data_30962 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30962 _Entry.Title ; NMR structure of cTnC-TnI chimera bound to calcium and A1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-11-17 _Entry.Accession_date 2021-11-17 _Entry.Last_release_date 2021-12-09 _Entry.Original_release_date 2021-12-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 L. Poppe L. . . . 30962 2 J. Hartman J. J. . . 30962 3 A. Romero A. . . . 30962 4 J. Reagan J. D. . . 30962 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Calcium sensitizer' . 30962 'METAL BINDING PROTEIN' . 30962 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30962 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 556 30962 '15N chemical shifts' 139 30962 '1H chemical shifts' 921 30962 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 2 . . 2022-06-27 2021-11-17 update BMRB 'update entry citation' 30962 1 . . 2022-03-30 2021-11-17 original author 'original release' 30962 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7SUP 'BMRB Entry Tracking System' 30962 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30962 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35349258 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural and Thermodynamic Model for the Activation of Cardiac Troponin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 61 _Citation.Journal_issue 8 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 741 _Citation.Page_last 748 _Citation.Year 2022 _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 L. Poppe L. . . . 30962 1 2 J. Hartman J. J. . . 30962 1 3 A. Romero A. . . . 30962 1 4 J. Reagan J. D. . . 30962 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30962 _Assembly.ID 1 _Assembly.Name 'Troponin C, slow skeletal and cardiac muscles,Troponin I, cardiac muscle' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 30962 1 2 unit_2 2 $entity_BQ6 B A no . . . . . . 30962 1 3 unit_3 3 $entity_CA C A no . . . . . . 30962 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 . 1 ASP 65 65 OD1 . 3 . 3 CA 1 1 CA . . . . . . . . . . . . 30962 1 2 coordination single . 1 . 1 ASP 65 65 OD2 . 3 . 3 CA 1 1 CA . . . . . . . . . . . . 30962 1 3 coordination single . 1 . 1 ASP 67 67 OD1 . 3 . 3 CA 1 1 CA . . . . . . . . . . . . 30962 1 4 coordination single . 1 . 1 SER 69 69 OG . 3 . 3 CA 1 1 CA . . . . . . . . . . . . 30962 1 5 coordination single . 1 . 1 THR 71 71 O . 3 . 3 CA 1 1 CA . . . . . . . . . . . . 30962 1 6 coordination single . 1 . 1 GLU 76 76 OE1 . 3 . 3 CA 1 1 CA . . . . . . . . . . . . 30962 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30962 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GDDIYKAAVEQLTEEQKNEF KAAFDIFVLGAEDGCISTKE LGKVMRMLGQNPTPEELQEM IDEVDEDGSGTVDFDEFLVM MVRCMKDDSKGAGAGVRISA DAMMQALLGARAKESLDLRA HLKQVKKED ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 129 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14222.121 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Cardiac troponin I' common 30962 1 TN-C common 30962 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 30962 1 2 . ASP . 30962 1 3 . ASP . 30962 1 4 . ILE . 30962 1 5 . TYR . 30962 1 6 . LYS . 30962 1 7 . ALA . 30962 1 8 . ALA . 30962 1 9 . VAL . 30962 1 10 . GLU . 30962 1 11 . GLN . 30962 1 12 . LEU . 30962 1 13 . THR . 30962 1 14 . GLU . 30962 1 15 . GLU . 30962 1 16 . GLN . 30962 1 17 . LYS . 30962 1 18 . ASN . 30962 1 19 . GLU . 30962 1 20 . PHE . 30962 1 21 . LYS . 30962 1 22 . ALA . 30962 1 23 . ALA . 30962 1 24 . PHE . 30962 1 25 . ASP . 30962 1 26 . ILE . 30962 1 27 . PHE . 30962 1 28 . VAL . 30962 1 29 . LEU . 30962 1 30 . GLY . 30962 1 31 . ALA . 30962 1 32 . GLU . 30962 1 33 . ASP . 30962 1 34 . GLY . 30962 1 35 . CYS . 30962 1 36 . ILE . 30962 1 37 . SER . 30962 1 38 . THR . 30962 1 39 . LYS . 30962 1 40 . GLU . 30962 1 41 . LEU . 30962 1 42 . GLY . 30962 1 43 . LYS . 30962 1 44 . VAL . 30962 1 45 . MET . 30962 1 46 . ARG . 30962 1 47 . MET . 30962 1 48 . LEU . 30962 1 49 . GLY . 30962 1 50 . GLN . 30962 1 51 . ASN . 30962 1 52 . PRO . 30962 1 53 . THR . 30962 1 54 . PRO . 30962 1 55 . GLU . 30962 1 56 . GLU . 30962 1 57 . LEU . 30962 1 58 . GLN . 30962 1 59 . GLU . 30962 1 60 . MET . 30962 1 61 . ILE . 30962 1 62 . ASP . 30962 1 63 . GLU . 30962 1 64 . VAL . 30962 1 65 . ASP . 30962 1 66 . GLU . 30962 1 67 . ASP . 30962 1 68 . GLY . 30962 1 69 . SER . 30962 1 70 . GLY . 30962 1 71 . THR . 30962 1 72 . VAL . 30962 1 73 . ASP . 30962 1 74 . PHE . 30962 1 75 . ASP . 30962 1 76 . GLU . 30962 1 77 . PHE . 30962 1 78 . LEU . 30962 1 79 . VAL . 30962 1 80 . MET . 30962 1 81 . MET . 30962 1 82 . VAL . 30962 1 83 . ARG . 30962 1 84 . CYS . 30962 1 85 . MET . 30962 1 86 . LYS . 30962 1 87 . ASP . 30962 1 88 . ASP . 30962 1 89 . SER . 30962 1 90 . LYS . 30962 1 91 . GLY . 30962 1 92 . ALA . 30962 1 93 . GLY . 30962 1 94 . ALA . 30962 1 95 . GLY . 30962 1 96 . VAL . 30962 1 97 . ARG . 30962 1 98 . ILE . 30962 1 99 . SER . 30962 1 100 . ALA . 30962 1 101 . ASP . 30962 1 102 . ALA . 30962 1 103 . MET . 30962 1 104 . MET . 30962 1 105 . GLN . 30962 1 106 . ALA . 30962 1 107 . LEU . 30962 1 108 . LEU . 30962 1 109 . GLY . 30962 1 110 . ALA . 30962 1 111 . ARG . 30962 1 112 . ALA . 30962 1 113 . LYS . 30962 1 114 . GLU . 30962 1 115 . SER . 30962 1 116 . LEU . 30962 1 117 . ASP . 30962 1 118 . LEU . 30962 1 119 . ARG . 30962 1 120 . ALA . 30962 1 121 . HIS . 30962 1 122 . LEU . 30962 1 123 . LYS . 30962 1 124 . GLN . 30962 1 125 . VAL . 30962 1 126 . LYS . 30962 1 127 . LYS . 30962 1 128 . GLU . 30962 1 129 . ASP . 30962 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 30962 1 . ASP 2 2 30962 1 . ASP 3 3 30962 1 . ILE 4 4 30962 1 . TYR 5 5 30962 1 . LYS 6 6 30962 1 . ALA 7 7 30962 1 . ALA 8 8 30962 1 . VAL 9 9 30962 1 . GLU 10 10 30962 1 . GLN 11 11 30962 1 . LEU 12 12 30962 1 . THR 13 13 30962 1 . GLU 14 14 30962 1 . GLU 15 15 30962 1 . GLN 16 16 30962 1 . LYS 17 17 30962 1 . ASN 18 18 30962 1 . GLU 19 19 30962 1 . PHE 20 20 30962 1 . LYS 21 21 30962 1 . ALA 22 22 30962 1 . ALA 23 23 30962 1 . PHE 24 24 30962 1 . ASP 25 25 30962 1 . ILE 26 26 30962 1 . PHE 27 27 30962 1 . VAL 28 28 30962 1 . LEU 29 29 30962 1 . GLY 30 30 30962 1 . ALA 31 31 30962 1 . GLU 32 32 30962 1 . ASP 33 33 30962 1 . GLY 34 34 30962 1 . CYS 35 35 30962 1 . ILE 36 36 30962 1 . SER 37 37 30962 1 . THR 38 38 30962 1 . LYS 39 39 30962 1 . GLU 40 40 30962 1 . LEU 41 41 30962 1 . GLY 42 42 30962 1 . LYS 43 43 30962 1 . VAL 44 44 30962 1 . MET 45 45 30962 1 . ARG 46 46 30962 1 . MET 47 47 30962 1 . LEU 48 48 30962 1 . GLY 49 49 30962 1 . GLN 50 50 30962 1 . ASN 51 51 30962 1 . PRO 52 52 30962 1 . THR 53 53 30962 1 . PRO 54 54 30962 1 . GLU 55 55 30962 1 . GLU 56 56 30962 1 . LEU 57 57 30962 1 . GLN 58 58 30962 1 . GLU 59 59 30962 1 . MET 60 60 30962 1 . ILE 61 61 30962 1 . ASP 62 62 30962 1 . GLU 63 63 30962 1 . VAL 64 64 30962 1 . ASP 65 65 30962 1 . GLU 66 66 30962 1 . ASP 67 67 30962 1 . GLY 68 68 30962 1 . SER 69 69 30962 1 . GLY 70 70 30962 1 . THR 71 71 30962 1 . VAL 72 72 30962 1 . ASP 73 73 30962 1 . PHE 74 74 30962 1 . ASP 75 75 30962 1 . GLU 76 76 30962 1 . PHE 77 77 30962 1 . LEU 78 78 30962 1 . VAL 79 79 30962 1 . MET 80 80 30962 1 . MET 81 81 30962 1 . VAL 82 82 30962 1 . ARG 83 83 30962 1 . CYS 84 84 30962 1 . MET 85 85 30962 1 . LYS 86 86 30962 1 . ASP 87 87 30962 1 . ASP 88 88 30962 1 . SER 89 89 30962 1 . LYS 90 90 30962 1 . GLY 91 91 30962 1 . ALA 92 92 30962 1 . GLY 93 93 30962 1 . ALA 94 94 30962 1 . GLY 95 95 30962 1 . VAL 96 96 30962 1 . ARG 97 97 30962 1 . ILE 98 98 30962 1 . SER 99 99 30962 1 . ALA 100 100 30962 1 . ASP 101 101 30962 1 . ALA 102 102 30962 1 . MET 103 103 30962 1 . MET 104 104 30962 1 . GLN 105 105 30962 1 . ALA 106 106 30962 1 . LEU 107 107 30962 1 . LEU 108 108 30962 1 . GLY 109 109 30962 1 . ALA 110 110 30962 1 . ARG 111 111 30962 1 . ALA 112 112 30962 1 . LYS 113 113 30962 1 . GLU 114 114 30962 1 . SER 115 115 30962 1 . LEU 116 116 30962 1 . ASP 117 117 30962 1 . LEU 118 118 30962 1 . ARG 119 119 30962 1 . ALA 120 120 30962 1 . HIS 121 121 30962 1 . LEU 122 122 30962 1 . LYS 123 123 30962 1 . GLN 124 124 30962 1 . VAL 125 125 30962 1 . LYS 126 126 30962 1 . LYS 127 127 30962 1 . GLU 128 128 30962 1 . ASP 129 129 30962 1 stop_ save_ save_entity_BQ6 _Entity.Sf_category entity _Entity.Sf_framecode entity_BQ6 _Entity.Entry_ID 30962 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_BQ6 _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method syn _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 446.495 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 201 BQ6 . 30962 2 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 30962 _Entity.ID 3 _Entity.BMRB_code CA _Entity.Name entity_CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CALCIUM ION' BMRB 30962 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 30962 3 CA 'Three letter code' 30962 3 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 1 CA $chem_comp_CA 30962 3 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 30962 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'TNNC1, TNNC, TNNI3' . 30962 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 30962 _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 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . BL21(DE3) . . . . . . . . . 30962 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_BQ6 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_BQ6 _Chem_comp.Entry_ID 30962 _Chem_comp.ID BQ6 _Chem_comp.Provenance . _Chem_comp.Name ; 4-(3-cyano-3-methylazetidine-1-carbonyl)-N-[(3S)-7-fluoro-6-methyl-3,4-dihydro-2H-1-benzopyran-3-yl]-5-methyl-1H-pyrrole-2-sulfonamide ; _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code BQ6 _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge . _Chem_comp.Paramagnetic . _Chem_comp.Aromatic . _Chem_comp.Formula 'C21 H23 F N4 O4 S' _Chem_comp.Formula_weight 446.495 _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 . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . save_ save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 30962 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _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 BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 30962 CA InChI=1S/Ca/q+2 InChI InChI 1.03 30962 CA [Ca++] SMILES CACTVS 3.341 30962 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 30962 CA [Ca+2] SMILES ACDLabs 10.04 30962 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 30962 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 30962 CA 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 calcium 'SYSTEMATIC NAME' ACDLabs 10.04 30962 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 30962 CA 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 CA CA CA CA . CA . . N 2 . . . 0 N N . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 30962 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30962 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-13C; U-15N] cTnC-cTnI chimera, 95% H2O/5% D2O' _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 'cTnC-cTnI chimera' '[U-13C; U-15N]' . . 1 $entity_1 . . 1 . . mM . . . . 30962 1 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 30962 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 0.05 . mM 30962 1 pH 7.2 . pH 30962 1 pressure 1 . atm 30962 1 temperature 293 . K 30962 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30962 _Software.ID 1 _Software.Type . _Software.Name AutoAssign _Software.Version 2.3.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 30962 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30962 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30962 _Software.ID 2 _Software.Type . _Software.Name TopSpin _Software.Version 3.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30962 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 30962 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30962 _Software.ID 3 _Software.Type . _Software.Name XEASY _Software.Version 1.5.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 30962 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 30962 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30962 _Software.ID 4 _Software.Type . _Software.Name CYANA _Software.Version 3.98.13 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30962 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30962 4 'structure calculation' . 30962 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30962 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _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 30962 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 NMR_spectrometer_1 Bruker 'AVANCE III' . 800 . . . 30962 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 30962 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30962 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30962 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30962 1 4 'X-filtered NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30962 1 5 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30962 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30962 1 7 '3D CBCANH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30962 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30962 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30962 1 10 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30962 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30962 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30962 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 DSS 'methyl protons' . . . . ppm 0 external indirect 0.2514 . . . . . 30962 1 H 1 DSS 'methyl protons' . . . . ppm 0 external indirect 1 . . . . . 30962 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.1013 . . . . . 30962 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30962 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 30962 1 2 '3D 1H-13C NOESY aliphatic' . . . 30962 1 3 '2D 1H-13C HSQC' . . . 30962 1 4 'X-filtered NOESY' . . . 30962 1 5 '3D 1H-13C NOESY aromatic' . . . 30962 1 6 '3D CBCA(CO)NH' . . . 30962 1 7 '3D CBCANH' . . . 30962 1 8 '3D HBHA(CO)NH' . . . 30962 1 9 '3D HCCH-TOCSY' . . . 30962 1 10 '3D HNCO' . . . 30962 1 11 '2D 1H-15N HSQC' . . . 30962 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 GLY HA2 H 1 3.845 0.000 . . . . . . A 1 GLY HA2 . 30962 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.822 0.000 . . . . . . A 1 GLY HA3 . 30962 1 3 . 1 . 1 1 1 GLY CA C 13 43.350 0.000 . . . . . . A 1 GLY CA . 30962 1 4 . 1 . 1 2 2 ASP H H 1 8.700 0.000 . . . . . . A 2 ASP H . 30962 1 5 . 1 . 1 2 2 ASP HA H 1 4.658 0.000 . . . . . . A 2 ASP HA . 30962 1 6 . 1 . 1 2 2 ASP HB2 H 1 2.722 0.000 . . . . . . A 2 ASP HB2 . 30962 1 7 . 1 . 1 2 2 ASP HB3 H 1 2.582 0.000 . . . . . . A 2 ASP HB3 . 30962 1 8 . 1 . 1 2 2 ASP C C 13 176.057 0.000 . . . . . . A 2 ASP C . 30962 1 9 . 1 . 1 2 2 ASP CA C 13 54.483 0.000 . . . . . . A 2 ASP CA . 30962 1 10 . 1 . 1 2 2 ASP CB C 13 41.314 0.000 . . . . . . A 2 ASP CB . 30962 1 11 . 1 . 1 2 2 ASP N N 15 120.700 0.000 . . . . . . A 2 ASP N . 30962 1 12 . 1 . 1 3 3 ASP H H 1 8.460 0.000 . . . . . . A 3 ASP H . 30962 1 13 . 1 . 1 3 3 ASP HA H 1 4.532 0.000 . . . . . . A 3 ASP HA . 30962 1 14 . 1 . 1 3 3 ASP HB2 H 1 2.581 0.000 . . . . . . A 3 ASP HB2 . 30962 1 15 . 1 . 1 3 3 ASP HB3 H 1 2.725 0.000 . . . . . . A 3 ASP HB3 . 30962 1 16 . 1 . 1 3 3 ASP C C 13 177.626 0.000 . . . . . . A 3 ASP C . 30962 1 17 . 1 . 1 3 3 ASP CA C 13 55.076 0.000 . . . . . . A 3 ASP CA . 30962 1 18 . 1 . 1 3 3 ASP CB C 13 41.227 0.000 . . . . . . A 3 ASP CB . 30962 1 19 . 1 . 1 3 3 ASP N N 15 121.759 0.000 . . . . . . A 3 ASP N . 30962 1 20 . 1 . 1 4 4 ILE H H 1 8.137 0.000 . . . . . . A 4 ILE H . 30962 1 21 . 1 . 1 4 4 ILE HA H 1 3.884 0.000 . . . . . . A 4 ILE HA . 30962 1 22 . 1 . 1 4 4 ILE HB H 1 1.652 0.000 . . . . . . A 4 ILE HB . 30962 1 23 . 1 . 1 4 4 ILE HG12 H 1 0.849 0.000 . . . . . . A 4 ILE HG12 . 30962 1 24 . 1 . 1 4 4 ILE HG13 H 1 0.918 0.000 . . . . . . A 4 ILE HG13 . 30962 1 25 . 1 . 1 4 4 ILE HG21 H 1 0.587 0.000 . . . . . . A 4 ILE HG21 . 30962 1 26 . 1 . 1 4 4 ILE HG22 H 1 0.587 0.000 . . . . . . A 4 ILE HG22 . 30962 1 27 . 1 . 1 4 4 ILE HG23 H 1 0.587 0.000 . . . . . . A 4 ILE HG23 . 30962 1 28 . 1 . 1 4 4 ILE HD11 H 1 0.668 0.000 . . . . . . A 4 ILE HD11 . 30962 1 29 . 1 . 1 4 4 ILE HD12 H 1 0.668 0.000 . . . . . . A 4 ILE HD12 . 30962 1 30 . 1 . 1 4 4 ILE HD13 H 1 0.668 0.000 . . . . . . A 4 ILE HD13 . 30962 1 31 . 1 . 1 4 4 ILE C C 13 177.519 0.000 . . . . . . A 4 ILE C . 30962 1 32 . 1 . 1 4 4 ILE CA C 13 63.477 0.000 . . . . . . A 4 ILE CA . 30962 1 33 . 1 . 1 4 4 ILE CB C 13 37.743 0.000 . . . . . . A 4 ILE CB . 30962 1 34 . 1 . 1 4 4 ILE CG1 C 13 26.657 0.000 . . . . . . A 4 ILE CG1 . 30962 1 35 . 1 . 1 4 4 ILE CG2 C 13 17.102 0.000 . . . . . . A 4 ILE CG2 . 30962 1 36 . 1 . 1 4 4 ILE CD1 C 13 13.279 0.000 . . . . . . A 4 ILE CD1 . 30962 1 37 . 1 . 1 4 4 ILE N N 15 120.260 0.000 . . . . . . A 4 ILE N . 30962 1 38 . 1 . 1 5 5 TYR H H 1 7.837 0.000 . . . . . . A 5 TYR H . 30962 1 39 . 1 . 1 5 5 TYR HA H 1 4.327 0.000 . . . . . . A 5 TYR HA . 30962 1 40 . 1 . 1 5 5 TYR HB2 H 1 2.953 0.000 . . . . . . A 5 TYR HB2 . 30962 1 41 . 1 . 1 5 5 TYR HB3 H 1 3.042 0.000 . . . . . . A 5 TYR HB3 . 30962 1 42 . 1 . 1 5 5 TYR HD1 H 1 7.027 0.000 . . . . . . A 5 TYR HD1 . 30962 1 43 . 1 . 1 5 5 TYR HD2 H 1 7.027 0.000 . . . . . . A 5 TYR HD2 . 30962 1 44 . 1 . 1 5 5 TYR HE1 H 1 6.770 0.000 . . . . . . A 5 TYR HE1 . 