 . 2 . . . . 84 TYR HB2 . 26992 1 794 . 1 1 84 84 TYR HB3 H 1 3.188 0.020 . 2 . . . . 84 TYR HB3 . 26992 1 795 . 1 1 84 84 TYR HD1 H 1 7.234 0.020 . 1 . . . . 84 TYR HD1 . 26992 1 796 . 1 1 84 84 TYR HD2 H 1 7.234 0.020 . 1 . . . . 84 TYR HD2 . 26992 1 797 . 1 1 84 84 TYR C C 13 175.111 0.400 . 1 . . . . 84 TYR C . 26992 1 798 . 1 1 84 84 TYR CA C 13 58.383 0.400 . 1 . . . . 84 TYR CA . 26992 1 799 . 1 1 84 84 TYR CB C 13 35.123 0.400 . 1 . . . . 84 TYR CB . 26992 1 800 . 1 1 84 84 TYR N N 15 116.357 0.400 . 1 . . . . 84 TYR N . 26992 1 801 . 1 1 85 85 GLU H H 1 7.824 0.020 . 1 . . . . 85 GLU H . 26992 1 802 . 1 1 85 85 GLU HA H 1 4.192 0.020 . 1 . . . . 85 GLU HA . 26992 1 803 . 1 1 85 85 GLU HB2 H 1 2.097 0.020 . 2 . . . . 85 GLU HB2 . 26992 1 804 . 1 1 85 85 GLU HB3 H 1 2.021 0.020 . 2 . . . . 85 GLU HB3 . 26992 1 805 . 1 1 85 85 GLU HG2 H 1 2.302 0.020 . 2 . . . . 85 GLU HG2 . 26992 1 806 . 1 1 85 85 GLU HG3 H 1 2.302 0.020 . 2 . . . . 85 GLU HG3 . 26992 1 807 . 1 1 85 85 GLU C C 13 175.659 0.400 . 1 . . . . 85 GLU C . 26992 1 808 . 1 1 85 85 GLU CA C 13 55.778 0.400 . 1 . . . . 85 GLU CA . 26992 1 809 . 1 1 85 85 GLU CB C 13 26.119 0.400 . 1 . . . . 85 GLU CB . 26992 1 810 . 1 1 85 85 GLU CG C 13 32.524 0.400 . 1 . . . . 85 GLU CG . 26992 1 811 . 1 1 85 85 GLU N N 15 118.023 0.400 . 1 . . . . 85 GLU N . 26992 1 812 . 1 1 86 86 TYR H H 1 7.668 0.020 . 1 . . . . 86 TYR H . 26992 1 813 . 1 1 86 86 TYR HA H 1 4.376 0.020 . 1 . . . . 86 TYR HA . 26992 1 814 . 1 1 86 86 TYR HB2 H 1 2.929 0.020 . 2 . . . . 86 TYR HB2 . 26992 1 815 . 1 1 86 86 TYR HB3 H 1 2.993 0.020 . 2 . . . . 86 TYR HB3 . 26992 1 816 . 1 1 86 86 TYR C C 13 174.757 0.400 . 1 . . . . 86 TYR C . 26992 1 817 . 1 1 86 86 TYR CA C 13 58.330 0.400 . 1 . . . . 86 TYR CA . 26992 1 818 . 1 1 86 86 TYR CB C 13 36.029 0.400 . 1 . . . . 86 TYR CB . 26992 1 819 . 1 1 86 86 TYR N N 15 117.482 0.400 . 1 . . . . 86 TYR N . 26992 1 820 . 1 1 87 87 PHE H H 1 8.203 0.020 . 1 . . . . 87 PHE H . 26992 1 821 . 1 1 87 87 PHE HA H 1 4.495 0.020 . 1 . . . . 87 PHE HA . 26992 1 822 . 1 1 87 87 PHE HB2 H 1 3.339 0.020 . 2 . . . . 87 PHE HB2 . 26992 1 823 . 1 1 87 87 PHE HB3 H 1 3.220 0.020 . 2 . . . . 87 PHE HB3 . 26992 1 824 . 1 1 87 87 PHE C C 13 174.230 0.400 . 1 . . . . 87 PHE C . 26992 1 825 . 1 1 87 87 PHE CA C 13 57.454 0.400 . 1 . . . . 87 PHE CA . 26992 1 826 . 1 1 87 87 PHE CB C 13 36.252 0.400 . 1 . . . . 87 PHE CB . 26992 1 827 . 1 1 87 87 PHE N N 15 118.265 0.400 . 1 . . . . 87 PHE N . 26992 1 828 . 1 1 88 88 GLN H H 1 8.092 0.020 . 1 . . . . 88 GLN H . 26992 1 829 . 1 1 88 88 GLN HA H 1 4.182 0.020 . 1 . . . . 88 GLN HA . 26992 1 830 . 1 1 88 88 GLN HE21 H 1 6.863 0.020 . 2 . . . . 88 GLN HE21 . 26992 1 831 . 1 1 88 88 GLN HE22 H 1 7.288 0.020 . 2 . . . . 88 GLN HE22 . 26992 1 832 . 1 1 88 88 GLN N N 15 117.788 0.400 . 1 . . . . 88 GLN N . 26992 1 833 . 1 1 88 88 GLN NE2 N 15 111.729 0.400 . 1 . . . . 88 GLN NE2 . 26992 1 834 . 1 1 89 89 GLN H H 1 8.070 0.020 . 1 . . . . 89 GLN H . 26992 1 835 . 1 1 89 89 GLN HA H 1 4.379 0.020 . 1 . . . . 89 GLN HA . 26992 1 836 . 1 1 89 89 GLN HB2 H 1 2.249 0.020 . 2 . . . . 89 GLN HB2 . 26992 1 837 . 1 1 89 89 GLN HB3 H 1 2.170 0.020 . 2 . . . . 89 GLN HB3 . 26992 1 838 . 1 1 89 89 GLN HG2 H 1 2.546 0.020 . 2 . . . . 89 GLN HG2 . 26992 1 839 . 1 1 89 89 GLN HG3 H 1 1.339 0.020 . 2 . . . . 89 GLN HG3 . 26992 1 840 . 1 1 89 89 GLN HE21 H 1 7.401 0.020 . 2 . . . . 89 GLN HE21 . 26992 1 841 . 1 1 89 89 GLN HE22 H 1 6.759 0.020 . 2 . . . . 89 GLN HE22 . 26992 1 842 . 1 1 89 89 GLN N N 15 117.781 0.400 . 1 . . . . 89 GLN N . 26992 1 843 . 1 1 89 89 GLN NE2 N 15 110.821 0.400 . 1 . . . . 89 GLN NE2 . 26992 1 844 . 1 1 90 90 GLY H H 1 8.397 0.020 . 1 . . . . 90 GLY H . 26992 1 845 . 1 1 90 90 GLY HA2 H 1 3.868 0.020 . 2 . . . . 90 GLY HA2 . 26992 1 846 . 1 1 90 90 GLY HA3 H 1 3.868 0.020 . 2 . . . . 90 GLY HA3 . 26992 1 847 . 1 1 90 90 GLY C C 13 171.803 0.400 . 1 . . . . 90 GLY C . 26992 1 848 . 1 1 90 90 GLY CA C 13 44.292 0.400 . 1 . . . . 90 GLY CA . 26992 1 849 . 1 1 90 90 GLY N N 15 107.546 0.400 . 1 . . . . 90 GLY N . 26992 1 850 . 1 1 91 91 TRP H H 1 8.393 0.020 . 1 . . . . 91 TRP H . 26992 1 851 . 1 1 91 91 TRP HA H 1 4.599 0.020 . 1 . . . . 91 TRP HA . 26992 1 852 . 1 1 91 91 TRP HB2 H 1 3.395 0.020 . 2 . . . . 91 TRP HB2 . 26992 1 853 . 1 1 91 91 TRP HB3 H 1 3.231 0.020 . 2 . . . . 91 TRP HB3 . 26992 1 854 . 1 1 91 91 TRP HD1 H 1 7.285 0.020 . 1 . . . . 91 TRP HD1 . 26992 1 855 . 1 1 91 91 TRP HE1 H 1 10.047 0.020 . 1 . . . . 91 TRP HE1 . 26992 1 856 . 1 1 91 91 TRP HZ2 H 1 7.502 0.020 . 1 . . . . 91 TRP HZ2 . 26992 1 857 . 1 1 91 91 TRP C C 13 174.305 0.400 . 1 . . . . 91 TRP C . 26992 1 858 . 1 1 91 91 TRP CA C 13 56.474 0.400 . 1 . . . . 91 TRP CA . 26992 1 859 . 1 1 91 91 TRP CB C 13 26.931 0.400 . 1 . . . . 91 TRP CB . 26992 1 860 . 1 1 91 91 TRP N N 15 121.803 0.400 . 1 . . . . 91 TRP N . 26992 1 861 . 1 1 91 91 TRP NE1 N 15 128.377 0.400 . 1 . . . . 91 TRP NE1 . 26992 1 862 . 1 1 92 92 ASN H H 1 8.311 0.020 . 1 . . . . 92 ASN H . 26992 1 863 . 1 1 92 92 ASN HA H 1 4.657 0.020 . 1 . . . . 92 ASN HA . 26992 1 864 . 1 1 92 92 ASN HB2 H 1 3.037 0.020 . 2 . . . . 92 ASN HB2 . 26992 1 865 . 1 1 92 92 ASN HB3 H 1 3.037 0.020 . 2 . . . . 92 ASN HB3 . 26992 1 866 . 1 1 92 92 ASN HD21 H 1 7.694 0.020 . 2 . . . . 92 ASN HD21 . 26992 1 867 . 1 1 92 92 ASN HD22 H 1 7.036 0.020 . 2 . . . . 92 ASN HD22 . 26992 1 868 . 1 1 92 92 ASN C C 13 175.014 0.400 . 1 . . . . 92 ASN C . 26992 1 869 . 1 1 92 92 ASN CA C 13 52.711 0.400 . 1 . . . . 92 ASN CA . 26992 1 870 . 1 1 92 92 ASN CB C 13 35.865 0.400 . 1 . . . . 92 ASN CB . 26992 1 871 . 1 1 92 92 ASN N N 15 117.937 0.400 . 1 . . . . 92 ASN N . 26992 1 872 . 1 1 92 92 ASN ND2 N 15 112.137 0.400 . 1 . . . . 92 ASN ND2 . 26992 1 873 . 1 1 93 93 ILE H H 1 8.072 0.020 . 1 . . . . 93 ILE H . 26992 1 874 . 1 1 93 93 ILE HA H 1 3.976 0.020 . 1 . . . . 93 ILE HA . 26992 1 875 . 1 1 93 93 ILE HB H 1 2.010 0.020 . 1 . . . . 93 ILE HB . 26992 1 876 . 1 1 93 93 ILE HG12 H 1 1.474 0.020 . 2 . . . . 93 ILE HG12 . 26992 1 877 . 1 1 93 93 ILE HG13 H 1 1.249 0.020 . 2 . . . . 93 ILE HG13 . 26992 1 878 . 1 1 93 93 ILE HG21 H 1 0.966 0.020 . 1 . . . . 93 ILE HG21 . 26992 1 879 . 1 1 93 93 ILE HG22 H 1 0.966 0.020 . 1 . . . . 93 ILE HG22 . 26992 1 880 . 1 1 93 93 ILE HG23 H 1 0.966 0.020 . 1 . . . . 93 ILE HG23 . 26992 1 881 . 1 1 93 93 ILE HD11 H 1 0.883 0.020 . 1 . . . . 93 ILE HD11 . 26992 1 882 . 1 1 93 93 ILE HD12 H 1 0.883 0.020 . 1 . . . . 93 ILE HD12 . 26992 1 883 . 1 1 93 93 ILE HD13 H 1 0.883 0.020 . 1 . . . . 93 ILE HD13 . 26992 1 884 . 1 1 93 93 ILE C C 13 174.606 0.400 . 1 . . . . 93 ILE C . 26992 1 885 . 1 1 93 93 ILE CA C 13 61.448 0.400 . 1 . . . . 93 ILE CA . 26992 1 886 . 1 1 93 93 ILE CB C 13 35.877 0.400 . 1 . . . . 93 ILE CB . 26992 1 887 . 1 1 93 93 ILE CG1 C 13 26.004 0.400 . 1 . . . . 93 ILE CG1 . 26992 1 888 . 1 1 93 93 ILE CG2 C 13 15.067 0.400 . 1 . . . . 93 ILE CG2 . 26992 1 889 . 1 1 93 93 ILE CD1 C 13 10.662 0.400 . 1 . . . . 93 ILE CD1 . 26992 1 890 . 1 1 93 93 ILE N N 15 120.498 0.400 . 1 . . . . 93 ILE N . 