data_30801 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30801 _Entry.Title ; NMR solution structures of tirasemtiv drug bound to a fast skeletal troponin C-troponin I complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-09-30 _Entry.Accession_date 2020-09-30 _Entry.Last_release_date 2020-10-06 _Entry.Original_release_date 2020-10-06 _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 P. Mercier P. . . . 30801 2 M. Li M. X. . . 30801 3 J. Hartman J. J. . . 30801 4 B. Sykes B. D. . . 30801 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Activator . 30801 'CONTRACTILE PROTEIN' . 30801 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30801 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 440 30801 '15N chemical shifts' 145 30801 '1H chemical shifts' 887 30801 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 . . 2021-09-21 2020-09-30 update BMRB 'update entry citation' 30801 1 . . 2021-03-19 2020-09-30 original author 'original release' 30801 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7KAA 'BMRB Entry Tracking System' 30801 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30801 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33703886 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural Basis of Tirasemtiv Activation of Fast Skeletal Muscle ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Med. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 64 _Citation.Journal_issue 6 _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 3026 _Citation.Page_last 3034 _Citation.Year 2021 _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 M. Li M. X. . . 30801 1 2 P. Mercier P. . . . 30801 1 3 J. Hartman J. J. . . 30801 1 4 B. Sykes B. D. . . 30801 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30801 _Assembly.ID 1 _Assembly.Name 'Troponin C, skeletal muscle,Troponin I, fast skeletal muscle chimera' _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 . . . . . . 30801 1 2 unit_2 2 $entity_CA B A no . . . . . . 30801 1 3 unit_3 3 $entity_W97 C A no . . . . . . 30801 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30801 _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 ; MASMTDQQAEARSYLSEEMI AEFKAAFDMFDADGGGDISV KELGTVMRMLGQTPTKEELD AIIEEVDEDGSGTIDFEEFL VMMVRQMKEDAGGAGGKLFD LRGKFKRPPLRRVRMSADAM LKALLGSKHKVCMDLRANLK QVKKEDHHHHHH ; _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 152 _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 17096.639 _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 'Troponin I' common 30801 1 'fast-twitch isoform' common 30801 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 . MET . 30801 1 2 . ALA . 30801 1 3 . SER . 30801 1 4 . MET . 30801 1 5 . THR . 30801 1 6 . ASP . 30801 1 7 . GLN . 30801 1 8 . GLN . 30801 1 9 . ALA . 30801 1 10 . GLU . 30801 1 11 . ALA . 30801 1 12 . ARG . 30801 1 13 . SER . 30801 1 14 . TYR . 30801 1 15 . LEU . 30801 1 16 . SER . 30801 1 17 . GLU . 30801 1 18 . GLU . 30801 1 19 . MET . 30801 1 20 . ILE . 30801 1 21 . ALA . 30801 1 22 . GLU . 30801 1 23 . PHE . 30801 1 24 . LYS . 30801 1 25 . ALA . 30801 1 26 . ALA . 30801 1 27 . PHE . 30801 1 28 . ASP . 30801 1 29 . MET . 30801 1 30 . PHE . 30801 1 31 . ASP . 30801 1 32 . ALA . 30801 1 33 . ASP . 30801 1 34 . GLY . 30801 1 35 . GLY . 30801 1 36 . GLY . 30801 1 37 . ASP . 30801 1 38 . ILE . 30801 1 39 . SER . 30801 1 40 . VAL . 30801 1 41 . LYS . 30801 1 42 . GLU . 30801 1 43 . LEU . 30801 1 44 . GLY . 30801 1 45 . THR . 30801 1 46 . VAL . 30801 1 47 . MET . 30801 1 48 . ARG . 30801 1 49 . MET . 