30962 1 45 . 1 . 1 5 5 TYR HE2 H 1 6.770 0.000 . . . . . . A 5 TYR HE2 . 30962 1 46 . 1 . 1 5 5 TYR C C 13 177.108 0.000 . . . . . . A 5 TYR C . 30962 1 47 . 1 . 1 5 5 TYR CA C 13 60.539 0.000 . . . . . . A 5 TYR CA . 30962 1 48 . 1 . 1 5 5 TYR CB C 13 37.321 0.000 . . . . . . A 5 TYR CB . 30962 1 49 . 1 . 1 5 5 TYR CD1 C 13 132.370 0.000 . . . . . . A 5 TYR CD1 . 30962 1 50 . 1 . 1 5 5 TYR CD2 C 13 132.370 0.000 . . . . . . A 5 TYR CD2 . 30962 1 51 . 1 . 1 5 5 TYR CE1 C 13 118.600 0.000 . . . . . . A 5 TYR CE1 . 30962 1 52 . 1 . 1 5 5 TYR CE2 C 13 118.600 0.000 . . . . . . A 5 TYR CE2 . 30962 1 53 . 1 . 1 5 5 TYR N N 15 121.885 0.000 . . . . . . A 5 TYR N . 30962 1 54 . 1 . 1 6 6 LYS H H 1 8.021 0.000 . . . . . . A 6 LYS H . 30962 1 55 . 1 . 1 6 6 LYS HA H 1 3.946 0.000 . . . . . . A 6 LYS HA . 30962 1 56 . 1 . 1 6 6 LYS HB2 H 1 1.853 0.000 . . . . . . A 6 LYS HB2 . 30962 1 57 . 1 . 1 6 6 LYS HB3 H 1 1.817 0.000 . . . . . . A 6 LYS HB3 . 30962 1 58 . 1 . 1 6 6 LYS HG2 H 1 1.374 0.000 . . . . . . A 6 LYS HG2 . 30962 1 59 . 1 . 1 6 6 LYS HG3 H 1 1.510 0.000 . . . . . . A 6 LYS HG3 . 30962 1 60 . 1 . 1 6 6 LYS HD2 H 1 1.635 0.000 . . . . . . A 6 LYS HD2 . 30962 1 61 . 1 . 1 6 6 LYS HD3 H 1 1.729 0.000 . . . . . . A 6 LYS HD3 . 30962 1 62 . 1 . 1 6 6 LYS HE2 H 1 2.930 0.000 . . . . . . A 6 LYS HE2 . 30962 1 63 . 1 . 1 6 6 LYS HE3 H 1 2.930 0.000 . . . . . . A 6 LYS HE3 . 30962 1 64 . 1 . 1 6 6 LYS C C 13 178.997 0.000 . . . . . . A 6 LYS C . 30962 1 65 . 1 . 1 6 6 LYS CA C 13 59.371 0.000 . . . . . . A 6 LYS CA . 30962 1 66 . 1 . 1 6 6 LYS CB C 13 32.068 0.000 . . . . . . A 6 LYS CB . 30962 1 67 . 1 . 1 6 6 LYS CG C 13 25.448 0.000 . . . . . . A 6 LYS CG . 30962 1 68 . 1 . 1 6 6 LYS CD C 13 29.121 0.000 . . . . . . A 6 LYS CD . 30962 1 69 . 1 . 1 6 6 LYS CE C 13 41.809 0.000 . . . . . . A 6 LYS CE . 30962 1 70 . 1 . 1 6 6 LYS N N 15 121.243 0.000 . . . . . . A 6 LYS N . 30962 1 71 . 1 . 1 7 7 ALA H H 1 7.846 0.000 . . . . . . A 7 ALA H . 30962 1 72 . 1 . 1 7 7 ALA HA H 1 4.134 0.000 . . . . . . A 7 ALA HA . 30962 1 73 . 1 . 1 7 7 ALA HB1 H 1 1.380 0.000 . . . . . . A 7 ALA HB1 . 30962 1 74 . 1 . 1 7 7 ALA HB2 H 1 1.380 0.000 . . . . . . A 7 ALA HB2 . 30962 1 75 . 1 . 1 7 7 ALA HB3 H 1 1.380 0.000 . . . . . . A 7 ALA HB3 . 30962 1 76 . 1 . 1 7 7 ALA C C 13 179.667 0.000 . . . . . . A 7 ALA C . 30962 1 77 . 1 . 1 7 7 ALA CA C 13 54.491 0.000 . . . . . . A 7 ALA CA . 30962 1 78 . 1 . 1 7 7 ALA CB C 13 17.853 0.000 . . . . . . A 7 ALA CB . 30962 1 79 . 1 . 1 7 7 ALA N N 15 120.770 0.000 . . . . . . A 7 ALA N . 30962 1 80 . 1 . 1 8 8 ALA H H 1 7.473 0.000 . . . . . . A 8 ALA H . 30962 1 81 . 1 . 1 8 8 ALA HA H 1 4.150 0.000 . . . . . . A 8 ALA HA . 30962 1 82 . 1 . 1 8 8 ALA HB1 H 1 1.521 0.000 . . . . . . A 8 ALA HB1 . 30962 1 83 . 1 . 1 8 8 ALA HB2 H 1 1.521 0.000 . . . . . . A 8 ALA HB2 . 30962 1 84 . 1 . 1 8 8 ALA HB3 H 1 1.521 0.000 . . . . . . A 8 ALA HB3 . 30962 1 85 . 1 . 1 8 8 ALA C C 13 180.718 0.000 . . . . . . A 8 ALA C . 30962 1 86 . 1 . 1 8 8 ALA CA C 13 54.478 0.000 . . . . . . A 8 ALA CA . 30962 1 87 . 1 . 1 8 8 ALA CB C 13 18.182 0.000 . . . . . . A 8 ALA CB . 30962 1 88 . 1 . 1 8 8 ALA N N 15 120.225 0.000 . . . . . . A 8 ALA N . 30962 1 89 . 1 . 1 9 9 VAL H H 1 7.953 0.000 . . . . . . A 9 VAL H . 30962 1 90 . 1 . 1 9 9 VAL HA H 1 3.537 0.000 . . . . . . A 9 VAL HA . 30962 1 91 . 1 . 1 9 9 VAL HB H 1 2.217 0.000 . . . . . . A 9 VAL HB . 30962 1 92 . 1 . 1 9 9 VAL HG11 H 1 0.958 0.000 . . . . . . A 9 VAL HG11 . 30962 1 93 . 1 . 1 9 9 VAL HG12 H 1 0.958 0.000 . . . . . . A 9 VAL HG12 . 30962 1 94 . 1 . 1 9 9 VAL HG13 H 1 0.958 0.000 . . . . . . A 9 VAL HG13 . 30962 1 95 . 1 . 1 9 9 VAL HG21 H 1 0.898 0.000 . . . . . . A 9 VAL HG21 . 30962 1 96 . 1 . 1 9 9 VAL HG22 H 1 0.898 0.000 . . . . . . A 9 VAL HG22 . 30962 1 97 . 1 . 1 9 9 VAL HG23 H 1 0.898 0.000 . . . . . . A 9 VAL HG23 . 30962 1 98 . 1 . 1 9 9 VAL C C 13 178.540 0.000 . . . . . . A 9 VAL C . 30962 1 99 . 1 . 1 9 9 VAL CA C 13 66.106 0.000 . . . . . . A 9 VAL CA . 30962 1 100 . 1 . 1 9 9 VAL CB C 13 31.625 0.000 . . . . . . A 9 VAL CB . 30962 1 101 . 1 . 1 9 9 VAL CG1 C 13 23.372 0.000 . . . . . . A 9 VAL CG1 . 30962 1 102 . 1 . 1 9 9 VAL CG2 C 13 21.890 0.000 . . . . . . A 9 VAL CG2 . 30962 1 103 . 1 . 1 9 9 VAL N N 15 119.237 0.000 . . . . . . A 9 VAL N . 30962 1 104 . 1 . 1 10 10 GLU H H 1 7.657 0.000 . . . . . . A 10 GLU H . 30962 1 105 . 1 . 1 10 10 GLU HA H 1 4.087 0.000 . . . . . . A 10 GLU HA . 30962 1 106 . 1 . 1 10 10 GLU HB2 H 1 2.137 0.000 . . . . . . A 10 GLU HB2 . 30962 1 107 . 1 . 1 10 10 GLU HB3 H 1 2.062 0.000 . . . . . . A 10 GLU HB3 . 30962 1 108 . 1 . 1 10 10 GLU HG2 H 1 2.289 0.000 . . . . . . A 10 GLU HG2 . 30962 1 109 . 1 . 1 10 10 GLU HG3 H 1 2.439 0.000 . . . . . . A 10 GLU HG3 . 30962 1 110 . 1 . 1 10 10 GLU C C 13 177.245 0.000 . . . . . . A 10 GLU C . 30962 1 111 . 1 . 1 10 10 GLU CA C 13 58.176 0.000 . . . . . . A 10 GLU CA . 30962 1 112 . 1 . 1 10 10 GLU CB C 13 29.358 0.000 . . . . . . A 10 GLU CB . 30962 1 113 . 1 . 1 10 10 GLU CG C 13 36.347 0.000 . . . . . . A 10 GLU CG . 30962 1 114 . 1 . 1 10 10 GLU N N 15 118.553 0.000 . . . . . . A 10 GLU N . 30962 1 115 . 1 . 1 11 11 GLN H H 1 7.354 0.000 . . . . . . A 11 GLN H . 30962 1 116 . 1 . 1 11 11 GLN HA H 1 4.294 0.000 . . . . . . A 11 GLN HA . 30962 1 117 . 1 . 1 11 11 GLN HB2 H 1 2.005 0.000 . . . . . . A 11 GLN HB2 . 30962 1 118 . 1 . 1 11 11 GLN HB3 H 1 2.332 0.000 . . . . . . A 11 GLN HB3 . 30962 1 119 . 1 . 1 11 11 GLN HG2 H 1 2.485 0.000 . . . . . . A 11 GLN HG2 . 30962 1 120 . 1 . 1 11 11 GLN HG3 H 1 2.436 0.000 . . . . . . A 11 GLN HG3 . 30962 1 121 . 1 . 1 11 11 GLN HE21 H 1 6.804 0.000 . . . . . . A 11 GLN HE21 . 30962 1 122 . 1 . 1 11 11 GLN HE22 H 1 7.492 0.000 . . . . . . A 11 GLN HE22 . 30962 1 123 . 1 . 1 11 11 GLN C C 13 176.499 0.000 . . . . . . A 11 GLN C . 30962 1 124 . 1 . 1 11 11 GLN CA C 13 55.355 0.000 . . . . . . A 11 GLN CA . 30962 1 125 . 1 . 1 11 11 GLN CB C 13 29.275 0.000 . . . . . . A 11 GLN CB . 30962 1 126 . 1 . 1 11 11 GLN CG C 13 33.986 0.000 . . . . . . A 11 GLN CG . 30962 1 127 . 1 . 1 11 11 GLN N N 15 114.888 0.000 . . . . . . A 11 GLN N . 30962 1 128 . 1 . 1 11 11 GLN NE2 N 15 112.402 0.000 . . . . . . A 11 GLN NE2 . 30962 1 129 . 1 . 1 12 12 LEU H H 1 7.370 0.000 . . . . . . A 12 LEU H . 30962 1 130 . 1 . 1 12 12 LEU HA H 1 4.511 0.000 . . . . . . A 12 LEU HA . 30962 1 131 . 1 . 1 12 12 LEU HB2 H 1 1.914 0.000 . . . . . . A 12 LEU HB2 . 30962 1 132 . 1 . 1 12 12 LEU HB3 H 1 1.497 0.000 . . . . . . A 12 LEU HB3 . 30962 1 133 . 1 . 1 12 12 LEU HG H 1 2.194 0.000 . . . . . . A 12 LEU HG . 30962 1 134 . 1 . 1 12 12 LEU HD11 H 1 0.951 0.000 . . . . . . A 12 LEU HD11 . 30962 1 135 . 1 . 1 12 12 LEU HD12 H 1 0.951 0.000 . . . . . . A 12 LEU HD12 . 30962 1 136 . 1 . 1 12 12 LEU HD13 H 1 0.951 0.000 . . . . . . A 12 LEU HD13 . 30962 1 137 . 1 . 1 12 12 LEU HD21 H 1 0.917 0.000 . . . . . . A 12 LEU HD21 . 30962 1 138 . 1 . 1 12 12 LEU HD22 H 1 0.917 0.000 . . . . . . A 12 LEU HD22 . 30962 1 139 . 1 . 1 12 12 LEU HD23 H 1 0.917 0.000 . . . . . . A 12 LEU HD23 . 30962 1 140 . 1 . 1 12 12 LEU C C 13 178.022 0.000 . . . . . . A 12 LEU C . 30962 1 141 . 1 . 1 12 12 LEU CA C 13 55.102 0.000 . . . . . . A 12 LEU CA . 30962 1 142 . 1 . 1 12 12 LEU CB C 13 43.058 0.000 . . . . . . A 12 LEU CB . 30962 1 143 . 1 . 1 12 12 LEU CG C 13 26.242 0.000 . . . . . . A 12 LEU CG . 30962 1 144 . 1 . 1 12 12 LEU CD1 C 13 27.293 0.000 . . . . . . A 12 LEU CD1 . 30962 1 145 . 1 . 1 12 12 LEU CD2 C 13 23.120 0.000 . . . . . . A 12 LEU CD2 . 30962 1 146 . 1 . 1 12 12 LEU N N 15 120.990 0.000 . . . . . . A 12 LEU N . 30962 1 147 . 1 . 1 13 13 THR H H 1 8.862 0.000 . . . . . . A 13 THR H . 30962 1 148 . 1 . 1 13 13 THR HA H 1 4.411 0.000 . . . . . . A 13 THR HA . 30962 1 149 . 1 . 1 13 13 THR HB H 1 4.785 0.000 . . . . . . A 13 THR HB . 30962 1 150 . 1 . 1 13 13 THR HG21 H 1 1.365 0.000 . . . . . . A 13 THR HG21 . 30962 1 151 . 1 . 1 13 13 THR HG22 H 1 1.365 0.000 . . . . . . A 13 THR HG22 . 30962 1 152 . 1 . 1 13 13 THR HG23 H 1 1.365 0.000 . . . . . . A 13 THR HG23 . 30962 1 153 . 1 . 1 13 13 THR C C 13 175.508 0.000 . . . . . . A 13 THR C . 30962 1 154 . 1 . 1 13 13 THR CA C 13 60.645 0.000 . . . . . . A 13 THR CA . 30962 1 155 . 1 . 1 13 13 THR CB C 13 70.923 0.000 . . . . . . A 13 THR CB . 30962 1 156 . 1 . 1 13 13 THR CG2 C 13 21.789 0.000 . . . . . . A 13 THR CG2 . 30962 1 157 . 1 . 1 13 13 THR N N 15 113.745 0.000 . . . . . . A 13 THR N . 30962 1 158 . 1 . 1 14 14 GLU H H 1 9.047 0.000 . . . . . . A 14 GLU H . 30962 1 159 . 1 . 1 14 14 GLU HA H 1 3.960 0.000 . . . . . . A 14 GLU HA . 30962 1 160 . 1 . 1 14 14 GLU HB2 H 1 2.066 0.000 . . . . . . A 14 GLU HB2 . 30962 1 161 . 1 . 1 14 14 GLU HB3 H 1 1.998 0.000 . . . . . . A 14 GLU HB3 . 30962 1 162 . 1 . 1 14 14 GLU HG2 H 1 2.361 0.000 . . . . . . A 14 GLU HG2 . 30962 1 163 . 1 . 1 14 14 GLU HG3 H 1 2.258 0.000 . . . . . . A 14 GLU HG3 . 30962 1 164 . 1 . 1 14 14 GLU C C 13 178.509 0.000 . . . . . . A 14 GLU C . 30962 1 165 . 1 . 1 14 14 GLU CA C 13 59.727 0.000 . . . . . . A 14 GLU CA . 30962 1 166 . 1 . 1 14 14 GLU CB C 13 29.148 0.000 . . . . . . A 14 GLU CB . 30962 1 167 . 1 . 1 14 14 GLU CG C 13 36.088 0.000 . . . . . . A 14 GLU CG . 30962 1 168 . 1 . 1 14 14 GLU N N 15 121.998 0.000 . . . . . . A 14 GLU N . 30962 1 169 . 1 . 1 15 15 GLU H H 1 8.699 0.000 . . . . . . A 15 GLU H . 30962 1 170 . 1 . 1 15 15 GLU HA H 1 4.038 0.000 . . . . . . A 15 GLU HA . 30962 1 171 . 1 . 1 15 15 GLU HB2 H 1 1.898 0.000 . . . . . . A 15 GLU HB2 . 30962 1 172 . 1 . 1 15 15 GLU HB3 H 1 2.030 0.000 . . . . . . A 15 GLU HB3 . 30962 1 173 . 1 . 1 15 15 GLU HG2 H 1 2.279 0.000 . . . . . . A 15 GLU HG2 . 30962 1 174 . 1 . 1 15 15 GLU HG3 H 1 2.386 0.000 . . . . . . A 15 GLU HG3 . 30962 1 175 . 1 . 1 15 15 GLU C C 13 179.743 0.000 . . . . . . A 15 GLU C . 30962 1 176 . 1 . 1 15 15 GLU CA C 13 60.250 0.000 . . . . . . A 15 GLU CA . 30962 1 177 . 1 . 1 15 15 GLU CB C 13 28.951 0.000 . . . . . . A 15 GLU CB . 30962 1 178 . 1 . 1 15 15 GLU CG C 13 36.906 0.000 . . . . . . A 15 GLU CG . 30962 1 179 . 1 . 1 15 15 GLU N N 15 117.628 0.000 . . . . . . A 15 GLU N . 30962 1 180 . 1 . 1 16 16 GLN H H 1 7.858 0.000 . . . . . . A 16 GLN H . 30962 1 181 . 1 . 1 16 16 GLN HA H 1 3.807 0.000 . . . . . . A 16 GLN HA . 30962 1 182 . 1 . 1 16 16 GLN HB2 H 1 1.703 0.000 . . . . . . A 16 GLN HB2 . 30962 1 183 . 1 . 1 16 16 GLN HB3 H 1 2.427 0.000 . . . . . . A 16 GLN HB3 . 30962 1 184 . 1 . 1 16 16 GLN HG2 H 1 2.397 0.000 . . . . . . A 16 GLN HG2 . 30962 1 185 . 1 . 1 16 16 GLN HG3 H 1 2.221 0.000 . . . . . . A 16 GLN HG3 . 30962 1 186 . 1 . 1 16 16 GLN HE21 H 1 7.529 0.000 . . . . . . A 16 GLN HE21 . 30962 1 187 . 1 . 1 16 16 GLN HE22 H 1 6.803 0.000 . . . . . . A 16 GLN HE22 . 30962 1 188 . 1 . 1 16 16 GLN C C 13 178.494 0.000 . . . . . . A 16 GLN C . 30962 1 189 . 1 . 1 16 16 GLN CA C 13 58.842 0.000 . . . . . . A 16 GLN CA . 30962 1 190 . 1 . 1 16 16 GLN CB C 13 29.277 0.000 . . . . . . A 16 GLN CB . 30962 1 191 . 1 . 1 16 16 GLN CG C 13 34.862 0.000 . . . . . . A 16 GLN CG . 30962 1 192 . 1 . 1 16 16 GLN N N 15 119.429 0.000 . . . . . . A 16 GLN N . 30962 1 193 . 1 . 1 16 16 GLN NE2 N 15 111.453 0.000 . . . . . . A 16 GLN NE2 . 30962 1 194 . 1 . 1 17 17 LYS H H 1 8.617 0.000 . . . . . . A 17 LYS H . 30962 1 195 . 1 . 1 17 17 LYS HA H 1 4.036 0.000 . . . . . . A 17 LYS HA . 30962 1 196 . 1 . 1 17 17 LYS HB2 H 1 1.984 0.000 . . . . . . A 17 LYS HB2 . 30962 1 197 . 1 . 1 17 17 LYS HB3 H 1 2.052 0.000 . . . . . . A 17 LYS HB3 . 30962 1 198 . 1 . 1 17 17 LYS HG2 H 1 1.495 0.000 . . . . . . A 17 LYS HG2 . 30962 1 199 . 1 . 1 17 17 LYS HG3 H 1 1.517 0.000 . . . . . . A 17 LYS HG3 . 30962 1 200 . 1 . 1 17 17 LYS HD2 H 1 1.784 0.000 . . . . . . A 17 LYS HD2 . 30962 1 201 . 1 . 1 17 17 LYS HD3 H 1 1.729 0.000 . . . . . . A 17 LYS HD3 . 30962 1 202 . 1 . 1 17 17 LYS HE2 H 1 2.930 0.000 . . . . . . A 17 LYS HE2 . 30962 1 203 . 1 . 1 17 17 LYS HE3 H 1 2.930 0.000 . . . . . . A 17 LYS HE3 . 30962 1 204 . 1 . 1 17 17 LYS C C 13 178.616 0.000 . . . . . . A 17 LYS C . 30962 1 205 . 1 . 1 17 17 LYS CA C 13 61.655 0.000 . . . . . . A 17 LYS CA . 30962 1 206 . 1 . 1 17 17 LYS CB C 13 32.021 0.000 . . . . . . A 17 LYS CB . 30962 1 207 . 1 . 1 17 17 LYS CG C 13 27.086 0.000 . . . . . . A 17 LYS CG . 30962 1 208 . 1 . 1 17 17 LYS CD C 13 29.406 0.000 . . . . . . A 17 LYS CD . 30962 1 209 . 1 . 1 17 17 LYS CE C 13 41.780 0.000 . . . . . . A 17 LYS CE . 30962 1 210 . 1 . 1 17 17 LYS N N 15 119.349 0.000 . . . . . . A 17 LYS N . 30962 1 211 . 1 . 1 18 18 ASN H H 1 8.656 0.000 . . . . . . A 18 ASN H . 30962 1 212 . 1 . 1 18 18 ASN HA H 1 4.548 0.000 . . . . . . A 18 ASN HA . 30962 1 213 . 1 . 1 18 18 ASN HB2 H 1 2.796 0.000 . . . . . . A 18 ASN HB2 . 30962 1 214 . 1 . 1 18 18 ASN HB3 H 1 2.973 0.000 . . . . . . A 18 ASN HB3 . 30962 1 215 . 1 . 1 18 18 ASN HD21 H 1 7.646 0.000 . . . . . . A 18 ASN HD21 . 30962 1 216 . 1 . 1 18 18 ASN HD22 H 1 7.021 0.000 . . . . . . A 18 ASN HD22 . 30962 1 217 . 1 . 1 18 18 ASN C C 13 178.525 0.000 . . . . . . A 18 ASN C . 30962 1 218 . 1 . 1 18 18 ASN CA C 13 55.698 0.000 . . . . . . A 18 ASN CA . 30962 1 219 . 1 . 1 18 18 ASN CB C 13 37.645 0.000 . . . . . . A 18 ASN CB . 30962 1 220 . 1 . 1 18 18 ASN N N 15 117.658 0.000 . . . . . . A 18 ASN N . 30962 1 221 . 1 . 1 18 18 ASN ND2 N 15 111.846 0.000 . . . . . . A 18 ASN ND2 . 30962 1 222 . 1 . 1 19 19 GLU H H 1 7.928 0.000 . . . . . . A 19 GLU H . 30962 1 223 . 1 . 1 19 19 GLU HA H 1 4.184 0.000 . . . . . . A 19 GLU HA . 30962 1 224 . 1 . 1 19 19 GLU HB2 H 1 1.864 0.000 . . . . . . A 19 GLU HB2 . 30962 1 225 . 1 . 1 19 19 GLU HB3 H 1 1.943 0.000 . . . . . . A 19 GLU HB3 . 30962 1 226 . 1 . 1 19 19 GLU HG2 H 1 2.085 0.000 . . . . . . A 19 GLU HG2 . 30962 1 227 . 1 . 1 19 19 GLU HG3 H 1 2.320 0.000 . . . . . . A 19 GLU HG3 . 30962 1 228 . 1 . 1 19 19 GLU C C 13 178.768 0.000 . . . . . . A 19 GLU C . 30962 1 229 . 1 . 1 19 19 GLU CA C 13 59.642 0.000 . . . . . . A 19 GLU CA . 30962 1 230 . 1 . 1 19 19 GLU CB C 13 29.345 0.000 . . . . . . A 19 GLU CB . 30962 1 231 . 1 . 1 19 19 GLU CG C 13 36.613 0.000 . . . . . . A 19 GLU CG . 30962 1 232 . 1 . 1 19 19 GLU N N 15 123.810 0.000 . . . . . . A 19 GLU N . 30962 1 233 . 1 . 1 20 20 PHE H H 1 8.265 0.000 . . . . . . A 20 PHE H . 30962 1 234 . 1 . 1 20 20 PHE HA H 1 4.832 0.000 . . . . . . A 20 PHE HA . 30962 1 235 . 1 . 1 20 20 PHE HB2 H 1 3.451 0.000 . . . . . . A 20 PHE HB2 . 30962 1 236 . 1 . 1 20 20 PHE HB3 H 1 3.466 0.000 . . . . . . A 20 PHE HB3 . 30962 1 237 . 1 . 1 20 20 PHE HD1 H 1 7.300 0.000 . . . . . . A 20 PHE HD1 . 30962 1 238 . 1 . 1 20 20 PHE HD2 H 1 7.300 0.000 . . . . . . A 20 PHE HD2 . 30962 1 239 . 1 . 1 20 20 PHE HE1 H 1 7.230 0.000 . . . . . . A 20 PHE HE1 . 30962 1 240 . 1 . 1 20 20 PHE HE2 H 1 7.230 0.000 . . . . . . A 20 PHE HE2 . 30962 1 241 . 1 . 1 20 20 PHE HZ H 1 7.230 0.100 . . . . . . A 20 PHE HZ . 30962 1 242 . 1 . 1 20 20 PHE C C 13 178.601 0.000 . . . . . . A 20 PHE C . 30962 1 243 . 1 . 1 20 20 PHE CA C 13 60.645 0.000 . . . . . . A 20 PHE CA . 30962 1 244 . 1 . 1 20 20 PHE CB C 13 38.393 0.000 . . . . . . A 20 PHE CB . 30962 1 245 . 1 . 1 20 20 PHE CD1 C 13 130.600 0.000 . . . . . . A 20 PHE CD1 . 30962 1 246 . 1 . 1 20 20 PHE CD2 C 13 130.600 0.000 . . . . . . A 20 PHE CD2 . 30962 1 247 . 1 . 1 20 20 PHE CE1 C 13 130.900 0.000 . . . . . . A 20 PHE CE1 . 30962 1 248 . 1 . 1 20 20 PHE CE2 C 13 130.900 0.000 . . . . . . A 20 PHE CE2 . 30962 1 249 . 1 . 1 20 20 PHE CZ C 13 128.700 0.000 . . . . . . A 20 PHE CZ . 30962 1 250 . 1 . 1 20 20 PHE N N 15 117.384 0.000 . . . . . . A 20 PHE N . 30962 1 251 . 1 . 1 21 21 LYS H H 1 8.992 0.000 . . . . . . A 21 LYS H . 30962 1 252 . 1 . 1 21 21 LYS HA H 1 3.972 0.000 . . . . . . A 21 LYS HA . 30962 1 253 . 1 . 1 21 21 LYS HB2 H 1 2.036 0.000 . . . . . . A 21 LYS HB2 . 30962 1 254 . 1 . 1 21 21 LYS HB3 H 1 1.721 0.000 . . . . . . A 21 LYS HB3 . 30962 1 255 . 1 . 1 21 21 LYS HG2 H 1 1.137 0.000 . . . . . . A 21 LYS HG2 . 30962 1 256 . 1 . 1 21 21 LYS HG3 H 1 1.164 0.000 . . . . . . A 21 LYS HG3 . 30962 1 257 . 1 . 1 21 21 LYS HD2 H 1 0.224 0.000 . . . . . . A 21 LYS HD2 . 30962 1 258 . 1 . 1 21 21 LYS HD3 H 1 1.456 0.000 . . . . . . A 21 LYS HD3 . 30962 1 259 . 1 . 1 21 21 LYS HE2 H 1 2.693 0.000 . . . . . . A 21 LYS HE2 . 30962 1 260 . 1 . 1 21 21 LYS HE3 H 1 2.632 0.000 . . . . . . A 21 LYS HE3 . 30962 1 261 . 1 . 1 21 21 LYS C C 13 176.834 0.000 . . . . . . A 21 LYS C . 30962 1 262 . 1 . 1 21 21 LYS CA C 13 58.257 0.000 . . . . . . A 21 LYS CA . 30962 1 263 . 1 . 1 21 21 LYS CB C 13 31.490 0.000 . . . . . . A 21 LYS CB . 30962 1 264 . 1 . 1 21 21 LYS CG C 13 24.069 0.000 . . . . . . A 21 LYS CG . 30962 1 265 . 1 . 1 21 21 LYS CD C 13 26.754 0.000 . . . . . . A 21 LYS CD . 30962 1 266 . 1 . 1 21 21 LYS CE C 13 42.116 0.000 . . . . . . A 21 LYS CE . 30962 1 267 . 1 . 1 21 21 LYS N N 15 122.286 0.000 . . . . . . A 21 LYS N . 30962 1 268 . 1 . 1 22 22 ALA H H 1 7.978 0.000 . . . . . . A 22 ALA H . 30962 1 269 . 1 . 1 22 22 ALA HA H 1 4.188 0.000 . . . . . . A 22 ALA HA . 30962 1 270 . 1 . 1 22 22 ALA HB1 H 1 1.565 0.000 . . . . . . A 22 ALA HB1 . 30962 1 271 . 1 . 1 22 22 ALA HB2 H 1 1.565 0.000 . . . . . . A 22 ALA HB2 . 30962 1 272 . 1 . 1 22 22 ALA HB3 H 1 1.565 0.000 . . . . . . A 22 ALA HB3 . 30962 1 273 . 1 . 1 22 22 ALA C C 13 180.733 0.000 . . . . . . A 22 ALA C . 30962 1 274 . 1 . 1 22 22 ALA CA C 13 54.977 0.000 . . . . . . A 22 ALA CA . 30962 1 275 . 