26992 1 891 . 1 1 94 94 PHE H H 1 8.246 0.020 . 1 . . . . 94 PHE H . 26992 1 892 . 1 1 94 94 PHE HA H 1 4.284 0.020 . 1 . . . . 94 PHE HA . 26992 1 893 . 1 1 94 94 PHE HB2 H 1 3.285 0.020 . 2 . . . . 94 PHE HB2 . 26992 1 894 . 1 1 94 94 PHE HB3 H 1 3.177 0.020 . 2 . . . . 94 PHE HB3 . 26992 1 895 . 1 1 94 94 PHE C C 13 174.198 0.400 . 1 . . . . 94 PHE C . 26992 1 896 . 1 1 94 94 PHE CA C 13 58.742 0.400 . 1 . . . . 94 PHE CA . 26992 1 897 . 1 1 94 94 PHE CB C 13 36.373 0.400 . 1 . . . . 94 PHE CB . 26992 1 898 . 1 1 94 94 PHE N N 15 120.778 0.400 . 1 . . . . 94 PHE N . 26992 1 899 . 1 1 95 95 ASP H H 1 8.531 0.020 . 1 . . . . 95 ASP H . 26992 1 900 . 1 1 95 95 ASP HA H 1 4.354 0.020 . 1 . . . . 95 ASP HA . 26992 1 901 . 1 1 95 95 ASP HB2 H 1 2.648 0.020 . 2 . . . . 95 ASP HB2 . 26992 1 902 . 1 1 95 95 ASP HB3 H 1 2.713 0.020 . 2 . . . . 95 ASP HB3 . 26992 1 903 . 1 1 95 95 ASP C C 13 175.090 0.400 . 1 . . . . 95 ASP C . 26992 1 904 . 1 1 95 95 ASP CA C 13 54.283 0.400 . 1 . . . . 95 ASP CA . 26992 1 905 . 1 1 95 95 ASP CB C 13 37.186 0.400 . 1 . . . . 95 ASP CB . 26992 1 906 . 1 1 95 95 ASP N N 15 117.724 0.400 . 1 . . . . 95 ASP N . 26992 1 907 . 1 1 96 96 SER H H 1 7.863 0.020 . 1 . . . . 96 SER H . 26992 1 908 . 1 1 96 96 SER HA H 1 4.387 0.020 . 1 . . . . 96 SER HA . 26992 1 909 . 1 1 96 96 SER HB2 H 1 4.165 0.020 . 2 . . . . 96 SER HB2 . 26992 1 910 . 1 1 96 96 SER HB3 H 1 4.041 0.020 . 2 . . . . 96 SER HB3 . 26992 1 911 . 1 1 96 96 SER C C 13 173.951 0.400 . 1 . . . . 96 SER C . 26992 1 912 . 1 1 96 96 SER CA C 13 59.077 0.400 . 1 . . . . 96 SER CA . 26992 1 913 . 1 1 96 96 SER CB C 13 60.822 0.400 . 1 . . . . 96 SER CB . 26992 1 914 . 1 1 96 96 SER N N 15 113.495 0.400 . 1 . . . . 96 SER N . 26992 1 915 . 1 1 97 97 ILE H H 1 8.071 0.020 . 1 . . . . 97 ILE H . 26992 1 916 . 1 1 97 97 ILE HA H 1 3.922 0.020 . 1 . . . . 97 ILE HA . 26992 1 917 . 1 1 97 97 ILE HB H 1 2.129 0.020 . 1 . . . . 97 ILE HB . 26992 1 918 . 1 1 97 97 ILE HG12 H 1 1.848 0.020 . 2 . . . . 97 ILE HG12 . 26992 1 919 . 1 1 97 97 ILE HG13 H 1 1.848 0.020 . 2 . . . . 97 ILE HG13 . 26992 1 920 . 1 1 97 97 ILE HG21 H 1 1.323 0.020 . 1 . . . . 97 ILE HG21 . 26992 1 921 . 1 1 97 97 ILE HG22 H 1 1.323 0.020 . 1 . . . . 97 ILE HG22 . 26992 1 922 . 1 1 97 97 ILE HG23 H 1 1.323 0.020 . 1 . . . . 97 ILE HG23 . 26992 1 923 . 1 1 97 97 ILE HD11 H 1 0.952 0.020 . 1 . . . . 97 ILE HD11 . 26992 1 924 . 1 1 97 97 ILE HD12 H 1 0.952 0.020 . 1 . . . . 97 ILE HD12 . 26992 1 925 . 1 1 97 97 ILE HD13 H 1 0.952 0.020 . 1 . . . . 97 ILE HD13 . 26992 1 926 . 1 1 97 97 ILE C C 13 174.499 0.400 . 1 . . . . 97 ILE C . 26992 1 927 . 1 1 97 97 ILE CA C 13 61.989 0.400 . 1 . . . . 97 ILE CA . 26992 1 928 . 1 1 97 97 ILE CB C 13 35.322 0.400 . 1 . . . . 97 ILE CB . 26992 1 929 . 1 1 97 97 ILE CG2 C 13 19.222 0.400 . 1 . . . . 97 ILE CG2 . 26992 1 930 . 1 1 97 97 ILE CD1 C 13 11.016 0.400 . 1 . . . . 97 ILE CD1 . 26992 1 931 . 1 1 97 97 ILE N N 15 122.778 0.400 . 1 . . . . 97 ILE N . 26992 1 932 . 1 1 98 98 ILE H H 1 8.016 0.020 . 1 . . . . 98 ILE H . 26992 1 933 . 1 1 98 98 ILE HA H 1 3.808 0.020 . 1 . . . . 98 ILE HA . 26992 1 934 . 1 1 98 98 ILE HB H 1 2.044 0.020 . 1 . . . . 98 ILE HB . 26992 1 935 . 1 1 98 98 ILE HG12 H 1 1.506 0.020 . 2 . . . . 98 ILE HG12 . 26992 1 936 . 1 1 98 98 ILE HG13 H 1 1.242 0.020 . 2 . . . . 98 ILE HG13 . 26992 1 937 . 1 1 98 98 ILE HG21 H 1 0.965 0.020 . 1 . . . . 98 ILE HG21 . 26992 1 938 . 1 1 98 98 ILE HG22 H 1 0.965 0.020 . 1 . . . . 98 ILE HG22 . 26992 1 939 . 1 1 98 98 ILE HG23 H 1 0.965 0.020 . 1 . . . . 98 ILE HG23 . 26992 1 940 . 1 1 98 98 ILE HD11 H 1 0.826 0.020 . 1 . . . . 98 ILE HD11 . 26992 1 941 . 1 1 98 98 ILE HD12 H 1 0.826 0.020 . 1 . . . . 98 ILE HD12 . 26992 1 942 . 1 1 98 98 ILE HD13 H 1 0.826 0.020 . 1 . . . . 98 ILE HD13 . 26992 1 943 . 1 1 98 98 ILE C C 13 175.820 0.400 . 1 . . . . 98 ILE C . 26992 1 944 . 1 1 98 98 ILE CA C 13 61.732 0.400 . 1 . . . . 98 ILE CA . 26992 1 945 . 1 1 98 98 ILE CB C 13 34.272 0.400 . 1 . . . . 98 ILE CB . 26992 1 946 . 1 1 98 98 ILE CG1 C 13 25.644 0.400 . 1 . . . . 98 ILE CG1 . 26992 1 947 . 1 1 98 98 ILE CG2 C 13 15.199 0.400 . 1 . . . . 98 ILE CG2 . 26992 1 948 . 1 1 98 98 ILE CD1 C 13 9.546 0.400 . 1 . . . . 98 ILE CD1 . 26992 1 949 . 1 1 98 98 ILE N N 15 119.803 0.400 . 1 . . . . 98 ILE N . 26992 1 950 . 1 1 99 99 VAL H H 1 7.998 0.020 . 1 . . . . 99 VAL H . 26992 1 951 . 1 1 99 99 VAL HA H 1 3.922 0.020 . 1 . . . . 99 VAL HA . 26992 1 952 . 1 1 99 99 VAL HB H 1 2.282 0.020 . 1 . . . . 99 VAL HB . 26992 1 953 . 1 1 99 99 VAL HG11 H 1 1.160 0.020 . 2 . . . . 99 VAL HG11 . 26992 1 954 . 1 1 99 99 VAL HG12 H 1 1.160 0.020 . 2 . . . . 99 VAL HG12 . 26992 1 955 . 1 1 99 99 VAL HG13 H 1 1.160 0.020 . 2 . . . . 99 VAL HG13 . 26992 1 956 . 1 1 99 99 VAL HG21 H 1 1.067 0.020 . 2 . . . . 99 VAL HG21 . 26992 1 957 . 1 1 99 99 VAL HG22 H 1 1.067 0.020 . 2 . . . . 99 VAL HG22 . 26992 1 958 . 1 1 99 99 VAL HG23 H 1 1.067 0.020 . 2 . . . . 99 VAL HG23 . 26992 1 959 . 1 1 99 99 VAL C C 13 175.774 0.400 . 1 . . . . 99 VAL C . 26992 1 960 . 1 1 99 99 VAL CA C 13 63.304 0.400 . 1 . . . . 99 VAL CA . 26992 1 961 . 1 1 99 99 VAL CB C 13 29.123 0.400 . 1 . . . . 99 VAL CB . 26992 1 962 . 1 1 99 99 VAL CG1 C 13 19.910 0.400 . 2 . . . . 99 VAL CG1 . 26992 1 963 . 1 1 99 99 VAL CG2 C 13 19.157 0.400 . 2 . . . . 99 VAL CG2 . 26992 1 964 . 1 1 99 99 VAL N N 15 119.274 0.400 . 1 . . . . 99 VAL N . 26992 1 965 . 1 1 100 100 THR H H 1 7.895 0.020 . 1 . . . . 100 THR H . 26992 1 966 . 1 1 100 100 THR HA H 1 4.087 0.020 . 1 . . . . 100 THR HA . 26992 1 967 . 1 1 100 100 THR HB H 1 4.396 0.020 . 1 . . . . 100 THR HB . 26992 1 968 . 1 1 100 100 THR HG21 H 1 1.312 0.020 . 1 . . . . 100 THR HG21 . 26992 1 969 . 1 1 100 100 THR HG22 H 1 1.312 0.020 . 1 . . . . 100 THR HG22 . 26992 1 970 . 1 1 100 100 THR HG23 H 1 1.312 0.020 . 1 . . . . 100 THR HG23 . 26992 1 971 . 1 1 100 100 THR C C 13 173.382 0.400 . 1 . . . . 100 THR C . 26992 1 972 . 1 1 100 100 THR CA C 13 63.845 0.400 . 1 . . . . 100 THR CA . 26992 1 973 . 1 1 100 100 THR CB C 13 66.285 0.400 . 1 . . . . 100 THR CB . 26992 1 974 . 1 1 100 100 THR CG2 C 13 19.334 0.400 . 1 . . . . 100 THR CG2 . 26992 1 975 . 1 1 100 100 THR N N 15 116.443 0.400 . 1 . . . . 100 THR N . 26992 1 976 . 1 1 101 101 LEU H H 1 8.357 0.020 . 1 . . . . 101 LEU H . 26992 1 977 . 1 1 101 101 LEU HA H 1 4.214 0.020 . 1 . . . . 101 LEU HA . 26992 1 978 . 1 1 101 101 LEU HB2 H 1 1.956 0.020 . 2 . . . . 101 LEU HB2 . 26992 1 979 . 1 1 101 101 LEU HB3 H 1 1.956 0.020 . 2 . . . . 101 LEU HB3 . 26992 1 980 . 1 1 101 101 LEU HG H 1 1.708 0.020 . 1 . . . . 101 LEU HG . 26992 1 981 . 1 1 101 101 LEU HD11 H 1 1.030 0.020 . 2 . . . . 101 LEU HD11 . 26992 1 982 . 1 1 101 101 LEU HD12 H 1 1.030 0.020 . 2 . . . . 101 LEU HD12 . 26992 1 983 . 1 1 101 101 LEU HD13 H 1 1.030 0.020 . 2 . . . . 101 LEU HD13 . 26992 1 984 . 1 1 101 101 LEU HD21 H 1 0.987 0.020 . 2 . . . . 101 LEU HD21 . 26992 1 985 . 1 1 101 101 LEU HD22 H 1 0.987 0.020 . 2 . . . . 101 LEU HD22 . 26992 1 986 . 1 1 101 101 LEU HD23 H 1 0.987 0.020 . 2 . . . . 101 LEU HD23 . 