30801 1 50 . LEU . 30801 1 51 . GLY . 30801 1 52 . GLN . 30801 1 53 . THR . 30801 1 54 . PRO . 30801 1 55 . THR . 30801 1 56 . LYS . 30801 1 57 . GLU . 30801 1 58 . GLU . 30801 1 59 . LEU . 30801 1 60 . ASP . 30801 1 61 . ALA . 30801 1 62 . ILE . 30801 1 63 . ILE . 30801 1 64 . GLU . 30801 1 65 . GLU . 30801 1 66 . VAL . 30801 1 67 . ASP . 30801 1 68 . GLU . 30801 1 69 . ASP . 30801 1 70 . GLY . 30801 1 71 . SER . 30801 1 72 . GLY . 30801 1 73 . THR . 30801 1 74 . ILE . 30801 1 75 . ASP . 30801 1 76 . PHE . 30801 1 77 . GLU . 30801 1 78 . GLU . 30801 1 79 . PHE . 30801 1 80 . LEU . 30801 1 81 . VAL . 30801 1 82 . MET . 30801 1 83 . MET . 30801 1 84 . VAL . 30801 1 85 . ARG . 30801 1 86 . GLN . 30801 1 87 . MET . 30801 1 88 . LYS . 30801 1 89 . GLU . 30801 1 90 . ASP . 30801 1 91 . ALA . 30801 1 92 . GLY . 30801 1 93 . GLY . 30801 1 94 . ALA . 30801 1 95 . GLY . 30801 1 96 . GLY . 30801 1 97 . LYS . 30801 1 98 . LEU . 30801 1 99 . PHE . 30801 1 100 . ASP . 30801 1 101 . LEU . 30801 1 102 . ARG . 30801 1 103 . GLY . 30801 1 104 . LYS . 30801 1 105 . PHE . 30801 1 106 . LYS . 30801 1 107 . ARG . 30801 1 108 . PRO . 30801 1 109 . PRO . 30801 1 110 . LEU . 30801 1 111 . ARG . 30801 1 112 . ARG . 30801 1 113 . VAL . 30801 1 114 . ARG . 30801 1 115 . MET . 30801 1 116 . SER . 30801 1 117 . ALA . 30801 1 118 . ASP . 30801 1 119 . ALA . 30801 1 120 . MET . 30801 1 121 . LEU . 30801 1 122 . LYS . 30801 1 123 . ALA . 30801 1 124 . LEU . 30801 1 125 . LEU . 30801 1 126 . GLY . 30801 1 127 . SER . 30801 1 128 . LYS . 30801 1 129 . HIS . 30801 1 130 . LYS . 30801 1 131 . VAL . 30801 1 132 . CYS . 30801 1 133 . MET . 30801 1 134 . ASP . 30801 1 135 . LEU . 30801 1 136 . ARG . 30801 1 137 . ALA . 30801 1 138 . ASN . 30801 1 139 . LEU . 30801 1 140 . LYS . 30801 1 141 . GLN . 30801 1 142 . VAL . 30801 1 143 . LYS . 30801 1 144 . LYS . 30801 1 145 . GLU . 30801 1 146 . ASP . 30801 1 147 . HIS . 30801 1 148 . HIS . 30801 1 149 . HIS . 30801 1 150 . HIS . 30801 1 151 . HIS . 30801 1 152 . HIS . 30801 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 . MET 1 1 30801 1 . ALA 2 2 30801 1 . SER 3 3 30801 1 . MET 4 4 30801 1 . THR 5 5 30801 1 . ASP 6 6 30801 1 . GLN 7 7 30801 1 . GLN 8 8 30801 1 . ALA 9 9 30801 1 . GLU 10 10 30801 1 . ALA 11 11 30801 1 . ARG 12 12 30801 1 . SER 13 13 30801 1 . TYR 14 14 30801 1 . LEU 15 15 30801 1 . SER 16 16 30801 1 . GLU 17 17 30801 1 . GLU 18 18 30801 1 . MET 19 19 30801 1 . ILE 20 20 30801 1 . ALA 21 21 30801 1 . GLU 22 22 30801 1 . PHE 23 23 30801 1 . LYS 24 24 30801 1 . ALA 25 25 30801 1 . ALA 26 26 30801 1 . PHE 27 27 30801 1 . ASP 28 28 30801 1 . MET 29 29 30801 1 . PHE 30 30 30801 1 . ASP 31 31 30801 1 . ALA 32 32 30801 1 . ASP 33 33 30801 1 . GLY 34 34 30801 1 . GLY 35 35 30801 1 . GLY 36 36 30801 1 . ASP 37 37 30801 1 . ILE 38 38 30801 1 . SER 39 39 30801 1 . VAL 40 40 30801 1 . LYS 41 41 30801 1 . GLU 42 42 30801 1 . LEU 43 43 30801 1 . GLY 44 44 30801 1 . THR 45 45 30801 1 . VAL 46 46 30801 1 . MET 47 47 30801 1 . ARG 48 48 30801 1 . MET 49 49 30801 1 . LEU 50 50 30801 1 . GLY 51 51 30801 1 . GLN 52 52 30801 1 . THR 53 53 30801 1 . PRO 54 54 30801 1 . THR 55 55 30801 1 . LYS 56 56 30801 1 . GLU 57 57 30801 1 . GLU 58 58 30801 1 . LEU 59 59 30801 1 . ASP 60 60 30801 1 . ALA 61 61 30801 1 . ILE 62 62 30801 1 . ILE 63 63 30801 1 . GLU 64 64 30801 1 . GLU 65 65 30801 1 . VAL 66 66 30801 1 . ASP 67 67 30801 1 . GLU 68 68 30801 1 . ASP 69 69 30801 1 . GLY 70 70 30801 1 . SER 71 71 30801 1 . GLY 72 72 30801 1 . THR 73 73 30801 1 . ILE 74 74 30801 1 . ASP 75 75 30801 1 . PHE 