1 . 1 22 22 ALA CB C 13 17.534 0.000 . . . . . . A 22 ALA CB . 30962 1 276 . 1 . 1 22 22 ALA N N 15 121.972 0.000 . . . . . . A 22 ALA N . 30962 1 277 . 1 . 1 23 23 ALA H H 1 8.023 0.000 . . . . . . A 23 ALA H . 30962 1 278 . 1 . 1 23 23 ALA HA H 1 4.070 0.000 . . . . . . A 23 ALA HA . 30962 1 279 . 1 . 1 23 23 ALA HB1 H 1 1.888 0.000 . . . . . . A 23 ALA HB1 . 30962 1 280 . 1 . 1 23 23 ALA HB2 H 1 1.888 0.000 . . . . . . A 23 ALA HB2 . 30962 1 281 . 1 . 1 23 23 ALA HB3 H 1 1.888 0.000 . . . . . . A 23 ALA HB3 . 30962 1 282 . 1 . 1 23 23 ALA C C 13 178.844 0.000 . . . . . . A 23 ALA C . 30962 1 283 . 1 . 1 23 23 ALA CA C 13 55.180 0.000 . . . . . . A 23 ALA CA . 30962 1 284 . 1 . 1 23 23 ALA CB C 13 18.982 0.000 . . . . . . A 23 ALA CB . 30962 1 285 . 1 . 1 23 23 ALA N N 15 119.603 0.000 . . . . . . A 23 ALA N . 30962 1 286 . 1 . 1 24 24 PHE H H 1 8.957 0.000 . . . . . . A 24 PHE H . 30962 1 287 . 1 . 1 24 24 PHE HA H 1 3.496 0.000 . . . . . . A 24 PHE HA . 30962 1 288 . 1 . 1 24 24 PHE HB2 H 1 3.103 0.000 . . . . . . A 24 PHE HB2 . 30962 1 289 . 1 . 1 24 24 PHE HB3 H 1 2.827 0.000 . . . . . . A 24 PHE HB3 . 30962 1 290 . 1 . 1 24 24 PHE HD1 H 1 7.150 0.000 . . . . . . A 24 PHE HD1 . 30962 1 291 . 1 . 1 24 24 PHE HD2 H 1 7.150 0.000 . . . . . . A 24 PHE HD2 . 30962 1 292 . 1 . 1 24 24 PHE HE1 H 1 6.695 0.000 . . . . . . A 24 PHE HE1 . 30962 1 293 . 1 . 1 24 24 PHE HE2 H 1 6.695 0.000 . . . . . . A 24 PHE HE2 . 30962 1 294 . 1 . 1 24 24 PHE HZ H 1 7.331 0.000 . . . . . . A 24 PHE HZ . 30962 1 295 . 1 . 1 24 24 PHE C C 13 175.844 0.000 . . . . . . A 24 PHE C . 30962 1 296 . 1 . 1 24 24 PHE CA C 13 62.003 0.000 . . . . . . A 24 PHE CA . 30962 1 297 . 1 . 1 24 24 PHE CB C 13 39.709 0.000 . . . . . . A 24 PHE CB . 30962 1 298 . 1 . 1 24 24 PHE CD1 C 13 130.050 0.000 . . . . . . A 24 PHE CD1 . 30962 1 299 . 1 . 1 24 24 PHE CD2 C 13 130.050 0.000 . . . . . . A 24 PHE CD2 . 30962 1 300 . 1 . 1 24 24 PHE CE1 C 13 132.150 0.000 . . . . . . A 24 PHE CE1 . 30962 1 301 . 1 . 1 24 24 PHE CE2 C 13 132.150 0.000 . . . . . . A 24 PHE CE2 . 30962 1 302 . 1 . 1 24 24 PHE CZ C 13 128.960 0.000 . . . . . . A 24 PHE CZ . 30962 1 303 . 1 . 1 24 24 PHE N N 15 121.725 0.000 . . . . . . A 24 PHE N . 30962 1 304 . 1 . 1 25 25 ASP H H 1 8.793 0.000 . . . . . . A 25 ASP H . 30962 1 305 . 1 . 1 25 25 ASP HA H 1 4.187 0.000 . . . . . . A 25 ASP HA . 30962 1 306 . 1 . 1 25 25 ASP HB2 H 1 2.470 0.000 . . . . . . A 25 ASP HB2 . 30962 1 307 . 1 . 1 25 25 ASP HB3 H 1 2.747 0.000 . . . . . . A 25 ASP HB3 . 30962 1 308 . 1 . 1 25 25 ASP C C 13 179.088 0.000 . . . . . . A 25 ASP C . 30962 1 309 . 1 . 1 25 25 ASP CA C 13 56.880 0.000 . . . . . . A 25 ASP CA . 30962 1 310 . 1 . 1 25 25 ASP CB C 13 39.623 0.000 . . . . . . A 25 ASP CB . 30962 1 311 . 1 . 1 25 25 ASP N N 15 117.437 0.000 . . . . . . A 25 ASP N . 30962 1 312 . 1 . 1 26 26 ILE H H 1 7.179 0.000 . . . . . . A 26 ILE H . 30962 1 313 . 1 . 1 26 26 ILE HA H 1 3.777 0.000 . . . . . . A 26 ILE HA . 30962 1 314 . 1 . 1 26 26 ILE HB H 1 2.035 0.000 . . . . . . A 26 ILE HB . 30962 1 315 . 1 . 1 26 26 ILE HG12 H 1 1.708 0.000 . . . . . . A 26 ILE HG12 . 30962 1 316 . 1 . 1 26 26 ILE HG13 H 1 1.299 0.000 . . . . . . A 26 ILE HG13 . 30962 1 317 . 1 . 1 26 26 ILE HG21 H 1 0.937 0.000 . . . . . . A 26 ILE HG21 . 30962 1 318 . 1 . 1 26 26 ILE HG22 H 1 0.937 0.000 . . . . . . A 26 ILE HG22 . 30962 1 319 . 1 . 1 26 26 ILE HG23 H 1 0.937 0.000 . . . . . . A 26 ILE HG23 . 30962 1 320 . 1 . 1 26 26 ILE HD11 H 1 0.840 0.000 . . . . . . A 26 ILE HD11 . 30962 1 321 . 1 . 1 26 26 ILE HD12 H 1 0.840 0.000 . . . . . . A 26 ILE HD12 . 30962 1 322 . 1 . 1 26 26 ILE HD13 H 1 0.840 0.000 . . . . . . A 26 ILE HD13 . 30962 1 323 . 1 . 1 26 26 ILE C C 13 178.311 0.000 . . . . . . A 26 ILE C . 30962 1 324 . 1 . 1 26 26 ILE CA C 13 63.314 0.000 . . . . . . A 26 ILE CA . 30962 1 325 . 1 . 1 26 26 ILE CB C 13 37.627 0.000 . . . . . . A 26 ILE CB . 30962 1 326 . 1 . 1 26 26 ILE CG1 C 13 28.391 0.000 . . . . . . A 26 ILE CG1 . 30962 1 327 . 1 . 1 26 26 ILE CG2 C 13 17.728 0.000 . . . . . . A 26 ILE CG2 . 30962 1 328 . 1 . 1 26 26 ILE CD1 C 13 12.458 0.000 . . . . . . A 26 ILE CD1 . 30962 1 329 . 1 . 1 26 26 ILE N N 15 119.289 0.000 . . . . . . A 26 ILE N . 30962 1 330 . 1 . 1 27 27 PHE H H 1 8.192 0.000 . . . . . . A 27 PHE H . 30962 1 331 . 1 . 1 27 27 PHE HA H 1 3.866 0.000 . . . . . . A 27 PHE HA . 30962 1 332 . 1 . 1 27 27 PHE HB2 H 1 3.143 0.000 . . . . . . A 27 PHE HB2 . 30962 1 333 . 1 . 1 27 27 PHE HB3 H 1 3.080 0.000 . . . . . . A 27 PHE HB3 . 30962 1 334 . 1 . 1 27 27 PHE HD1 H 1 7.250 0.050 . . . . . . A 27 PHE HD1 . 30962 1 335 . 1 . 1 27 27 PHE HD2 H 1 7.250 0.050 . . . . . . A 27 PHE HD2 . 30962 1 336 . 1 . 1 27 27 PHE HE1 H 1 7.250 0.050 . . . . . . A 27 PHE HE1 . 30962 1 337 . 1 . 1 27 27 PHE HE2 H 1 7.250 0.050 . . . . . . A 27 PHE HE2 . 30962 1 338 . 1 . 1 27 27 PHE HZ H 1 7.300 0.050 . . . . . . A 27 PHE HZ . 30962 1 339 . 1 . 1 27 27 PHE C C 13 179.362 0.000 . . . . . . A 27 PHE C . 30962 1 340 . 1 . 1 27 27 PHE CA C 13 59.945 0.000 . . . . . . A 27 PHE CA . 30962 1 341 . 1 . 1 27 27 PHE CB C 13 40.270 0.000 . . . . . . A 27 PHE CB . 30962 1 342 . 1 . 1 27 27 PHE CD1 C 13 130.700 0.300 . . . . . . A 27 PHE CD1 . 30962 1 343 . 1 . 1 27 27 PHE CD2 C 13 130.700 0.200 . . . . . . A 27 PHE CD2 . 30962 1 344 . 1 . 1 27 27 PHE CE1 C 13 130.700 0.300 . . . . . . A 27 PHE CE1 . 30962 1 345 . 1 . 1 27 27 PHE CE2 C 13 130.700 0.300 . . . . . . A 27 PHE CE2 . 30962 1 346 . 1 . 1 27 27 PHE CZ C 13 130.700 0.300 . . . . . . A 27 PHE CZ . 30962 1 347 . 1 . 1 27 27 PHE N N 15 125.572 0.000 . . . . . . A 27 PHE N . 30962 1 348 . 1 . 1 28 28 VAL H H 1 7.642 0.000 . . . . . . A 28 VAL H . 30962 1 349 . 1 . 1 28 28 VAL HA H 1 4.006 0.000 . . . . . . A 28 VAL HA . 30962 1 350 . 1 . 1 28 28 VAL HB H 1 1.936 0.000 . . . . . . A 28 VAL HB . 30962 1 351 . 1 . 1 28 28 VAL HG11 H 1 -0.159 0.000 . . . . . . A 28 VAL HG11 . 30962 1 352 . 1 . 1 28 28 VAL HG12 H 1 -0.159 0.000 . . . . . . A 28 VAL HG12 . 30962 1 353 . 1 . 1 28 28 VAL HG13 H 1 -0.159 0.000 . . . . . . A 28 VAL HG13 . 30962 1 354 . 1 . 1 28 28 VAL HG21 H 1 0.539 0.000 . . . . . . A 28 VAL HG21 . 30962 1 355 . 1 . 1 28 28 VAL HG22 H 1 0.539 0.000 . . . . . . A 28 VAL HG22 . 30962 1 356 . 1 . 1 28 28 VAL HG23 H 1 0.539 0.000 . . . . . . A 28 VAL HG23 . 30962 1 357 . 1 . 1 28 28 VAL C C 13 175.950 0.000 . . . . . . A 28 VAL C . 30962 1 358 . 1 . 1 28 28 VAL CA C 13 60.985 0.000 . . . . . . A 28 VAL CA . 30962 1 359 . 1 . 1 28 28 VAL CB C 13 31.167 0.000 . . . . . . A 28 VAL CB . 30962 1 360 . 1 . 1 28 28 VAL CG1 C 13 21.767 0.000 . . . . . . A 28 VAL CG1 . 30962 1 361 . 1 . 1 28 28 VAL CG2 C 13 17.545 0.000 . . . . . . A 28 VAL CG2 . 30962 1 362 . 1 . 1 28 28 VAL N N 15 105.133 0.000 . . . . . . A 28 VAL N . 30962 1 363 . 1 . 1 29 29 LEU H H 1 7.167 0.000 . . . . . . A 29 LEU H . 30962 1 364 . 1 . 1 29 29 LEU HA H 1 4.065 0.000 . . . . . . A 29 LEU HA . 30962 1 365 . 1 . 1 29 29 LEU HB2 H 1 1.750 0.000 . . . . . . A 29 LEU HB2 . 30962 1 366 . 1 . 1 29 29 LEU HB3 H 1 1.544 0.000 . . . . . . A 29 LEU HB3 . 30962 1 367 . 1 . 1 29 29 LEU HG H 1 1.873 0.000 . . . . . . A 29 LEU HG . 30962 1 368 . 1 . 1 29 29 LEU HD11 H 1 0.877 0.000 . . . . . . A 29 LEU HD11 . 30962 1 369 . 1 . 1 29 29 LEU HD12 H 1 0.877 0.000 . . . . . . A 29 LEU HD12 . 30962 1 370 . 1 . 1 29 29 LEU HD13 H 1 0.877 0.000 . . . . . . A 29 LEU HD13 . 30962 1 371 . 1 . 1 29 29 LEU HD21 H 1 0.958 0.000 . . . . . . A 29 LEU HD21 . 30962 1 372 . 1 . 1 29 29 LEU HD22 H 1 0.958 0.000 . . . . . . A 29 LEU HD22 . 30962 1 373 . 1 . 1 29 29 LEU HD23 H 1 0.958 0.000 . . . . . . A 29 LEU HD23 . 30962 1 374 . 1 . 1 29 29 LEU C C 13 178.860 0.000 . . . . . . A 29 LEU C . 30962 1 375 . 1 . 1 29 29 LEU CA C 13 57.490 0.000 . . . . . . A 29 LEU CA . 30962 1 376 . 1 . 1 29 29 LEU CB C 13 41.529 0.000 . . . . . . A 29 LEU CB . 30962 1 377 . 1 . 1 29 29 LEU CG C 13 26.393 0.000 . . . . . . A 29 LEU CG . 30962 1 378 . 1 . 1 29 29 LEU CD1 C 13 24.218 0.000 . . . . . . A 29 LEU CD1 . 30962 1 379 . 1 . 1 29 29 LEU CD2 C 13 24.805 0.000 . . . . . . A 29 LEU CD2 . 30962 1 380 . 1 . 1 29 29 LEU N N 15 126.430 0.000 . . . . . . A 29 LEU N . 30962 1 381 . 1 . 1 30 30 GLY H H 1 8.993 0.000 . . . . . . A 30 GLY H . 30962 1 382 . 1 . 1 30 30 GLY HA2 H 1 3.670 0.000 . . . . . . A 30 GLY HA2 . 30962 1 383 . 1 . 1 30 30 GLY HA3 H 1 4.177 0.000 . . . . . . A 30 GLY HA3 . 30962 1 384 . 1 . 1 30 30 GLY C C 13 174.061 0.000 . . . . . . A 30 GLY C . 30962 1 385 . 1 . 1 30 30 GLY CA C 13 45.336 0.000 . . . . . . A 30 GLY CA . 30962 1 386 . 1 . 1 30 30 GLY N N 15 114.261 0.000 . . . . . . A 30 GLY N . 30962 1 387 . 1 . 1 31 31 ALA H H 1 8.278 0.000 . . . . . . A 31 ALA H . 30962 1 388 . 1 . 1 31 31 ALA HA H 1 4.417 0.000 . . . . . . A 31 ALA HA . 30962 1 389 . 1 . 1 31 31 ALA HB1 H 1 1.497 0.000 . . . . . . A 31 ALA HB1 . 30962 1 390 . 1 . 1 31 31 ALA HB2 H 1 1.497 0.000 . . . . . . A 31 ALA HB2 . 30962 1 391 . 1 . 1 31 31 ALA HB3 H 1 1.497 0.000 . . . . . . A 31 ALA HB3 . 30962 1 392 . 1 . 1 31 31 ALA C C 13 180.033 0.000 . . . . . . A 31 ALA C . 30962 1 393 . 1 . 1 31 31 ALA CA C 13 52.298 0.000 . . . . . . A 31 ALA CA . 30962 1 394 . 1 . 1 31 31 ALA CB C 13 19.957 0.000 . . . . . . A 31 ALA CB . 30962 1 395 . 1 . 1 31 31 ALA N N 15 124.641 0.000 . . . . . . A 31 ALA N . 30962 1 396 . 1 . 1 32 32 GLU H H 1 9.372 0.000 . . . . . . A 32 GLU H . 30962 1 397 . 1 . 1 32 32 GLU HA H 1 4.049 0.000 . . . . . . A 32 GLU HA . 30962 1 398 . 1 . 1 32 32 GLU HB2 H 1 2.009 0.000 . . . . . . A 32 GLU HB2 . 30962 1 399 . 1 . 1 32 32 GLU HB3 H 1 2.040 0.000 . . . . . . A 32 GLU HB3 . 30962 1 400 . 1 . 1 32 32 GLU HG2 H 1 2.257 0.000 . . . . . . A 32 GLU HG2 . 30962 1 401 . 1 . 1 32 32 GLU HG3 H 1 2.356 0.000 . . . . . . A 32 GLU HG3 . 30962 1 402 . 1 . 1 32 32 GLU C C 13 177.032 0.000 . . . . . . A 32 GLU C . 30962 1 403 . 1 . 1 32 32 GLU CA C 13 59.072 0.000 . . . . . . A 32 GLU CA . 30962 1 404 . 1 . 1 32 32 GLU CB C 13 29.546 0.000 . . . . . . A 32 GLU CB . 30962 1 405 . 1 . 1 32 32 GLU CG C 13 36.267 0.000 . . . . . . A 32 GLU CG . 30962 1 406 . 1 . 1 32 32 GLU N N 15 125.855 0.000 . . . . . . A 32 GLU N . 30962 1 407 . 1 . 1 33 33 ASP H H 1 8.036 0.000 . . . . . . A 33 ASP H . 30962 1 408 . 1 . 1 33 33 ASP HA H 1 4.697 0.000 . . . . . . A 33 ASP HA . 30962 1 409 . 1 . 1 33 33 ASP HB2 H 1 3.042 0.000 . . . . . . A 33 ASP HB2 . 30962 1 410 . 1 . 1 33 33 ASP HB3 H 1 2.539 0.000 . . . . . . A 33 ASP HB3 . 30962 1 411 . 1 . 1 33 33 ASP C C 13 177.626 0.000 . . . . . . A 33 ASP C . 30962 1 412 . 1 . 1 33 33 ASP CA C 13 52.510 0.000 . . . . . . A 33 ASP CA . 30962 1 413 . 1 . 1 33 33 ASP CB C 13 40.884 0.000 . . . . . . A 33 ASP CB . 30962 1 414 . 1 . 1 33 33 ASP N N 15 114.797 0.000 . . . . . . A 33 ASP N . 30962 1 415 . 1 . 1 34 34 GLY H H 1 7.408 0.000 . . . . . . A 34 GLY H . 30962 1 416 . 1 . 1 34 34 GLY HA2 H 1 3.845 0.000 . . . . . . A 34 GLY HA2 . 30962 1 417 . 1 . 1 34 34 GLY HA3 H 1 4.028 0.000 . . . . . . A 34 GLY HA3 . 30962 1 418 . 1 . 1 34 34 GLY C C 13 172.690 0.000 . . . . . . A 34 GLY C . 30962 1 419 . 1 . 1 34 34 GLY CA C 13 46.442 0.000 . . . . . . A 34 GLY CA . 30962 1 420 . 1 . 1 34 34 GLY N N 15 105.866 0.000 . . . . . . A 34 GLY N . 30962 1 421 . 1 . 1 35 35 CYS H H 1 7.391 0.000 . . . . . . A 35 CYS H . 30962 1 422 . 1 . 1 35 35 CYS HA H 1 4.949 0.000 . . . . . . A 35 CYS HA . 30962 1 423 . 1 . 1 35 35 CYS HB2 H 1 2.767 0.000 . . . . . . A 35 CYS HB2 . 30962 1 424 . 1 . 1 35 35 CYS HB3 H 1 2.377 0.000 . . . . . . A 35 CYS HB3 . 30962 1 425 . 1 . 1 35 35 CYS C C 13 172.523 0.000 . . . . . . A 35 CYS C . 30962 1 426 . 1 . 1 35 35 CYS CA C 13 57.878 0.000 . . . . . . A 35 CYS CA . 30962 1 427 . 1 . 1 35 35 CYS CB C 13 31.814 0.000 . . . . . . A 35 CYS CB . 30962 1 428 . 1 . 1 35 35 CYS N N 15 114.501 0.000 . . . . . . A 35 CYS N . 30962 1 429 . 1 . 1 36 36 ILE H H 1 8.949 0.000 . . . . . . A 36 ILE H . 30962 1 430 . 1 . 1 36 36 ILE HA H 1 3.585 0.000 . . . . . . A 36 ILE HA . 30962 1 431 . 1 . 1 36 36 ILE HB H 1 1.767 0.000 . . . . . . A 36 ILE HB . 30962 1 432 . 1 . 1 36 36 ILE HG12 H 1 -0.106 0.000 . . . . . . A 36 ILE HG12 . 30962 1 433 . 1 . 1 36 36 ILE HG13 H 1 1.299 0.000 . . . . . . A 36 ILE HG13 . 30962 1 434 . 1 . 1 36 36 ILE HG21 H 1 0.777 0.000 . . . . . . A 36 ILE HG21 . 30962 1 435 . 1 . 1 36 36 ILE HG22 H 1 0.777 0.000 . . . . . . A 36 ILE HG22 . 30962 1 436 . 1 . 1 36 36 ILE HG23 H 1 0.777 0.000 . . . . . . A 36 ILE HG23 . 30962 1 437 . 1 . 1 36 36 ILE HD11 H 1 0.083 0.000 . . . . . . A 36 ILE HD11 . 30962 1 438 . 1 . 1 36 36 ILE HD12 H 1 0.083 0.000 . . . . . . A 36 ILE HD12 . 30962 1 439 . 1 . 1 36 36 ILE HD13 H 1 0.083 0.000 . . . . . . A 36 ILE HD13 . 30962 1 440 . 1 . 1 36 36 ILE C C 13 174.990 0.000 . . . . . . A 36 ILE C . 30962 1 441 . 1 . 1 36 36 ILE CA C 13 63.283 0.000 . . . . . . A 36 ILE CA . 30962 1 442 . 1 . 1 36 36 ILE CB C 13 39.854 0.000 . . . . . . A 36 ILE CB . 30962 1 443 . 1 . 1 36 36 ILE CG1 C 13 28.364 0.000 . . . . . . A 36 ILE CG1 . 30962 1 444 . 1 . 1 36 36 ILE CG2 C 13 18.139 0.000 . . . . . . A 36 ILE CG2 . 30962 1 445 . 1 . 1 36 36 ILE CD1 C 13 14.154 0.000 . . . . . . A 36 ILE CD1 . 30962 1 446 . 1 . 1 36 36 ILE N N 15 119.704 0.000 . . . . . . A 36 ILE N . 30962 1 447 . 1 . 1 37 37 SER H H 1 9.390 0.000 . . . . . . A 37 SER H . 30962 1 448 . 1 . 1 37 37 SER HA H 1 5.147 0.000 . . . . . . A 37 SER HA . 30962 1 449 . 1 . 1 37 37 SER HB2 H 1 4.538 0.000 . . . . . . A 37 SER HB2 . 30962 1 450 . 1 . 1 37 37 SER HB3 H 1 4.308 0.000 . . . . . . A 37 SER HB3 . 30962 1 451 . 1 . 1 37 37 SER C C 13 175.661 0.000 . . . . . . A 37 SER C . 30962 1 452 . 1 . 1 37 37 SER CA C 13 56.821 0.000 . . . . . . A 37 SER CA . 30962 1 453 . 1 . 1 37 37 SER CB C 13 67.404 0.000 . . . . . . A 37 SER CB . 30962 1 454 . 1 . 1 37 37 SER N N 15 126.311 0.000 . . . . . . A 37 SER N . 30962 1 455 . 1 . 1 38 38 THR H H 1 8.696 0.000 . . . . . . A 38 THR H . 30962 1 456 . 1 . 1 38 38 THR HA H 1 3.719 0.000 . . . . . . A 38 THR HA . 30962 1 457 . 1 . 1 38 38 THR HB H 1 4.221 0.000 . . . . . . A 38 THR HB . 30962 1 458 . 1 . 1 38 38 THR HG21 H 1 1.266 0.000 . . . . . . A 38 THR HG21 . 30962 1 459 . 1 . 1 38 38 THR HG22 H 1 1.266 0.000 . . . . . . A 38 THR HG22 . 30962 1 460 . 1 . 1 38 38 THR HG23 H 1 1.266 0.000 . . . . . . A 38 THR HG23 . 30962 1 461 . 1 . 1 38 38 THR C C 13 176.803 0.000 . . . . . . A 38 THR C . 30962 1 462 . 1 . 1 38 38 THR CA C 13 66.525 0.000 . . . . . . A 38 THR CA . 30962 1 463 . 1 . 1 38 38 THR CB C 13 68.228 0.000 . . . . . . A 38 THR CB . 30962 1 464 . 1 . 1 38 38 THR CG2 C 13 22.478 0.000 . . . . . . A 38 THR CG2 . 30962 1 465 . 1 . 1 38 38 THR N N 15 110.792 0.000 . . . . . . A 38 THR N . 30962 1 466 . 1 . 1 39 39 LYS H H 1 8.009 0.000 . . . . . . A 39 LYS H . 30962 1 467 . 1 . 1 39 39 LYS HA H 1 4.027 0.000 . . . . . . A 39 LYS HA . 30962 1 468 . 1 . 1 39 39 LYS HB2 H 1 1.834 0.000 . . . . . . A 39 LYS HB2 . 30962 1 469 . 1 . 1 39 39 LYS HB3 H 1 1.663 0.000 . . . . . . A 39 LYS HB3 . 30962 1 470 . 1 . 1 39 39 LYS HG2 H 1 1.233 0.000 . . . . . . A 39 LYS HG2 . 30962 1 471 . 1 . 1 39 39 LYS HG3 H 1 1.256 0.000 . . . . . . A 39 LYS HG3 . 30962 1 472 . 1 . 1 39 39 LYS HD2 H 1 1.698 0.000 . . . . . . A 39 LYS HD2 . 30962 1 473 . 1 . 1 39 39 LYS HD3 H 1 1.389 0.000 . . . . . . A 39 LYS HD3 . 30962 1 474 . 1 . 1 39 39 LYS HE2 H 1 2.998 0.000 . . . . . . A 39 LYS HE2 . 30962 1 475 . 1 . 1 39 39 LYS HE3 H 1 2.957 0.000 . . . . . . A 39 LYS HE3 . 30962 1 476 . 1 . 1 39 39 LYS C C 13 178.738 0.000 . . . . . . A 39 LYS C . 30962 1 477 . 1 . 1 39 39 LYS CA C 13 59.616 0.000 . . . . . . A 39 LYS CA . 30962 1 478 . 1 . 1 39 39 LYS CB C 13 32.207 0.000 . . . . . . A 39 LYS CB . 30962 1 479 . 1 . 1 39 39 LYS CG C 13 24.541 0.000 . . . . . . A 39 LYS CG . 30962 1 480 . 1 . 1 39 39 LYS CD C 13 29.009 0.000 . . . . . . A 39 LYS CD . 30962 1 481 . 1 . 1 39 39 LYS CE C 13 41.795 0.000 . . . . . . A 39 LYS CE . 30962 1 482 . 1 . 1 39 39 LYS N N 15 123.727 0.000 . . . . . . A 39 LYS N . 30962 1 483 . 1 . 1 40 40 GLU H H 1 7.819 0.000 . . . . . . A 40 GLU H . 30962 1 484 . 1 . 1 40 40 GLU HA H 1 4.146 0.000 . . . . . . A 40 GLU HA . 30962 1 485 . 1 . 1 40 40 GLU HB2 H 1 2.503 0.000 . . . . . . A 40 GLU HB2 . 30962 1 486 . 1 . 1 40 40 GLU HB3 H 1 2.464 0.000 . . . . . . A 40 GLU HB3 . 30962 1 487 . 1 . 1 40 40 GLU HG2 H 1 2.351 0.000 . . . . . . A 40 GLU HG2 . 30962 1 488 . 1 . 1 40 40 GLU HG3 H 1 2.535 0.000 . . . . . . A 40 GLU HG3 . 30962 1 489 . 1 . 1 40 40 GLU C C 13 178.844 0.000 . . . . . . A 40 GLU C . 30962 1 490 . 1 . 1 40 40 GLU CA C 13 61.179 0.000 . . . . . . A 40 GLU CA . 30962 1 491 . 1 . 1 40 40 GLU CB C 13 29.685 0.000 . . . . . . A 40 GLU CB . 30962 1 492 . 1 . 1 40 40 GLU CG C 13 38.529 0.000 . . . . . . A 40 GLU CG . 30962 1 493 . 1 . 1 40 40 GLU N N 15 120.384 0.000 . . . . . . A 40 GLU N . 30962 1 494 . 1 . 1 41 41 LEU H H 1 8.512 0.000 . . . . . . A 41 LEU H . 30962 1 495 . 1 . 1 41 41 LEU HA H 1 4.342 0.000 . . . . . . A 41 LEU HA . 30962 1 496 . 1 . 1 41 41 LEU HB2 H 1 1.359 0.000 . . . . . . A 41 LEU HB2 . 30962 1 497 . 1 . 1 41 41 LEU HB3 H 1 1.754 0.000 . . . . . . A 41 LEU HB3 . 30962 1 498 . 1 . 1 41 41 LEU HG H 1 1.312 0.000 . . . . . . A 41 LEU HG . 30962 1 499 . 1 . 1 41 41 LEU HD11 H 1 0.856 0.000 . . . . . . A 41 LEU HD11 . 30962 1 500 . 1 . 1 41 41 LEU HD12 H 1 0.856 0.000 . . . . . . A 41 LEU HD12 . 30962 1 501 . 1 . 1 41 41 LEU HD13 H 1 0.856 0.000 . . . . . . A 41 LEU HD13 . 30962 1 502 . 1 . 