26992 1 987 . 1 1 101 101 LEU C C 13 175.423 0.400 . 1 . . . . 101 LEU C . 26992 1 988 . 1 1 101 101 LEU CA C 13 54.722 0.400 . 1 . . . . 101 LEU CA . 26992 1 989 . 1 1 101 101 LEU CB C 13 39.089 0.400 . 1 . . . . 101 LEU CB . 26992 1 990 . 1 1 101 101 LEU CG C 13 26.554 0.400 . 1 . . . . 101 LEU CG . 26992 1 991 . 1 1 101 101 LEU CD1 C 13 21.354 0.400 . 2 . . . . 101 LEU CD1 . 26992 1 992 . 1 1 101 101 LEU CD2 C 13 22.757 0.400 . 2 . . . . 101 LEU CD2 . 26992 1 993 . 1 1 101 101 LEU N N 15 120.678 0.400 . 1 . . . . 101 LEU N . 26992 1 994 . 1 1 102 102 SER H H 1 8.146 0.020 . 1 . . . . 102 SER H . 26992 1 995 . 1 1 102 102 SER HA H 1 4.408 0.020 . 1 . . . . 102 SER HA . 26992 1 996 . 1 1 102 102 SER HB2 H 1 4.139 0.020 . 2 . . . . 102 SER HB2 . 26992 1 997 . 1 1 102 102 SER HB3 H 1 4.187 0.020 . 2 . . . . 102 SER HB3 . 26992 1 998 . 1 1 102 102 SER C C 13 173.403 0.400 . 1 . . . . 102 SER C . 26992 1 999 . 1 1 102 102 SER CA C 13 58.536 0.400 . 1 . . . . 102 SER CA . 26992 1 1000 . 1 1 102 102 SER CB C 13 60.462 0.400 . 1 . . . . 102 SER CB . 26992 1 1001 . 1 1 102 102 SER N N 15 114.585 0.400 . 1 . . . . 102 SER N . 26992 1 1002 . 1 1 103 103 LEU H H 1 7.960 0.020 . 1 . . . . 103 LEU H . 26992 1 1003 . 1 1 103 103 LEU HA H 1 4.311 0.020 . 1 . . . . 103 LEU HA . 26992 1 1004 . 1 1 103 103 LEU HB2 H 1 1.711 0.020 . 2 . . . . 103 LEU HB2 . 26992 1 1005 . 1 1 103 103 LEU HB3 H 1 1.925 0.020 . 2 . . . . 103 LEU HB3 . 26992 1 1006 . 1 1 103 103 LEU HG H 1 1.532 0.020 . 1 . . . . 103 LEU HG . 26992 1 1007 . 1 1 103 103 LEU HD11 H 1 0.989 0.020 . 2 . . . . 103 LEU HD11 . 26992 1 1008 . 1 1 103 103 LEU HD12 H 1 0.989 0.020 . 2 . . . . 103 LEU HD12 . 26992 1 1009 . 1 1 103 103 LEU HD13 H 1 0.989 0.020 . 2 . . . . 103 LEU HD13 . 26992 1 1010 . 1 1 103 103 LEU HD21 H 1 1.039 0.020 . 2 . . . . 103 LEU HD21 . 26992 1 1011 . 1 1 103 103 LEU HD22 H 1 1.039 0.020 . 2 . . . . 103 LEU HD22 . 26992 1 1012 . 1 1 103 103 LEU HD23 H 1 1.039 0.020 . 2 . . . . 103 LEU HD23 . 26992 1 1013 . 1 1 103 103 LEU C C 13 176.346 0.400 . 1 . . . . 103 LEU C . 26992 1 1014 . 1 1 103 103 LEU CA C 13 54.850 0.400 . 1 . . . . 103 LEU CA . 26992 1 1015 . 1 1 103 103 LEU CB C 13 39.437 0.400 . 1 . . . . 103 LEU CB . 26992 1 1016 . 1 1 103 103 LEU CD1 C 13 22.906 0.400 . 2 . . . . 103 LEU CD1 . 26992 1 1017 . 1 1 103 103 LEU CD2 C 13 22.578 0.400 . 2 . . . . 103 LEU CD2 . 26992 1 1018 . 1 1 103 103 LEU N N 15 121.717 0.400 . 1 . . . . 103 LEU N . 26992 1 1019 . 1 1 104 104 VAL H H 1 8.033 0.020 . 1 . . . . 104 VAL H . 26992 1 1020 . 1 1 104 104 VAL HA H 1 3.853 0.020 . 1 . . . . 104 VAL HA . 26992 1 1021 . 1 1 104 104 VAL HB H 1 2.368 0.020 . 1 . . . . 104 VAL HB . 26992 1 1022 . 1 1 104 104 VAL HG11 H 1 1.153 0.020 . 2 . . . . 104 VAL HG11 . 26992 1 1023 . 1 1 104 104 VAL HG12 H 1 1.153 0.020 . 2 . . . . 104 VAL HG12 . 26992 1 1024 . 1 1 104 104 VAL HG13 H 1 1.153 0.020 . 2 . . . . 104 VAL HG13 . 26992 1 1025 . 1 1 104 104 VAL HG21 H 1 1.047 0.020 . 2 . . . . 104 VAL HG21 . 26992 1 1026 . 1 1 104 104 VAL HG22 H 1 1.047 0.020 . 2 . . . . 104 VAL HG22 . 26992 1 1027 . 1 1 104 104 VAL HG23 H 1 1.047 0.020 . 2 . . . . 104 VAL HG23 . 26992 1 1028 . 1 1 104 104 VAL C C 13 174.768 0.400 . 1 . . . . 104 VAL C . 26992 1 1029 . 1 1 104 104 VAL CA C 13 63.098 0.400 . 1 . . . . 104 VAL CA . 26992 1 1030 . 1 1 104 104 VAL CB C 13 29.235 0.400 . 1 . . . . 104 VAL CB . 26992 1 1031 . 1 1 104 104 VAL CG1 C 13 19.773 0.400 . 2 . . . . 104 VAL CG1 . 26992 1 1032 . 1 1 104 104 VAL CG2 C 13 18.975 0.400 . 2 . . . . 104 VAL CG2 . 26992 1 1033 . 1 1 104 104 VAL N N 15 118.407 0.400 . 1 . . . . 104 VAL N . 26992 1 1034 . 1 1 105 105 GLU H H 1 8.286 0.020 . 1 . . . . 105 GLU H . 26992 1 1035 . 1 1 105 105 GLU HA H 1 4.124 0.020 . 1 . . . . 105 GLU HA . 26992 1 1036 . 1 1 105 105 GLU HB2 H 1 2.269 0.020 . 2 . . . . 105 GLU HB2 . 26992 1 1037 . 1 1 105 105 GLU HB3 H 1 2.269 0.020 . 2 . . . . 105 GLU HB3 . 26992 1 1038 . 1 1 105 105 GLU HG2 H 1 2.582 0.020 . 2 . . . . 105 GLU HG2 . 26992 1 1039 . 1 1 105 105 GLU HG3 H 1 2.442 0.020 . 2 . . . . 105 GLU HG3 . 26992 1 1040 . 1 1 105 105 GLU C C 13 175.272 0.400 . 1 . . . . 105 GLU C . 26992 1 1041 . 1 1 105 105 GLU CA C 13 56.371 0.400 . 1 . . . . 105 GLU CA . 26992 1 1042 . 1 1 105 105 GLU CB C 13 26.060 0.400 . 1 . . . . 105 GLU CB . 26992 1 1043 . 1 1 105 105 GLU CG C 13 32.101 0.400 . 1 . . . . 105 GLU CG . 26992 1 1044 . 1 1 105 105 GLU N N 15 119.340 0.400 . 1 . . . . 105 GLU N . 26992 1 1045 . 1 1 106 106 LEU H H 1 7.966 0.020 . 1 . . . . 106 LEU H . 26992 1 1046 . 1 1 106 106 LEU HA H 1 4.313 0.020 . 1 . . . . 106 LEU HA . 26992 1 1047 . 1 1 106 106 LEU HB2 H 1 1.946 0.020 . 2 . . . . 106 LEU HB2 . 26992 1 1048 . 1 1 106 106 LEU HB3 H 1 1.808 0.020 . 2 . . . . 106 LEU HB3 . 26992 1 1049 . 1 1 106 106 LEU HG H 1 1.696 0.020 . 1 . . . . 106 LEU HG . 26992 1 1050 . 1 1 106 106 LEU HD11 H 1 1.002 0.020 . 2 . . . . 106 LEU HD11 . 26992 1 1051 . 1 1 106 106 LEU HD12 H 1 1.002 0.020 . 2 . . . . 106 LEU HD12 . 26992 1 1052 . 1 1 106 106 LEU HD13 H 1 1.002 0.020 . 2 . . . . 106 LEU HD13 . 26992 1 1053 . 1 1 106 106 LEU HD21 H 1 1.039 0.020 . 2 . . . . 106 LEU HD21 . 26992 1 1054 . 1 1 106 106 LEU HD22 H 1 1.039 0.020 . 2 . . . . 106 LEU HD22 . 26992 1 1055 . 1 1 106 106 LEU HD23 H 1 1.039 0.020 . 2 . . . . 106 LEU HD23 . 26992 1 1056 . 1 1 106 106 LEU C C 13 176.292 0.400 . 1 . . . . 106 LEU C . 26992 1 1057 . 1 1 106 106 LEU CA C 13 54.464 0.400 . 1 . . . . 106 LEU CA . 26992 1 1058 . 1 1 106 106 LEU CB C 13 39.691 0.400 . 1 . . . . 106 LEU CB . 26992 1 1059 . 1 1 106 106 LEU CG C 13 24.610 0.400 . 1 . . . . 106 LEU CG . 26992 1 1060 . 1 1 106 106 LEU CD1 C 13 22.861 0.400 . 2 . . . . 106 LEU CD1 . 26992 1 1061 . 1 1 106 106 LEU CD2 C 13 22.645 0.400 . 2 . . . . 106 LEU CD2 . 26992 1 1062 . 1 1 106 106 LEU N N 15 119.635 0.400 . 1 . . . . 106 LEU N . 26992 1 1063 . 1 1 107 107 GLY H H 1 8.285 0.020 . 1 . . . . 107 GLY H . 26992 1 1064 . 1 1 107 107 GLY HA2 H 1 4.041 0.020 . 2 . . . . 107 GLY HA2 . 26992 1 1065 . 1 1 107 107 GLY HA3 H 1 3.879 0.020 . 2 . . . . 107 GLY HA3 . 26992 1 1066 . 1 1 107 107 GLY C C 13 172.662 0.400 . 1 . . . . 107 GLY C . 26992 1 1067 . 1 1 107 107 GLY CA C 13 44.335 0.400 . 1 . . . . 107 GLY CA . 26992 1 1068 . 1 1 107 107 GLY N N 15 106.739 0.400 . 1 . . . . 107 GLY N . 26992 1 1069 . 1 1 108 108 LEU H H 1 8.257 0.020 . 1 . . . . 108 LEU H . 26992 1 1070 . 1 1 108 108 LEU HA H 1 4.297 0.020 . 1 . . . . 108 LEU HA . 26992 1 1071 . 1 1 108 108 LEU HB2 H 1 1.908 0.020 . 2 . . . . 108 LEU HB2 . 26992 1 1072 . 1 1 108 108 LEU HB3 H 1 1.908 0.020 . 2 . . . . 108 LEU HB3 . 26992 1 1073 . 1 1 108 108 LEU HG H 1 1.695 0.020 . 1 . . . . 108 LEU HG . 26992 1 1074 . 1 1 108 108 LEU HD11 H 1 0.961 0.020 . 2 . . . . 108 LEU HD11 . 26992 1 1075 . 1 1 108 108 LEU HD12 H 1 0.961 0.020 . 2 . . . . 108 LEU HD12 . 26992 1 1076 . 1 1 108 108 LEU HD13 H 1 0.961 0.020 . 2 . . . . 108 LEU HD13 . 26992 1 1077 . 1 1 108 108 LEU HD21 H 1 1.001 0.020 . 2 . . . . 108 LEU HD21 . 26992 1 1078 . 1 1 108 108 LEU HD22 H 1 1.001 0.020 . 2 . . . . 108 LEU HD22 . 26992 1 1079 . 