76 76 30801 1 . GLU 77 77 30801 1 . GLU 78 78 30801 1 . PHE 79 79 30801 1 . LEU 80 80 30801 1 . VAL 81 81 30801 1 . MET 82 82 30801 1 . MET 83 83 30801 1 . VAL 84 84 30801 1 . ARG 85 85 30801 1 . GLN 86 86 30801 1 . MET 87 87 30801 1 . LYS 88 88 30801 1 . GLU 89 89 30801 1 . ASP 90 90 30801 1 . ALA 91 91 30801 1 . GLY 92 92 30801 1 . GLY 93 93 30801 1 . ALA 94 94 30801 1 . GLY 95 95 30801 1 . GLY 96 96 30801 1 . LYS 97 97 30801 1 . LEU 98 98 30801 1 . PHE 99 99 30801 1 . ASP 100 100 30801 1 . LEU 101 101 30801 1 . ARG 102 102 30801 1 . GLY 103 103 30801 1 . LYS 104 104 30801 1 . PHE 105 105 30801 1 . LYS 106 106 30801 1 . ARG 107 107 30801 1 . PRO 108 108 30801 1 . PRO 109 109 30801 1 . LEU 110 110 30801 1 . ARG 111 111 30801 1 . ARG 112 112 30801 1 . VAL 113 113 30801 1 . ARG 114 114 30801 1 . MET 115 115 30801 1 . SER 116 116 30801 1 . ALA 117 117 30801 1 . ASP 118 118 30801 1 . ALA 119 119 30801 1 . MET 120 120 30801 1 . LEU 121 121 30801 1 . LYS 122 122 30801 1 . ALA 123 123 30801 1 . LEU 124 124 30801 1 . LEU 125 125 30801 1 . GLY 126 126 30801 1 . SER 127 127 30801 1 . LYS 128 128 30801 1 . HIS 129 129 30801 1 . LYS 130 130 30801 1 . VAL 131 131 30801 1 . CYS 132 132 30801 1 . MET 133 133 30801 1 . ASP 134 134 30801 1 . LEU 135 135 30801 1 . ARG 136 136 30801 1 . ALA 137 137 30801 1 . ASN 138 138 30801 1 . LEU 139 139 30801 1 . LYS 140 140 30801 1 . GLN 141 141 30801 1 . VAL 142 142 30801 1 . LYS 143 143 30801 1 . LYS 144 144 30801 1 . GLU 145 145 30801 1 . ASP 146 146 30801 1 . HIS 147 147 30801 1 . HIS 148 148 30801 1 . HIS 149 149 30801 1 . HIS 150 150 30801 1 . HIS 151 151 30801 1 . HIS 152 152 30801 1 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 30801 _Entity.ID 2 _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 2 _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 30801 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 30801 2 CA 'Three letter code' 30801 2 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 30801 2 stop_ save_ save_entity_W97 _Entity.Sf_category entity _Entity.Sf_framecode entity_W97 _Entity.Entry_ID 30801 _Entity.ID 3 _Entity.BMRB_code W97 _Entity.Name entity_W97 _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 W97 _Entity.Nonpolymer_comp_label $chem_comp_W97 _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 230.266 _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 6-ethynyl-1-(pentan-3-yl)-1,3-dihydro-2H-imidazo[4,5-b]pyrazin-2-one BMRB 30801 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 6-ethynyl-1-(pentan-3-yl)-1,3-dihydro-2H-imidazo[4,5-b]pyrazin-2-one BMRB 30801 3 W97 'Three letter code' 30801 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 W97 $chem_comp_W97 30801 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 30801 _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 . . . . . . . . . . . 'TNNC2, TNNI2' . 30801 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 30801 _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' . . 562 Escherichia coli . . . . . . . . . . 