1 41 41 LEU HD21 H 1 0.898 0.000 . . . . . . A 41 LEU HD21 . 30962 1 503 . 1 . 1 41 41 LEU HD22 H 1 0.898 0.000 . . . . . . A 41 LEU HD22 . 30962 1 504 . 1 . 1 41 41 LEU HD23 H 1 0.898 0.000 . . . . . . A 41 LEU HD23 . 30962 1 505 . 1 . 1 41 41 LEU C C 13 178.372 0.000 . . . . . . A 41 LEU C . 30962 1 506 . 1 . 1 41 41 LEU CA C 13 57.834 0.000 . . . . . . A 41 LEU CA . 30962 1 507 . 1 . 1 41 41 LEU CB C 13 42.330 0.000 . . . . . . A 41 LEU CB . 30962 1 508 . 1 . 1 41 41 LEU CG C 13 25.974 0.000 . . . . . . A 41 LEU CG . 30962 1 509 . 1 . 1 41 41 LEU CD1 C 13 27.322 0.000 . . . . . . A 41 LEU CD1 . 30962 1 510 . 1 . 1 41 41 LEU CD2 C 13 23.454 0.000 . . . . . . A 41 LEU CD2 . 30962 1 511 . 1 . 1 41 41 LEU N N 15 119.068 0.000 . . . . . . A 41 LEU N . 30962 1 512 . 1 . 1 42 42 GLY H H 1 8.467 0.000 . . . . . . A 42 GLY H . 30962 1 513 . 1 . 1 42 42 GLY HA2 H 1 3.438 0.000 . . . . . . A 42 GLY HA2 . 30962 1 514 . 1 . 1 42 42 GLY HA3 H 1 3.921 0.000 . . . . . . A 42 GLY HA3 . 30962 1 515 . 1 . 1 42 42 GLY C C 13 174.579 0.000 . . . . . . A 42 GLY C . 30962 1 516 . 1 . 1 42 42 GLY CA C 13 48.199 0.000 . . . . . . A 42 GLY CA . 30962 1 517 . 1 . 1 42 42 GLY N N 15 106.023 0.000 . . . . . . A 42 GLY N . 30962 1 518 . 1 . 1 43 43 LYS H H 1 7.084 0.000 . . . . . . A 43 LYS H . 30962 1 519 . 1 . 1 43 43 LYS HA H 1 3.963 0.000 . . . . . . A 43 LYS HA . 30962 1 520 . 1 . 1 43 43 LYS HB2 H 1 1.996 0.000 . . . . . . A 43 LYS HB2 . 30962 1 521 . 1 . 1 43 43 LYS HB3 H 1 1.972 0.000 . . . . . . A 43 LYS HB3 . 30962 1 522 . 1 . 1 43 43 LYS HG2 H 1 1.599 0.000 . . . . . . A 43 LYS HG2 . 30962 1 523 . 1 . 1 43 43 LYS HG3 H 1 1.286 0.000 . . . . . . A 43 LYS HG3 . 30962 1 524 . 1 . 1 43 43 LYS HD2 H 1 1.625 0.000 . . . . . . A 43 LYS HD2 . 30962 1 525 . 1 . 1 43 43 LYS HD3 H 1 1.610 0.000 . . . . . . A 43 LYS HD3 . 30962 1 526 . 1 . 1 43 43 LYS HE2 H 1 2.949 0.000 . . . . . . A 43 LYS HE2 . 30962 1 527 . 1 . 1 43 43 LYS HE3 H 1 2.890 0.000 . . . . . . A 43 LYS HE3 . 30962 1 528 . 1 . 1 43 43 LYS C C 13 179.362 0.000 . . . . . . A 43 LYS C . 30962 1 529 . 1 . 1 43 43 LYS CA C 13 59.798 0.000 . . . . . . A 43 LYS CA . 30962 1 530 . 1 . 1 43 43 LYS CB C 13 32.220 0.000 . . . . . . A 43 LYS CB . 30962 1 531 . 1 . 1 43 43 LYS CG C 13 24.921 0.000 . . . . . . A 43 LYS CG . 30962 1 532 . 1 . 1 43 43 LYS CD C 13 29.442 0.000 . . . . . . A 43 LYS CD . 30962 1 533 . 1 . 1 43 43 LYS CE C 13 41.925 0.000 . . . . . . A 43 LYS CE . 30962 1 534 . 1 . 1 43 43 LYS N N 15 119.892 0.000 . . . . . . A 43 LYS N . 30962 1 535 . 1 . 1 44 44 VAL H H 1 7.539 0.000 . . . . . . A 44 VAL H . 30962 1 536 . 1 . 1 44 44 VAL HA H 1 3.676 0.000 . . . . . . A 44 VAL HA . 30962 1 537 . 1 . 1 44 44 VAL HB H 1 1.663 0.000 . . . . . . A 44 VAL HB . 30962 1 538 . 1 . 1 44 44 VAL HG11 H 1 0.474 0.000 . . . . . . A 44 VAL HG11 . 30962 1 539 . 1 . 1 44 44 VAL HG12 H 1 0.474 0.000 . . . . . . A 44 VAL HG12 . 30962 1 540 . 1 . 1 44 44 VAL HG13 H 1 0.474 0.000 . . . . . . A 44 VAL HG13 . 30962 1 541 . 1 . 1 44 44 VAL HG21 H 1 0.287 0.000 . . . . . . A 44 VAL HG21 . 30962 1 542 . 1 . 1 44 44 VAL HG22 H 1 0.287 0.000 . . . . . . A 44 VAL HG22 . 30962 1 543 . 1 . 1 44 44 VAL HG23 H 1 0.287 0.000 . . . . . . A 44 VAL HG23 . 30962 1 544 . 1 . 1 44 44 VAL C C 13 177.748 0.000 . . . . . . A 44 VAL C . 30962 1 545 . 1 . 1 44 44 VAL CA C 13 66.175 0.000 . . . . . . A 44 VAL CA . 30962 1 546 . 1 . 1 44 44 VAL CB C 13 31.648 0.000 . . . . . . A 44 VAL CB . 30962 1 547 . 1 . 1 44 44 VAL CG1 C 13 20.126 0.000 . . . . . . A 44 VAL CG1 . 30962 1 548 . 1 . 1 44 44 VAL CG2 C 13 23.252 0.000 . . . . . . A 44 VAL CG2 . 30962 1 549 . 1 . 1 44 44 VAL N N 15 119.907 0.000 . . . . . . A 44 VAL N . 30962 1 550 . 1 . 1 45 45 MET H H 1 8.768 0.000 . . . . . . A 45 MET H . 30962 1 551 . 1 . 1 45 45 MET HA H 1 4.437 0.000 . . . . . . A 45 MET HA . 30962 1 552 . 1 . 1 45 45 MET HB2 H 1 1.424 0.000 . . . . . . A 45 MET HB2 . 30962 1 553 . 1 . 1 45 45 MET HB3 H 1 1.887 0.000 . . . . . . A 45 MET HB3 . 30962 1 554 . 1 . 1 45 45 MET HG2 H 1 2.345 0.000 . . . . . . A 45 MET HG2 . 30962 1 555 . 1 . 1 45 45 MET HG3 H 1 2.505 0.000 . . . . . . A 45 MET HG3 . 30962 1 556 . 1 . 1 45 45 MET HE1 H 1 1.911 0.000 . . . . . . A 45 MET HE1 . 30962 1 557 . 1 . 1 45 45 MET HE2 H 1 1.911 0.000 . . . . . . A 45 MET HE2 . 30962 1 558 . 1 . 1 45 45 MET HE3 H 1 1.911 0.000 . . . . . . A 45 MET HE3 . 30962 1 559 . 1 . 1 45 45 MET C C 13 179.743 0.000 . . . . . . A 45 MET C . 30962 1 560 . 1 . 1 45 45 MET CA C 13 56.814 0.000 . . . . . . A 45 MET CA . 30962 1 561 . 1 . 1 45 45 MET CB C 13 32.381 0.000 . . . . . . A 45 MET CB . 30962 1 562 . 1 . 1 45 45 MET CG C 13 32.866 0.000 . . . . . . A 45 MET CG . 30962 1 563 . 1 . 1 45 45 MET CE C 13 19.798 0.000 . . . . . . A 45 MET CE . 30962 1 564 . 1 . 1 45 45 MET N N 15 118.026 0.000 . . . . . . A 45 MET N . 30962 1 565 . 1 . 1 46 46 ARG H H 1 8.010 0.000 . . . . . . A 46 ARG H . 30962 1 566 . 1 . 1 46 46 ARG HA H 1 4.655 0.000 . . . . . . A 46 ARG HA . 30962 1 567 . 1 . 1 46 46 ARG HB2 H 1 1.866 0.000 . . . . . . A 46 ARG HB2 . 30962 1 568 . 1 . 1 46 46 ARG HB3 H 1 1.784 0.000 . . . . . . A 46 ARG HB3 . 30962 1 569 . 1 . 1 46 46 ARG HG2 H 1 1.854 0.000 . . . . . . A 46 ARG HG2 . 30962 1 570 . 1 . 1 46 46 ARG HG3 H 1 1.797 0.000 . . . . . . A 46 ARG HG3 . 30962 1 571 . 1 . 1 46 46 ARG HD2 H 1 3.138 0.000 . . . . . . A 46 ARG HD2 . 30962 1 572 . 1 . 1 46 46 ARG HD3 H 1 3.278 0.000 . . . . . . A 46 ARG HD3 . 30962 1 573 . 1 . 1 46 46 ARG HE H 1 7.344 0.000 . . . . . . A 46 ARG HE . 30962 1 574 . 1 . 1 46 46 ARG C C 13 181.480 0.000 . . . . . . A 46 ARG C . 30962 1 575 . 1 . 1 46 46 ARG CA C 13 59.234 0.000 . . . . . . A 46 ARG CA . 30962 1 576 . 1 . 1 46 46 ARG CB C 13 28.805 0.000 . . . . . . A 46 ARG CB . 30962 1 577 . 1 . 1 46 46 ARG CG C 13 28.825 0.000 . . . . . . A 46 ARG CG . 30962 1 578 . 1 . 1 46 46 ARG CD C 13 43.309 0.000 . . . . . . A 46 ARG CD . 30962 1 579 . 1 . 1 46 46 ARG N N 15 118.882 0.000 . . . . . . A 46 ARG N . 30962 1 580 . 1 . 1 46 46 ARG NE N 15 85.144 0.000 . . . . . . A 46 ARG NE . 30962 1 581 . 1 . 1 47 47 MET H H 1 7.790 0.000 . . . . . . A 47 MET H . 30962 1 582 . 1 . 1 47 47 MET HA H 1 4.175 0.000 . . . . . . A 47 MET HA . 30962 1 583 . 1 . 1 47 47 MET HB2 H 1 2.444 0.000 . . . . . . A 47 MET HB2 . 30962 1 584 . 1 . 1 47 47 MET HB3 H 1 2.213 0.000 . . . . . . A 47 MET HB3 . 30962 1 585 . 1 . 1 47 47 MET HG2 H 1 2.791 0.000 . . . . . . A 47 MET HG2 . 30962 1 586 . 1 . 1 47 47 MET HG3 H 1 2.604 0.000 . . . . . . A 47 MET HG3 . 30962 1 587 . 1 . 1 47 47 MET HE1 H 1 1.995 0.000 . . . . . . A 47 MET HE1 . 30962 1 588 . 1 . 1 47 47 MET HE2 H 1 1.995 0.000 . . . . . . A 47 MET HE2 . 30962 1 589 . 1 . 1 47 47 MET HE3 H 1 1.995 0.000 . . . . . . A 47 MET HE3 . 30962 1 590 . 1 . 1 47 47 MET C C 13 177.717 0.000 . . . . . . A 47 MET C . 30962 1 591 . 1 . 1 47 47 MET CA C 13 59.135 0.000 . . . . . . A 47 MET CA . 30962 1 592 . 1 . 1 47 47 MET CB C 13 32.587 0.000 . . . . . . A 47 MET CB . 30962 1 593 . 1 . 1 47 47 MET CG C 13 31.643 0.000 . . . . . . A 47 MET CG . 30962 1 594 . 1 . 1 47 47 MET CE C 13 16.646 0.000 . . . . . . A 47 MET CE . 30962 1 595 . 1 . 1 47 47 MET N N 15 122.675 0.000 . . . . . . A 47 MET N . 30962 1 596 . 1 . 1 48 48 LEU H H 1 7.481 0.000 . . . . . . A 48 LEU H . 30962 1 597 . 1 . 1 48 48 LEU HA H 1 4.362 0.000 . . . . . . A 48 LEU HA . 30962 1 598 . 1 . 1 48 48 LEU HB2 H 1 1.962 0.000 . . . . . . A 48 LEU HB2 . 30962 1 599 . 1 . 1 48 48 LEU HB3 H 1 1.898 0.000 . . . . . . A 48 LEU HB3 . 30962 1 600 . 1 . 1 48 48 LEU HG H 1 1.891 0.000 . . . . . . A 48 LEU HG . 30962 1 601 . 1 . 1 48 48 LEU HD11 H 1 0.857 0.000 . . . . . . A 48 LEU HD11 . 30962 1 602 . 1 . 1 48 48 LEU HD12 H 1 0.857 0.000 . . . . . . A 48 LEU HD12 . 30962 1 603 . 1 . 1 48 48 LEU HD13 H 1 0.857 0.000 . . . . . . A 48 LEU HD13 . 30962 1 604 . 1 . 1 48 48 LEU HD21 H 1 0.791 0.000 . . . . . . A 48 LEU HD21 . 30962 1 605 . 1 . 1 48 48 LEU HD22 H 1 0.791 0.000 . . . . . . A 48 LEU HD22 . 30962 1 606 . 1 . 1 48 48 LEU HD23 H 1 0.791 0.000 . . . . . . A 48 LEU HD23 . 30962 1 607 . 1 . 1 48 48 LEU C C 13 177.184 0.000 . . . . . . A 48 LEU C . 30962 1 608 . 1 . 1 48 48 LEU CA C 13 54.892 0.000 . . . . . . A 48 LEU CA . 30962 1 609 . 1 . 1 48 48 LEU CB C 13 41.784 0.000 . . . . . . A 48 LEU CB . 30962 1 610 . 1 . 1 48 48 LEU CG C 13 27.078 0.000 . . . . . . A 48 LEU CG . 30962 1 611 . 1 . 1 48 48 LEU CD1 C 13 25.513 0.000 . . . . . . A 48 LEU CD1 . 30962 1 612 . 1 . 1 48 48 LEU CD2 C 13 24.067 0.000 . . . . . . A 48 LEU CD2 . 30962 1 613 . 1 . 1 48 48 LEU N N 15 117.940 0.000 . . . . . . A 48 LEU N . 30962 1 614 . 1 . 1 49 49 GLY H H 1 7.883 0.000 . . . . . . A 49 GLY H . 30962 1 615 . 1 . 1 49 49 GLY HA2 H 1 4.198 0.000 . . . . . . A 49 GLY HA2 . 30962 1 616 . 1 . 1 49 49 GLY HA3 H 1 3.785 0.000 . . . . . . A 49 GLY HA3 . 30962 1 617 . 1 . 1 49 49 GLY C C 13 181.221 0.000 . . . . . . A 49 GLY C . 30962 1 618 . 1 . 1 49 49 GLY CA C 13 45.452 0.000 . . . . . . A 49 GLY CA . 30962 1 619 . 1 . 1 49 49 GLY N N 15 107.573 0.000 . . . . . . A 49 GLY N . 30962 1 620 . 1 . 1 50 50 GLN H H 1 7.808 0.000 . . . . . . A 50 GLN H . 30962 1 621 . 1 . 1 50 50 GLN HA H 1 4.395 0.000 . . . . . . A 50 GLN HA . 30962 1 622 . 1 . 1 50 50 GLN HB2 H 1 1.513 0.000 . . . . . . A 50 GLN HB2 . 30962 1 623 . 1 . 1 50 50 GLN HB3 H 1 2.264 0.000 . . . . . . A 50 GLN HB3 . 30962 1 624 . 1 . 1 50 50 GLN HG2 H 1 2.185 0.000 . . . . . . A 50 GLN HG2 . 30962 1 625 . 1 . 1 50 50 GLN HG3 H 1 2.261 0.000 . . . . . . A 50 GLN HG3 . 30962 1 626 . 1 . 1 50 50 GLN HE21 H 1 7.203 0.000 . . . . . . A 50 GLN HE21 . 30962 1 627 . 1 . 1 50 50 GLN HE22 H 1 6.819 0.000 . . . . . . A 50 GLN HE22 . 30962 1 628 . 1 . 1 50 50 GLN C C 13 174.244 0.000 . . . . . . A 50 GLN C . 30962 1 629 . 1 . 1 50 50 GLN CA C 13 53.245 0.000 . . . . . . A 50 GLN CA . 30962 1 630 . 1 . 1 50 50 GLN CB C 13 30.025 0.000 . . . . . . A 50 GLN CB . 30962 1 631 . 1 . 1 50 50 GLN CG C 13 32.173 0.000 . . . . . . A 50 GLN CG . 30962 1 632 . 1 . 1 50 50 GLN N N 15 117.441 0.000 . . . . . . A 50 GLN N . 30962 1 633 . 1 . 1 50 50 GLN NE2 N 15 112.329 0.000 . . . . . . A 50 GLN NE2 . 30962 1 634 . 1 . 1 51 51 ASN H H 1 9.019 0.000 . . . . . . A 51 ASN H . 30962 1 635 . 1 . 1 51 51 ASN HA H 1 5.111 0.000 . . . . . . A 51 ASN HA . 30962 1 636 . 1 . 1 51 51 ASN HB2 H 1 2.760 0.000 . . . . . . A 51 ASN HB2 . 30962 1 637 . 1 . 1 51 51 ASN HB3 H 1 2.479 0.000 . . . . . . A 51 ASN HB3 . 30962 1 638 . 1 . 1 51 51 ASN HD21 H 1 7.607 0.000 . . . . . . A 51 ASN HD21 . 30962 1 639 . 1 . 1 51 51 ASN HD22 H 1 6.735 0.000 . . . . . . A 51 ASN HD22 . 30962 1 640 . 1 . 1 51 51 ASN CA C 13 51.148 0.000 . . . . . . A 51 ASN CA . 30962 1 641 . 1 . 1 51 51 ASN CB C 13 39.178 0.000 . . . . . . A 51 ASN CB . 30962 1 642 . 1 . 1 51 51 ASN N N 15 116.428 0.000 . . . . . . A 51 ASN N . 30962 1 643 . 1 . 1 51 51 ASN ND2 N 15 112.696 0.000 . . . . . . A 51 ASN ND2 . 30962 1 644 . 1 . 1 52 52 PRO HA H 1 4.874 0.000 . . . . . . A 52 PRO HA . 30962 1 645 . 1 . 1 52 52 PRO HB2 H 1 1.979 0.000 . . . . . . A 52 PRO HB2 . 30962 1 646 . 1 . 1 52 52 PRO HB3 H 1 2.285 0.000 . . . . . . A 52 PRO HB3 . 30962 1 647 . 1 . 1 52 52 PRO HG2 H 1 1.622 0.000 . . . . . . A 52 PRO HG2 . 30962 1 648 . 1 . 1 52 52 PRO HG3 H 1 1.832 0.000 . . . . . . A 52 PRO HG3 . 30962 1 649 . 1 . 1 52 52 PRO HD2 H 1 3.511 0.000 . . . . . . A 52 PRO HD2 . 30962 1 650 . 1 . 1 52 52 PRO HD3 H 1 3.142 0.000 . . . . . . A 52 PRO HD3 . 30962 1 651 . 1 . 1 52 52 PRO C C 13 177.641 0.000 . . . . . . A 52 PRO C . 30962 1 652 . 1 . 1 52 52 PRO CA C 13 61.951 0.000 . . . . . . A 52 PRO CA . 30962 1 653 . 1 . 1 52 52 PRO CB C 13 31.987 0.000 . . . . . . A 52 PRO CB . 30962 1 654 . 1 . 1 52 52 PRO CG C 13 27.392 0.000 . . . . . . A 52 PRO CG . 30962 1 655 . 1 . 1 52 52 PRO CD C 13 49.556 0.000 . . . . . . A 52 PRO CD . 30962 1 656 . 1 . 1 53 53 THR H H 1 9.052 0.000 . . . . . . A 53 THR H . 30962 1 657 . 1 . 1 53 53 THR HA H 1 4.628 0.000 . . . . . . A 53 THR HA . 30962 1 658 . 1 . 1 53 53 THR HB H 1 4.809 0.000 . . . . . . A 53 THR HB . 30962 1 659 . 1 . 1 53 53 THR HG21 H 1 1.366 0.000 . . . . . . A 53 THR HG21 . 30962 1 660 . 1 . 1 53 53 THR HG22 H 1 1.366 0.000 . . . . . . A 53 THR HG22 . 30962 1 661 . 1 . 1 53 53 THR HG23 H 1 1.366 0.000 . . . . . . A 53 THR HG23 . 30962 1 662 . 1 . 1 53 53 THR CA C 13 59.752 0.000 . . . . . . A 53 THR CA . 30962 1 663 . 1 . 1 53 53 THR CB C 13 68.200 0.000 . . . . . . A 53 THR CB . 30962 1 664 . 1 . 1 53 53 THR CG2 C 13 22.055 0.000 . . . . . . A 53 THR CG2 . 30962 1 665 . 1 . 1 53 53 THR N N 15 114.298 0.000 . . . . . . A 53 THR N . 30962 1 666 . 1 . 1 54 54 PRO HA H 1 4.154 0.000 . . . . . . A 54 PRO HA . 30962 1 667 . 1 . 1 54 54 PRO HB2 H 1 2.434 0.000 . . . . . . A 54 PRO HB2 . 30962 1 668 . 1 . 1 54 54 PRO HB3 H 1 1.902 0.000 . . . . . . A 54 PRO HB3 . 30962 1 669 . 1 . 1 54 54 PRO HG2 H 1 1.996 0.000 . . . . . . A 54 PRO HG2 . 30962 1 670 . 1 . 1 54 54 PRO HG3 H 1 2.226 0.000 . . . . . . A 54 PRO HG3 . 30962 1 671 . 1 . 1 54 54 PRO HD2 H 1 3.949 0.000 . . . . . . A 54 PRO HD2 . 30962 1 672 . 1 . 1 54 54 PRO HD3 H 1 3.919 0.000 . . . . . . A 54 PRO HD3 . 30962 1 673 . 1 . 1 54 54 PRO C C 13 179.652 0.000 . . . . . . A 54 PRO C . 30962 1 674 . 1 . 1 54 54 PRO CA C 13 65.834 0.000 . . . . . . A 54 PRO CA . 30962 1 675 . 1 . 1 54 54 PRO CB C 13 31.724 0.000 . . . . . . A 54 PRO CB . 30962 1 676 . 1 . 1 54 54 PRO CG C 13 28.182 0.000 . . . . . . A 54 PRO CG . 30962 1 677 . 1 . 1 54 54 PRO CD C 13 50.234 0.000 . . . . . . A 54 PRO CD . 30962 1 678 . 1 . 1 55 55 GLU H H 1 8.728 0.000 . . . . . . A 55 GLU H . 30962 1 679 . 1 . 1 55 55 GLU HA H 1 4.001 0.000 . . . . . . A 55 GLU HA . 30962 1 680 . 1 . 1 55 55 GLU HB2 H 1 1.946 0.000 . . . . . . A 55 GLU HB2 . 30962 1 681 . 1 . 1 55 55 GLU HB3 H 1 2.103 0.000 . . . . . . A 55 GLU HB3 . 30962 1 682 . 1 . 1 55 55 GLU HG2 H 1 2.224 0.000 . . . . . . A 55 GLU HG2 . 30962 1 683 . 1 . 1 55 55 GLU HG3 H 1 2.508 0.000 . . . . . . A 55 GLU HG3 . 30962 1 684 . 1 . 1 55 55 GLU C C 13 179.454 0.000 . . . . . . A 55 GLU C . 30962 1 685 . 1 . 1 55 55 GLU CA C 13 60.699 0.000 . . . . . . A 55 GLU CA . 30962 1 686 . 1 . 1 55 55 GLU CB C 13 28.551 0.000 . . . . . . A 55 GLU CB . 30962 1 687 . 1 . 1 55 55 GLU CG C 13 37.430 0.000 . . . . . . A 55 GLU CG . 30962 1 688 . 1 . 1 55 55 GLU N N 15 117.713 0.000 . . . . . . A 55 GLU N . 30962 1 689 . 1 . 1 56 56 GLU H H 1 7.850 0.000 . . . . . . A 56 GLU H . 30962 1 690 . 1 . 1 56 56 GLU HA H 1 4.009 0.000 . . . . . . A 56 GLU HA . 30962 1 691 . 1 . 1 56 56 GLU HB2 H 1 2.245 0.000 . . . . . . A 56 GLU HB2 . 30962 1 692 . 1 . 1 56 56 GLU HB3 H 1 1.980 0.000 . . . . . . A 56 GLU HB3 . 30962 1 693 . 1 . 1 56 56 GLU HG2 H 1 2.438 0.000 . . . . . . A 56 GLU HG2 . 30962 1 694 . 1 . 1 56 56 GLU HG3 H 1 2.005 0.000 . . . . . . A 56 GLU HG3 . 30962 1 695 . 1 . 1 56 56 GLU C C 13 178.982 0.000 . . . . . . A 56 GLU C . 30962 1 696 . 1 . 1 56 56 GLU CA C 13 59.257 0.000 . . . . . . A 56 GLU CA . 30962 1 697 . 1 . 1 56 56 GLU CB C 13 29.800 0.000 . . . . . . A 56 GLU CB . 30962 1 698 . 1 . 1 56 56 GLU CG C 13 37.248 0.000 . . . . . . A 56 GLU CG . 30962 1 699 . 1 . 1 56 56 GLU N N 15 122.126 0.000 . . . . . . A 56 GLU N . 30962 1 700 . 1 . 1 57 57 LEU H H 1 8.041 0.000 . . . . . . A 57 LEU H . 30962 1 701 . 1 . 1 57 57 LEU HA H 1 3.895 0.000 . . . . . . A 57 LEU HA . 30962 1 702 . 1 . 1 57 57 LEU HB2 H 1 2.071 0.000 . . . . . . A 57 LEU HB2 . 30962 1 703 . 1 . 1 57 57 LEU HB3 H 1 1.042 0.000 . . . . . . A 57 LEU HB3 . 30962 1 704 . 1 . 1 57 57 LEU HG H 1 1.680 0.000 . . . . . . A 57 LEU HG . 30962 1 705 . 1 . 1 57 57 LEU HD11 H 1 0.638 0.000 . . . . . . A 57 LEU HD11 . 30962 1 706 . 1 . 1 57 57 LEU HD12 H 1 0.638 0.000 . . . . . . A 57 LEU HD12 . 30962 1 707 . 1 . 1 57 57 LEU HD13 H 1 0.638 0.000 . . . . . . A 57 LEU HD13 . 30962 1 708 . 1 . 1 57 57 LEU HD21 H 1 0.831 0.000 . . . . . . A 57 LEU HD21 . 30962 1 709 . 1 . 1 57 57 LEU HD22 H 1 0.831 0.000 . . . . . . A 57 LEU HD22 . 30962 1 710 . 1 . 1 57 57 LEU HD23 H 1 0.831 0.000 . . . . . . A 57 LEU HD23 . 30962 1 711 . 1 . 1 57 57 LEU C C 13 178.418 0.000 . . . . . . A 57 LEU C . 30962 1 712 . 1 . 1 57 57 LEU CA C 13 57.641 0.000 . . . . . . A 57 LEU CA . 30962 1 713 . 1 . 1 57 57 LEU CB C 13 42.366 0.000 . . . . . . A 57 LEU CB . 30962 1 714 . 1 . 1 57 57 LEU CG C 13 26.601 0.000 . . . . . . A 57 LEU CG . 30962 1 715 . 1 . 1 57 57 LEU CD1 C 13 23.042 0.000 . . . . . . A 57 LEU CD1 . 30962 1 716 . 1 . 1 57 57 LEU CD2 C 13 25.847 0.000 . . . . . . A 57 LEU CD2 . 30962 1 717 . 1 . 1 57 57 LEU N N 15 116.836 0.000 . . . . . . A 57 LEU N . 30962 1 718 . 1 . 1 58 58 GLN H H 1 7.779 0.000 . . . . . . A 58 GLN H . 30962 1 719 . 1 . 1 58 58 GLN HA H 1 3.671 0.000 . . . . . . A 58 GLN HA . 30962 1 720 . 1 . 1 58 58 GLN HB2 H 1 2.138 0.000 . . . . . . A 58 GLN HB2 . 30962 1 721 . 1 . 1 58 58 GLN HB3 H 1 2.111 0.000 . . . . . . A 58 GLN HB3 . 30962 1 722 . 1 . 1 58 58 GLN HG2 H 1 2.357 0.000 . . . . . . A 58 GLN HG2 . 30962 1 723 . 1 . 1 58 58 GLN HG3 H 1 2.418 0.000 . . . . . . A 58 GLN HG3 . 30962 1 724 . 1 . 1 58 58 GLN HE21 H 1 8.010 0.000 . . . . . . A 58 GLN HE21 . 30962 1 725 . 1 . 1 58 58 GLN HE22 H 1 6.922 0.000 . . . . . . A 58 GLN HE22 . 30962 1 726 . 1 . 1 58 58 GLN C C 13 177.306 0.000 . . . . . . A 58 GLN C . 30962 1 727 . 1 . 1 58 58 GLN CA C 13 57.986 0.000 . . . . . . A 58 GLN CA . 30962 1 728 . 1 . 1 58 58 GLN CB C 13 28.481 0.000 . . . . . . A 58 GLN CB . 30962 1 729 . 1 . 