1 1 108 108 LEU HD23 H 1 1.001 0.020 . 2 . . . . 108 LEU HD23 . 26992 1 1080 . 1 1 108 108 LEU C C 13 175.261 0.400 . 1 . . . . 108 LEU C . 26992 1 1081 . 1 1 108 108 LEU CA C 13 54.026 0.400 . 1 . . . . 108 LEU CA . 26992 1 1082 . 1 1 108 108 LEU CB C 13 39.437 0.400 . 1 . . . . 108 LEU CB . 26992 1 1083 . 1 1 108 108 LEU CG C 13 24.566 0.400 . 1 . . . . 108 LEU CG . 26992 1 1084 . 1 1 108 108 LEU CD1 C 13 22.864 0.400 . 2 . . . . 108 LEU CD1 . 26992 1 1085 . 1 1 108 108 LEU CD2 C 13 22.662 0.400 . 2 . . . . 108 LEU CD2 . 26992 1 1086 . 1 1 108 108 LEU N N 15 120.336 0.400 . 1 . . . . 108 LEU N . 26992 1 1087 . 1 1 109 109 ALA H H 1 7.978 0.020 . 1 . . . . 109 ALA H . 26992 1 1088 . 1 1 109 109 ALA HA H 1 4.323 0.020 . 1 . . . . 109 ALA HA . 26992 1 1089 . 1 1 109 109 ALA HB1 H 1 1.581 0.020 . 1 . . . . 109 ALA HB1 . 26992 1 1090 . 1 1 109 109 ALA HB2 H 1 1.581 0.020 . 1 . . . . 109 ALA HB2 . 26992 1 1091 . 1 1 109 109 ALA HB3 H 1 1.581 0.020 . 1 . . . . 109 ALA HB3 . 26992 1 1092 . 1 1 109 109 ALA C C 13 175.766 0.400 . 1 . . . . 109 ALA C . 26992 1 1093 . 1 1 109 109 ALA CA C 13 51.176 0.400 . 1 . . . . 109 ALA CA . 26992 1 1094 . 1 1 109 109 ALA CB C 13 16.118 0.400 . 1 . . . . 109 ALA CB . 26992 1 1095 . 1 1 109 109 ALA N N 15 119.945 0.400 . 1 . . . . 109 ALA N . 26992 1 1096 . 1 1 110 110 ASN H H 1 7.990 0.020 . 1 . . . . 110 ASN H . 26992 1 1097 . 1 1 110 110 ASN HA H 1 4.882 0.020 . 1 . . . . 110 ASN HA . 26992 1 1098 . 1 1 110 110 ASN HB2 H 1 2.885 0.020 . 2 . . . . 110 ASN HB2 . 26992 1 1099 . 1 1 110 110 ASN HB3 H 1 3.034 0.020 . 2 . . . . 110 ASN HB3 . 26992 1 1100 . 1 1 110 110 ASN HD21 H 1 7.677 0.020 . 2 . . . . 110 ASN HD21 . 26992 1 1101 . 1 1 110 110 ASN HD22 H 1 7.051 0.020 . 2 . . . . 110 ASN HD22 . 26992 1 1102 . 1 1 110 110 ASN C C 13 173.070 0.400 . 1 . . . . 110 ASN C . 26992 1 1103 . 1 1 110 110 ASN CA C 13 51.344 0.400 . 1 . . . . 110 ASN CA . 26992 1 1104 . 1 1 110 110 ASN CB C 13 37.124 0.400 . 1 . . . . 110 ASN CB . 26992 1 1105 . 1 1 110 110 ASN N N 15 114.656 0.400 . 1 . . . . 110 ASN N . 26992 1 1106 . 1 1 110 110 ASN ND2 N 15 112.810 0.400 . 1 . . . . 110 ASN ND2 . 26992 1 1107 . 1 1 111 111 VAL H H 1 7.847 0.020 . 1 . . . . 111 VAL H . 26992 1 1108 . 1 1 111 111 VAL HA H 1 4.204 0.020 . 1 . . . . 111 VAL HA . 26992 1 1109 . 1 1 111 111 VAL HB H 1 2.377 0.020 . 1 . . . . 111 VAL HB . 26992 1 1110 . 1 1 111 111 VAL HG11 H 1 1.141 0.020 . 2 . . . . 111 VAL HG11 . 26992 1 1111 . 1 1 111 111 VAL HG12 H 1 1.141 0.020 . 2 . . . . 111 VAL HG12 . 26992 1 1112 . 1 1 111 111 VAL HG13 H 1 1.141 0.020 . 2 . . . . 111 VAL HG13 . 26992 1 1113 . 1 1 111 111 VAL HG21 H 1 1.092 0.020 . 2 . . . . 111 VAL HG21 . 26992 1 1114 . 1 1 111 111 VAL HG22 H 1 1.092 0.020 . 2 . . . . 111 VAL HG22 . 26992 1 1115 . 1 1 111 111 VAL HG23 H 1 1.092 0.020 . 2 . . . . 111 VAL HG23 . 26992 1 1116 . 1 1 111 111 VAL C C 13 173.532 0.400 . 1 . . . . 111 VAL C . 26992 1 1117 . 1 1 111 111 VAL CA C 13 60.675 0.400 . 1 . . . . 111 VAL CA . 26992 1 1118 . 1 1 111 111 VAL CB C 13 29.437 0.400 . 1 . . . . 111 VAL CB . 26992 1 1119 . 1 1 111 111 VAL CG1 C 13 18.879 0.400 . 2 . . . . 111 VAL CG1 . 26992 1 1120 . 1 1 111 111 VAL CG2 C 13 19.090 0.400 . 2 . . . . 111 VAL CG2 . 26992 1 1121 . 1 1 111 111 VAL N N 15 118.500 0.400 . 1 . . . . 111 VAL N . 26992 1 1122 . 1 1 112 112 GLN H H 1 8.413 0.020 . 1 . . . . 112 GLN H . 26992 1 1123 . 1 1 112 112 GLN HA H 1 4.325 0.020 . 1 . . . . 112 GLN HA . 26992 1 1124 . 1 1 112 112 GLN HB2 H 1 2.223 0.020 . 2 . . . . 112 GLN HB2 . 26992 1 1125 . 1 1 112 112 GLN HB3 H 1 2.256 0.020 . 2 . . . . 112 GLN HB3 . 26992 1 1126 . 1 1 112 112 GLN HG2 H 1 2.537 0.020 . 2 . . . . 112 GLN HG2 . 26992 1 1127 . 1 1 112 112 GLN HG3 H 1 2.537 0.020 . 2 . . . . 112 GLN HG3 . 26992 1 1128 . 1 1 112 112 GLN HE21 H 1 7.540 0.020 . 2 . . . . 112 GLN HE21 . 26992 1 1129 . 1 1 112 112 GLN HE22 H 1 6.878 0.020 . 2 . . . . 112 GLN HE22 . 26992 1 1130 . 1 1 112 112 GLN C C 13 174.499 0.400 . 1 . . . . 112 GLN C . 26992 1 1131 . 1 1 112 112 GLN CA C 13 54.903 0.400 . 1 . . . . 112 GLN CA . 26992 1 1132 . 1 1 112 112 GLN N N 15 122.365 0.400 . 1 . . . . 112 GLN N . 26992 1 1133 . 1 1 112 112 GLN NE2 N 15 111.568 0.400 . 1 . . . . 112 GLN NE2 . 26992 1 1134 . 1 1 113 113 GLY H H 1 8.458 0.020 . 1 . . . . 113 GLY H . 26992 1 1135 . 1 1 113 113 GLY HA2 H 1 4.055 0.020 . 2 . . . . 113 GLY HA2 . 26992 1 1136 . 1 1 113 113 GLY HA3 H 1 4.055 0.020 . 2 . . . . 113 GLY HA3 . 26992 1 1137 . 1 1 113 113 GLY C C 13 172.039 0.400 . 1 . . . . 113 GLY C . 26992 1 1138 . 1 1 113 113 GLY CA C 13 43.511 0.400 . 1 . . . . 113 GLY CA . 26992 1 1139 . 1 1 113 113 GLY N N 15 107.529 0.400 . 1 . . . . 113 GLY N . 26992 1 1140 . 1 1 114 114 LEU H H 1 7.985 0.020 . 1 . . . . 114 LEU H . 26992 1 1141 . 1 1 114 114 LEU HA H 1 4.358 0.020 . 1 . . . . 114 LEU HA . 26992 1 1142 . 1 1 114 114 LEU HB2 H 1 1.930 0.020 . 2 . . . . 114 LEU HB2 . 26992 1 1143 . 1 1 114 114 LEU HB3 H 1 1.886 0.020 . 2 . . . . 114 LEU HB3 . 26992 1 1144 . 1 1 114 114 LEU HG H 1 1.765 0.020 . 1 . . . . 114 LEU HG . 26992 1 1145 . 1 1 114 114 LEU HD11 H 1 0.998 0.020 . 2 . . . . 114 LEU HD11 . 26992 1 1146 . 1 1 114 114 LEU HD12 H 1 0.998 0.020 . 2 . . . . 114 LEU HD12 . 26992 1 1147 . 1 1 114 114 LEU HD13 H 1 0.998 0.020 . 2 . . . . 114 LEU HD13 . 26992 1 1148 . 1 1 114 114 LEU HD21 H 1 1.064 0.020 . 2 . . . . 114 LEU HD21 . 26992 1 1149 . 1 1 114 114 LEU HD22 H 1 1.064 0.020 . 2 . . . . 114 LEU HD22 . 26992 1 1150 . 1 1 114 114 LEU HD23 H 1 1.064 0.020 . 2 . . . . 114 LEU HD23 . 26992 1 1151 . 1 1 114 114 LEU C C 13 175.487 0.400 . 1 . . . . 114 LEU C . 26992 1 1152 . 1 1 114 114 LEU CA C 13 53.536 0.400 . 1 . . . . 114 LEU CA . 26992 1 1153 . 1 1 114 114 LEU CB C 13 39.129 0.400 . 1 . . . . 114 LEU CB . 26992 1 1154 . 1 1 114 114 LEU CG C 13 26.712 0.400 . 1 . . . . 114 LEU CG . 26992 1 1155 . 1 1 114 114 LEU CD1 C 13 21.408 0.400 . 2 . . . . 114 LEU CD1 . 26992 1 1156 . 1 1 114 114 LEU CD2 C 13 22.813 0.400 . 2 . . . . 114 LEU CD2 . 26992 1 1157 . 1 1 114 114 LEU N N 15 119.567 0.400 . 1 . . . . 114 LEU N . 26992 1 1158 . 1 1 115 115 SER H H 1 8.341 0.020 . 1 . . . . 115 SER H . 26992 1 1159 . 1 1 115 115 SER HA H 1 4.274 0.020 . 1 . . . . 115 SER HA . 26992 1 1160 . 1 1 115 115 SER HB2 H 1 4.105 0.020 . 2 . . . . 115 SER HB2 . 26992 1 1161 . 1 1 115 115 SER HB3 H 1 4.105 0.020 . 2 . . . . 115 SER HB3 . 26992 1 1162 . 1 1 115 115 SER C C 13 174.187 0.400 . 1 . . . . 115 SER C . 26992 1 1163 . 1 1 115 115 SER CA C 13 58.474 0.400 . 1 . . . . 115 SER CA . 26992 1 1164 . 1 1 115 115 SER CB C 13 60.210 0.400 . 1 . . . . 115 SER CB . 26992 1 1165 . 1 1 115 115 SER N N 15 116.037 0.400 . 1 . . . . 115 SER N . 26992 1 1166 . 1 1 116 116 VAL H H 1 7.904 0.020 . 1 . . . . 116 VAL H . 26992 1 1167 . 1 1 116 116 VAL HA H 1 4.088 0.020 . 1 . . . . 116 VAL HA . 26992 1 1168 . 1 1 116 116 VAL HB H 1 2.342 0.020 . 1 . . . . 116 VAL HB . 26992 1 1169 . 1 1 116 116 VAL HG11 H 1 1.146 0.020 . 2 . . . . 116 VAL HG11 . 26992 1 1170 . 1 1 116 116 VAL HG12 H 1 1.146 0.020 . 2 . . . . 116 VAL HG12 . 26992 1 1171 . 