30801 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 30801 _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 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _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 . _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 30801 CA InChI=1S/Ca/q+2 InChI InChI 1.03 30801 CA [Ca++] SMILES CACTVS 3.341 30801 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 30801 CA [Ca+2] SMILES ACDLabs 10.04 30801 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 30801 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 30801 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 30801 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 30801 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 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 30801 CA stop_ save_ save_chem_comp_W97 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_W97 _Chem_comp.Entry_ID 30801 _Chem_comp.ID W97 _Chem_comp.Provenance PDB _Chem_comp.Name 6-ethynyl-1-(pentan-3-yl)-1,3-dihydro-2H-imidazo[4,5-b]pyrazin-2-one _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code W97 _Chem_comp.PDB_code W97 _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-10-01 _Chem_comp.Modified_date 2020-10-01 _Chem_comp.Release_status HOLD _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code W97 _Chem_comp.Number_atoms_all 31 _Chem_comp.Number_atoms_nh 17 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C12H14N4O/c1-4-8-7-13-10-11(14-8)16(12(17)15-10)9(5-2)6-3/h1,7,9H,5-6H2,2-3H3,(H,13,15,17) _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C12 H14 N4 O' _Chem_comp.Formula_weight 230.266 _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 Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 7KAA _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 C#Cc1cnc2c(n1)N(C(N2)=O)C(CC)CC SMILES ACDLabs 12.01 30801 W97 CCC(CC)N1C(=O)Nc2ncc(nc12)C#C SMILES CACTVS 3.385 30801 W97 CCC(CC)N1C(=O)Nc2ncc(nc12)C#C SMILES_CANONICAL CACTVS 3.385 30801 W97 CCC(CC)N1c2c(ncc(n2)C#C)NC1=O SMILES 'OpenEye OEToolkits' 2.0.7 30801 W97 CCC(CC)N1c2c(ncc(n2)C#C)NC1=O SMILES_CANONICAL 'OpenEye OEToolkits' 2.0.7 30801 W97 InChI=1S/C12H14N4O/c1-4-8-7-13-10-11(14-8)16(12(17)15-10)9(5-2)6-3/h1,7,9H,5-6H2,2-3H3,(H,13,15,17) InChI InChI 1.03 30801 W97 RSQGZEAXODVTOL-UHFFFAOYSA-N InChIKey InChI 1.03 30801 W97 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 5-ethynyl-3-pentan-3-yl-1~{H}-imidazo[4,5-b]pyrazin-2-one 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 2.0.7 30801 W97 6-ethynyl-1-(pentan-3-yl)-1,3-dihydro-2H-imidazo[4,5-b]pyrazin-2-one 'SYSTEMATIC NAME' ACDLabs 12.01 30801 W97 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 CAA CAA CAA C1 . C . . N 0 . . . 1 no no . . . . 18.225 . -1.109 . -20.847 . -4.609 -1.907 0.001 1 . 30801 W97 CAB CAB CAB C2 . C . . N 0 . . . 1 no no . . . . 17.689 . -0.075 . -20.934 . -3.719 -1.141 0.000 2 . 30801 W97 CAC CAC CAC C3 . C . . N 0 . . . 1 yes no . . . . 17.039 . 1.190 . -21.036 . -2.635 -0.206 -0.001 3 . 30801 W97 CAE CAE CAE C4 . C . . N 0 . . . 1 yes no . . . . 17.122 . 3.469 . -21.541 . -0.379 0.221 -0.001 4 . 30801 W97 CAF CAF CAF C5 . C . . N 0 . . . 1 yes no . . . . 15.817 . 3.624 . -21.199 . -0.646 1.598 -0.003 5 . 30801 W97 CAH CAH CAH C6 . C . . N 0 . . . 1 yes no . . . . 15.708 . 1.320 . -20.689 . -2.895 1.165 0.002 6 . 30801 W97 CAJ CAJ CAJ C7 . C . . N 0 . . . 1 no no . . . . 16.589 . 5.517 . -21.805 . 1.552 1.311 -0.002 7 . 30801 W97 CAM CAM CAM C8 . C . . N 0 . . . 1 no no . . . . 18.968 . 4.943 . -22.354 . 1.736 -1.186 0.002 8 . 30801 W97 CAN CAN CAN C9 . C . . N 0 . . . 1 no no . . . . 19.454 . 6.293 . -21.801 . 2.616 -1.268 -1.247 9 . 30801 W97 CAO CAO CAO C10 . C . . N 0 . . . 1 no no . . . . 19.049 . 4.951 . -23.887 . 2.616 -1.263 1.251 10 . 30801 W97 CAP CAP CAP C11 . C . . N 0 . . . 1 no no . . . . 20.898 . 6.557 . -22.238 . 1.729 -1.316 -2.493 11 . 30801 W97 CAQ CAQ CAQ C12 . C . . N 0 . . . 1 no no . . . . 18.555 . 3.610 . -24.434 . 1.729 -1.307 2.497 12 . 30801 W97 NAD NAD NAD N1 . N . . N 0 . . . 1 yes no . . . . 