1 58 58 GLN CG C 13 33.513 0.000 . . . . . . A 58 GLN CG . 30962 1 730 . 1 . 1 58 58 GLN N N 15 117.452 0.000 . . . . . . A 58 GLN N . 30962 1 731 . 1 . 1 58 58 GLN NE2 N 15 116.530 0.000 . . . . . . A 58 GLN NE2 . 30962 1 732 . 1 . 1 59 59 GLU H H 1 8.093 0.000 . . . . . . A 59 GLU H . 30962 1 733 . 1 . 1 59 59 GLU HA H 1 4.012 0.000 . . . . . . A 59 GLU HA . 30962 1 734 . 1 . 1 59 59 GLU HB2 H 1 2.207 0.000 . . . . . . A 59 GLU HB2 . 30962 1 735 . 1 . 1 59 59 GLU HB3 H 1 2.008 0.000 . . . . . . A 59 GLU HB3 . 30962 1 736 . 1 . 1 59 59 GLU HG2 H 1 2.281 0.000 . . . . . . A 59 GLU HG2 . 30962 1 737 . 1 . 1 59 59 GLU HG3 H 1 2.495 0.000 . . . . . . A 59 GLU HG3 . 30962 1 738 . 1 . 1 59 59 GLU C C 13 179.728 0.000 . . . . . . A 59 GLU C . 30962 1 739 . 1 . 1 59 59 GLU CA C 13 59.535 0.000 . . . . . . A 59 GLU CA . 30962 1 740 . 1 . 1 59 59 GLU CB C 13 29.406 0.000 . . . . . . A 59 GLU CB . 30962 1 741 . 1 . 1 59 59 GLU CG C 13 36.416 0.000 . . . . . . A 59 GLU CG . 30962 1 742 . 1 . 1 59 59 GLU N N 15 119.793 0.000 . . . . . . A 59 GLU N . 30962 1 743 . 1 . 1 60 60 MET H H 1 8.223 0.000 . . . . . . A 60 MET H . 30962 1 744 . 1 . 1 60 60 MET HA H 1 3.496 0.000 . . . . . . A 60 MET HA . 30962 1 745 . 1 . 1 60 60 MET HB2 H 1 2.118 0.000 . . . . . . A 60 MET HB2 . 30962 1 746 . 1 . 1 60 60 MET HB3 H 1 1.362 0.000 . . . . . . A 60 MET HB3 . 30962 1 747 . 1 . 1 60 60 MET HG2 H 1 0.732 0.000 . . . . . . A 60 MET HG2 . 30962 1 748 . 1 . 1 60 60 MET HG3 H 1 2.640 0.000 . . . . . . A 60 MET HG3 . 30962 1 749 . 1 . 1 60 60 MET HE1 H 1 1.515 0.000 . . . . . . A 60 MET HE1 . 30962 1 750 . 1 . 1 60 60 MET HE2 H 1 1.515 0.000 . . . . . . A 60 MET HE2 . 30962 1 751 . 1 . 1 60 60 MET HE3 H 1 1.515 0.000 . . . . . . A 60 MET HE3 . 30962 1 752 . 1 . 1 60 60 MET C C 13 177.199 0.000 . . . . . . A 60 MET C . 30962 1 753 . 1 . 1 60 60 MET CA C 13 60.802 0.000 . . . . . . A 60 MET CA . 30962 1 754 . 1 . 1 60 60 MET CB C 13 33.822 0.000 . . . . . . A 60 MET CB . 30962 1 755 . 1 . 1 60 60 MET CG C 13 33.487 0.000 . . . . . . A 60 MET CG . 30962 1 756 . 1 . 1 60 60 MET CE C 13 17.520 0.000 . . . . . . A 60 MET CE . 30962 1 757 . 1 . 1 60 60 MET N N 15 119.539 0.000 . . . . . . A 60 MET N . 30962 1 758 . 1 . 1 61 61 ILE H H 1 7.504 0.000 . . . . . . A 61 ILE H . 30962 1 759 . 1 . 1 61 61 ILE HA H 1 3.676 0.000 . . . . . . A 61 ILE HA . 30962 1 760 . 1 . 1 61 61 ILE HB H 1 2.075 0.000 . . . . . . A 61 ILE HB . 30962 1 761 . 1 . 1 61 61 ILE HG12 H 1 1.371 0.000 . . . . . . A 61 ILE HG12 . 30962 1 762 . 1 . 1 61 61 ILE HG13 H 1 1.537 0.000 . . . . . . A 61 ILE HG13 . 30962 1 763 . 1 . 1 61 61 ILE HG21 H 1 0.714 0.000 . . . . . . A 61 ILE HG21 . 30962 1 764 . 1 . 1 61 61 ILE HG22 H 1 0.714 0.000 . . . . . . A 61 ILE HG22 . 30962 1 765 . 1 . 1 61 61 ILE HG23 H 1 0.714 0.000 . . . . . . A 61 ILE HG23 . 30962 1 766 . 1 . 1 61 61 ILE HD11 H 1 0.560 0.000 . . . . . . A 61 ILE HD11 . 30962 1 767 . 1 . 1 61 61 ILE HD12 H 1 0.560 0.000 . . . . . . A 61 ILE HD12 . 30962 1 768 . 1 . 1 61 61 ILE HD13 H 1 0.560 0.000 . . . . . . A 61 ILE HD13 . 30962 1 769 . 1 . 1 61 61 ILE C C 13 178.205 0.000 . . . . . . A 61 ILE C . 30962 1 770 . 1 . 1 61 61 ILE CA C 13 62.428 0.000 . . . . . . A 61 ILE CA . 30962 1 771 . 1 . 1 61 61 ILE CB C 13 36.642 0.000 . . . . . . A 61 ILE CB . 30962 1 772 . 1 . 1 61 61 ILE CG1 C 13 27.359 0.000 . . . . . . A 61 ILE CG1 . 30962 1 773 . 1 . 1 61 61 ILE CG2 C 13 16.119 0.000 . . . . . . A 61 ILE CG2 . 30962 1 774 . 1 . 1 61 61 ILE CD1 C 13 10.341 0.000 . . . . . . A 61 ILE CD1 . 30962 1 775 . 1 . 1 61 61 ILE N N 15 118.057 0.000 . . . . . . A 61 ILE N . 30962 1 776 . 1 . 1 62 62 ASP H H 1 8.777 0.000 . . . . . . A 62 ASP H . 30962 1 777 . 1 . 1 62 62 ASP HA H 1 4.259 0.000 . . . . . . A 62 ASP HA . 30962 1 778 . 1 . 1 62 62 ASP HB2 H 1 2.719 0.000 . . . . . . A 62 ASP HB2 . 30962 1 779 . 1 . 1 62 62 ASP HB3 H 1 2.655 0.000 . . . . . . A 62 ASP HB3 . 30962 1 780 . 1 . 1 62 62 ASP C C 13 177.915 0.000 . . . . . . A 62 ASP C . 30962 1 781 . 1 . 1 62 62 ASP CA C 13 57.393 0.000 . . . . . . A 62 ASP CA . 30962 1 782 . 1 . 1 62 62 ASP CB C 13 39.959 0.000 . . . . . . A 62 ASP CB . 30962 1 783 . 1 . 1 62 62 ASP N N 15 119.524 0.000 . . . . . . A 62 ASP N . 30962 1 784 . 1 . 1 63 63 GLU H H 1 7.862 0.000 . . . . . . A 63 GLU H . 30962 1 785 . 1 . 1 63 63 GLU HA H 1 3.954 0.000 . . . . . . A 63 GLU HA . 30962 1 786 . 1 . 1 63 63 GLU HB2 H 1 2.317 0.000 . . . . . . A 63 GLU HB2 . 30962 1 787 . 1 . 1 63 63 GLU HB3 H 1 2.524 0.000 . . . . . . A 63 GLU HB3 . 30962 1 788 . 1 . 1 63 63 GLU HG2 H 1 2.885 0.000 . . . . . . A 63 GLU HG2 . 30962 1 789 . 1 . 1 63 63 GLU HG3 H 1 2.285 0.000 . . . . . . A 63 GLU HG3 . 30962 1 790 . 1 . 1 63 63 GLU C C 13 177.397 0.000 . . . . . . A 63 GLU C . 30962 1 791 . 1 . 1 63 63 GLU CA C 13 58.996 0.000 . . . . . . A 63 GLU CA . 30962 1 792 . 1 . 1 63 63 GLU CB C 13 31.517 0.000 . . . . . . A 63 GLU CB . 30962 1 793 . 1 . 1 63 63 GLU CG C 13 36.953 0.000 . . . . . . A 63 GLU CG . 30962 1 794 . 1 . 1 63 63 GLU N N 15 118.150 0.000 . . . . . . A 63 GLU N . 30962 1 795 . 1 . 1 64 64 VAL H H 1 7.116 0.000 . . . . . . A 64 VAL H . 30962 1 796 . 1 . 1 64 64 VAL HA H 1 4.472 0.000 . . . . . . A 64 VAL HA . 30962 1 797 . 1 . 1 64 64 VAL HB H 1 2.230 0.000 . . . . . . A 64 VAL HB . 30962 1 798 . 1 . 1 64 64 VAL HG11 H 1 0.825 0.000 . . . . . . A 64 VAL HG11 . 30962 1 799 . 1 . 1 64 64 VAL HG12 H 1 0.825 0.000 . . . . . . A 64 VAL HG12 . 30962 1 800 . 1 . 1 64 64 VAL HG13 H 1 0.825 0.000 . . . . . . A 64 VAL HG13 . 30962 1 801 . 1 . 1 64 64 VAL HG21 H 1 0.996 0.000 . . . . . . A 64 VAL HG21 . 30962 1 802 . 1 . 1 64 64 VAL HG22 H 1 0.996 0.000 . . . . . . A 64 VAL HG22 . 30962 1 803 . 1 . 1 64 64 VAL HG23 H 1 0.996 0.000 . . . . . . A 64 VAL HG23 . 30962 1 804 . 1 . 1 64 64 VAL C C 13 175.600 0.000 . . . . . . A 64 VAL C . 30962 1 805 . 1 . 1 64 64 VAL CA C 13 60.323 0.000 . . . . . . A 64 VAL CA . 30962 1 806 . 1 . 1 64 64 VAL CB C 13 32.830 0.000 . . . . . . A 64 VAL CB . 30962 1 807 . 1 . 1 64 64 VAL CG1 C 13 22.337 0.000 . . . . . . A 64 VAL CG1 . 30962 1 808 . 1 . 1 64 64 VAL CG2 C 13 21.424 0.000 . . . . . . A 64 VAL CG2 . 30962 1 809 . 1 . 1 64 64 VAL N N 15 109.486 0.000 . . . . . . A 64 VAL N . 30962 1 810 . 1 . 1 65 65 ASP H H 1 7.943 0.000 . . . . . . A 65 ASP H . 30962 1 811 . 1 . 1 65 65 ASP HA H 1 4.535 0.000 . . . . . . A 65 ASP HA . 30962 1 812 . 1 . 1 65 65 ASP HB2 H 1 2.703 0.000 . . . . . . A 65 ASP HB2 . 30962 1 813 . 1 . 1 65 65 ASP HB3 H 1 2.408 0.000 . . . . . . A 65 ASP HB3 . 30962 1 814 . 1 . 1 65 65 ASP C C 13 176.194 0.000 . . . . . . A 65 ASP C . 30962 1 815 . 1 . 1 65 65 ASP CA C 13 53.116 0.000 . . . . . . A 65 ASP CA . 30962 1 816 . 1 . 1 65 65 ASP CB C 13 40.584 0.000 . . . . . . A 65 ASP CB . 30962 1 817 . 1 . 1 65 65 ASP N N 15 122.887 0.000 . . . . . . A 65 ASP N . 30962 1 818 . 1 . 1 66 66 GLU H H 1 7.987 0.000 . . . . . . A 66 GLU H . 30962 1 819 . 1 . 1 66 66 GLU HA H 1 4.098 0.000 . . . . . . A 66 GLU HA . 30962 1 820 . 1 . 1 66 66 GLU HB2 H 1 2.147 0.000 . . . . . . A 66 GLU HB2 . 30962 1 821 . 1 . 1 66 66 GLU HB3 H 1 2.082 0.000 . . . . . . A 66 GLU HB3 . 30962 1 822 . 1 . 1 66 66 GLU HG2 H 1 2.275 0.000 . . . . . . A 66 GLU HG2 . 30962 1 823 . 1 . 1 66 66 GLU HG3 H 1 2.375 0.000 . . . . . . A 66 GLU HG3 . 30962 1 824 . 1 . 1 66 66 GLU C C 13 177.199 0.000 . . . . . . A 66 GLU C . 30962 1 825 . 1 . 1 66 66 GLU CA C 13 58.736 0.000 . . . . . . A 66 GLU CA . 30962 1 826 . 1 . 1 66 66 GLU CB C 13 30.825 0.000 . . . . . . A 66 GLU CB . 30962 1 827 . 1 . 1 66 66 GLU CG C 13 35.929 0.000 . . . . . . A 66 GLU CG . 30962 1 828 . 1 . 1 66 66 GLU N N 15 128.584 0.000 . . . . . . A 66 GLU N . 30962 1 829 . 1 . 1 67 67 ASP H H 1 8.106 0.000 . . . . . . A 67 ASP H . 30962 1 830 . 1 . 1 67 67 ASP HA H 1 4.676 0.000 . . . . . . A 67 ASP HA . 30962 1 831 . 1 . 1 67 67 ASP HB2 H 1 3.111 0.000 . . . . . . A 67 ASP HB2 . 30962 1 832 . 1 . 1 67 67 ASP HB3 H 1 2.749 0.000 . . . . . . A 67 ASP HB3 . 30962 1 833 . 1 . 1 67 67 ASP C C 13 177.732 0.000 . . . . . . A 67 ASP C . 30962 1 834 . 1 . 1 67 67 ASP CA C 13 52.593 0.000 . . . . . . A 67 ASP CA . 30962 1 835 . 1 . 1 67 67 ASP CB C 13 40.136 0.000 . . . . . . A 67 ASP CB . 30962 1 836 . 1 . 1 67 67 ASP N N 15 114.438 0.000 . . . . . . A 67 ASP N . 30962 1 837 . 1 . 1 68 68 GLY H H 1 7.795 0.000 . . . . . . A 68 GLY H . 30962 1 838 . 1 . 1 68 68 GLY HA2 H 1 3.885 0.000 . . . . . . A 68 GLY HA2 . 30962 1 839 . 1 . 1 68 68 GLY HA3 H 1 3.755 0.000 . . . . . . A 68 GLY HA3 . 30962 1 840 . 1 . 1 68 68 GLY C C 13 175.204 0.000 . . . . . . A 68 GLY C . 30962 1 841 . 1 . 1 68 68 GLY CA C 13 46.982 0.000 . . . . . . A 68 GLY CA . 30962 1 842 . 1 . 1 68 68 GLY N N 15 109.361 0.000 . . . . . . A 68 GLY N . 30962 1 843 . 1 . 1 69 69 SER H H 1 8.585 0.000 . . . . . . A 69 SER H . 30962 1 844 . 1 . 1 69 69 SER HA H 1 4.186 0.000 . . . . . . A 69 SER HA . 30962 1 845 . 1 . 1 69 69 SER HB2 H 1 4.021 0.000 . . . . . . A 69 SER HB2 . 30962 1 846 . 1 . 1 69 69 SER HB3 H 1 4.205 0.000 . . . . . . A 69 SER HB3 . 30962 1 847 . 1 . 1 69 69 SER C C 13 175.585 0.000 . . . . . . A 69 SER C . 30962 1 848 . 1 . 1 69 69 SER CA C 13 60.116 0.000 . . . . . . A 69 SER CA . 30962 1 849 . 1 . 1 69 69 SER CB C 13 64.190 0.000 . . . . . . A 69 SER CB . 30962 1 850 . 1 . 1 69 69 SER N N 15 117.384 0.000 . . . . . . A 69 SER N . 30962 1 851 . 1 . 1 70 70 GLY H H 1 10.777 0.000 . . . . . . A 70 GLY H . 30962 1 852 . 1 . 1 70 70 GLY HA2 H 1 3.503 0.000 . . . . . . A 70 GLY HA2 . 30962 1 853 . 1 . 1 70 70 GLY HA3 H 1 4.331 0.000 . . . . . . A 70 GLY HA3 . 30962 1 854 . 1 . 1 70 70 GLY C C 13 172.568 0.000 . . . . . . A 70 GLY C . 30962 1 855 . 1 . 1 70 70 GLY CA C 13 45.189 0.000 . . . . . . A 70 GLY CA . 30962 1 856 . 1 . 1 70 70 GLY N N 15 116.716 0.000 . . . . . . A 70 GLY N . 30962 1 857 . 1 . 1 71 71 THR H H 1 7.490 0.000 . . . . . . A 71 THR H . 30962 1 858 . 1 . 1 71 71 THR HA H 1 4.830 0.000 . . . . . . A 71 THR HA . 30962 1 859 . 1 . 1 71 71 THR HB H 1 3.828 0.000 . . . . . . A 71 THR HB . 30962 1 860 . 1 . 1 71 71 THR HG21 H 1 1.111 0.000 . . . . . . A 71 THR HG21 . 30962 1 861 . 1 . 1 71 71 THR HG22 H 1 1.111 0.000 . . . . . . A 71 THR HG22 . 30962 1 862 . 1 . 1 71 71 THR HG23 H 1 1.111 0.000 . . . . . . A 71 THR HG23 . 30962 1 863 . 1 . 1 71 71 THR C C 13 173.513 0.000 . . . . . . A 71 THR C . 30962 1 864 . 1 . 1 71 71 THR CA C 13 58.365 0.000 . . . . . . A 71 THR CA . 30962 1 865 . 1 . 1 71 71 THR CB C 13 73.639 0.000 . . . . . . A 71 THR CB . 30962 1 866 . 1 . 1 71 71 THR CG2 C 13 22.625 0.000 . . . . . . A 71 THR CG2 . 30962 1 867 . 1 . 1 71 71 THR N N 15 106.769 0.000 . . . . . . A 71 THR N . 30962 1 868 . 1 . 1 72 72 VAL H H 1 9.482 0.000 . . . . . . A 72 VAL H . 30962 1 869 . 1 . 1 72 72 VAL HA H 1 5.026 0.000 . . . . . . A 72 VAL HA . 30962 1 870 . 1 . 1 72 72 VAL HB H 1 2.121 0.000 . . . . . . A 72 VAL HB . 30962 1 871 . 1 . 1 72 72 VAL HG11 H 1 1.092 0.000 . . . . . . A 72 VAL HG11 . 30962 1 872 . 1 . 1 72 72 VAL HG12 H 1 1.092 0.000 . . . . . . A 72 VAL HG12 . 30962 1 873 . 1 . 1 72 72 VAL HG13 H 1 1.092 0.000 . . . . . . A 72 VAL HG13 . 30962 1 874 . 1 . 1 72 72 VAL HG21 H 1 0.869 0.000 . . . . . . A 72 VAL HG21 . 30962 1 875 . 1 . 1 72 72 VAL HG22 H 1 0.869 0.000 . . . . . . A 72 VAL HG22 . 30962 1 876 . 1 . 1 72 72 VAL HG23 H 1 0.869 0.000 . . . . . . A 72 VAL HG23 . 30962 1 877 . 1 . 1 72 72 VAL C C 13 174.869 0.000 . . . . . . A 72 VAL C . 30962 1 878 . 1 . 1 72 72 VAL CA C 13 61.619 0.000 . . . . . . A 72 VAL CA . 30962 1 879 . 1 . 1 72 72 VAL CB C 13 33.606 0.000 . . . . . . A 72 VAL CB . 30962 1 880 . 1 . 1 72 72 VAL CG1 C 13 20.868 0.000 . . . . . . A 72 VAL CG1 . 30962 1 881 . 1 . 1 72 72 VAL CG2 C 13 22.964 0.000 . . . . . . A 72 VAL CG2 . 30962 1 882 . 1 . 1 72 72 VAL N N 15 126.822 0.000 . . . . . . A 72 VAL N . 30962 1 883 . 1 . 1 73 73 ASP H H 1 8.823 0.000 . . . . . . A 73 ASP H . 30962 1 884 . 1 . 1 73 73 ASP HA H 1 5.095 0.000 . . . . . . A 73 ASP HA . 30962 1 885 . 1 . 1 73 73 ASP HB2 H 1 3.290 0.000 . . . . . . A 73 ASP HB2 . 30962 1 886 . 1 . 1 73 73 ASP HB3 H 1 2.699 0.000 . . . . . . A 73 ASP HB3 . 30962 1 887 . 1 . 1 73 73 ASP C C 13 175.600 0.000 . . . . . . A 73 ASP C . 30962 1 888 . 1 . 1 73 73 ASP CA C 13 52.303 0.000 . . . . . . A 73 ASP CA . 30962 1 889 . 1 . 1 73 73 ASP CB C 13 42.048 0.000 . . . . . . A 73 ASP CB . 30962 1 890 . 1 . 1 73 73 ASP N N 15 129.397 0.000 . . . . . . A 73 ASP N . 30962 1 891 . 1 . 1 74 74 PHE H H 1 8.371 0.000 . . . . . . A 74 PHE H . 30962 1 892 . 1 . 1 74 74 PHE HA H 1 3.221 0.000 . . . . . . A 74 PHE HA . 30962 1 893 . 1 . 1 74 74 PHE HB2 H 1 2.192 0.000 . . . . . . A 74 PHE HB2 . 30962 1 894 . 1 . 1 74 74 PHE HB3 H 1 2.445 0.000 . . . . . . A 74 PHE HB3 . 30962 1 895 . 1 . 1 74 74 PHE HD1 H 1 6.680 0.000 . . . . . . A 74 PHE HD1 . 30962 1 896 . 1 . 1 74 74 PHE HD2 H 1 6.680 0.000 . . . . . . A 74 PHE HD2 . 30962 1 897 . 1 . 1 74 74 PHE HE1 H 1 7.150 0.050 . . . . . . A 74 PHE HE1 . 30962 1 898 . 1 . 1 74 74 PHE HE2 H 1 7.150 0.050 . . . . . . A 74 PHE HE2 . 30962 1 899 . 1 . 1 74 74 PHE HZ H 1 7.300 0.050 . . . . . . A 74 PHE HZ . 30962 1 900 . 1 . 1 74 74 PHE C C 13 176.057 0.000 . . . . . . A 74 PHE C . 30962 1 901 . 1 . 1 74 74 PHE CA C 13 60.705 0.000 . . . . . . A 74 PHE CA . 30962 1 902 . 1 . 1 74 74 PHE CB C 13 38.559 0.000 . . . . . . A 74 PHE CB . 30962 1 903 . 1 . 1 74 74 PHE CD1 C 13 132.000 0.300 . . . . . . A 74 PHE CD1 . 30962 1 904 . 1 . 1 74 74 PHE CD2 C 13 132.000 0.300 . . . . . . A 74 PHE CD2 . 30962 1 905 . 1 . 1 74 74 PHE CE1 C 13 130.100 0.300 . . . . . . A 74 PHE CE1 . 30962 1 906 . 1 . 1 74 74 PHE CE2 C 13 130.100 0.030 . . . . . . A 74 PHE CE2 . 30962 1 907 . 1 . 1 74 74 PHE CZ C 13 129.000 0.500 . . . . . . A 74 PHE CZ . 30962 1 908 . 1 . 1 74 74 PHE N N 15 118.006 0.000 . . . . . . A 74 PHE N . 30962 1 909 . 1 . 1 75 75 ASP H H 1 7.641 0.000 . . . . . . A 75 ASP H . 30962 1 910 . 1 . 1 75 75 ASP HA H 1 3.945 0.000 . . . . . . A 75 ASP HA . 30962 1 911 . 1 . 1 75 75 ASP HB2 H 1 2.674 0.000 . . . . . . A 75 ASP HB2 . 30962 1 912 . 1 . 1 75 75 ASP HB3 H 1 2.534 0.000 . . . . . . A 75 ASP HB3 . 30962 1 913 . 1 . 1 75 75 ASP C C 13 179.560 0.000 . . . . . . A 75 ASP C . 30962 1 914 . 1 . 1 75 75 ASP CA C 13 57.977 0.000 . . . . . . A 75 ASP CA . 30962 1 915 . 1 . 1 75 75 ASP CB C 13 40.226 0.000 . . . . . . A 75 ASP CB . 30962 1 916 . 1 . 1 75 75 ASP N N 15 118.548 0.000 . . . . . . A 75 ASP N . 30962 1 917 . 1 . 1 76 76 GLU H H 1 8.546 0.000 . . . . . . A 76 GLU H . 30962 1 918 . 1 . 1 76 76 GLU HA H 1 3.934 0.000 . . . . . . A 76 GLU HA . 30962 1 919 . 1 . 1 76 76 GLU HB2 H 1 2.044 0.000 . . . . . . A 76 GLU HB2 . 30962 1 920 . 1 . 1 76 76 GLU HB3 H 1 2.390 0.000 . . . . . . A 76 GLU HB3 . 30962 1 921 . 1 . 1 76 76 GLU HG2 H 1 2.887 0.000 . . . . . . A 76 GLU HG2 . 30962 1 922 . 1 . 1 76 76 GLU HG3 H 1 2.384 0.000 . . . . . . A 76 GLU HG3 . 30962 1 923 . 1 . 1 76 76 GLU C C 13 179.682 0.000 . . . . . . A 76 GLU C . 30962 1 924 . 1 . 1 76 76 GLU CA C 13 58.293 0.000 . . . . . . A 76 GLU CA . 30962 1 925 . 1 . 1 76 76 GLU CB C 13 29.917 0.000 . . . . . . A 76 GLU CB . 30962 1 926 . 1 . 1 76 76 GLU CG C 13 36.889 0.000 . . . . . . A 76 GLU CG . 30962 1 927 . 1 . 1 76 76 GLU N N 15 120.602 0.000 . . . . . . A 76 GLU N . 30962 1 928 . 1 . 1 77 77 PHE H H 1 8.880 0.000 . . . . . . A 77 PHE H . 30962 1 929 . 1 . 1 77 77 PHE HA H 1 3.751 0.000 . . . . . . A 77 PHE HA . 30962 1 930 . 1 . 1 77 77 PHE HB2 H 1 3.328 0.000 . . . . . . A 77 PHE HB2 . 30962 1 931 . 1 . 1 77 77 PHE HB3 H 1 2.962 0.000 . . . . . . A 77 PHE HB3 . 30962 1 932 . 1 . 1 77 77 PHE HD1 H 1 6.840 0.000 . . . . . . A 77 PHE HD1 . 30962 1 933 . 1 . 1 77 77 PHE HD2 H 1 6.840 0.000 . . . . . . A 77 PHE HD2 . 30962 1 934 . 1 . 1 77 77 PHE HE1 H 1 7.420 0.000 . . . . . . A 77 PHE HE1 . 30962 1 935 . 1 . 1 77 77 PHE HE2 H 1 7.420 0.000 . . . . . . A 77 PHE HE2 . 30962 1 936 . 1 . 1 77 77 PHE HZ H 1 7.250 0.000 . . . . . . A 77 PHE HZ . 30962 1 937 . 1 . 1 77 77 PHE C C 13 175.904 0.000 . . . . . . A 77 PHE C . 30962 1 938 . 1 . 1 77 77 PHE CA C 13 60.820 0.000 . . . . . . A 77 PHE CA . 30962 1 939 . 1 . 1 77 77 PHE CB C 13 39.720 0.000 . . . . . . A 77 PHE CB . 30962 1 940 . 1 . 1 77 77 PHE CD1 C 13 132.100 0.000 . . . . . . A 77 PHE CD1 . 30962 1 941 . 1 . 1 77 77 PHE CD2 C 13 132.100 0.000 . . . . . . A 77 PHE CD2 . 30962 1 942 . 1 . 1 77 77 PHE CE1 C 13 131.500 0.000 . . . . . . A 77 PHE CE1 . 30962 1 943 . 1 . 1 77 77 PHE CE2 C 13 131.500 0.000 . . . . . . A 77 PHE CE2 . 30962 1 944 . 1 . 1 77 77 PHE CZ C 13 128.700 0.000 . . . . . . A 77 PHE CZ . 30962 1 945 . 1 . 1 77 77 PHE N N 15 123.335 0.000 . . . . . . A 77 PHE N . 30962 1 946 . 1 . 1 78 78 LEU H H 1 8.333 0.000 . . . . . . A 78 LEU H . 30962 1 947 . 1 . 1 78 78 LEU HA H 1 3.218 0.000 . . . . . . A 78 LEU HA . 30962 1 948 . 1 . 1 78 78 LEU HB2 H 1 1.484 0.000 . . . . . . A 78 LEU HB2 . 30962 1 949 . 1 . 1 78 78 LEU HB3 H 1 1.098 0.000 . . . . . . A 78 LEU HB3 . 30962 1 950 . 1 . 1 78 78 LEU HG H 1 0.937 0.000 . . . . . . A 78 LEU HG . 30962 1 951 . 1 . 1 78 78 LEU HD11 H 1 0.475 0.000 . . . . . . A 78 LEU HD11 . 30962 1 952 . 1 . 1 78 78 LEU HD12 H 1 0.475 0.000 . . . . . . A 78 LEU HD12 . 30962 1 953 . 1 . 1 78 78 LEU HD13 H 1 0.475 0.000 . . . . . . A 78 LEU HD13 . 30962 1 954 . 1 . 1 78 78 LEU HD21 H 1 0.600 0.000 . . . . . . A 78 LEU HD21 . 30962 1 955 . 1 . 1 78 78 LEU HD22 H 1 0.600 0.000 . . . . . . A 78 LEU HD22 . 30962 1 956 . 1 . 1 78 78 LEU HD23 H 1 0.600 0.000 . . . . . . A 78 LEU HD23 . 30962 1 957 . 