1 1 116 116 VAL HG13 H 1 1.146 0.020 . 2 . . . . 116 VAL HG13 . 26992 1 1172 . 1 1 116 116 VAL HG21 H 1 1.077 0.020 . 2 . . . . 116 VAL HG21 . 26992 1 1173 . 1 1 116 116 VAL HG22 H 1 1.077 0.020 . 2 . . . . 116 VAL HG22 . 26992 1 1174 . 1 1 116 116 VAL HG23 H 1 1.077 0.020 . 2 . . . . 116 VAL HG23 . 26992 1 1175 . 1 1 116 116 VAL C C 13 174.175 0.400 . 1 . . . . 116 VAL C . 26992 1 1176 . 1 1 116 116 VAL CA C 13 61.861 0.400 . 1 . . . . 116 VAL CA . 26992 1 1177 . 1 1 116 116 VAL CB C 13 28.999 0.400 . 1 . . . . 116 VAL CB . 26992 1 1178 . 1 1 116 116 VAL CG1 C 13 18.985 0.400 . 2 . . . . 116 VAL CG1 . 26992 1 1179 . 1 1 116 116 VAL CG2 C 13 18.739 0.400 . 2 . . . . 116 VAL CG2 . 26992 1 1180 . 1 1 116 116 VAL N N 15 120.037 0.400 . 1 . . . . 116 VAL N . 26992 1 1181 . 1 1 117 117 LEU H H 1 7.772 0.020 . 1 . . . . 117 LEU H . 26992 1 1182 . 1 1 117 117 LEU HA H 1 4.214 0.020 . 1 . . . . 117 LEU HA . 26992 1 1183 . 1 1 117 117 LEU HB2 H 1 1.958 0.020 . 2 . . . . 117 LEU HB2 . 26992 1 1184 . 1 1 117 117 LEU HB3 H 1 1.879 0.020 . 2 . . . . 117 LEU HB3 . 26992 1 1185 . 1 1 117 117 LEU HG H 1 1.759 0.020 . 1 . . . . 117 LEU HG . 26992 1 1186 . 1 1 117 117 LEU HD11 H 1 0.967 0.020 . 2 . . . . 117 LEU HD11 . 26992 1 1187 . 1 1 117 117 LEU HD12 H 1 0.967 0.020 . 2 . . . . 117 LEU HD12 . 26992 1 1188 . 1 1 117 117 LEU HD13 H 1 0.967 0.020 . 2 . . . . 117 LEU HD13 . 26992 1 1189 . 1 1 117 117 LEU HD21 H 1 1.068 0.020 . 2 . . . . 117 LEU HD21 . 26992 1 1190 . 1 1 117 117 LEU HD22 H 1 1.068 0.020 . 2 . . . . 117 LEU HD22 . 26992 1 1191 . 1 1 117 117 LEU HD23 H 1 1.068 0.020 . 2 . . . . 117 LEU HD23 . 26992 1 1192 . 1 1 117 117 LEU C C 13 175.132 0.400 . 1 . . . . 117 LEU C . 26992 1 1193 . 1 1 117 117 LEU CA C 13 54.155 0.400 . 1 . . . . 117 LEU CA . 26992 1 1194 . 1 1 117 117 LEU CB C 13 39.003 0.400 . 1 . . . . 117 LEU CB . 26992 1 1195 . 1 1 117 117 LEU CG C 13 26.606 0.400 . 1 . . . . 117 LEU CG . 26992 1 1196 . 1 1 117 117 LEU CD1 C 13 22.673 0.400 . 2 . . . . 117 LEU CD1 . 26992 1 1197 . 1 1 117 117 LEU CD2 C 13 23.094 0.400 . 2 . . . . 117 LEU CD2 . 26992 1 1198 . 1 1 117 117 LEU N N 15 118.998 0.400 . 1 . . . . 117 LEU N . 26992 1 1199 . 1 1 118 118 ARG H H 1 7.813 0.020 . 1 . . . . 118 ARG H . 26992 1 1200 . 1 1 118 118 ARG HA H 1 4.288 0.020 . 1 . . . . 118 ARG HA . 26992 1 1201 . 1 1 118 118 ARG HB2 H 1 2.092 0.020 . 2 . . . . 118 ARG HB2 . 26992 1 1202 . 1 1 118 118 ARG HB3 H 1 2.092 0.020 . 2 . . . . 118 ARG HB3 . 26992 1 1203 . 1 1 118 118 ARG HG2 H 1 2.000 0.020 . 2 . . . . 118 ARG HG2 . 26992 1 1204 . 1 1 118 118 ARG HG3 H 1 2.000 0.020 . 2 . . . . 118 ARG HG3 . 26992 1 1205 . 1 1 118 118 ARG HD2 H 1 3.347 0.020 . 2 . . . . 118 ARG HD2 . 26992 1 1206 . 1 1 118 118 ARG HD3 H 1 3.347 0.020 . 2 . . . . 118 ARG HD3 . 26992 1 1207 . 1 1 118 118 ARG C C 13 174.692 0.400 . 1 . . . . 118 ARG C . 26992 1 1208 . 1 1 118 118 ARG CA C 13 55.211 0.400 . 1 . . . . 118 ARG CA . 26992 1 1209 . 1 1 118 118 ARG CB C 13 27.619 0.400 . 1 . . . . 118 ARG CB . 26992 1 1210 . 1 1 118 118 ARG CD C 13 41.006 0.400 . 1 . . . . 118 ARG CD . 26992 1 1211 . 1 1 118 118 ARG N N 15 115.880 0.400 . 1 . . . . 118 ARG N . 26992 1 1212 . 1 1 119 119 SER H H 1 7.901 0.020 . 1 . . . . 119 SER H . 26992 1 1213 . 1 1 119 119 SER HA H 1 4.500 0.020 . 1 . . . . 119 SER HA . 26992 1 1214 . 1 1 119 119 SER HB2 H 1 4.043 0.020 . 2 . . . . 119 SER HB2 . 26992 1 1215 . 1 1 119 119 SER HB3 H 1 4.004 0.020 . 2 . . . . 119 SER HB3 . 26992 1 1216 . 1 1 119 119 SER C C 13 172.061 0.400 . 1 . . . . 119 SER C . 26992 1 1217 . 1 1 119 119 SER CA C 13 57.067 0.400 . 1 . . . . 119 SER CA . 26992 1 1218 . 1 1 119 119 SER CB C 13 61.135 0.400 . 1 . . . . 119 SER CB . 26992 1 1219 . 1 1 119 119 SER N N 15 113.880 0.400 . 1 . . . . 119 SER N . 26992 1 1220 . 1 1 120 120 PHE H H 1 7.958 0.020 . 1 . . . . 120 PHE H . 26992 1 1221 . 1 1 120 120 PHE HA H 1 4.635 0.020 . 1 . . . . 120 PHE HA . 26992 1 1222 . 1 1 120 120 PHE HB2 H 1 3.307 0.020 . 2 . . . . 120 PHE HB2 . 26992 1 1223 . 1 1 120 120 PHE HB3 H 1 3.307 0.020 . 2 . . . . 120 PHE HB3 . 26992 1 1224 . 1 1 120 120 PHE C C 13 173.618 0.400 . 1 . . . . 120 PHE C . 26992 1 1225 . 1 1 120 120 PHE CA C 13 55.933 0.400 . 1 . . . . 120 PHE CA . 26992 1 1226 . 1 1 120 120 PHE CB C 13 36.252 0.400 . 1 . . . . 120 PHE CB . 26992 1 1227 . 1 1 120 120 PHE N N 15 121.553 0.400 . 1 . . . . 120 PHE N . 26992 1 1228 . 1 1 121 121 ARG H H 1 8.171 0.020 . 1 . . . . 121 ARG H . 26992 1 1229 . 1 1 121 121 ARG HA H 1 4.300 0.020 . 1 . . . . 121 ARG HA . 26992 1 1230 . 1 1 121 121 ARG HB2 H 1 1.978 0.020 . 2 . . . . 121 ARG HB2 . 26992 1 1231 . 1 1 121 121 ARG HB3 H 1 1.978 0.020 . 2 . . . . 121 ARG HB3 . 26992 1 1232 . 1 1 121 121 ARG HG2 H 1 1.782 0.020 . 2 . . . . 121 ARG HG2 . 26992 1 1233 . 1 1 121 121 ARG HG3 H 1 1.782 0.020 . 2 . . . . 121 ARG HG3 . 26992 1 1234 . 1 1 121 121 ARG HD2 H 1 3.348 0.020 . 2 . . . . 121 ARG HD2 . 26992 1 1235 . 1 1 121 121 ARG HD3 H 1 3.348 0.020 . 2 . . . . 121 ARG HD3 . 26992 1 1236 . 1 1 121 121 ARG C C 13 174.680 0.400 . 1 . . . . 121 ARG C . 26992 1 1237 . 1 1 121 121 ARG CA C 13 54.799 0.400 . 1 . . . . 121 ARG CA . 26992 1 1238 . 1 1 121 121 ARG CB C 13 27.186 0.400 . 1 . . . . 121 ARG CB . 26992 1 1239 . 1 1 121 121 ARG CG C 13 24.745 0.400 . 1 . . . . 121 ARG CG . 26992 1 1240 . 1 1 121 121 ARG CD C 13 41.076 0.400 . 1 . . . . 121 ARG CD . 26992 1 1241 . 1 1 121 121 ARG N N 15 120.906 0.400 . 1 . . . . 121 ARG N . 26992 1 1242 . 1 1 122 122 LEU H H 1 7.967 0.020 . 1 . . . . 122 LEU H . 26992 1 1243 . 1 1 122 122 LEU C C 13 175.082 0.400 . 1 . . . . 122 LEU C . 26992 1 1244 . 1 1 122 122 LEU CA C 13 54.464 0.400 . 1 . . . . 122 LEU CA . 26992 1 1245 . 1 1 122 122 LEU N N 15 119.602 0.400 . 1 . . . . 122 LEU N . 26992 1 1246 . 1 1 123 123 LEU H H 1 8.037 0.020 . 1 . . . . 123 LEU H . 26992 1 1247 . 1 1 123 123 LEU HA H 1 4.244 0.020 . 1 . . . . 123 LEU HA . 26992 1 1248 . 1 1 123 123 LEU HB2 H 1 1.938 0.020 . 2 . . . . 123 LEU HB2 . 26992 1 1249 . 1 1 123 123 LEU HB3 H 1 1.938 0.020 . 2 . . . . 123 LEU HB3 . 26992 1 1250 . 1 1 123 123 LEU HG H 1 1.799 0.020 . 1 . . . . 123 LEU HG . 26992 1 1251 . 1 1 123 123 LEU HD11 H 1 1.029 0.020 . 2 . . . . 123 LEU HD1 . 26992 1 1252 . 1 1 123 123 LEU HD12 H 1 1.029 0.020 . 2 . . . . 123 LEU HD1 . 26992 1 1253 . 1 1 123 123 LEU HD13 H 1 1.029 0.020 . 2 . . . . 123 LEU HD1 . 26992 1 1254 . 1 1 123 123 LEU HD21 H 1 1.029 0.020 . 2 . . . . 123 LEU HD2 . 26992 1 1255 . 1 1 123 123 LEU HD22 H 1 1.029 0.020 . 2 . . . . 123 LEU HD2 . 26992 1 1256 . 1 1 123 123 LEU HD23 H 1 1.029 0.020 . 2 . . . . 123 LEU HD2 . 26992 1 1257 . 1 1 123 123 LEU C C 13 175.841 0.400 . 1 . . . . 123 LEU C . 26992 1 1258 . 1 1 123 123 LEU CA C 13 54.644 0.400 . 1 . . . . 123 LEU CA . 26992 1 1259 . 1 1 123 123 LEU CB C 13 39.361 0.400 . 1 . . . . 123 LEU CB . 26992 1 1260 . 1 1 123 123 LEU CG C 13 26.716 0.400 . 1 . . . . 123 LEU CG . 26992 1 1261 . 1 1 123 123 LEU CD1 C 13 22.723 0.400 . 2 . . . . 123 LEU CD1 . 26992 1 1262 . 1 1 123 123 LEU N N 15 116.677 0.400 . 1 . . . . 123 LEU N . 26992 1 1263 . 1 1 124 124 ARG H H 1 7.908 0.020 . 