17.722 . 2.263 . -21.458 . -1.377 -0.646 -0.000 13 . 30801 W97 NAG NAG NAG N2 . N . . N 0 . . . 1 yes no . . . . 15.101 . 2.572 . -20.776 . -1.898 2.031 0.001 14 . 30801 W97 NAI NAI NAI N3 . N . . N 0 . . . 1 no no . . . . 17.581 . 4.655 . -21.914 . 1.002 0.082 -0.001 15 . 30801 W97 NAK NAK NAK N4 . N . . N 0 . . . 1 no no . . . . 15.499 . 4.914 . -21.370 . 0.582 2.244 -0.004 16 . 30801 W97 OAL OAL OAL O1 . O . . N 0 . . . 1 no no . . . . 16.672 . 6.841 . -22.099 . 2.746 1.543 -0.002 17 . 30801 W97 HAA HAA HAA H1 . H . . N 0 . . . 1 no no . . . . 18.711 . -2.047 . -20.768 . -5.404 -2.592 0.002 18 . 30801 W97 HAH HAH HAH H2 . H . . N 0 . . . 1 no no . . . . 15.144 . 0.462 . -20.354 . -3.916 1.519 0.005 19 . 30801 W97 HAM HAM HAM H3 . H . . N 0 . . . 1 no no . . . . 19.635 . 4.154 . -21.976 . 1.029 -2.015 0.003 20 . 30801 W97 HAN1 HAN1 HAN1 H4 . H . . N 0 . . . 0 no no . . . . 18.807 . 7.096 . -22.183 . 3.262 -0.392 -1.295 21 . 30801 W97 HAN2 HAN2 HAN2 H5 . H . . N 0 . . . 0 no no . . . . 19.405 . 6.274 . -20.702 . 3.228 -2.169 -1.202 22 . 30801 W97 HA02 HA02 HA02 H6 . H . . N 0 . . . 0 no no . . . . 20.092 . 5.111 . -24.198 . 3.228 -2.165 1.209 23 . 30801 W97 HA01 HA01 HA01 H7 . H . . N 0 . . . 0 no no . . . . 18.420 . 5.762 . -24.283 . 3.262 -0.387 1.296 24 . 30801 W97 HAP3 HAP3 HAP3 H8 . H . . N 0 . . . 0 no no . . . . 21.232 . 7.525 . -21.836 . 1.083 -2.193 -2.446 25 . 30801 W97 HAP1 HAP1 HAP1 H9 . H . . N 0 . . . 0 no no . . . . 21.549 . 5.757 . -21.856 . 1.117 -0.415 -2.539 26 . 30801 W97 HAP2 HAP2 HAP2 H10 . H . . N 0 . . . 0 no no . . . . 20.950 . 6.579 . -23.337 . 2.356 -1.375 -3.383 27 . 30801 W97 HAQ2 HAQ2 HAQ2 H11 . H . . N 0 . . . 0 no no . . . . 18.614 . 3.617 . -25.532 . 2.356 -1.362 3.387 28 . 30801 W97 HAQ3 HAQ3 HAQ3 H12 . H . . N 0 . . . 0 no no . . . . 19.184 . 2.799 . -24.039 . 1.117 -0.406 2.539 29 . 30801 W97 HAQ1 HAQ1 HAQ1 H13 . H . . N 0 . . . 0 no no . . . . 17.512 . 3.449 . -24.124 . 1.083 -2.183 2.453 30 . 30801 W97 H1 H1 H1 H14 . H . . N 0 . . . 1 no no . . . . 14.609 . 5.337 . -21.201 . 0.718 3.204 -0.006 31 . 30801 W97 stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING CAQ CAO no N 1 . 30801 W97 2 . SING CAO CAM no N 2 . 30801 W97 3 . SING CAM NAI no N 3 . 30801 W97 4 . SING CAM CAN no N 4 . 30801 W97 5 . SING CAP CAN no N 5 . 30801 W97 6 . DOUB OAL CAJ no N 6 . 30801 W97 7 . SING NAI CAJ no N 7 . 30801 W97 8 . SING NAI CAE no N 8 . 30801 W97 9 . SING CAJ NAK no N 9 . 30801 W97 10 . DOUB CAE NAD yes N 10 . 30801 W97 11 . SING CAE CAF yes N 11 . 30801 W97 12 . SING NAD CAC yes N 12 . 30801 W97 13 . SING NAK CAF no N 13 . 30801 W97 14 . DOUB CAF NAG yes N 14 . 30801 W97 15 . SING CAC CAB no N 15 . 30801 W97 16 . DOUB CAC CAH yes N 16 . 30801 W97 17 . TRIP CAB CAA no N 17 . 30801 W97 18 . SING NAG CAH yes N 18 . 30801 W97 19 . SING CAA HAA no N 19 . 30801 W97 20 . SING CAH HAH no N 20 . 30801 W97 21 . SING CAM HAM no N 21 . 30801 W97 22 . SING CAN HAN1 no N 22 . 30801 W97 23 . SING CAN HAN2 no N 23 . 30801 W97 24 . SING CAO HA02 no N 24 . 30801 W97 25 . SING CAO HA01 no N 25 . 30801 W97 26 . SING CAP HAP3 no N 26 . 30801 W97 27 . SING CAP HAP1 no N 27 . 30801 W97 28 . SING CAP HAP2 no N 28 . 30801 W97 29 . SING CAQ HAQ2 no N 29 . 30801 W97 30 . SING CAQ HAQ3 no N 30 . 30801 W97 31 . SING CAQ HAQ1 no N 31 . 30801 W97 32 . SING NAK H1 no N 32 . 30801 W97 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30801 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-13C; U-15N] TroponinC-Troponin I chimera, 10 mM Imidazole, 100 mM KCl, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'TroponinC-Troponin I chimera' '[U-13C; U-15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 30801 1 2 Imidazole 'natural abundance' . . . . . . 