1 . 1 78 78 LEU C C 13 177.854 0.000 . . . . . . A 78 LEU C . 30962 1 958 . 1 . 1 78 78 LEU CA C 13 57.853 0.000 . . . . . . A 78 LEU CA . 30962 1 959 . 1 . 1 78 78 LEU CB C 13 41.779 0.000 . . . . . . A 78 LEU CB . 30962 1 960 . 1 . 1 78 78 LEU CG C 13 26.033 0.000 . . . . . . A 78 LEU CG . 30962 1 961 . 1 . 1 78 78 LEU CD1 C 13 25.482 0.000 . . . . . . A 78 LEU CD1 . 30962 1 962 . 1 . 1 78 78 LEU CD2 C 13 24.655 0.000 . . . . . . A 78 LEU CD2 . 30962 1 963 . 1 . 1 78 78 LEU N N 15 120.597 0.000 . . . . . . A 78 LEU N . 30962 1 964 . 1 . 1 79 79 VAL H H 1 7.013 0.000 . . . . . . A 79 VAL H . 30962 1 965 . 1 . 1 79 79 VAL HA H 1 3.230 0.000 . . . . . . A 79 VAL HA . 30962 1 966 . 1 . 1 79 79 VAL HB H 1 1.931 0.000 . . . . . . A 79 VAL HB . 30962 1 967 . 1 . 1 79 79 VAL HG11 H 1 0.978 0.000 . . . . . . A 79 VAL HG11 . 30962 1 968 . 1 . 1 79 79 VAL HG12 H 1 0.978 0.000 . . . . . . A 79 VAL HG12 . 30962 1 969 . 1 . 1 79 79 VAL HG13 H 1 0.978 0.000 . . . . . . A 79 VAL HG13 . 30962 1 970 . 1 . 1 79 79 VAL HG21 H 1 0.816 0.000 . . . . . . A 79 VAL HG21 . 30962 1 971 . 1 . 1 79 79 VAL HG22 H 1 0.816 0.000 . . . . . . A 79 VAL HG22 . 30962 1 972 . 1 . 1 79 79 VAL HG23 H 1 0.816 0.000 . . . . . . A 79 VAL HG23 . 30962 1 973 . 1 . 1 79 79 VAL C C 13 177.291 0.000 . . . . . . A 79 VAL C . 30962 1 974 . 1 . 1 79 79 VAL CA C 13 66.417 0.000 . . . . . . A 79 VAL CA . 30962 1 975 . 1 . 1 79 79 VAL CB C 13 31.499 0.000 . . . . . . A 79 VAL CB . 30962 1 976 . 1 . 1 79 79 VAL CG1 C 13 23.459 0.000 . . . . . . A 79 VAL CG1 . 30962 1 977 . 1 . 1 79 79 VAL CG2 C 13 21.643 0.000 . . . . . . A 79 VAL CG2 . 30962 1 978 . 1 . 1 79 79 VAL N N 15 116.815 0.000 . . . . . . A 79 VAL N . 30962 1 979 . 1 . 1 80 80 MET H H 1 7.339 0.000 . . . . . . A 80 MET H . 30962 1 980 . 1 . 1 80 80 MET HA H 1 3.583 0.000 . . . . . . A 80 MET HA . 30962 1 981 . 1 . 1 80 80 MET HB2 H 1 1.640 0.000 . . . . . . A 80 MET HB2 . 30962 1 982 . 1 . 1 80 80 MET HB3 H 1 2.075 0.000 . . . . . . A 80 MET HB3 . 30962 1 983 . 1 . 1 80 80 MET HG2 H 1 1.617 0.000 . . . . . . A 80 MET HG2 . 30962 1 984 . 1 . 1 80 80 MET HG3 H 1 2.052 0.000 . . . . . . A 80 MET HG3 . 30962 1 985 . 1 . 1 80 80 MET HE1 H 1 1.273 0.000 . . . . . . A 80 MET HE1 . 30962 1 986 . 1 . 1 80 80 MET HE2 H 1 1.273 0.000 . . . . . . A 80 MET HE2 . 30962 1 987 . 1 . 1 80 80 MET HE3 H 1 1.273 0.000 . . . . . . A 80 MET HE3 . 30962 1 988 . 1 . 1 80 80 MET C C 13 177.641 0.000 . . . . . . A 80 MET C . 30962 1 989 . 1 . 1 80 80 MET CA C 13 59.072 0.000 . . . . . . A 80 MET CA . 30962 1 990 . 1 . 1 80 80 MET CB C 13 29.236 0.000 . . . . . . A 80 MET CB . 30962 1 991 . 1 . 1 80 80 MET CG C 13 31.684 0.000 . . . . . . A 80 MET CG . 30962 1 992 . 1 . 1 80 80 MET CE C 13 17.879 0.000 . . . . . . A 80 MET CE . 30962 1 993 . 1 . 1 80 80 MET N N 15 119.439 0.000 . . . . . . A 80 MET N . 30962 1 994 . 1 . 1 81 81 MET H H 1 8.136 0.000 . . . . . . A 81 MET H . 30962 1 995 . 1 . 1 81 81 MET HA H 1 3.825 0.000 . . . . . . A 81 MET HA . 30962 1 996 . 1 . 1 81 81 MET HB2 H 1 1.306 0.000 . . . . . . A 81 MET HB2 . 30962 1 997 . 1 . 1 81 81 MET HB3 H 1 1.091 0.000 . . . . . . A 81 MET HB3 . 30962 1 998 . 1 . 1 81 81 MET HG2 H 1 1.447 0.000 . . . . . . A 81 MET HG2 . 30962 1 999 . 1 . 1 81 81 MET HG3 H 1 1.218 0.000 . . . . . . A 81 MET HG3 . 30962 1 1000 . 1 . 1 81 81 MET HE1 H 1 1.959 0.000 . . . . . . A 81 MET HE1 . 30962 1 1001 . 1 . 1 81 81 MET HE2 H 1 1.959 0.000 . . . . . . A 81 MET HE2 . 30962 1 1002 . 1 . 1 81 81 MET HE3 H 1 1.959 0.000 . . . . . . A 81 MET HE3 . 30962 1 1003 . 1 . 1 81 81 MET C C 13 178.814 0.000 . . . . . . A 81 MET C . 30962 1 1004 . 1 . 1 81 81 MET CA C 13 56.953 0.000 . . . . . . A 81 MET CA . 30962 1 1005 . 1 . 1 81 81 MET CB C 13 30.838 0.000 . . . . . . A 81 MET CB . 30962 1 1006 . 1 . 1 81 81 MET CG C 13 32.264 0.000 . . . . . . A 81 MET CG . 30962 1 1007 . 1 . 1 81 81 MET CE C 13 17.778 0.000 . . . . . . A 81 MET CE . 30962 1 1008 . 1 . 1 81 81 MET N N 15 120.106 0.000 . . . . . . A 81 MET N . 30962 1 1009 . 1 . 1 82 82 VAL H H 1 7.919 0.000 . . . . . . A 82 VAL H . 30962 1 1010 . 1 . 1 82 82 VAL HA H 1 3.698 0.000 . . . . . . A 82 VAL HA . 30962 1 1011 . 1 . 1 82 82 VAL HB H 1 2.058 0.000 . . . . . . A 82 VAL HB . 30962 1 1012 . 1 . 1 82 82 VAL HG11 H 1 1.028 0.000 . . . . . . A 82 VAL HG11 . 30962 1 1013 . 1 . 1 82 82 VAL HG12 H 1 1.028 0.000 . . . . . . A 82 VAL HG12 . 30962 1 1014 . 1 . 1 82 82 VAL HG13 H 1 1.028 0.000 . . . . . . A 82 VAL HG13 . 30962 1 1015 . 1 . 1 82 82 VAL HG21 H 1 0.960 0.000 . . . . . . A 82 VAL HG21 . 30962 1 1016 . 1 . 1 82 82 VAL HG22 H 1 0.960 0.000 . . . . . . A 82 VAL HG22 . 30962 1 1017 . 1 . 1 82 82 VAL HG23 H 1 0.960 0.000 . . . . . . A 82 VAL HG23 . 30962 1 1018 . 1 . 1 82 82 VAL C C 13 178.357 0.000 . . . . . . A 82 VAL C . 30962 1 1019 . 1 . 1 82 82 VAL CA C 13 66.252 0.000 . . . . . . A 82 VAL CA . 30962 1 1020 . 1 . 1 82 82 VAL CB C 13 31.086 0.000 . . . . . . A 82 VAL CB . 30962 1 1021 . 1 . 1 82 82 VAL CG1 C 13 22.735 0.000 . . . . . . A 82 VAL CG1 . 30962 1 1022 . 1 . 1 82 82 VAL CG2 C 13 21.933 0.000 . . . . . . A 82 VAL CG2 . 30962 1 1023 . 1 . 1 82 82 VAL N N 15 117.307 0.000 . . . . . . A 82 VAL N . 30962 1 1024 . 1 . 1 83 83 ARG H H 1 7.826 0.000 . . . . . . A 83 ARG H . 30962 1 1025 . 1 . 1 83 83 ARG HA H 1 3.618 0.000 . . . . . . A 83 ARG HA . 30962 1 1026 . 1 . 1 83 83 ARG HB2 H 1 1.586 0.000 . . . . . . A 83 ARG HB2 . 30962 1 1027 . 1 . 1 83 83 ARG HB3 H 1 1.339 0.000 . . . . . . A 83 ARG HB3 . 30962 1 1028 . 1 . 1 83 83 ARG HG2 H 1 0.864 0.000 . . . . . . A 83 ARG HG2 . 30962 1 1029 . 1 . 1 83 83 ARG HG3 H 1 1.193 0.000 . . . . . . A 83 ARG HG3 . 30962 1 1030 . 1 . 1 83 83 ARG HD2 H 1 2.927 0.000 . . . . . . A 83 ARG HD2 . 30962 1 1031 . 1 . 1 83 83 ARG HD3 H 1 2.752 0.000 . . . . . . A 83 ARG HD3 . 30962 1 1032 . 1 . 1 83 83 ARG HE H 1 7.033 0.000 . . . . . . A 83 ARG HE . 30962 1 1033 . 1 . 1 83 83 ARG C C 13 178.753 0.000 . . . . . . A 83 ARG C . 30962 1 1034 . 1 . 1 83 83 ARG CA C 13 59.999 0.000 . . . . . . A 83 ARG CA . 30962 1 1035 . 1 . 1 83 83 ARG CB C 13 29.787 0.000 . . . . . . A 83 ARG CB . 30962 1 1036 . 1 . 1 83 83 ARG CG C 13 27.527 0.000 . . . . . . A 83 ARG CG . 30962 1 1037 . 1 . 1 83 83 ARG CD C 13 43.572 0.000 . . . . . . A 83 ARG CD . 30962 1 1038 . 1 . 1 83 83 ARG N N 15 120.770 0.000 . . . . . . A 83 ARG N . 30962 1 1039 . 1 . 1 83 83 ARG NE N 15 83.953 0.000 . . . . . . A 83 ARG NE . 30962 1 1040 . 1 . 1 84 84 CYS H H 1 8.248 0.000 . . . . . . A 84 CYS H . 30962 1 1041 . 1 . 1 84 84 CYS HA H 1 4.225 0.000 . . . . . . A 84 CYS HA . 30962 1 1042 . 1 . 1 84 84 CYS HB2 H 1 2.968 0.000 . . . . . . A 84 CYS HB2 . 30962 1 1043 . 1 . 1 84 84 CYS HB3 H 1 3.040 0.000 . . . . . . A 84 CYS HB3 . 30962 1 1044 . 1 . 1 84 84 CYS C C 13 177.748 0.000 . . . . . . A 84 CYS C . 30962 1 1045 . 1 . 1 84 84 CYS CA C 13 62.805 0.000 . . . . . . A 84 CYS CA . 30962 1 1046 . 1 . 1 84 84 CYS CB C 13 26.860 0.000 . . . . . . A 84 CYS CB . 30962 1 1047 . 1 . 1 84 84 CYS N N 15 117.221 0.000 . . . . . . A 84 CYS N . 30962 1 1048 . 1 . 1 85 85 MET H H 1 8.228 0.000 . . . . . . A 85 MET H . 30962 1 1049 . 1 . 1 85 85 MET HA H 1 4.259 0.000 . . . . . . A 85 MET HA . 30962 1 1050 . 1 . 1 85 85 MET HB2 H 1 2.149 0.000 . . . . . . A 85 MET HB2 . 30962 1 1051 . 1 . 1 85 85 MET HB3 H 1 2.233 0.000 . . . . . . A 85 MET HB3 . 30962 1 1052 . 1 . 1 85 85 MET HG2 H 1 2.829 0.000 . . . . . . A 85 MET HG2 . 30962 1 1053 . 1 . 1 85 85 MET HG3 H 1 2.616 0.000 . . . . . . A 85 MET HG3 . 30962 1 1054 . 1 . 1 85 85 MET HE1 H 1 2.126 0.000 . . . . . . A 85 MET HE1 . 30962 1 1055 . 1 . 1 85 85 MET HE2 H 1 2.126 0.000 . . . . . . A 85 MET HE2 . 30962 1 1056 . 1 . 1 85 85 MET HE3 H 1 2.126 0.000 . . . . . . A 85 MET HE3 . 30962 1 1057 . 1 . 1 85 85 MET C C 13 176.940 0.000 . . . . . . A 85 MET C . 30962 1 1058 . 1 . 1 85 85 MET CA C 13 58.240 0.000 . . . . . . A 85 MET CA . 30962 1 1059 . 1 . 1 85 85 MET CB C 13 33.486 0.000 . . . . . . A 85 MET CB . 30962 1 1060 . 1 . 1 85 85 MET CG C 13 32.614 0.000 . . . . . . A 85 MET CG . 30962 1 1061 . 1 . 1 85 85 MET CE C 13 17.088 0.000 . . . . . . A 85 MET CE . 30962 1 1062 . 1 . 1 85 85 MET N N 15 120.328 0.000 . . . . . . A 85 MET N . 30962 1 1063 . 1 . 1 86 86 LYS H H 1 7.756 0.000 . . . . . . A 86 LYS H . 30962 1 1064 . 1 . 1 86 86 LYS HA H 1 4.251 0.000 . . . . . . A 86 LYS HA . 30962 1 1065 . 1 . 1 86 86 LYS HB2 H 1 2.064 0.000 . . . . . . A 86 LYS HB2 . 30962 1 1066 . 1 . 1 86 86 LYS HB3 H 1 1.840 0.000 . . . . . . A 86 LYS HB3 . 30962 1 1067 . 1 . 1 86 86 LYS HG2 H 1 1.547 0.000 . . . . . . A 86 LYS HG2 . 30962 1 1068 . 1 . 1 86 86 LYS HG3 H 1 1.518 0.000 . . . . . . A 86 LYS HG3 . 30962 1 1069 . 1 . 1 86 86 LYS HD2 H 1 1.707 0.000 . . . . . . A 86 LYS HD2 . 30962 1 1070 . 1 . 1 86 86 LYS HD3 H 1 1.661 0.000 . . . . . . A 86 LYS HD3 . 30962 1 1071 . 1 . 1 86 86 LYS HE2 H 1 2.930 0.000 . . . . . . A 86 LYS HE2 . 30962 1 1072 . 1 . 1 86 86 LYS HE3 H 1 2.930 0.000 . . . . . . A 86 LYS HE3 . 30962 1 1073 . 1 . 1 86 86 LYS C C 13 176.057 0.000 . . . . . . A 86 LYS C . 30962 1 1074 . 1 . 1 86 86 LYS CA C 13 56.803 0.000 . . . . . . A 86 LYS CA . 30962 1 1075 . 1 . 1 86 86 LYS CB C 13 32.706 0.000 . . . . . . A 86 LYS CB . 30962 1 1076 . 1 . 1 86 86 LYS CG C 13 24.891 0.000 . . . . . . A 86 LYS CG . 30962 1 1077 . 1 . 1 86 86 LYS CD C 13 28.700 0.000 . . . . . . A 86 LYS CD . 30962 1 1078 . 1 . 1 86 86 LYS CE C 13 41.780 0.000 . . . . . . A 86 LYS CE . 30962 1 1079 . 1 . 1 86 86 LYS N N 15 118.915 0.000 . . . . . . A 86 LYS N . 30962 1 1080 . 1 . 1 87 87 ASP H H 1 8.161 0.000 . . . . . . A 87 ASP H . 30962 1 1081 . 1 . 1 87 87 ASP HA H 1 4.577 0.000 . . . . . . A 87 ASP HA . 30962 1 1082 . 1 . 1 87 87 ASP HB2 H 1 2.880 0.000 . . . . . . A 87 ASP HB2 . 30962 1 1083 . 1 . 1 87 87 ASP HB3 H 1 2.653 0.000 . . . . . . A 87 ASP HB3 . 30962 1 1084 . 1 . 1 87 87 ASP C C 13 175.874 0.000 . . . . . . A 87 ASP C . 30962 1 1085 . 1 . 1 87 87 ASP CA C 13 54.858 0.000 . . . . . . A 87 ASP CA . 30962 1 1086 . 1 . 1 87 87 ASP CB C 13 40.418 0.000 . . . . . . A 87 ASP CB . 30962 1 1087 . 1 . 1 87 87 ASP N N 15 120.136 0.000 . . . . . . A 87 ASP N . 30962 1 1088 . 1 . 1 88 88 ASP H H 1 8.374 0.000 . . . . . . A 88 ASP H . 30962 1 1089 . 1 . 1 88 88 ASP HA H 1 4.805 0.000 . . . . . . A 88 ASP HA . 30962 1 1090 . 1 . 1 88 88 ASP HB2 H 1 2.654 0.000 . . . . . . A 88 ASP HB2 . 30962 1 1091 . 1 . 1 88 88 ASP HB3 H 1 2.574 0.000 . . . . . . A 88 ASP HB3 . 30962 1 1092 . 1 . 1 88 88 ASP C C 13 176.773 0.000 . . . . . . A 88 ASP C . 30962 1 1093 . 1 . 1 88 88 ASP CA C 13 53.812 0.000 . . . . . . A 88 ASP CA . 30962 1 1094 . 1 . 1 88 88 ASP CB C 13 41.270 0.000 . . . . . . A 88 ASP CB . 30962 1 1095 . 1 . 1 88 88 ASP N N 15 120.700 0.000 . . . . . . A 88 ASP N . 30962 1 1096 . 1 . 1 89 89 SER H H 1 8.298 0.000 . . . . . . A 89 SER H . 30962 1 1097 . 1 . 1 89 89 SER HA H 1 4.305 0.000 . . . . . . A 89 SER HA . 30962 1 1098 . 1 . 1 89 89 SER HB2 H 1 4.012 0.000 . . . . . . A 89 SER HB2 . 30962 1 1099 . 1 . 1 89 89 SER HB3 H 1 3.888 0.000 . . . . . . A 89 SER HB3 . 30962 1 1100 . 1 . 1 89 89 SER C C 13 175.112 0.000 . . . . . . A 89 SER C . 30962 1 1101 . 1 . 1 89 89 SER CA C 13 59.667 0.000 . . . . . . A 89 SER CA . 30962 1 1102 . 1 . 1 89 89 SER CB C 13 63.546 0.000 . . . . . . A 89 SER CB . 30962 1 1103 . 1 . 1 89 89 SER N N 15 116.751 0.000 . . . . . . A 89 SER N . 30962 1 1104 . 1 . 1 90 90 LYS H H 1 8.391 0.000 . . . . . . A 90 LYS H . 30962 1 1105 . 1 . 1 90 90 LYS HA H 1 4.282 0.000 . . . . . . A 90 LYS HA . 30962 1 1106 . 1 . 1 90 90 LYS HB2 H 1 1.840 0.000 . . . . . . A 90 LYS HB2 . 30962 1 1107 . 1 . 1 90 90 LYS HB3 H 1 1.718 0.000 . . . . . . A 90 LYS HB3 . 30962 1 1108 . 1 . 1 90 90 LYS HG2 H 1 1.460 0.000 . . . . . . A 90 LYS HG2 . 30962 1 1109 . 1 . 1 90 90 LYS HG3 H 1 1.385 0.000 . . . . . . A 90 LYS HG3 . 30962 1 1110 . 1 . 1 90 90 LYS HD2 H 1 1.622 0.000 . . . . . . A 90 LYS HD2 . 30962 1 1111 . 1 . 1 90 90 LYS HD3 H 1 1.670 0.000 . . . . . . A 90 LYS HD3 . 30962 1 1112 . 1 . 1 90 90 LYS HE2 H 1 2.999 0.000 . . . . . . A 90 LYS HE2 . 30962 1 1113 . 1 . 1 90 90 LYS HE3 H 1 2.962 0.000 . . . . . . A 90 LYS HE3 . 30962 1 1114 . 1 . 1 90 90 LYS C C 13 177.199 0.000 . . . . . . A 90 LYS C . 30962 1 1115 . 1 . 1 90 90 LYS CA C 13 57.272 0.000 . . . . . . A 90 LYS CA . 30962 1 1116 . 1 . 1 90 90 LYS CB C 13 32.715 0.000 . . . . . . A 90 LYS CB . 30962 1 1117 . 1 . 1 90 90 LYS CG C 13 25.059 0.000 . . . . . . A 90 LYS CG . 30962 1 1118 . 1 . 1 90 90 LYS CD C 13 29.070 0.000 . . . . . . A 90 LYS CD . 30962 1 1119 . 1 . 1 90 90 LYS CE C 13 42.120 0.000 . . . . . . A 90 LYS CE . 30962 1 1120 . 1 . 1 90 90 LYS N N 15 122.531 0.000 . . . . . . A 90 LYS N . 30962 1 1121 . 1 . 1 91 91 GLY H H 1 7.950 0.000 . . . . . . A 91 GLY H . 30962 1 1122 . 1 . 1 91 91 GLY HA2 H 1 3.862 0.000 . . . . . . A 91 GLY HA2 . 30962 1 1123 . 1 . 1 91 91 GLY HA3 H 1 3.901 0.000 . . . . . . A 91 GLY HA3 . 30962 1 1124 . 1 . 1 91 91 GLY C C 13 173.970 0.000 . . . . . . A 91 GLY C . 30962 1 1125 . 1 . 1 91 91 GLY CA C 13 45.363 0.000 . . . . . . A 91 GLY CA . 30962 1 1126 . 1 . 1 91 91 GLY N N 15 108.253 0.000 . . . . . . A 91 GLY N . 30962 1 1127 . 1 . 1 92 92 ALA H H 1 8.121 0.000 . . . . . . A 92 ALA H . 30962 1 1128 . 1 . 1 92 92 ALA HA H 1 4.270 0.000 . . . . . . A 92 ALA HA . 30962 1 1129 . 1 . 1 92 92 ALA HB1 H 1 1.323 0.000 . . . . . . A 92 ALA HB1 . 30962 1 1130 . 1 . 1 92 92 ALA HB2 H 1 1.323 0.000 . . . . . . A 92 ALA HB2 . 30962 1 1131 . 1 . 1 92 92 ALA HB3 H 1 1.323 0.000 . . . . . . A 92 ALA HB3 . 30962 1 1132 . 1 . 1 92 92 ALA C C 13 178.052 0.000 . . . . . . A 92 ALA C . 30962 1 1133 . 1 . 1 92 92 ALA CA C 13 52.592 0.000 . . . . . . A 92 ALA CA . 30962 1 1134 . 1 . 1 92 92 ALA CB C 13 19.111 0.000 . . . . . . A 92 ALA CB . 30962 1 1135 . 1 . 1 92 92 ALA N N 15 123.748 0.000 . . . . . . A 92 ALA N . 30962 1 1136 . 1 . 1 93 93 GLY H H 1 8.278 0.000 . . . . . . A 93 GLY H . 30962 1 1137 . 1 . 1 93 93 GLY HA2 H 1 3.933 0.000 . . . . . . A 93 GLY HA2 . 30962 1 1138 . 1 . 1 93 93 GLY HA3 H 1 3.840 0.000 . . . . . . A 93 GLY HA3 . 30962 1 1139 . 1 . 1 93 93 GLY C C 13 173.970 0.000 . . . . . . A 93 GLY C . 30962 1 1140 . 1 . 1 93 93 GLY CA C 13 45.567 0.000 . . . . . . A 93 GLY CA . 30962 1 1141 . 1 . 1 93 93 GLY N N 15 108.074 0.000 . . . . . . A 93 GLY N . 30962 1 1142 . 1 . 1 94 94 ALA H H 1 7.965 0.000 . . . . . . A 94 ALA H . 30962 1 1143 . 1 . 1 94 94 ALA HA H 1 4.232 0.000 . . . . . . A 94 ALA HA . 30962 1 1144 . 1 . 1 94 94 ALA HB1 H 1 1.301 0.000 . . . . . . A 94 ALA HB1 . 30962 1 1145 . 1 . 1 94 94 ALA HB2 H 1 1.301 0.000 . . . . . . A 94 ALA HB2 . 30962 1 1146 . 1 . 1 94 94 ALA HB3 H 1 1.301 0.000 . . . . . . A 94 ALA HB3 . 30962 1 1147 . 1 . 1 94 94 ALA C C 13 178.205 0.000 . . . . . . A 94 ALA C . 30962 1 1148 . 1 . 1 94 94 ALA CA C 13 52.711 0.000 . . . . . . A 94 ALA CA . 30962 1 1149 . 1 . 1 94 94 ALA CB C 13 18.937 0.000 . . . . . . A 94 ALA CB . 30962 1 1150 . 1 . 1 94 94 ALA N N 15 123.714 0.000 . . . . . . A 94 ALA N . 30962 1 1151 . 1 . 1 95 95 GLY H H 1 8.426 0.000 . . . . . . A 95 GLY H . 30962 1 1152 . 1 . 1 95 95 GLY HA2 H 1 3.924 0.000 . . . . . . A 95 GLY HA2 . 30962 1 1153 . 1 . 1 95 95 GLY HA3 H 1 3.872 0.000 . . . . . . A 95 GLY HA3 . 30962 1 1154 . 1 . 1 95 95 GLY C C 13 173.833 0.000 . . . . . . A 95 GLY C . 30962 1 1155 . 1 . 1 95 95 GLY CA C 13 45.262 0.000 . . . . . . A 95 GLY CA . 30962 1 1156 . 1 . 1 95 95 GLY N N 15 108.372 0.000 . . . . . . A 95 GLY N . 30962 1 1157 . 1 . 1 96 96 VAL H H 1 7.865 0.000 . . . . . . A 96 VAL H . 30962 1 1158 . 1 . 1 96 96 VAL HA H 1 4.109 0.000 . . . . . . A 96 VAL HA . 30962 1 1159 . 1 . 1 96 96 VAL HB H 1 1.845 0.000 . . . . . . A 96 VAL HB . 30962 1 1160 . 1 . 1 96 96 VAL HG11 H 1 0.880 0.000 . . . . . . A 96 VAL HG11 . 30962 1 1161 . 1 . 1 96 96 VAL HG12 H 1 0.880 0.000 . . . . . . A 96 VAL HG12 . 30962 1 1162 . 1 . 1 96 96 VAL HG13 H 1 0.880 0.000 . . . . . . A 96 VAL HG13 . 30962 1 1163 . 1 . 1 96 96 VAL HG21 H 1 0.841 0.000 . . . . . . A 96 VAL HG21 . 30962 1 1164 . 1 . 1 96 96 VAL HG22 H 1 0.841 0.000 . . . . . . A 96 VAL HG22 . 30962 1 1165 . 1 . 1 96 96 VAL HG23 H 1 0.841 0.000 . . . . . . A 96 VAL HG23 . 30962 1 1166 . 1 . 1 96 96 VAL C C 13 177.062 0.000 . . . . . . A 96 VAL C . 30962 1 1167 . 1 . 1 96 96 VAL CA C 13 62.157 0.000 . . . . . . A 96 VAL CA . 30962 1 1168 . 1 . 1 96 96 VAL CB C 13 32.329 0.000 . . . . . . A 96 VAL CB . 30962 1 1169 . 1 . 1 96 96 VAL CG1 C 13 21.251 0.000 . . . . . . A 96 VAL CG1 . 30962 1 1170 . 1 . 1 96 96 VAL CG2 C 13 20.285 0.000 . . . . . . A 96 VAL CG2 . 30962 1 1171 . 1 . 1 96 96 VAL N N 15 119.201 0.000 . . . . . . A 96 VAL N . 30962 1 1172 . 1 . 1 97 97 ARG H H 1 7.944 0.000 . . . . . . A 97 ARG H . 30962 1 1173 . 1 . 1 97 97 ARG HA H 1 4.443 0.000 . . . . . . A 97 ARG HA . 30962 1 1174 . 1 . 1 97 97 ARG HB2 H 1 1.870 0.000 . . . . . . A 97 ARG HB2 . 30962 1 1175 . 1 . 1 97 97 ARG HB3 H 1 1.740 0.000 . . . . . . A 97 ARG HB3 . 30962 1 1176 . 1 . 1 97 97 ARG HG2 H 1 1.580 0.000 . . . . . . A 97 ARG HG2 . 30962 1 1177 . 1 . 1 97 97 ARG HG3 H 1 1.602 0.000 . . . . . . A 97 ARG HG3 . 30962 1 1178 . 1 . 1 97 97 ARG HD2 H 1 3.119 0.000 . . . . . . A 97 ARG HD2 . 30962 1 1179 . 1 . 1 97 97 ARG HD3 H 1 3.087 0.000 . . . . . . A 97 ARG HD3 . 30962 1 1180 . 1 . 1 97 97 ARG HE H 1 7.178 0.000 . . . . . . A 97 ARG HE . 30962 1 1181 . 1 . 1 97 97 ARG C C 13 175.889 0.000 . . . . . . A 97 ARG C . 30962 1 1182 . 1 . 1 97 97 ARG CA C 13 55.958 0.000 . . . . . . A 97 ARG CA . 