1 . . . . 124 ARG H . 26992 1 1264 . 1 1 124 124 ARG HA H 1 4.244 0.020 . 1 . . . . 124 ARG HA . 26992 1 1265 . 1 1 124 124 ARG HB2 H 1 2.046 0.020 . 2 . . . . 124 ARG HB2 . 26992 1 1266 . 1 1 124 124 ARG HB3 H 1 2.046 0.020 . 2 . . . . 124 ARG HB3 . 26992 1 1267 . 1 1 124 124 ARG HG2 H 1 1.825 0.020 . 2 . . . . 124 ARG HG2 . 26992 1 1268 . 1 1 124 124 ARG HG3 H 1 1.825 0.020 . 2 . . . . 124 ARG HG3 . 26992 1 1269 . 1 1 124 124 ARG HD2 H 1 3.347 0.020 . 2 . . . . 124 ARG HD2 . 26992 1 1270 . 1 1 124 124 ARG HD3 H 1 3.347 0.020 . 2 . . . . 124 ARG HD3 . 26992 1 1271 . 1 1 124 124 ARG C C 13 175.433 0.400 . 1 . . . . 124 ARG C . 26992 1 1272 . 1 1 124 124 ARG CA C 13 55.856 0.400 . 1 . . . . 124 ARG CA . 26992 1 1273 . 1 1 124 124 ARG CB C 13 27.373 0.400 . 1 . . . . 124 ARG CB . 26992 1 1274 . 1 1 124 124 ARG CG C 13 24.895 0.400 . 1 . . . . 124 ARG CG . 26992 1 1275 . 1 1 124 124 ARG CD C 13 41.007 0.400 . 1 . . . . 124 ARG CD . 26992 1 1276 . 1 1 124 124 ARG N N 15 117.717 0.400 . 1 . . . . 124 ARG N . 26992 1 1277 . 1 1 125 125 VAL H H 1 7.713 0.020 . 1 . . . . 125 VAL H . 26992 1 1278 . 1 1 125 125 VAL HA H 1 3.912 0.020 . 1 . . . . 125 VAL HA . 26992 1 1279 . 1 1 125 125 VAL HB H 1 2.261 0.020 . 1 . . . . 125 VAL HB . 26992 1 1280 . 1 1 125 125 VAL HG11 H 1 0.939 0.020 . 2 . . . . 125 VAL HG11 . 26992 1 1281 . 1 1 125 125 VAL HG12 H 1 0.939 0.020 . 2 . . . . 125 VAL HG12 . 26992 1 1282 . 1 1 125 125 VAL HG13 H 1 0.939 0.020 . 2 . . . . 125 VAL HG13 . 26992 1 1283 . 1 1 125 125 VAL C C 13 173.854 0.400 . 1 . . . . 125 VAL C . 26992 1 1284 . 1 1 125 125 VAL CA C 13 62.402 0.400 . 1 . . . . 125 VAL CA . 26992 1 1285 . 1 1 125 125 VAL CB C 13 28.936 0.400 . 1 . . . . 125 VAL CB . 26992 1 1286 . 1 1 125 125 VAL CG1 C 13 18.765 0.400 . 2 . . . . 125 VAL CG1 . 26992 1 1287 . 1 1 125 125 VAL N N 15 116.613 0.400 . 1 . . . . 125 VAL N . 26992 1 1288 . 1 1 126 126 PHE H H 1 7.810 0.020 . 1 . . . . 126 PHE H . 26992 1 1289 . 1 1 126 126 PHE HA H 1 4.434 0.020 . 1 . . . . 126 PHE HA . 26992 1 1290 . 1 1 126 126 PHE HB2 H 1 3.360 0.020 . 2 . . . . 126 PHE HB2 . 26992 1 1291 . 1 1 126 126 PHE HB3 H 1 3.231 0.020 . 2 . . . . 126 PHE HB3 . 26992 1 1292 . 1 1 126 126 PHE C C 13 173.854 0.400 . 1 . . . . 126 PHE C . 26992 1 1293 . 1 1 126 126 PHE CA C 13 57.402 0.400 . 1 . . . . 126 PHE CA . 26992 1 1294 . 1 1 126 126 PHE CB C 13 36.278 0.400 . 1 . . . . 126 PHE CB . 26992 1 1295 . 1 1 126 126 PHE N N 15 118.510 0.400 . 1 . . . . 126 PHE N . 26992 1 1296 . 1 1 127 127 LYS H H 1 7.911 0.020 . 1 . . . . 127 LYS H . 26992 1 1297 . 1 1 127 127 LYS HA H 1 4.247 0.020 . 1 . . . . 127 LYS HA . 26992 1 1298 . 1 1 127 127 LYS HB2 H 1 2.035 0.020 . 2 . . . . 127 LYS HB2 . 26992 1 1299 . 1 1 127 127 LYS HB3 H 1 2.035 0.020 . 2 . . . . 127 LYS HB3 . 26992 1 1300 . 1 1 127 127 LYS HG2 H 1 1.683 0.020 . 2 . . . . 127 LYS HG2 . 26992 1 1301 . 1 1 127 127 LYS HG3 H 1 1.683 0.020 . 2 . . . . 127 LYS HG3 . 26992 1 1302 . 1 1 127 127 LYS C C 13 175.675 0.400 . 1 . . . . 127 LYS C . 26992 1 1303 . 1 1 127 127 LYS CA C 13 55.804 0.400 . 1 . . . . 127 LYS CA . 26992 1 1304 . 1 1 127 127 LYS CB C 13 29.692 0.400 . 1 . . . . 127 LYS CB . 26992 1 1305 . 1 1 127 127 LYS CG C 13 22.688 0.400 . 1 . . . . 127 LYS CG . 26992 1 1306 . 1 1 127 127 LYS N N 15 118.114 0.400 . 1 . . . . 127 LYS N . 26992 1 1307 . 1 1 128 128 LEU H H 1 7.883 0.020 . 1 . . . . 128 LEU H . 26992 1 1308 . 1 1 128 128 LEU HA H 1 4.159 0.020 . 1 . . . . 128 LEU HA . 26992 1 1309 . 1 1 128 128 LEU HB2 H 1 1.912 0.020 . 2 . . . . 128 LEU HB2 . 26992 1 1310 . 1 1 128 128 LEU HB3 H 1 1.890 0.020 . 2 . . . . 128 LEU HB3 . 26992 1 1311 . 1 1 128 128 LEU HG H 1 1.678 0.020 . 1 . . . . 128 LEU HG . 26992 1 1312 . 1 1 128 128 LEU HD11 H 1 1.030 0.020 . 2 . . . . 128 LEU HD1 . 26992 1 1313 . 1 1 128 128 LEU HD12 H 1 1.030 0.020 . 2 . . . . 128 LEU HD1 . 26992 1 1314 . 1 1 128 128 LEU HD13 H 1 1.030 0.020 . 2 . . . . 128 LEU HD1 . 26992 1 1315 . 1 1 128 128 LEU HD21 H 1 1.030 0.020 . 2 . . . . 128 LEU HD2 . 26992 1 1316 . 1 1 128 128 LEU HD22 H 1 1.030 0.020 . 2 . . . . 128 LEU HD2 . 26992 1 1317 . 1 1 128 128 LEU HD23 H 1 1.030 0.020 . 2 . . . . 128 LEU HD2 . 26992 1 1318 . 1 1 128 128 LEU C C 13 175.651 0.400 . 1 . . . . 128 LEU C . 26992 1 1319 . 1 1 128 128 LEU CA C 13 54.283 0.400 . 1 . . . . 128 LEU CA . 26992 1 1320 . 1 1 128 128 LEU CB C 13 39.571 0.400 . 1 . . . . 128 LEU CB . 26992 1 1321 . 1 1 128 128 LEU CG C 13 24.742 0.400 . 1 . . . . 128 LEU CG . 26992 1 1322 . 1 1 128 128 LEU CD1 C 13 22.571 0.400 . 2 . . . . 128 LEU CD1 . 26992 1 1323 . 1 1 128 128 LEU N N 15 119.795 0.400 . 1 . . . . 128 LEU N . 26992 1 1324 . 1 1 129 129 ALA H H 1 8.026 0.020 . 1 . . . . 129 ALA H . 26992 1 1325 . 1 1 129 129 ALA HA H 1 4.009 0.020 . 1 . . . . 129 ALA HA . 26992 1 1326 . 1 1 129 129 ALA HB1 H 1 1.479 0.020 . 1 . . . . 129 ALA HB1 . 26992 1 1327 . 1 1 129 129 ALA HB2 H 1 1.479 0.020 . 1 . . . . 129 ALA HB2 . 26992 1 1328 . 1 1 129 129 ALA HB3 H 1 1.479 0.020 . 1 . . . . 129 ALA HB3 . 26992 1 1329 . 1 1 129 129 ALA C C 13 175.197 0.400 . 1 . . . . 129 ALA C . 26992 1 1330 . 1 1 129 129 ALA CA C 13 51.629 0.400 . 1 . . . . 129 ALA CA . 26992 1 1331 . 1 1 129 129 ALA CB C 13 15.993 0.400 . 1 . . . . 129 ALA CB . 26992 1 1332 . 1 1 129 129 ALA N N 15 120.557 0.400 . 1 . . . . 129 ALA N . 26992 1 1333 . 1 1 130 130 LYS H H 1 7.738 0.020 . 1 . . . . 130 LYS H . 26992 1 1334 . 1 1 130 130 LYS HA H 1 4.236 0.020 . 1 . . . . 130 LYS HA . 26992 1 1335 . 1 1 130 130 LYS C C 13 174.166 0.400 . 1 . . . . 130 LYS C . 26992 1 1336 . 1 1 130 130 LYS CA C 13 54.954 0.400 . 1 . . . . 130 LYS CA . 26992 1 1337 . 1 1 130 130 LYS CB C 13 29.808 0.400 . 1 . . . . 130 LYS CB . 26992 1 1338 . 1 1 130 130 LYS N N 15 114.250 0.400 . 1 . . . . 130 LYS N . 26992 1 1339 . 1 1 131 131 SER H H 1 7.808 0.020 . 1 . . . . 131 SER H . 26992 1 1340 . 1 1 131 131 SER HA H 1 4.614 0.020 . 1 . . . . 131 SER HA . 26992 1 1341 . 1 1 131 131 SER HB2 H 1 4.052 0.020 . 2 . . . . 131 SER HB2 . 26992 1 1342 . 1 1 131 131 SER HB3 H 1 4.052 0.020 . 2 . . . . 131 SER HB3 . 26992 1 1343 . 1 1 131 131 SER C C 13 171.395 0.400 . 1 . . . . 131 SER C . 26992 1 1344 . 1 1 131 131 SER CA C 13 56.036 0.400 . 1 . . . . 131 SER CA . 26992 1 1345 . 1 1 131 131 SER CB C 13 61.514 0.400 . 1 . . . . 131 SER CB . 26992 1 1346 . 1 1 131 131 SER N N 15 113.199 0.400 . 1 . . . . 131 SER N . 26992 1 1347 . 1 1 132 132 TRP H H 1 8.073 0.020 . 1 . . . . 132 TRP H . 26992 1 1348 . 1 1 132 132 TRP HA H 1 5.186 0.020 . 1 . . . . 132 TRP HA . 26992 1 1349 . 1 1 132 132 TRP HB2 H 1 3.631 0.020 . 2 . . . . 132 TRP HB2 . 26992 1 1350 . 1 1 132 132 TRP HB3 H 1 3.415 0.020 . 2 . . . . 132 TRP HB3 . 26992 1 1351 . 1 1 132 132 TRP HD1 H 1 7.480 0.020 . 1 . . . . 132 TRP HD1 . 26992 1 1352 . 1 1 132 132 TRP HE1 H 1 10.283 0.020 . 1 . . . . 132 TRP HE1 . 26992 1 1353 . 1 1 132 132 TRP CA C 13 53.098 0.400 . 1 . . . . 132 TRP CA . 26992 1 1354 . 1 1 132 132 TRP N N 15 124.429 0.400 . 1 . . . . 132 TRP N . 26992 1 1355 . 1 1 132 132 TRP NE1 N 15 128.998 0.400 . 1 . . . . 132 TRP NE1 . 26992 1 1356 . 