10 . . mM . . . . 30801 1 3 KCl 'natural abundance' . . . . . . 100 . . mM . . . . 30801 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 30801 _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' 200 . mM 30801 1 pH 6.7 . pH 30801 1 pressure 1 . atm 30801 1 temperature 298 . K 30801 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30801 _Software.ID 1 _Software.Type . _Software.Name VnmrJ _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 30801 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 30801 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30801 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30801 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 30801 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30801 _Software.ID 3 _Software.Type . _Software.Name NMRViewJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 30801 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30801 3 'data analysis' . 30801 3 'peak picking' . 30801 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30801 _Software.ID 4 _Software.Type . _Software.Name CYANA _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30801 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 30801 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30801 _Software.ID 5 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30801 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30801 5 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 30801 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30801 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 30801 _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 Varian INOVA . 800 . . . 30801 1 2 NMR_spectrometer_2 Varian INOVA . 600 . . . 30801 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 30801 _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 '2D 1H-15N HSQC NH2 only' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30801 1 2 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30801 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30801 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30801 1 5 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30801 1 6 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30801 1 7 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30801 1 8 '3D 1H-15N NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30801 1 9 '3D 1H-13C NOESY CNfiltered' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30801 1 10 '2D 1H-15N HSQC CNfiltered' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30801 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 30801 _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 0.000 internal indirect 0.251449530 . . . . . 30801 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30801 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 30801 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 30801 _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 0.025 _Assigned_chem_shift_list.Chem_shift_13C_err 0.035 _Assigned_chem_shift_list.Chem_shift_15N_err 0.035 _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 '2D 1H-15N HSQC NH2 only' . . . 30801 1 2 '2D 1H-13C HSQC aromatic' . . . 30801 1 3 '3D CBCA(CO)NH' . . . 30801 1 4 '3D HNCACB' . . . 30801 1 5 '3D C(CO)NH' . . . 30801 1 6 '3D H(CCO)NH' . . . 30801 1 7 '3D 1H-13C NOESY aliphatic' . . . 