30962 1 1183 . 1 . 1 97 97 ARG CB C 13 31.492 0.000 . . . . . . A 97 ARG CB . 30962 1 1184 . 1 . 1 97 97 ARG CG C 13 26.934 0.000 . . . . . . A 97 ARG CG . 30962 1 1185 . 1 . 1 97 97 ARG CD C 13 43.520 0.000 . . . . . . A 97 ARG CD . 30962 1 1186 . 1 . 1 97 97 ARG N N 15 122.549 0.000 . . . . . . A 97 ARG N . 30962 1 1187 . 1 . 1 97 97 ARG NE N 15 84.584 0.000 . . . . . . A 97 ARG NE . 30962 1 1188 . 1 . 1 98 98 ILE H H 1 7.399 0.000 . . . . . . A 98 ILE H . 30962 1 1189 . 1 . 1 98 98 ILE HA H 1 4.240 0.000 . . . . . . A 98 ILE HA . 30962 1 1190 . 1 . 1 98 98 ILE HB H 1 1.991 0.000 . . . . . . A 98 ILE HB . 30962 1 1191 . 1 . 1 98 98 ILE HG12 H 1 1.525 0.000 . . . . . . A 98 ILE HG12 . 30962 1 1192 . 1 . 1 98 98 ILE HG13 H 1 1.388 0.000 . . . . . . A 98 ILE HG13 . 30962 1 1193 . 1 . 1 98 98 ILE HG21 H 1 0.921 0.000 . . . . . . A 98 ILE HG21 . 30962 1 1194 . 1 . 1 98 98 ILE HG22 H 1 0.921 0.000 . . . . . . A 98 ILE HG22 . 30962 1 1195 . 1 . 1 98 98 ILE HG23 H 1 0.921 0.000 . . . . . . A 98 ILE HG23 . 30962 1 1196 . 1 . 1 98 98 ILE HD11 H 1 0.746 0.000 . . . . . . A 98 ILE HD11 . 30962 1 1197 . 1 . 1 98 98 ILE HD12 H 1 0.746 0.000 . . . . . . A 98 ILE HD12 . 30962 1 1198 . 1 . 1 98 98 ILE HD13 H 1 0.746 0.000 . . . . . . A 98 ILE HD13 . 30962 1 1199 . 1 . 1 98 98 ILE C C 13 174.594 0.000 . . . . . . A 98 ILE C . 30962 1 1200 . 1 . 1 98 98 ILE CA C 13 58.138 0.000 . . . . . . A 98 ILE CA . 30962 1 1201 . 1 . 1 98 98 ILE CB C 13 37.809 0.000 . . . . . . A 98 ILE CB . 30962 1 1202 . 1 . 1 98 98 ILE CG1 C 13 26.542 0.000 . . . . . . A 98 ILE CG1 . 30962 1 1203 . 1 . 1 98 98 ILE CG2 C 13 17.329 0.000 . . . . . . A 98 ILE CG2 . 30962 1 1204 . 1 . 1 98 98 ILE CD1 C 13 10.233 0.000 . . . . . . A 98 ILE CD1 . 30962 1 1205 . 1 . 1 98 98 ILE N N 15 121.416 0.000 . . . . . . A 98 ILE N . 30962 1 1206 . 1 . 1 99 99 SER H H 1 8.316 0.000 . . . . . . A 99 SER H . 30962 1 1207 . 1 . 1 99 99 SER HA H 1 4.683 0.000 . . . . . . A 99 SER HA . 30962 1 1208 . 1 . 1 99 99 SER HB2 H 1 3.944 0.000 . . . . . . A 99 SER HB2 . 30962 1 1209 . 1 . 1 99 99 SER HB3 H 1 4.182 0.000 . . . . . . A 99 SER HB3 . 30962 1 1210 . 1 . 1 99 99 SER C C 13 175.112 0.000 . . . . . . A 99 SER C . 30962 1 1211 . 1 . 1 99 99 SER CA C 13 56.429 0.000 . . . . . . A 99 SER CA . 30962 1 1212 . 1 . 1 99 99 SER CB C 13 64.193 0.000 . . . . . . A 99 SER CB . 30962 1 1213 . 1 . 1 99 99 SER N N 15 119.932 0.000 . . . . . . A 99 SER N . 30962 1 1214 . 1 . 1 100 100 ALA H H 1 8.705 0.000 . . . . . . A 100 ALA H . 30962 1 1215 . 1 . 1 100 100 ALA HA H 1 4.024 0.000 . . . . . . A 100 ALA HA . 30962 1 1216 . 1 . 1 100 100 ALA HB1 H 1 1.473 0.000 . . . . . . A 100 ALA HB1 . 30962 1 1217 . 1 . 1 100 100 ALA HB2 H 1 1.473 0.000 . . . . . . A 100 ALA HB2 . 30962 1 1218 . 1 . 1 100 100 ALA HB3 H 1 1.473 0.000 . . . . . . A 100 ALA HB3 . 30962 1 1219 . 1 . 1 100 100 ALA C C 13 179.362 0.000 . . . . . . A 100 ALA C . 30962 1 1220 . 1 . 1 100 100 ALA CA C 13 55.417 0.000 . . . . . . A 100 ALA CA . 30962 1 1221 . 1 . 1 100 100 ALA CB C 13 18.799 0.000 . . . . . . A 100 ALA CB . 30962 1 1222 . 1 . 1 100 100 ALA N N 15 129.661 0.000 . . . . . . A 100 ALA N . 30962 1 1223 . 1 . 1 101 101 ASP H H 1 8.464 0.000 . . . . . . A 101 ASP H . 30962 1 1224 . 1 . 1 101 101 ASP HA H 1 4.256 0.000 . . . . . . A 101 ASP HA . 30962 1 1225 . 1 . 1 101 101 ASP HB2 H 1 2.584 0.000 . . . . . . A 101 ASP HB2 . 30962 1 1226 . 1 . 1 101 101 ASP HB3 H 1 2.556 0.000 . . . . . . A 101 ASP HB3 . 30962 1 1227 . 1 . 1 101 101 ASP C C 13 178.068 0.000 . . . . . . A 101 ASP C . 30962 1 1228 . 1 . 1 101 101 ASP CA C 13 57.143 0.000 . . . . . . A 101 ASP CA . 30962 1 1229 . 1 . 1 101 101 ASP CB C 13 40.696 0.000 . . . . . . A 101 ASP CB . 30962 1 1230 . 1 . 1 101 101 ASP N N 15 116.480 0.000 . . . . . . A 101 ASP N . 30962 1 1231 . 1 . 1 102 102 ALA H H 1 7.823 0.000 . . . . . . A 102 ALA H . 30962 1 1232 . 1 . 1 102 102 ALA HA H 1 4.097 0.000 . . . . . . A 102 ALA HA . 30962 1 1233 . 1 . 1 102 102 ALA HB1 H 1 1.541 0.000 . . . . . . A 102 ALA HB1 . 30962 1 1234 . 1 . 1 102 102 ALA HB2 H 1 1.541 0.000 . . . . . . A 102 ALA HB2 . 30962 1 1235 . 1 . 1 102 102 ALA HB3 H 1 1.541 0.000 . . . . . . A 102 ALA HB3 . 30962 1 1236 . 1 . 1 102 102 ALA C C 13 174.488 0.000 . . . . . . A 102 ALA C . 30962 1 1237 . 1 . 1 102 102 ALA CA C 13 54.876 0.000 . . . . . . A 102 ALA CA . 30962 1 1238 . 1 . 1 102 102 ALA CB C 13 18.210 0.000 . . . . . . A 102 ALA CB . 30962 1 1239 . 1 . 1 102 102 ALA N N 15 122.136 0.000 . . . . . . A 102 ALA N . 30962 1 1240 . 1 . 1 103 103 MET H H 1 7.801 0.000 . . . . . . A 103 MET H . 30962 1 1241 . 1 . 1 103 103 MET HA H 1 3.894 0.000 . . . . . . A 103 MET HA . 30962 1 1242 . 1 . 1 103 103 MET HB2 H 1 2.350 0.000 . . . . . . A 103 MET HB2 . 30962 1 1243 . 1 . 1 103 103 MET HB3 H 1 2.026 0.000 . . . . . . A 103 MET HB3 . 30962 1 1244 . 1 . 1 103 103 MET HG2 H 1 2.250 0.000 . . . . . . A 103 MET HG2 . 30962 1 1245 . 1 . 1 103 103 MET HG3 H 1 2.593 0.000 . . . . . . A 103 MET HG3 . 30962 1 1246 . 1 . 1 103 103 MET HE1 H 1 2.107 0.000 . . . . . . A 103 MET HE1 . 30962 1 1247 . 1 . 1 103 103 MET HE2 H 1 2.107 0.000 . . . . . . A 103 MET HE2 . 30962 1 1248 . 1 . 1 103 103 MET HE3 H 1 2.107 0.000 . . . . . . A 103 MET HE3 . 30962 1 1249 . 1 . 1 103 103 MET C C 13 177.306 0.000 . . . . . . A 103 MET C . 30962 1 1250 . 1 . 1 103 103 MET CA C 13 60.337 0.000 . . . . . . A 103 MET CA . 30962 1 1251 . 1 . 1 103 103 MET CB C 13 34.862 0.000 . . . . . . A 103 MET CB . 30962 1 1252 . 1 . 1 103 103 MET CG C 13 33.026 0.000 . . . . . . A 103 MET CG . 30962 1 1253 . 1 . 1 103 103 MET CE C 13 17.548 0.000 . . . . . . A 103 MET CE . 30962 1 1254 . 1 . 1 103 103 MET N N 15 117.237 0.000 . . . . . . A 103 MET N . 30962 1 1255 . 1 . 1 104 104 MET H H 1 8.455 0.000 . . . . . . A 104 MET H . 30962 1 1256 . 1 . 1 104 104 MET HA H 1 4.462 0.000 . . . . . . A 104 MET HA . 30962 1 1257 . 1 . 1 104 104 MET HB2 H 1 2.298 0.000 . . . . . . A 104 MET HB2 . 30962 1 1258 . 1 . 1 104 104 MET HB3 H 1 1.964 0.000 . . . . . . A 104 MET HB3 . 30962 1 1259 . 1 . 1 104 104 MET HG2 H 1 2.771 0.000 . . . . . . A 104 MET HG2 . 30962 1 1260 . 1 . 1 104 104 MET HG3 H 1 2.750 0.000 . . . . . . A 104 MET HG3 . 30962 1 1261 . 1 . 1 104 104 MET HE1 H 1 1.932 0.000 . . . . . . A 104 MET HE1 . 30962 1 1262 . 1 . 1 104 104 MET HE2 H 1 1.932 0.000 . . . . . . A 104 MET HE2 . 30962 1 1263 . 1 . 1 104 104 MET HE3 H 1 1.932 0.000 . . . . . . A 104 MET HE3 . 30962 1 1264 . 1 . 1 104 104 MET C C 13 178.951 0.000 . . . . . . A 104 MET C . 30962 1 1265 . 1 . 1 104 104 MET CA C 13 57.341 0.000 . . . . . . A 104 MET CA . 30962 1 1266 . 1 . 1 104 104 MET CB C 13 30.834 0.000 . . . . . . A 104 MET CB . 30962 1 1267 . 1 . 1 104 104 MET CG C 13 32.614 0.000 . . . . . . A 104 MET CG . 30962 1 1268 . 1 . 1 104 104 MET CE C 13 17.217 0.000 . . . . . . A 104 MET CE . 30962 1 1269 . 1 . 1 104 104 MET N N 15 116.650 0.000 . . . . . . A 104 MET N . 30962 1 1270 . 1 . 1 105 105 GLN H H 1 8.330 0.000 . . . . . . A 105 GLN H . 30962 1 1271 . 1 . 1 105 105 GLN HA H 1 4.008 0.000 . . . . . . A 105 GLN HA . 30962 1 1272 . 1 . 1 105 105 GLN HB2 H 1 2.095 0.000 . . . . . . A 105 GLN HB2 . 30962 1 1273 . 1 . 1 105 105 GLN HB3 H 1 2.075 0.000 . . . . . . A 105 GLN HB3 . 30962 1 1274 . 1 . 1 105 105 GLN HG2 H 1 2.449 0.000 . . . . . . A 105 GLN HG2 . 30962 1 1275 . 1 . 1 105 105 GLN HG3 H 1 2.348 0.000 . . . . . . A 105 GLN HG3 . 30962 1 1276 . 1 . 1 105 105 GLN HE21 H 1 7.522 0.000 . . . . . . A 105 GLN HE21 . 30962 1 1277 . 1 . 1 105 105 GLN HE22 H 1 6.764 0.000 . . . . . . A 105 GLN HE22 . 30962 1 1278 . 1 . 1 105 105 GLN C C 13 178.844 0.000 . . . . . . A 105 GLN C . 30962 1 1279 . 1 . 1 105 105 GLN CA C 13 58.844 0.000 . . . . . . A 105 GLN CA . 30962 1 1280 . 1 . 1 105 105 GLN CB C 13 28.315 0.000 . . . . . . A 105 GLN CB . 30962 1 1281 . 1 . 1 105 105 GLN CG C 13 34.109 0.000 . . . . . . A 105 GLN CG . 30962 1 1282 . 1 . 1 105 105 GLN N N 15 118.383 0.000 . . . . . . A 105 GLN N . 30962 1 1283 . 1 . 1 105 105 GLN NE2 N 15 112.228 0.000 . . . . . . A 105 GLN NE2 . 30962 1 1284 . 1 . 1 106 106 ALA H H 1 7.786 0.000 . . . . . . A 106 ALA H . 30962 1 1285 . 1 . 1 106 106 ALA HA H 1 4.115 0.000 . . . . . . A 106 ALA HA . 30962 1 1286 . 1 . 1 106 106 ALA HB1 H 1 1.426 0.000 . . . . . . A 106 ALA HB1 . 30962 1 1287 . 1 . 1 106 106 ALA HB2 H 1 1.426 0.000 . . . . . . A 106 ALA HB2 . 30962 1 1288 . 1 . 1 106 106 ALA HB3 H 1 1.426 0.000 . . . . . . A 106 ALA HB3 . 30962 1 1289 . 1 . 1 106 106 ALA C C 13 179.119 0.000 . . . . . . A 106 ALA C . 30962 1 1290 . 1 . 1 106 106 ALA CA C 13 54.598 0.000 . . . . . . A 106 ALA CA . 30962 1 1291 . 1 . 1 106 106 ALA CB C 13 18.293 0.000 . . . . . . A 106 ALA CB . 30962 1 1292 . 1 . 1 106 106 ALA N N 15 121.562 0.000 . . . . . . A 106 ALA N . 30962 1 1293 . 1 . 1 107 107 LEU H H 1 7.947 0.000 . . . . . . A 107 LEU H . 30962 1 1294 . 1 . 1 107 107 LEU HA H 1 4.114 0.000 . . . . . . A 107 LEU HA . 30962 1 1295 . 1 . 1 107 107 LEU HB2 H 1 1.939 0.000 . . . . . . A 107 LEU HB2 . 30962 1 1296 . 1 . 1 107 107 LEU HB3 H 1 1.458 0.000 . . . . . . A 107 LEU HB3 . 30962 1 1297 . 1 . 1 107 107 LEU HG H 1 1.800 0.000 . . . . . . A 107 LEU HG . 30962 1 1298 . 1 . 1 107 107 LEU HD11 H 1 0.960 0.000 . . . . . . A 107 LEU HD11 . 30962 1 1299 . 1 . 1 107 107 LEU HD12 H 1 0.960 0.000 . . . . . . A 107 LEU HD12 . 30962 1 1300 . 1 . 1 107 107 LEU HD13 H 1 0.960 0.000 . . . . . . A 107 LEU HD13 . 30962 1 1301 . 1 . 1 107 107 LEU HD21 H 1 0.603 0.000 . . . . . . A 107 LEU HD21 . 30962 1 1302 . 1 . 1 107 107 LEU HD22 H 1 0.603 0.000 . . . . . . A 107 LEU HD22 . 30962 1 1303 . 1 . 1 107 107 LEU HD23 H 1 0.603 0.000 . . . . . . A 107 LEU HD23 . 30962 1 1304 . 1 . 1 107 107 LEU C C 13 177.565 0.000 . . . . . . A 107 LEU C . 30962 1 1305 . 1 . 1 107 107 LEU CA C 13 57.098 0.000 . . . . . . A 107 LEU CA . 30962 1 1306 . 1 . 1 107 107 LEU CB C 13 43.043 0.000 . . . . . . A 107 LEU CB . 30962 1 1307 . 1 . 1 107 107 LEU CG C 13 27.137 0.000 . . . . . . A 107 LEU CG . 30962 1 1308 . 1 . 1 107 107 LEU CD1 C 13 26.004 0.000 . . . . . . A 107 LEU CD1 . 30962 1 1309 . 1 . 1 107 107 LEU CD2 C 13 21.953 0.000 . . . . . . A 107 LEU CD2 . 30962 1 1310 . 1 . 1 107 107 LEU N N 15 115.731 0.000 . . . . . . A 107 LEU N . 30962 1 1311 . 1 . 1 108 108 LEU H H 1 8.300 0.000 . . . . . . A 108 LEU H . 30962 1 1312 . 1 . 1 108 108 LEU HA H 1 4.401 0.000 . . . . . . A 108 LEU HA . 30962 1 1313 . 1 . 1 108 108 LEU HB2 H 1 1.837 0.000 . . . . . . A 108 LEU HB2 . 30962 1 1314 . 1 . 1 108 108 LEU HB3 H 1 1.458 0.000 . . . . . . A 108 LEU HB3 . 30962 1 1315 . 1 . 1 108 108 LEU HG H 1 1.679 0.000 . . . . . . A 108 LEU HG . 30962 1 1316 . 1 . 1 108 108 LEU HD11 H 1 0.964 0.000 . . . . . . A 108 LEU HD11 . 30962 1 1317 . 1 . 1 108 108 LEU HD12 H 1 0.964 0.000 . . . . . . A 108 LEU HD12 . 30962 1 1318 . 1 . 1 108 108 LEU HD13 H 1 0.964 0.000 . . . . . . A 108 LEU HD13 . 30962 1 1319 . 1 . 1 108 108 LEU HD21 H 1 0.807 0.000 . . . . . . A 108 LEU HD21 . 30962 1 1320 . 1 . 1 108 108 LEU HD22 H 1 0.807 0.000 . . . . . . A 108 LEU HD22 . 30962 1 1321 . 1 . 1 108 108 LEU HD23 H 1 0.807 0.000 . . . . . . A 108 LEU HD23 . 30962 1 1322 . 1 . 1 108 108 LEU C C 13 178.951 0.000 . . . . . . A 108 LEU C . 30962 1 1323 . 1 . 1 108 108 LEU CA C 13 54.965 0.000 . . . . . . A 108 LEU CA . 30962 1 1324 . 1 . 1 108 108 LEU CB C 13 43.254 0.000 . . . . . . A 108 LEU CB . 30962 1 1325 . 1 . 1 108 108 LEU CG C 13 26.913 0.000 . . . . . . A 108 LEU CG . 30962 1 1326 . 1 . 1 108 108 LEU CD1 C 13 26.225 0.000 . . . . . . A 108 LEU CD1 . 30962 1 1327 . 1 . 1 108 108 LEU CD2 C 13 22.281 0.000 . . . . . . A 108 LEU CD2 . 30962 1 1328 . 1 . 1 108 108 LEU N N 15 114.778 0.000 . . . . . . A 108 LEU N . 30962 1 1329 . 1 . 1 109 109 GLY H H 1 7.872 0.000 . . . . . . A 109 GLY H . 30962 1 1330 . 1 . 1 109 109 GLY HA2 H 1 3.997 0.000 . . . . . . A 109 GLY HA2 . 30962 1 1331 . 1 . 1 109 109 GLY HA3 H 1 3.954 0.000 . . . . . . A 109 GLY HA3 . 30962 1 1332 . 1 . 1 109 109 GLY C C 13 174.853 0.000 . . . . . . A 109 GLY C . 30962 1 1333 . 1 . 1 109 109 GLY CA C 13 46.063 0.000 . . . . . . A 109 GLY CA . 30962 1 1334 . 1 . 1 109 109 GLY N N 15 109.942 0.000 . . . . . . A 109 GLY N . 30962 1 1335 . 1 . 1 110 110 ALA H H 1 8.368 0.000 . . . . . . A 110 ALA H . 30962 1 1336 . 1 . 1 110 110 ALA HA H 1 4.240 0.000 . . . . . . A 110 ALA HA . 30962 1 1337 . 1 . 1 110 110 ALA HB1 H 1 1.423 0.000 . . . . . . A 110 ALA HB1 . 30962 1 1338 . 1 . 1 110 110 ALA HB2 H 1 1.423 0.000 . . . . . . A 110 ALA HB2 . 30962 1 1339 . 1 . 1 110 110 ALA HB3 H 1 1.423 0.000 . . . . . . A 110 ALA HB3 . 30962 1 1340 . 1 . 1 110 110 ALA C C 13 178.113 0.000 . . . . . . A 110 ALA C . 30962 1 1341 . 1 . 1 110 110 ALA CA C 13 53.324 0.000 . . . . . . A 110 ALA CA . 30962 1 1342 . 1 . 1 110 110 ALA CB C 13 18.667 0.000 . . . . . . A 110 ALA CB . 30962 1 1343 . 1 . 1 110 110 ALA N N 15 125.115 0.000 . . . . . . A 110 ALA N . 30962 1 1344 . 1 . 1 111 111 ARG H H 1 7.960 0.000 . . . . . . A 111 ARG H . 30962 1 1345 . 1 . 1 111 111 ARG HA H 1 4.201 0.000 . . . . . . A 111 ARG HA . 30962 1 1346 . 1 . 1 111 111 ARG HB2 H 1 1.887 0.000 . . . . . . A 111 ARG HB2 . 30962 1 1347 . 1 . 1 111 111 ARG HB3 H 1 1.847 0.000 . . . . . . A 111 ARG HB3 . 30962 1 1348 . 1 . 1 111 111 ARG HG2 H 1 1.713 0.000 . . . . . . A 111 ARG HG2 . 30962 1 1349 . 1 . 1 111 111 ARG HG3 H 1 1.648 0.000 . . . . . . A 111 ARG HG3 . 30962 1 1350 . 1 . 1 111 111 ARG HD2 H 1 3.198 0.000 . . . . . . A 111 ARG HD2 . 30962 1 1351 . 1 . 1 111 111 ARG HD3 H 1 3.165 0.000 . . . . . . A 111 ARG HD3 . 30962 1 1352 . 1 . 1 111 111 ARG HE H 1 7.447 0.000 . . . . . . A 111 ARG HE . 30962 1 1353 . 1 . 1 111 111 ARG C C 13 176.490 0.000 . . . . . . A 111 ARG C . 30962 1 1354 . 1 . 1 111 111 ARG CA C 13 56.605 0.000 . . . . . . A 111 ARG CA . 30962 1 1355 . 1 . 1 111 111 ARG CB C 13 30.079 0.000 . . . . . . A 111 ARG CB . 30962 1 1356 . 1 . 1 111 111 ARG CG C 13 27.314 0.000 . . . . . . A 111 ARG CG . 30962 1 1357 . 1 . 1 111 111 ARG CD C 13 43.526 0.000 . . . . . . A 111 ARG CD . 30962 1 1358 . 1 . 1 111 111 ARG N N 15 117.793 0.000 . . . . . . A 111 ARG N . 30962 1 1359 . 1 . 1 111 111 ARG NE N 15 84.630 0.000 . . . . . . A 111 ARG NE . 30962 1 1360 . 1 . 1 112 112 ALA H H 1 7.939 0.000 . . . . . . A 112 ALA H . 30962 1 1361 . 1 . 1 112 112 ALA HA H 1 4.194 0.000 . . . . . . A 112 ALA HA . 30962 1 1362 . 1 . 1 112 112 ALA HB1 H 1 1.338 0.000 . . . . . . A 112 ALA HB1 . 30962 1 1363 . 1 . 1 112 112 ALA HB2 H 1 1.338 0.000 . . . . . . A 112 ALA HB2 . 30962 1 1364 . 1 . 1 112 112 ALA HB3 H 1 1.338 0.000 . . . . . . A 112 ALA HB3 . 30962 1 1365 . 1 . 1 112 112 ALA C C 13 177.428 0.000 . . . . . . A 112 ALA C . 30962 1 1366 . 1 . 1 112 112 ALA CA C 13 52.772 0.000 . . . . . . A 112 ALA CA . 30962 1 1367 . 1 . 1 112 112 ALA CB C 13 18.449 0.000 . . . . . . A 112 ALA CB . 30962 1 1368 . 1 . 1 112 112 ALA N N 15 123.647 0.000 . . . . . . A 112 ALA N . 30962 1 1369 . 1 . 1 113 113 LYS H H 1 8.436 0.000 . . . . . . A 113 LYS H . 30962 1 1370 . 1 . 1 113 113 LYS HA H 1 4.194 0.000 . . . . . . A 113 LYS HA . 30962 1 1371 . 1 . 1 113 113 LYS HB2 H 1 1.812 0.000 . . . . . . A 113 LYS HB2 . 30962 1 1372 . 1 . 1 113 113 LYS HB3 H 1 1.812 0.000 . . . . . . A 113 LYS HB3 . 30962 1 1373 . 1 . 1 113 113 LYS HG2 H 1 1.395 0.000 . . . . . . A 113 LYS HG2 . 30962 1 1374 . 1 . 1 113 113 LYS HG3 H 1 1.425 0.000 . . . . . . A 113 LYS HG3 . 30962 1 1375 . 1 . 1 113 113 LYS HD2 H 1 1.654 0.000 . . . . . . A 113 LYS HD2 . 30962 1 1376 . 1 . 1 113 113 LYS HD3 H 1 1.650 0.000 . . . . . . A 113 LYS HD3 . 30962 1 1377 . 1 . 1 113 113 LYS HE2 H 1 2.980 0.000 . . . . . . A 113 LYS HE2 . 30962 1 1378 . 1 . 1 113 113 LYS HE3 H 1 2.989 0.000 . . . . . . A 113 LYS HE3 . 30962 1 1379 . 1 . 1 113 113 LYS C C 13 177.108 0.000 . . . . . . A 113 LYS C . 30962 1 1380 . 1 . 1 113 113 LYS CA C 13 57.497 0.000 . . . . . . A 113 LYS CA . 30962 1 1381 . 1 . 1 113 113 LYS CB C 13 33.397 0.000 . . . . . . A 113 LYS CB . 30962 1 1382 . 1 . 1 113 113 LYS CG C 13 24.626 0.000 . . . . . . A 113 LYS CG . 30962 1 1383 . 1 . 1 113 113 LYS CD C 13 28.883 0.000 . . . . . . A 113 LYS CD . 30962 1 1384 . 1 . 1 113 113 LYS CE C 13 41.882 0.000 . . . . . . A 113 LYS CE . 30962 1 1385 . 1 . 1 113 113 LYS N N 15 121.185 0.000 . . . . . . A 113 LYS N . 30962 1 1386 . 1 . 1 114 114 GLU H H 1 8.878 0.000 . . . . . . A 114 GLU H . 30962 1 1387 . 1 . 1 114 114 GLU HA H 1 4.205 0.000 . . . . . . A 114 GLU HA . 30962 1 1388 . 1 . 1 114 114 GLU HB2 H 1 1.864 0.000 . . . . . . A 114 GLU HB2 . 30962 1 1389 . 1 . 1 114 114 GLU HB3 H 1 2.056 0.000 . . . . . . A 114 GLU HB3 . 30962 1 1390 . 1 . 1 114 114 GLU HG2 H 1 2.218 0.000 . . . . . . A 114 GLU HG2 . 30962 1 1391 . 1 . 1 114 114 GLU HG3 H 1 2.275 0.000 . . . . . . A 114 GLU HG3 . 30962 1 1392 . 1 . 1 114 114 GLU C C 13 177.687 0.000 . . . . . . A 114 GLU C . 30962 1 1393 . 1 . 1 114 114 GLU CA C 13 57.344 0.000 . . . . . . A 114 GLU CA . 30962 1 1394 . 1 . 1 114 114 GLU CB C 13 29.674 0.000 . . . . . . A 114 GLU CB . 30962 1 1395 . 1 . 1 114 114 GLU CG C 13 36.160 0.000 . . . . . . A 114 GLU CG . 30962 1 1396 . 1 . 1 114 114 GLU N N 15 121.700 0.000 . . . . . . A 114 GLU N . 30962 1 1397 . 1 . 1 115 115 SER H H 1 8.407 0.000 . . . . . . A 115 SER H . 30962 1 1398 . 1 . 1 115 115 SER HA H 1 4.230 0.000 . . . . . . A 115 SER HA . 30962 1 1399 . 1 . 1 115 115 SER HB2 H 1 3.709 0.000 . . . . . . A 115 SER HB2 . 30962 1 1400 . 1 . 