1 1 133 133 PRO HA H 1 4.492 0.020 . 1 . . . . 133 PRO HA . 26992 1 1357 . 1 1 133 133 PRO HB2 H 1 2.460 0.020 . 2 . . . . 133 PRO HB2 . 26992 1 1358 . 1 1 133 133 PRO HB3 H 1 2.460 0.020 . 2 . . . . 133 PRO HB3 . 26992 1 1359 . 1 1 133 133 PRO HG2 H 1 2.118 0.020 . 2 . . . . 133 PRO HG2 . 26992 1 1360 . 1 1 133 133 PRO HG3 H 1 2.248 0.020 . 2 . . . . 133 PRO HG3 . 26992 1 1361 . 1 1 133 133 PRO HD2 H 1 4.330 0.020 . 2 . . . . 133 PRO HD2 . 26992 1 1362 . 1 1 133 133 PRO HD3 H 1 3.957 0.020 . 2 . . . . 133 PRO HD3 . 26992 1 1363 . 1 1 133 133 PRO C C 13 175.448 0.400 . 1 . . . . 133 PRO C . 26992 1 1364 . 1 1 133 133 PRO CA C 13 62.798 0.400 . 1 . . . . 133 PRO CA . 26992 1 1365 . 1 1 133 133 PRO CB C 13 29.012 0.400 . 1 . . . . 133 PRO CB . 26992 1 1366 . 1 1 133 133 PRO CG C 13 25.349 0.400 . 1 . . . . 133 PRO CG . 26992 1 1367 . 1 1 133 133 PRO CD C 13 48.331 0.400 . 1 . . . . 133 PRO CD . 26992 1 1368 . 1 1 134 134 THR H H 1 7.392 0.020 . 1 . . . . 134 THR H . 26992 1 1369 . 1 1 134 134 THR HA H 1 4.042 0.020 . 1 . . . . 134 THR HA . 26992 1 1370 . 1 1 134 134 THR HB H 1 3.473 0.020 . 1 . . . . 134 THR HB . 26992 1 1371 . 1 1 134 134 THR HG21 H 1 1.217 0.020 . 1 . . . . 134 THR HG21 . 26992 1 1372 . 1 1 134 134 THR HG22 H 1 1.217 0.020 . 1 . . . . 134 THR HG22 . 26992 1 1373 . 1 1 134 134 THR HG23 H 1 1.217 0.020 . 1 . . . . 134 THR HG23 . 26992 1 1374 . 1 1 134 134 THR C C 13 172.813 0.400 . 1 . . . . 134 THR C . 26992 1 1375 . 1 1 134 134 THR CA C 13 62.632 0.400 . 1 . . . . 134 THR CA . 26992 1 1376 . 1 1 134 134 THR CB C 13 66.189 0.400 . 1 . . . . 134 THR CB . 26992 1 1377 . 1 1 134 134 THR CG2 C 13 19.685 0.400 . 1 . . . . 134 THR CG2 . 26992 1 1378 . 1 1 134 134 THR N N 15 112.444 0.400 . 1 . . . . 134 THR N . 26992 1 1379 . 1 1 135 135 LEU H H 1 7.547 0.020 . 1 . . . . 135 LEU H . 26992 1 1380 . 1 1 135 135 LEU HA H 1 4.093 0.020 . 1 . . . . 135 LEU HA . 26992 1 1381 . 1 1 135 135 LEU HD11 H 1 1.070 0.020 . 2 . . . . 135 LEU HD11 . 26992 1 1382 . 1 1 135 135 LEU HD12 H 1 1.070 0.020 . 2 . . . . 135 LEU HD12 . 26992 1 1383 . 1 1 135 135 LEU HD13 H 1 1.070 0.020 . 2 . . . . 135 LEU HD13 . 26992 1 1384 . 1 1 135 135 LEU HD21 H 1 1.099 0.020 . 2 . . . . 135 LEU HD21 . 26992 1 1385 . 1 1 135 135 LEU HD22 H 1 1.099 0.020 . 2 . . . . 135 LEU HD22 . 26992 1 1386 . 1 1 135 135 LEU HD23 H 1 1.099 0.020 . 2 . . . . 135 LEU HD23 . 26992 1 1387 . 1 1 135 135 LEU C C 13 175.508 0.400 . 1 . . . . 135 LEU C . 26992 1 1388 . 1 1 135 135 LEU CA C 13 55.345 0.400 . 1 . . . . 135 LEU CA . 26992 1 1389 . 1 1 135 135 LEU CB C 13 38.937 0.400 . 1 . . . . 135 LEU CB . 26992 1 1390 . 1 1 135 135 LEU CD1 C 13 22.291 0.400 . 2 . . . . 135 LEU CD1 . 26992 1 1391 . 1 1 135 135 LEU CD2 C 13 21.960 0.400 . 2 . . . . 135 LEU CD2 . 26992 1 1392 . 1 1 135 135 LEU N N 15 120.718 0.400 . 1 . . . . 135 LEU N . 26992 1 1393 . 1 1 136 136 ASN H H 1 8.151 0.020 . 1 . . . . 136 ASN H . 26992 1 1394 . 1 1 136 136 ASN HA H 1 4.387 0.020 . 1 . . . . 136 ASN HA . 26992 1 1395 . 1 1 136 136 ASN HB2 H 1 2.794 0.020 . 2 . . . . 136 ASN HB2 . 26992 1 1396 . 1 1 136 136 ASN HB3 H 1 2.794 0.020 . 2 . . . . 136 ASN HB3 . 26992 1 1397 . 1 1 136 136 ASN HD21 H 1 7.485 0.020 . 2 . . . . 136 ASN HD21 . 26992 1 1398 . 1 1 136 136 ASN HD22 H 1 6.915 0.020 . 2 . . . . 136 ASN HD22 . 26992 1 1399 . 1 1 136 136 ASN C C 13 174.778 0.400 . 1 . . . . 136 ASN C . 26992 1 1400 . 1 1 136 136 ASN CA C 13 54.180 0.400 . 1 . . . . 136 ASN CA . 26992 1 1401 . 1 1 136 136 ASN CB C 13 36.248 0.400 . 1 . . . . 136 ASN CB . 26992 1 1402 . 1 1 136 136 ASN N N 15 116.300 0.400 . 1 . . . . 136 ASN N . 26992 1 1403 . 1 1 136 136 ASN ND2 N 15 111.473 0.400 . 1 . . . . 136 ASN ND2 . 26992 1 1404 . 1 1 137 137 MET H H 1 7.935 0.020 . 1 . . . . 137 MET H . 26992 1 1405 . 1 1 137 137 MET HA H 1 4.255 0.020 . 1 . . . . 137 MET HA . 26992 1 1406 . 1 1 137 137 MET HB2 H 1 2.305 0.020 . 2 . . . . 137 MET HB2 . 26992 1 1407 . 1 1 137 137 MET HB3 H 1 2.305 0.020 . 2 . . . . 137 MET HB3 . 26992 1 1408 . 1 1 137 137 MET HG2 H 1 2.657 0.020 . 2 . . . . 137 MET HG2 . 26992 1 1409 . 1 1 137 137 MET HG3 H 1 2.657 0.020 . 2 . . . . 137 MET HG3 . 26992 1 1410 . 1 1 137 137 MET C C 13 175.272 0.400 . 1 . . . . 137 MET C . 26992 1 1411 . 1 1 137 137 MET CA C 13 55.830 0.400 . 1 . . . . 137 MET CA . 26992 1 1412 . 1 1 137 137 MET CB C 13 29.558 0.400 . 1 . . . . 137 MET CB . 26992 1 1413 . 1 1 137 137 MET CG C 13 29.553 0.400 . 1 . . . . 137 MET CG . 26992 1 1414 . 1 1 137 137 MET N N 15 118.229 0.400 . 1 . . . . 137 MET N . 26992 1 1415 . 1 1 138 138 LEU H H 1 7.874 0.020 . 1 . . . . 138 LEU H . 26992 1 1416 . 1 1 138 138 LEU HA H 1 4.148 0.020 . 1 . . . . 138 LEU HA . 26992 1 1417 . 1 1 138 138 LEU HB2 H 1 1.961 0.020 . 2 . . . . 138 LEU HB2 . 26992 1 1418 . 1 1 138 138 LEU HB3 H 1 1.961 0.020 . 2 . . . . 138 LEU HB3 . 26992 1 1419 . 1 1 138 138 LEU HG H 1 1.779 0.020 . 1 . . . . 138 LEU HG . 26992 1 1420 . 1 1 138 138 LEU HD11 H 1 0.985 0.020 . 2 . . . . 138 LEU HD11 . 26992 1 1421 . 1 1 138 138 LEU HD12 H 1 0.985 0.020 . 2 . . . . 138 LEU HD12 . 26992 1 1422 . 1 1 138 138 LEU HD13 H 1 0.985 0.020 . 2 . . . . 138 LEU HD13 . 26992 1 1423 . 1 1 138 138 LEU HD21 H 1 1.066 0.020 . 2 . . . . 138 LEU HD21 . 26992 1 1424 . 1 1 138 138 LEU HD22 H 1 1.066 0.020 . 2 . . . . 138 LEU HD22 . 26992 1 1425 . 1 1 138 138 LEU HD23 H 1 1.066 0.020 . 2 . . . . 138 LEU HD23 . 26992 1 1426 . 1 1 138 138 LEU C C 13 175.798 0.400 . 1 . . . . 138 LEU C . 26992 1 1427 . 1 1 138 138 LEU CA C 13 55.546 0.400 . 1 . . . . 138 LEU CA . 26992 1 1428 . 1 1 138 138 LEU CB C 13 39.250 0.400 . 1 . . . . 138 LEU CB . 26992 1 1429 . 1 1 138 138 LEU CG C 13 26.716 0.400 . 1 . . . . 138 LEU CG . 26992 1 1430 . 1 1 138 138 LEU CD1 C 13 21.462 0.400 . 2 . . . . 138 LEU CD1 . 26992 1 1431 . 1 1 138 138 LEU CD2 C 13 22.548 0.400 . 2 . . . . 138 LEU CD2 . 26992 1 1432 . 1 1 138 138 LEU N N 15 119.197 0.400 . 1 . . . . 138 LEU N . 26992 1 1433 . 1 1 139 139 ILE H H 1 8.234 0.020 . 1 . . . . 139 ILE H . 26992 1 1434 . 1 1 139 139 ILE HA H 1 3.720 0.020 . 1 . . . . 139 ILE HA . 26992 1 1435 . 1 1 139 139 ILE HB H 1 2.123 0.020 . 1 . . . . 139 ILE HB . 26992 1 1436 . 1 1 139 139 ILE HG12 H 1 1.842 0.020 . 2 . . . . 139 ILE HG12 . 26992 1 1437 . 1 1 139 139 ILE HG13 H 1 1.842 0.020 . 2 . . . . 139 ILE HG13 . 26992 1 1438 . 1 1 139 139 ILE HG21 H 1 1.039 0.020 . 1 . . . . 139 ILE HG21 . 26992 1 1439 . 1 1 139 139 ILE HG22 H 1 1.039 0.020 . 1 . . . . 139 ILE HG22 . 26992 1 1440 . 1 1 139 139 ILE HG23 H 1 1.039 0.020 . 1 . . . . 139 ILE HG23 . 26992 1 1441 . 1 1 139 139 ILE HD11 H 1 0.985 0.020 . 1 . . . . 139 ILE HD11 . 26992 1 1442 . 1 1 139 139 ILE HD12 H 1 0.985 0.020 . 1 . . . . 139 ILE HD12 . 26992 1 1443 . 1 1 139 139 ILE HD13 H 1 0.985 0.020 . 1 . . . . 139 ILE HD13 . 26992 1 1444 . 1 1 139 139 ILE C C 13 175.605 0.400 . 1 . . . . 139 ILE C . 26992 1 1445 . 1 1 139 139 ILE CA C 13 62.556 0.400 . 1 . . . . 139 ILE CA . 26992 1 1446 . 1 1 139 139 ILE CB C 13 35.002 0.400 . 1 . . . . 139 ILE CB . 26992 1 1447 . 1 1 139 139 ILE CG1 C 13 24.895 0.400 . 1 . . . . 139 ILE CG1 . 