30801 1 8 '3D 1H-15N NOESY aliphatic' . . . 30801 1 9 '3D 1H-13C NOESY CNfiltered' . . . 30801 1 10 '2D 1H-15N HSQC CNfiltered' . . . 30801 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 4 4 MET H H 1 9.1500 0.025 . 1 . . . . A 4 MET H . 30801 1 2 . 1 . 1 4 4 MET HA H 1 4.5080 0.025 . 1 . . . . A 4 MET HA . 30801 1 3 . 1 . 1 4 4 MET HB2 H 1 2.1600 0.025 . 2 . . . . A 4 MET HB2 . 30801 1 4 . 1 . 1 4 4 MET N N 15 120.5100 0.035 . 1 . . . . A 4 MET N . 30801 1 5 . 1 . 1 5 5 THR H H 1 7.7650 0.025 . 1 . . 36172 . A 5 THR H . 30801 1 6 . 1 . 1 5 5 THR HA H 1 4.4700 0.025 . 1 . . . . A 5 THR HA . 30801 1 7 . 1 . 1 5 5 THR HB H 1 4.6700 0.025 . 1 . . . . A 5 THR HB . 30801 1 8 . 1 . 1 5 5 THR HG21 H 1 1.1580 0.025 . 1 . . . . A 5 THR HG21 . 30801 1 9 . 1 . 1 5 5 THR HG22 H 1 1.1580 0.025 . 1 . . . . A 5 THR HG22 . 30801 1 10 . 1 . 1 5 5 THR HG23 H 1 1.1580 0.025 . 1 . . . . A 5 THR HG23 . 30801 1 11 . 1 . 1 5 5 THR CA C 13 60.9920 0.035 . 1 . . 34529 . A 5 THR CA . 30801 1 12 . 1 . 1 5 5 THR CB C 13 70.4820 0.035 . 1 . . 34517 . A 5 THR CB . 30801 1 13 . 1 . 1 5 5 THR CG2 C 13 21.5000 0.035 . 1 . . . . A 5 THR CG2 . 30801 1 14 . 1 . 1 5 5 THR N N 15 117.7820 0.035 . 1 . . 36173 . A 5 THR N . 30801 1 15 . 1 . 1 6 6 ASP H H 1 8.7810 0.025 . 1 . . 33922 . A 6 ASP H . 30801 1 16 . 1 . 1 6 6 ASP HA H 1 4.5160 0.025 . 1 . . . . A 6 ASP HA . 30801 1 17 . 1 . 1 6 6 ASP HB2 H 1 2.7500 0.025 . 2 . . 47523 . A 6 ASP HB2 . 30801 1 18 . 1 . 1 6 6 ASP HB3 H 1 2.6530 0.025 . 2 . . . . A 6 ASP HB3 . 30801 1 19 . 1 . 1 6 6 ASP CA C 13 57.0140 0.035 . 1 . . 43712 . A 6 ASP CA . 30801 1 20 . 1 . 1 6 6 ASP CB C 13 40.2750 0.035 . 1 . . 43716 . A 6 ASP CB . 30801 1 21 . 1 . 1 6 6 ASP N N 15 121.8490 0.035 . 1 . . 33924 . A 6 ASP N . 30801 1 22 . 1 . 1 7 7 GLN H H 1 8.9490 0.025 . 1 . . 35479 . A 7 GLN H . 30801 1 23 . 1 . 1 7 7 GLN HA H 1 4.1230 0.025 . 1 . . 47307 . A 7 GLN HA . 30801 1 24 . 1 . 1 7 7 GLN HG2 H 1 2.4980 0.025 . 2 . . 47310 . A 7 GLN HG2 . 30801 1 25 . 1 . 1 7 7 GLN HG3 H 1 2.3280 0.025 . 2 . . 47244 . A 7 GLN HG3 . 30801 1 26 . 1 . 1 7 7 GLN HE21 H 1 7.2680 0.025 . 2 . . . . A 7 GLN HE21 . 30801 1 27 . 1 . 1 7 7 GLN HE22 H 1 7.1740 0.025 . 2 . . . . A 7 GLN HE22 . 30801 1 28 . 1 . 1 7 7 GLN CA C 13 58.8750 0.035 . 1 . . 34271 . A 7 GLN CA . 30801 1 29 . 1 . 1 7 7 GLN CB C 13 29.3250 0.035 . 1 . . 35105 . A 7 GLN CB . 30801 1 30 . 1 . 1 7 7 GLN CG C 13 35.5520 0.035 . 1 . . 46464 . A 7 GLN CG . 30801 1 31 . 1 . 1 7 7 GLN N N 15 120.1720 0.035 . 1 . . 35481 . A 7 GLN N . 30801 1 32 . 1 . 1 7 7 GLN NE2 N 15 111.2270 0.035 . 1 . . . . A 7 GLN NE2 . 30801 1 33 . 1 . 1 8 8 GLN H H 1 7.9200 0.025 . 1 . . 36152 . A 8 GLN H . 30801 1 34 . 1 . 1 8 8 GLN HA H 1 3.9420 0.025 . 1 . . . . A 8 GLN HA . 30801 1 35 . 1 . 1 8 8 GLN HB2 H 1 2.1380 0.025 . 2 . . . . A 8 GLN HB2 . 30801 1 36 . 1 . 1 8 8 GLN HB3 H 1 2.0890 0.025 . 2 . . . . A 8 GLN HB3 . 30801 1 37 . 1 . 1 8 8 GLN HG2 H 1 2.4180 0.025 . 2 . . . . A 8 GLN HG2 . 30801 1 38 . 1 . 1 8 8 GLN HE21 H 1 7.3054 0.025 . 2 . . . . A 8 GLN HE21 . 30801 1 39 . 1 . 1 8 8 GLN HE22 H 1 7.1580 0.025 . 2 . . . . A 8 GLN HE22 . 30801 1 40 . 1 . 1 8 8 GLN CA C 13 58.2910 0.035 . 1 . . 43381 . A 8 GLN CA . 30801 1 41 . 1 . 1 8 8 GLN CB C 13 27.0740 0.035 . 1 . . 42643 . A 8 GLN CB . 30801 1 42 . 1 . 1 8 8 GLN N N 15 121.7640 0.035 . 1 . . 36153 . A 8 GLN N . 30801 1 43 . 1 . 1 8 8 GLN NE2 N 15 111.3887 0.035 . 1 . . . . A 8 GLN NE2 . 30801 1 44 . 1 . 1 9 9 ALA H H 1 8.4150 0.025 . 1 . . 36028 . A 9 ALA H . 30801 1 45 . 1 . 1 9 9 ALA HA H 1 4.0940 0.025 . 1 . . . . A 9 ALA HA . 