1 115 115 SER HB3 H 1 3.789 0.000 . . . . . . A 115 SER HB3 . 30962 1 1401 . 1 . 1 115 115 SER C C 13 174.792 0.000 . . . . . . A 115 SER C . 30962 1 1402 . 1 . 1 115 115 SER CA C 13 59.252 0.000 . . . . . . A 115 SER CA . 30962 1 1403 . 1 . 1 115 115 SER CB C 13 63.373 0.000 . . . . . . A 115 SER CB . 30962 1 1404 . 1 . 1 115 115 SER N N 15 115.836 0.000 . . . . . . A 115 SER N . 30962 1 1405 . 1 . 1 116 116 LEU H H 1 7.873 0.000 . . . . . . A 116 LEU H . 30962 1 1406 . 1 . 1 116 116 LEU HA H 1 4.235 0.000 . . . . . . A 116 LEU HA . 30962 1 1407 . 1 . 1 116 116 LEU HB2 H 1 1.683 0.000 . . . . . . A 116 LEU HB2 . 30962 1 1408 . 1 . 1 116 116 LEU HB3 H 1 1.568 0.000 . . . . . . A 116 LEU HB3 . 30962 1 1409 . 1 . 1 116 116 LEU HG H 1 1.512 0.000 . . . . . . A 116 LEU HG . 30962 1 1410 . 1 . 1 116 116 LEU HD11 H 1 0.813 0.000 . . . . . . A 116 LEU HD11 . 30962 1 1411 . 1 . 1 116 116 LEU HD12 H 1 0.813 0.000 . . . . . . A 116 LEU HD12 . 30962 1 1412 . 1 . 1 116 116 LEU HD13 H 1 0.813 0.000 . . . . . . A 116 LEU HD13 . 30962 1 1413 . 1 . 1 116 116 LEU HD21 H 1 0.869 0.000 . . . . . . A 116 LEU HD21 . 30962 1 1414 . 1 . 1 116 116 LEU HD22 H 1 0.869 0.000 . . . . . . A 116 LEU HD22 . 30962 1 1415 . 1 . 1 116 116 LEU HD23 H 1 0.869 0.000 . . . . . . A 116 LEU HD23 . 30962 1 1416 . 1 . 1 116 116 LEU C C 13 177.473 0.000 . . . . . . A 116 LEU C . 30962 1 1417 . 1 . 1 116 116 LEU CA C 13 55.901 0.000 . . . . . . A 116 LEU CA . 30962 1 1418 . 1 . 1 116 116 LEU CB C 13 41.797 0.000 . . . . . . A 116 LEU CB . 30962 1 1419 . 1 . 1 116 116 LEU CG C 13 26.695 0.000 . . . . . . A 116 LEU CG . 30962 1 1420 . 1 . 1 116 116 LEU CD1 C 13 23.324 0.000 . . . . . . A 116 LEU CD1 . 30962 1 1421 . 1 . 1 116 116 LEU CD2 C 13 25.071 0.000 . . . . . . A 116 LEU CD2 . 30962 1 1422 . 1 . 1 116 116 LEU N N 15 123.226 0.000 . . . . . . A 116 LEU N . 30962 1 1423 . 1 . 1 117 117 ASP H H 1 8.170 0.000 . . . . . . A 117 ASP H . 30962 1 1424 . 1 . 1 117 117 ASP HA H 1 4.579 0.000 . . . . . . A 117 ASP HA . 30962 1 1425 . 1 . 1 117 117 ASP HB2 H 1 2.757 0.000 . . . . . . A 117 ASP HB2 . 30962 1 1426 . 1 . 1 117 117 ASP HB3 H 1 2.589 0.000 . . . . . . A 117 ASP HB3 . 30962 1 1427 . 1 . 1 117 117 ASP C C 13 176.925 0.000 . . . . . . A 117 ASP C . 30962 1 1428 . 1 . 1 117 117 ASP CA C 13 54.613 0.000 . . . . . . A 117 ASP CA . 30962 1 1429 . 1 . 1 117 117 ASP CB C 13 40.783 0.000 . . . . . . A 117 ASP CB . 30962 1 1430 . 1 . 1 117 117 ASP N N 15 120.789 0.000 . . . . . . A 117 ASP N . 30962 1 1431 . 1 . 1 118 118 LEU H H 1 8.148 0.000 . . . . . . A 118 LEU H . 30962 1 1432 . 1 . 1 118 118 LEU HA H 1 4.237 0.000 . . . . . . A 118 LEU HA . 30962 1 1433 . 1 . 1 118 118 LEU HB2 H 1 1.703 0.000 . . . . . . A 118 LEU HB2 . 30962 1 1434 . 1 . 1 118 118 LEU HB3 H 1 1.667 0.000 . . . . . . A 118 LEU HB3 . 30962 1 1435 . 1 . 1 118 118 LEU HG H 1 1.538 0.000 . . . . . . A 118 LEU HG . 30962 1 1436 . 1 . 1 118 118 LEU HD11 H 1 0.929 0.000 . . . . . . A 118 LEU HD11 . 30962 1 1437 . 1 . 1 118 118 LEU HD12 H 1 0.929 0.000 . . . . . . A 118 LEU HD12 . 30962 1 1438 . 1 . 1 118 118 LEU HD13 H 1 0.929 0.000 . . . . . . A 118 LEU HD13 . 30962 1 1439 . 1 . 1 118 118 LEU HD21 H 1 0.871 0.000 . . . . . . A 118 LEU HD21 . 30962 1 1440 . 1 . 1 118 118 LEU HD22 H 1 0.871 0.000 . . . . . . A 118 LEU HD22 . 30962 1 1441 . 1 . 1 118 118 LEU HD23 H 1 0.871 0.000 . . . . . . A 118 LEU HD23 . 30962 1 1442 . 1 . 1 118 118 LEU C C 13 177.946 0.000 . . . . . . A 118 LEU C . 30962 1 1443 . 1 . 1 118 118 LEU CA C 13 56.285 0.000 . . . . . . A 118 LEU CA . 30962 1 1444 . 1 . 1 118 118 LEU CB C 13 41.816 0.000 . . . . . . A 118 LEU CB . 30962 1 1445 . 1 . 1 118 118 LEU CG C 13 26.689 0.000 . . . . . . A 118 LEU CG . 30962 1 1446 . 1 . 1 118 118 LEU CD1 C 13 24.814 0.000 . . . . . . A 118 LEU CD1 . 30962 1 1447 . 1 . 1 118 118 LEU CD2 C 13 23.869 0.000 . . . . . . A 118 LEU CD2 . 30962 1 1448 . 1 . 1 118 118 LEU N N 15 122.986 0.000 . . . . . . A 118 LEU N . 30962 1 1449 . 1 . 1 119 119 ARG H H 1 8.140 0.000 . . . . . . A 119 ARG H . 30962 1 1450 . 1 . 1 119 119 ARG HA H 1 4.149 0.000 . . . . . . A 119 ARG HA . 30962 1 1451 . 1 . 1 119 119 ARG HB2 H 1 2.039 0.000 . . . . . . A 119 ARG HB2 . 30962 1 1452 . 1 . 1 119 119 ARG HB3 H 1 1.870 0.000 . . . . . . A 119 ARG HB3 . 30962 1 1453 . 1 . 1 119 119 ARG HG2 H 1 1.709 0.000 . . . . . . A 119 ARG HG2 . 30962 1 1454 . 1 . 1 119 119 ARG HG3 H 1 1.637 0.000 . . . . . . A 119 ARG HG3 . 30962 1 1455 . 1 . 1 119 119 ARG HD2 H 1 3.231 0.000 . . . . . . A 119 ARG HD2 . 30962 1 1456 . 1 . 1 119 119 ARG HD3 H 1 3.197 0.000 . . . . . . A 119 ARG HD3 . 30962 1 1457 . 1 . 1 119 119 ARG HE H 1 7.493 0.000 . . . . . . A 119 ARG HE . 30962 1 1458 . 1 . 1 119 119 ARG C C 13 175.310 0.000 . . . . . . A 119 ARG C . 30962 1 1459 . 1 . 1 119 119 ARG CA C 13 57.418 0.000 . . . . . . A 119 ARG CA . 30962 1 1460 . 1 . 1 119 119 ARG CB C 13 29.711 0.000 . . . . . . A 119 ARG CB . 30962 1 1461 . 1 . 1 119 119 ARG CG C 13 27.071 0.000 . . . . . . A 119 ARG CG . 30962 1 1462 . 1 . 1 119 119 ARG CD C 13 43.339 0.000 . . . . . . A 119 ARG CD . 30962 1 1463 . 1 . 1 119 119 ARG N N 15 119.101 0.000 . . . . . . A 119 ARG N . 30962 1 1464 . 1 . 1 119 119 ARG NE N 15 84.925 0.000 . . . . . . A 119 ARG NE . 30962 1 1465 . 1 . 1 120 120 ALA H H 1 7.970 0.000 . . . . . . A 120 ALA H . 30962 1 1466 . 1 . 1 120 120 ALA HA H 1 4.149 0.000 . . . . . . A 120 ALA HA . 30962 1 1467 . 1 . 1 120 120 ALA HB1 H 1 1.374 0.000 . . . . . . A 120 ALA HB1 . 30962 1 1468 . 1 . 1 120 120 ALA HB2 H 1 1.374 0.000 . . . . . . A 120 ALA HB2 . 30962 1 1469 . 1 . 1 120 120 ALA HB3 H 1 1.374 0.000 . . . . . . A 120 ALA HB3 . 30962 1 1470 . 1 . 1 120 120 ALA C C 13 178.372 0.000 . . . . . . A 120 ALA C . 30962 1 1471 . 1 . 1 120 120 ALA CA C 13 53.548 0.000 . . . . . . A 120 ALA CA . 30962 1 1472 . 1 . 1 120 120 ALA CB C 13 18.679 0.000 . . . . . . A 120 ALA CB . 30962 1 1473 . 1 . 1 120 120 ALA N N 15 122.451 0.000 . . . . . . A 120 ALA N . 30962 1 1474 . 1 . 1 121 121 HIS H H 1 8.146 0.000 . . . . . . A 121 HIS H . 30962 1 1475 . 1 . 1 121 121 HIS HA H 1 4.540 0.000 . . . . . . A 121 HIS HA . 30962 1 1476 . 1 . 1 121 121 HIS HB2 H 1 3.205 0.000 . . . . . . A 121 HIS HB2 . 30962 1 1477 . 1 . 1 121 121 HIS HB3 H 1 3.131 0.000 . . . . . . A 121 HIS HB3 . 30962 1 1478 . 1 . 1 121 121 HIS HD1 H 1 0.000 0.000 . . . . . . A 121 HIS HD1 . 30962 1 1479 . 1 . 1 121 121 HIS HD2 H 1 7.030 0.000 . . . . . . A 121 HIS HD2 . 30962 1 1480 . 1 . 1 121 121 HIS HE1 H 1 8.040 0.000 . . . . . . A 121 HIS HE1 . 30962 1 1481 . 1 . 1 121 121 HIS C C 13 175.752 0.000 . . . . . . A 121 HIS C . 30962 1 1482 . 1 . 1 121 121 HIS CA C 13 56.803 0.000 . . . . . . A 121 HIS CA . 30962 1 1483 . 1 . 1 121 121 HIS CB C 13 30.053 0.000 . . . . . . A 121 HIS CB . 30962 1 1484 . 1 . 1 121 121 HIS CD2 C 13 119.600 0.000 . . . . . . A 121 HIS CD2 . 30962 1 1485 . 1 . 1 121 121 HIS CE1 C 13 137.900 0.000 . . . . . . A 121 HIS CE1 . 30962 1 1486 . 1 . 1 121 121 HIS N N 15 117.341 0.000 . . . . . . A 121 HIS N . 30962 1 1487 . 1 . 1 122 122 LEU H H 1 7.965 0.000 . . . . . . A 122 LEU H . 30962 1 1488 . 1 . 1 122 122 LEU HA H 1 4.235 0.000 . . . . . . A 122 LEU HA . 30962 1 1489 . 1 . 1 122 122 LEU HB2 H 1 1.667 0.000 . . . . . . A 122 LEU HB2 . 30962 1 1490 . 1 . 1 122 122 LEU HB3 H 1 1.507 0.000 . . . . . . A 122 LEU HB3 . 30962 1 1491 . 1 . 1 122 122 LEU HG H 1 1.517 0.000 . . . . . . A 122 LEU HG . 30962 1 1492 . 1 . 1 122 122 LEU HD11 H 1 0.890 0.000 . . . . . . A 122 LEU HD11 . 30962 1 1493 . 1 . 1 122 122 LEU HD12 H 1 0.890 0.000 . . . . . . A 122 LEU HD12 . 30962 1 1494 . 1 . 1 122 122 LEU HD13 H 1 0.890 0.000 . . . . . . A 122 LEU HD13 . 30962 1 1495 . 1 . 1 122 122 LEU HD21 H 1 0.829 0.000 . . . . . . A 122 LEU HD21 . 30962 1 1496 . 1 . 1 122 122 LEU HD22 H 1 0.829 0.000 . . . . . . A 122 LEU HD22 . 30962 1 1497 . 1 . 1 122 122 LEU HD23 H 1 0.829 0.000 . . . . . . A 122 LEU HD23 . 30962 1 1498 . 1 . 1 122 122 LEU C C 13 177.352 0.000 . . . . . . A 122 LEU C . 30962 1 1499 . 1 . 1 122 122 LEU CA C 13 55.408 0.000 . . . . . . A 122 LEU CA . 30962 1 1500 . 1 . 1 122 122 LEU CB C 13 42.038 0.000 . . . . . . A 122 LEU CB . 30962 1 1501 . 1 . 1 122 122 LEU CG C 13 26.652 0.000 . . . . . . A 122 LEU CG . 30962 1 1502 . 1 . 1 122 122 LEU CD1 C 13 25.284 0.000 . . . . . . A 122 LEU CD1 . 30962 1 1503 . 1 . 1 122 122 LEU CD2 C 13 23.056 0.000 . . . . . . A 122 LEU CD2 . 30962 1 1504 . 1 . 1 122 122 LEU N N 15 121.373 0.000 . . . . . . A 122 LEU N . 30962 1 1505 . 1 . 1 123 123 LYS H H 1 8.029 0.000 . . . . . . A 123 LYS H . 30962 1 1506 . 1 . 1 123 123 LYS HA H 1 4.250 0.000 . . . . . . A 123 LYS HA . 30962 1 1507 . 1 . 1 123 123 LYS HB2 H 1 1.829 0.000 . . . . . . A 123 LYS HB2 . 30962 1 1508 . 1 . 1 123 123 LYS HB3 H 1 1.723 0.000 . . . . . . A 123 LYS HB3 . 30962 1 1509 . 1 . 1 123 123 LYS HG2 H 1 1.471 0.000 . . . . . . A 123 LYS HG2 . 30962 1 1510 . 1 . 1 123 123 LYS HG3 H 1 1.384 0.000 . . . . . . A 123 LYS HG3 . 30962 1 1511 . 1 . 1 123 123 LYS HD2 H 1 1.623 0.000 . . . . . . A 123 LYS HD2 . 30962 1 1512 . 1 . 1 123 123 LYS HD3 H 1 1.660 0.000 . . . . . . A 123 LYS HD3 . 30962 1 1513 . 1 . 1 123 123 LYS HE2 H 1 3.017 0.000 . . . . . . A 123 LYS HE2 . 30962 1 1514 . 1 . 1 123 123 LYS HE3 H 1 2.890 0.000 . . . . . . A 123 LYS HE3 . 30962 1 1515 . 1 . 1 123 123 LYS C C 13 176.460 0.000 . . . . . . A 123 LYS C . 30962 1 1516 . 1 . 1 123 123 LYS CA C 13 56.491 0.000 . . . . . . A 123 LYS CA . 30962 1 1517 . 1 . 1 123 123 LYS CB C 13 32.713 0.000 . . . . . . A 123 LYS CB . 30962 1 1518 . 1 . 1 123 123 LYS CG C 13 24.729 0.000 . . . . . . A 123 LYS CG . 30962 1 1519 . 1 . 1 123 123 LYS CD C 13 28.974 0.000 . . . . . . A 123 LYS CD . 30962 1 1520 . 1 . 1 123 123 LYS CE C 13 41.986 0.000 . . . . . . A 123 LYS CE . 30962 1 1521 . 1 . 1 123 123 LYS N N 15 120.973 0.000 . . . . . . A 123 LYS N . 30962 1 1522 . 1 . 1 124 124 GLN H H 1 8.193 0.000 . . . . . . A 124 GLN H . 30962 1 1523 . 1 . 1 124 124 GLN HA H 1 4.328 0.000 . . . . . . A 124 GLN HA . 30962 1 1524 . 1 . 1 124 124 GLN HB2 H 1 2.066 0.000 . . . . . . A 124 GLN HB2 . 30962 1 1525 . 1 . 1 124 124 GLN HB3 H 1 1.975 0.000 . . . . . . A 124 GLN HB3 . 30962 1 1526 . 1 . 1 124 124 GLN HG2 H 1 2.378 0.000 . . . . . . A 124 GLN HG2 . 30962 1 1527 . 1 . 1 124 124 GLN HG3 H 1 2.321 0.000 . . . . . . A 124 GLN HG3 . 30962 1 1528 . 1 . 1 124 124 GLN HE21 H 1 7.539 0.000 . . . . . . A 124 GLN HE21 . 30962 1 1529 . 1 . 1 124 124 GLN HE22 H 1 6.883 0.000 . . . . . . A 124 GLN HE22 . 30962 1 1530 . 1 . 1 124 124 GLN C C 13 175.783 0.000 . . . . . . A 124 GLN C . 30962 1 1531 . 1 . 1 124 124 GLN CA C 13 55.701 0.000 . . . . . . A 124 GLN CA . 30962 1 1532 . 1 . 1 124 124 GLN CB C 13 29.409 0.000 . . . . . . A 124 GLN CB . 30962 1 1533 . 1 . 1 124 124 GLN CG C 13 33.735 0.000 . . . . . . A 124 GLN CG . 30962 1 1534 . 1 . 1 124 124 GLN N N 15 121.311 0.000 . . . . . . A 124 GLN N . 30962 1 1535 . 1 . 1 124 124 GLN NE2 N 15 112.679 0.000 . . . . . . A 124 GLN NE2 . 30962 1 1536 . 1 . 1 125 125 VAL H H 1 8.144 0.000 . . . . . . A 125 VAL H . 30962 1 1537 . 1 . 1 125 125 VAL HA H 1 4.062 0.000 . . . . . . A 125 VAL HA . 30962 1 1538 . 1 . 1 125 125 VAL HB H 1 2.032 0.000 . . . . . . A 125 VAL HB . 30962 1 1539 . 1 . 1 125 125 VAL HG11 H 1 0.894 0.000 . . . . . . A 125 VAL HG11 . 30962 1 1540 . 1 . 1 125 125 VAL HG12 H 1 0.894 0.000 . . . . . . A 125 VAL HG12 . 30962 1 1541 . 1 . 1 125 125 VAL HG13 H 1 0.894 0.000 . . . . . . A 125 VAL HG13 . 30962 1 1542 . 1 . 1 125 125 VAL HG21 H 1 0.913 0.000 . . . . . . A 125 VAL HG21 . 30962 1 1543 . 1 . 1 125 125 VAL HG22 H 1 0.913 0.000 . . . . . . A 125 VAL HG22 . 30962 1 1544 . 1 . 1 125 125 VAL HG23 H 1 0.913 0.000 . . . . . . A 125 VAL HG23 . 30962 1 1545 . 1 . 1 125 125 VAL C C 13 175.690 0.000 . . . . . . A 125 VAL C . 30962 1 1546 . 1 . 1 125 125 VAL CA C 13 62.215 0.000 . . . . . . A 125 VAL CA . 30962 1 1547 . 1 . 1 125 125 VAL CB C 13 32.696 0.000 . . . . . . A 125 VAL CB . 30962 1 1548 . 1 . 1 125 125 VAL CG1 C 13 21.046 0.000 . . . . . . A 125 VAL CG1 . 30962 1 1549 . 1 . 1 125 125 VAL CG2 C 13 20.532 0.000 . . . . . . A 125 VAL CG2 . 30962 1 1550 . 1 . 1 125 125 VAL N N 15 122.083 0.000 . . . . . . A 125 VAL N . 30962 1 1551 . 1 . 1 126 126 LYS H H 1 8.371 0.000 . . . . . . A 126 LYS H . 30962 1 1552 . 1 . 1 126 126 LYS HA H 1 4.315 0.000 . . . . . . A 126 LYS HA . 30962 1 1553 . 1 . 1 126 126 LYS HB2 H 1 1.792 0.000 . . . . . . A 126 LYS HB2 . 30962 1 1554 . 1 . 1 126 126 LYS HB3 H 1 1.731 0.000 . . . . . . A 126 LYS HB3 . 30962 1 1555 . 1 . 1 126 126 LYS HG2 H 1 1.411 0.000 . . . . . . A 126 LYS HG2 . 30962 1 1556 . 1 . 1 126 126 LYS HG3 H 1 1.367 0.000 . . . . . . A 126 LYS HG3 . 30962 1 1557 . 1 . 1 126 126 LYS HD2 H 1 1.622 0.000 . . . . . . A 126 LYS HD2 . 30962 1 1558 . 1 . 1 126 126 LYS HD3 H 1 1.648 0.000 . . . . . . A 126 LYS HD3 . 30962 1 1559 . 1 . 1 126 126 LYS HE2 H 1 2.930 0.000 . . . . . . A 126 LYS HE2 . 30962 1 1560 . 1 . 1 126 126 LYS HE3 H 1 2.930 0.000 . . . . . . A 126 LYS HE3 . 30962 1 1561 . 1 . 1 126 126 LYS C C 13 175.859 0.000 . . . . . . A 126 LYS C . 30962 1 1562 . 1 . 1 126 126 LYS CA C 13 55.942 0.000 . . . . . . A 126 LYS CA . 30962 1 1563 . 1 . 1 126 126 LYS CB C 13 33.206 0.000 . . . . . . A 126 LYS CB . 30962 1 1564 . 1 . 1 126 126 LYS CG C 13 24.440 0.000 . . . . . . A 126 LYS CG . 30962 1 1565 . 1 . 1 126 126 LYS CD C 13 29.001 0.000 . . . . . . A 126 LYS CD . 30962 1 1566 . 1 . 1 126 126 LYS CE C 13 41.780 0.000 . . . . . . A 126 LYS CE . 30962 1 1567 . 1 . 1 126 126 LYS N N 15 126.060 0.000 . . . . . . A 126 LYS N . 30962 1 1568 . 1 . 1 127 127 LYS H H 1 8.459 0.000 . . . . . . A 127 LYS H . 30962 1 1569 . 1 . 1 127 127 LYS HA H 1 4.310 0.000 . . . . . . A 127 LYS HA . 30962 1 1570 . 1 . 1 127 127 LYS HB2 H 1 1.827 0.000 . . . . . . A 127 LYS HB2 . 30962 1 1571 . 1 . 1 127 127 LYS HB3 H 1 1.731 0.000 . . . . . . A 127 LYS HB3 . 30962 1 1572 . 1 . 1 127 127 LYS HG2 H 1 1.453 0.000 . . . . . . A 127 LYS HG2 . 30962 1 1573 . 1 . 1 127 127 LYS HG3 H 1 1.373 0.000 . . . . . . A 127 LYS HG3 . 30962 1 1574 . 1 . 1 127 127 LYS HD2 H 1 1.644 0.000 . . . . . . A 127 LYS HD2 . 30962 1 1575 . 1 . 1 127 127 LYS HD3 H 1 1.710 0.000 . . . . . . A 127 LYS HD3 . 30962 1 1576 . 1 . 1 127 127 LYS HE2 H 1 2.964 0.000 . . . . . . A 127 LYS HE2 . 30962 1 1577 . 1 . 1 127 127 LYS HE3 H 1 3.000 0.000 . . . . . . A 127 LYS HE3 . 30962 1 1578 . 1 . 1 127 127 LYS C C 13 176.133 0.000 . . . . . . A 127 LYS C . 30962 1 1579 . 1 . 1 127 127 LYS CA C 13 56.251 0.000 . . . . . . A 127 LYS CA . 30962 1 1580 . 1 . 1 127 127 LYS CB C 13 33.069 0.000 . . . . . . A 127 LYS CB . 30962 1 1581 . 1 . 1 127 127 LYS CG C 13 24.525 0.000 . . . . . . A 127 LYS CG . 30962 1 1582 . 1 . 1 127 127 LYS CD C 13 28.913 0.000 . . . . . . A 127 LYS CD . 30962 1 1583 . 1 . 1 127 127 LYS CE C 13 41.719 0.000 . . . . . . A 127 LYS CE . 30962 1 1584 . 1 . 1 127 127 LYS N N 15 124.929 0.000 . . . . . . A 127 LYS N . 30962 1 1585 . 1 . 1 128 128 GLU H H 1 8.526 0.000 . . . . . . A 128 GLU H . 30962 1 1586 . 1 . 1 128 128 GLU HA H 1 4.339 0.000 . . . . . . A 128 GLU HA . 30962 1 1587 . 1 . 1 128 128 GLU HB2 H 1 1.878 0.000 . . . . . . A 128 GLU HB2 . 30962 1 1588 . 1 . 1 128 128 GLU HB3 H 1 2.096 0.000 . . . . . . A 128 GLU HB3 . 30962 1 1589 . 1 . 1 128 128 GLU HG2 H 1 2.332 0.000 . . . . . . A 128 GLU HG2 . 30962 1 1590 . 1 . 1 128 128 GLU HG3 H 1 2.244 0.000 . . . . . . A 128 GLU HG3 . 30962 1 1591 . 1 . 1 128 128 GLU C C 13 175.036 0.000 . . . . . . A 128 GLU C . 30962 1 1592 . 1 . 1 128 128 GLU CA C 13 56.220 0.000 . . . . . . A 128 GLU CA . 30962 1 1593 . 1 . 1 128 128 GLU CB C 13 30.501 0.000 . . . . . . A 128 GLU CB . 30962 1 1594 . 1 . 1 128 128 GLU CG C 13 36.001 0.000 . . . . . . A 128 GLU CG . 30962 1 1595 . 1 . 1 128 128 GLU N N 15 123.651 0.000 . . . . . . A 128 GLU N . 30962 1 1596 . 1 . 1 129 129 ASP H H 1 8.017 0.000 . . . . . . A 129 ASP H . 30962 1 1597 . 1 . 1 129 129 ASP HA H 1 4.340 0.000 . . . . . . A 129 ASP HA . 30962 1 1598 . 1 . 1 129 129 ASP HB2 H 1 2.552 0.000 . . . . . . A 129 ASP HB2 . 30962 1 1599 . 1 . 1 129 129 ASP HB3 H 1 2.630 0.000 . . . . . . A 129 ASP HB3 . 30962 1 1600 . 1 . 1 129 129 ASP CA C 13 55.800 0.000 . . . . . . A 129 ASP CA . 30962 1 1601 . 1 . 1 129 129 ASP CB C 13 42.080 0.000 . . . . . . A 129 ASP CB . 30962 1 1602 . 1 . 1 129 129 ASP N N 15 127.232 0.000 . . . . . . A 129 ASP N . 30962 1 1603 . 2 . 2 1 1 BQ6 H H 1 6.711 0.000 . . . . . . A 201 BQ6 H . 30962 1 1604 . 2 . 2 1 1 BQ6 H04 H 1 7.223 0.000 . . . . . . A 201 BQ6 H04 . 30962 1 1605 . 2 . 2 1 1 BQ6 H44 H 1 2.374 0.000 . . . . . . A 201 BQ6 H44 . 30962 1 1606 . 2 . 2 1 1 BQ6 H45 H 1 2.556 0.000 . . . . . . A 201 BQ6 H45 . 30962 1 1607 . 2 . 2 1 1 BQ6 H33 H 1 3.091 0.000 . . . . . . A 201 BQ6 H33 . 30962 1 1608 . 2 . 2 1 1 BQ6 H51 H 1 3.652 0.000 . . . . . . A 201 BQ6 H51 . 30962 1 1609 . 2 . 2 1 1 BQ6 H52 H 1 4.389 0.000 . . . . . . A 201 BQ6 H52 . 30962 1 1610 . 2 . 2 1 1 BQ6 H10 H 1 6.876 0.000 . . . . . . A 201 BQ6 H10 . 30962 1 1611 . 2 . 2 1 1 BQ6 H16 H 1 4.601 0.000 . . . . . . A 201 BQ6 H16 . 30962 1 1612 . 2 . 2 1 1 BQ6 H17 H 1 4.447 0.000 . . . . . . A 201 BQ6 H17 . 30962 1 1613 . 2 . 2 1 1 BQ6 H25 H 1 3.899 0.000 . . . . . . A 201 BQ6 H25 . 30962 1 1614 . 2 . 2 1 1 BQ6 H24 H 1 4.134 0.000 . . . . . . A 201 BQ6 H24 . 30962 1 1615 . 2 . 2 1 1 BQ6 Q10 H 1 2.396 0.000 . . . . . . A 201 BQ6 Q10 . 30962 1 1616 . 2 . 2 1 1 BQ6 Q20 H 1 1.667 0.000 . . . . . . A 201 BQ6 Q20 . 30962 1 stop_ save_