26992 1 1448 . 1 1 139 139 ILE CG2 C 13 15.088 0.400 . 1 . . . . 139 ILE CG2 . 26992 1 1449 . 1 1 139 139 ILE CD1 C 13 10.434 0.400 . 1 . . . . 139 ILE CD1 . 26992 1 1450 . 1 1 139 139 ILE N N 15 117.809 0.400 . 1 . . . . 139 ILE N . 26992 1 1451 . 1 1 140 140 LYS H H 1 7.824 0.020 . 1 . . . . 140 LYS H . 26992 1 1452 . 1 1 140 140 LYS HA H 1 4.149 0.020 . 1 . . . . 140 LYS HA . 26992 1 1453 . 1 1 140 140 LYS HB2 H 1 2.097 0.020 . 2 . . . . 140 LYS HB2 . 26992 1 1454 . 1 1 140 140 LYS HB3 H 1 2.097 0.020 . 2 . . . . 140 LYS HB3 . 26992 1 1455 . 1 1 140 140 LYS HG2 H 1 1.572 0.020 . 2 . . . . 140 LYS HG2 . 26992 1 1456 . 1 1 140 140 LYS HG3 H 1 1.572 0.020 . 2 . . . . 140 LYS HG3 . 26992 1 1457 . 1 1 140 140 LYS HD2 H 1 1.709 0.020 . 2 . . . . 140 LYS HD2 . 26992 1 1458 . 1 1 140 140 LYS HD3 H 1 1.709 0.020 . 2 . . . . 140 LYS HD3 . 26992 1 1459 . 1 1 140 140 LYS C C 13 176.496 0.400 . 1 . . . . 140 LYS C . 26992 1 1460 . 1 1 140 140 LYS CA C 13 56.912 0.400 . 1 . . . . 140 LYS CA . 26992 1 1461 . 1 1 140 140 LYS CB C 13 29.437 0.400 . 1 . . . . 140 LYS CB . 26992 1 1462 . 1 1 140 140 LYS N N 15 120.044 0.400 . 1 . . . . 140 LYS N . 26992 1 1463 . 1 1 141 141 ILE H H 1 8.083 0.020 . 1 . . . . 141 ILE H . 26992 1 1464 . 1 1 141 141 ILE HA H 1 3.976 0.020 . 1 . . . . 141 ILE HA . 26992 1 1465 . 1 1 141 141 ILE HB H 1 2.118 0.020 . 1 . . . . 141 ILE HB . 26992 1 1466 . 1 1 141 141 ILE HG12 H 1 1.924 0.020 . 2 . . . . 141 ILE HG12 . 26992 1 1467 . 1 1 141 141 ILE HG13 H 1 1.924 0.020 . 2 . . . . 141 ILE HG13 . 26992 1 1468 . 1 1 141 141 ILE HG21 H 1 1.040 0.020 . 1 . . . . 141 ILE HG21 . 26992 1 1469 . 1 1 141 141 ILE HG22 H 1 1.040 0.020 . 1 . . . . 141 ILE HG22 . 26992 1 1470 . 1 1 141 141 ILE HG23 H 1 1.040 0.020 . 1 . . . . 141 ILE HG23 . 26992 1 1471 . 1 1 141 141 ILE HD11 H 1 0.968 0.020 . 1 . . . . 141 ILE HD11 . 26992 1 1472 . 1 1 141 141 ILE HD12 H 1 0.968 0.020 . 1 . . . . 141 ILE HD12 . 26992 1 1473 . 1 1 141 141 ILE HD13 H 1 0.968 0.020 . 1 . . . . 141 ILE HD13 . 26992 1 1474 . 1 1 141 141 ILE C C 13 176.121 0.400 . 1 . . . . 141 ILE C . 26992 1 1475 . 1 1 141 141 ILE CA C 13 62.247 0.400 . 1 . . . . 141 ILE CA . 26992 1 1476 . 1 1 141 141 ILE CB C 13 35.564 0.400 . 1 . . . . 141 ILE CB . 26992 1 1477 . 1 1 141 141 ILE CG1 C 13 24.534 0.400 . 1 . . . . 141 ILE CG1 . 26992 1 1478 . 1 1 141 141 ILE CD1 C 13 11.06 0.400 . 1 . . . . 141 ILE CD1 . 26992 1 1479 . 1 1 141 141 ILE N N 15 118.820 0.400 . 1 . . . . 141 ILE N . 26992 1 1480 . 1 1 142 142 ILE H H 1 8.291 0.020 . 1 . . . . 142 ILE H . 26992 1 1481 . 1 1 142 142 ILE HA H 1 3.873 0.020 . 1 . . . . 142 ILE HA . 26992 1 1482 . 1 1 142 142 ILE HB H 1 2.075 0.020 . 1 . . . . 142 ILE HB . 26992 1 1483 . 1 1 142 142 ILE HG12 H 1 1.881 0.020 . 2 . . . . 142 ILE HG12 . 26992 1 1484 . 1 1 142 142 ILE HG13 H 1 1.881 0.020 . 2 . . . . 142 ILE HG13 . 26992 1 1485 . 1 1 142 142 ILE HG21 H 1 0.953 0.020 . 1 . . . . 142 ILE HG21 . 26992 1 1486 . 1 1 142 142 ILE HG22 H 1 0.953 0.020 . 1 . . . . 142 ILE HG22 . 26992 1 1487 . 1 1 142 142 ILE HG23 H 1 0.953 0.020 . 1 . . . . 142 ILE HG23 . 26992 1 1488 . 1 1 142 142 ILE HD11 H 1 1.025 0.020 . 1 . . . . 142 ILE HD11 . 26992 1 1489 . 1 1 142 142 ILE HD12 H 1 1.025 0.020 . 1 . . . . 142 ILE HD12 . 26992 1 1490 . 1 1 142 142 ILE HD13 H 1 1.025 0.020 . 1 . . . . 142 ILE HD13 . 26992 1 1491 . 1 1 142 142 ILE C C 13 175.852 0.400 . 1 . . . . 142 ILE C . 26992 1 1492 . 1 1 142 142 ILE CA C 13 62.170 0.400 . 1 . . . . 142 ILE CA . 26992 1 1493 . 1 1 142 142 ILE CB C 13 35.189 0.400 . 1 . . . . 142 ILE CB . 26992 1 1494 . 1 1 142 142 ILE CG1 C 13 24.604 0.400 . 1 . . . . 142 ILE CG1 . 26992 1 1495 . 1 1 142 142 ILE CG2 C 13 20.741 0.400 . 1 . . . . 142 ILE CG2 . 26992 1 1496 . 1 1 142 142 ILE CD1 C 13 15.25 0.400 . 1 . . . . 142 ILE CD1 . 26992 1 1497 . 1 1 142 142 ILE N N 15 119.382 0.400 . 1 . . . . 142 ILE N . 26992 1 1498 . 1 1 143 143 GLY H H 1 8.543 0.020 . 1 . . . . 143 GLY H . 26992 1 1499 . 1 1 143 143 GLY HA2 H 1 4.052 0.020 . 2 . . . . 143 GLY HA2 . 26992 1 1500 . 1 1 143 143 GLY HA3 H 1 4.052 0.020 . 2 . . . . 143 GLY HA3 . 26992 1 1501 . 1 1 143 143 GLY C C 13 172.394 0.400 . 1 . . . . 143 GLY C . 26992 1 1502 . 1 1 143 143 GLY CA C 13 44.155 0.400 . 1 . . . . 143 GLY CA . 26992 1 1503 . 1 1 143 143 GLY N N 15 107.283 0.400 . 1 . . . . 143 GLY N . 26992 1 1504 . 1 1 144 144 ASN H H 1 8.071 0.020 . 1 . . . . 144 ASN H . 26992 1 1505 . 1 1 144 144 ASN HA H 1 4.884 0.020 . 1 . . . . 144 ASN HA . 26992 1 1506 . 1 1 144 144 ASN HB2 H 1 2.993 0.020 . 2 . . . . 144 ASN HB2 . 26992 1 1507 . 1 1 144 144 ASN HB3 H 1 2.993 0.020 . 2 . . . . 144 ASN HB3 . 26992 1 1508 . 1 1 144 144 ASN HD21 H 1 7.769 0.020 . 2 . . . . 144 ASN HD21 . 26992 1 1509 . 1 1 144 144 ASN HD22 H 1 7.000 0.020 . 2 . . . . 144 ASN HD22 . 26992 1 1510 . 1 1 144 144 ASN C C 13 173.962 0.400 . 1 . . . . 144 ASN C . 26992 1 1511 . 1 1 144 144 ASN CA C 13 51.500 0.400 . 1 . . . . 144 ASN CA . 26992 1 1512 . 1 1 144 144 ASN CB C 13 36.565 0.400 . 1 . . . . 144 ASN CB . 26992 1 1513 . 1 1 144 144 ASN N N 15 118.443 0.400 . 1 . . . . 144 ASN N . 26992 1 1514 . 1 1 144 144 ASN ND2 N 15 112.469 0.400 . 1 . . . . 144 ASN ND2 . 26992 1 1515 . 1 1 145 145 SER H H 1 8.146 0.020 . 1 . . . . 145 SER H . 26992 1 1516 . 1 1 145 145 SER HA H 1 4.452 0.020 . 1 . . . . 145 SER HA . 26992 1 1517 . 1 1 145 145 SER HB2 H 1 4.081 0.020 . 2 . . . . 145 SER HB2 . 26992 1 1518 . 1 1 145 145 SER HB3 H 1 4.081 0.020 . 2 . . . . 145 SER HB3 . 26992 1 1519 . 1 1 145 145 SER C C 13 173.006 0.400 . 1 . . . . 145 SER C . 26992 1 1520 . 1 1 145 145 SER CA C 13 58.098 0.400 . 1 . . . . 145 SER CA . 26992 1 1521 . 1 1 145 145 SER CB C 13 61.260 0.400 . 1 . . . . 145 SER CB . 26992 1 1522 . 1 1 145 145 SER N N 15 115.909 0.400 . 1 . . . . 145 SER N . 26992 1 1523 . 1 1 146 146 GLY H H 1 8.478 0.020 . 1 . . . . 146 GLY H . 26992 1 1524 . 1 1 146 146 GLY HA2 H 1 4.052 0.020 . 2 . . . . 146 GLY HA2 . 26992 1 1525 . 1 1 146 146 GLY HA3 H 1 4.052 0.020 . 2 . . . . 146 GLY HA3 . 26992 1 1526 . 1 1 146 146 GLY C C 13 171.953 0.400 . 1 . . . . 146 GLY C . 26992 1 1527 . 1 1 146 146 GLY CA C 13 43.536 0.400 . 1 . . . . 146 GLY CA . 26992 1 1528 . 1 1 146 146 GLY N N 15 109.260 0.400 . 1 . . . . 146 GLY N . 26992 1 1529 . 1 1 147 147 SER H H 1 8.078 0.020 . 1 . . . . 147 SER H . 26992 1 1530 . 1 1 147 147 SER HA H 1 4.441 0.020 . 1 . . . . 147 SER HA . 26992 1 1531 . 1 1 147 147 SER HB2 H 1 3.955 0.020 . 2 . . . . 147 SER HB2 . 26992 1 1532 . 1 1 147 147 SER HB3 H 1 3.955 0.020 . 2 . . . . 147 SER HB3 . 26992 1 1533 . 1 1 147 147 SER C C 13 172.329 0.400 . 1 . . . . 147 SER C . 26992 1 1534 . 1 1 147 147 SER CA C 13 56.629 0.400 . 1 . . . . 147 SER CA . 26992 1 1535 . 1 1 147 147 SER CB C 13 61.072 0.400 . 1 . . . . 147 SER CB . 26992 1 1536 . 1 1 147 147 SER N N 15 114.720 0.400 . 1 . . . . 147 SER N . 26992 1 1537 . 1 1 148 148 HIS H H 1 8.259 0.020 . 1 . . . . 148 HIS H . 26992 1 1538 . 1 1 148 148 HIS CB C 13 26.181 0.400 . 1 . . . . 148 HIS CB . 26992 1 1539 . 1 1 148 148 HIS N N 15 118.777 0.400 . 1 . . . . 148 HIS N . 26992 1 stop_ save_