30801 1 46 . 1 . 1 9 9 ALA HB1 H 1 1.4810 0.025 . 1 . . . . A 9 ALA HB1 . 30801 1 47 . 1 . 1 9 9 ALA HB2 H 1 1.4810 0.025 . 1 . . . . A 9 ALA HB2 . 30801 1 48 . 1 . 1 9 9 ALA HB3 H 1 1.4810 0.025 . 1 . . . . A 9 ALA HB3 . 30801 1 49 . 1 . 1 9 9 ALA CA C 13 54.8510 0.035 . 1 . . 43911 . A 9 ALA CA . 30801 1 50 . 1 . 1 9 9 ALA CB C 13 18.1400 0.035 . 1 . . 43915 . A 9 ALA CB . 30801 1 51 . 1 . 1 9 9 ALA N N 15 123.0060 0.035 . 1 . . 36029 . A 9 ALA N . 30801 1 52 . 1 . 1 10 10 GLU H H 1 8.2990 0.025 . 1 . . 43886 . A 10 GLU H . 30801 1 53 . 1 . 1 10 10 GLU HA H 1 3.9820 0.025 . 1 . . 47109 . A 10 GLU HA . 30801 1 54 . 1 . 1 10 10 GLU HB2 H 1 2.2370 0.025 . 2 . . 47106 . A 10 GLU HB2 . 30801 1 55 . 1 . 1 10 10 GLU HG2 H 1 2.3530 0.025 . 2 . . 47112 . A 10 GLU HG2 . 30801 1 56 . 1 . 1 10 10 GLU HG3 H 1 2.2460 0.025 . 2 . . . . A 10 GLU HG3 . 30801 1 57 . 1 . 1 10 10 GLU CA C 13 59.1530 0.035 . 1 . . 43927 . A 10 GLU CA . 30801 1 58 . 1 . 1 10 10 GLU CB C 13 29.1860 0.035 . 1 . . 43931 . A 10 GLU CB . 30801 1 59 . 1 . 1 10 10 GLU CG C 13 36.3430 0.035 . 1 . . 46449 . A 10 GLU CG . 30801 1 60 . 1 . 1 10 10 GLU N N 15 119.7080 0.035 . 1 . . 43888 . A 10 GLU N . 30801 1 61 . 1 . 1 11 11 ALA H H 1 8.1680 0.025 . 1 . . 33772 . A 11 ALA H . 30801 1 62 . 1 . 1 11 11 ALA HA H 1 4.1670 0.025 . 1 . . . . A 11 ALA HA . 30801 1 63 . 1 . 1 11 11 ALA HB1 H 1 1.4710 0.025 . 1 . . 48039 . A 11 ALA HB1 . 30801 1 64 . 1 . 1 11 11 ALA HB2 H 1 1.4710 0.025 . 1 . . 48039 . A 11 ALA HB2 . 30801 1 65 . 1 . 1 11 11 ALA HB3 H 1 1.4710 0.025 . 1 . . 48039 . A 11 ALA HB3 . 30801 1 66 . 1 . 1 11 11 ALA CA C 13 56.1200 0.035 . 1 . . 35045 . A 11 ALA CA . 30801 1 67 . 1 . 1 11 11 ALA CB C 13 18.2260 0.035 . 1 . . 33788 . A 11 ALA CB . 30801 1 68 . 1 . 1 11 11 ALA N N 15 123.0260 0.035 . 1 . . 33774 . A 11 ALA N . 30801 1 69 . 1 . 1 12 12 ARG H H 1 8.0100 0.025 . 1 . . 35779 . A 12 ARG H . 30801 1 70 . 1 . 1 12 12 ARG HA H 1 3.7840 0.025 . 1 . . 47994 . A 12 ARG HA . 30801 1 71 . 1 . 1 12 12 ARG HB2 H 1 1.8500 0.025 . 2 . . . . A 12 ARG HB2 . 30801 1 72 . 1 . 1 12 12 ARG HB3 H 1 1.8890 0.025 . 2 . . . . A 12 ARG HB3 . 30801 1 73 . 1 . 1 12 12 ARG HG2 H 1 1.4650 0.025 . 2 . . . . A 12 ARG HG2 . 30801 1 74 . 1 . 1 12 12 ARG HD2 H 1 3.0840 0.025 . 2 . . 47997 . A 12 ARG HD2 . 30801 1 75 . 1 . 1 12 12 ARG CA C 13 60.0320 0.035 . 1 . . 34772 . A 12 ARG CA . 30801 1 76 . 1 . 1 12 12 ARG CB C 13 30.5610 0.035 . 1 . . 34784 . A 12 ARG CB . 30801 1 77 . 1 . 1 12 12 ARG CD C 13 42.8400 0.035 . 1 . . 46293 . A 12 ARG CD . 30801 1 78 . 1 . 1 12 12 ARG N N 15 113.2760 0.035 . 1 . . 35781 . A 12 ARG N . 30801 1 79 . 1 . 1 13 13 SER H H 1 7.7900 0.025 . 1 . . 36170 . A 13 SER H . 30801 1 80 . 1 . 1 13 13 SER HA H 1 4.2360 0.025 . 1 . . 47733 . A 13 SER HA . 30801 1 81 . 1 . 1 13 13 SER HB2 H 1 3.8700 0.025 . 2 . . 47736 . A 13 SER HB2 . 30801 1 82 . 1 . 1 13 13 SER HB3 H 1 3.9060 0.025 . 2 . . . . A 13 SER HB3 . 30801 1 83 . 1 . 1 13 13 SER CA C 13 61.1800 0.035 . 1 . . 42245 . A 13 SER CA . 30801 1 84 . 1 . 1 13 13 SER CB C 13 62.8900 0.035 . 1 . . 42247 . A 13 SER CB . 30801 1 85 . 1 . 1 13 13 SER N N 15 115.1000 0.035 . 1 . . 36171 . A 13 SER N . 30801 1 86 . 1 . 1 14 14 TYR H H 1 7.3070 0.025 . 1 . . 34453 . A 14 TYR H . 30801 1 87 . 1 . 1 14 14 TYR HA H 1 4.5750 0.025 . 1 . . . . A 14 TYR HA . 30801 1 88 . 1 . 1 14 14 TYR HB2 H 1 3.4360 0.025 . 2 . . . . A 14 TYR HB2 . 30801 1 89 . 1 . 1 14 14 TYR HB3 H 1 2.9140 0.025 . 2 . . . . A 14 TYR HB3 . 30801 1 90 . 1 . 1 14 14 TYR CA C 13 59.3190 0.035 . 1 . . 34466 . A 14 TYR CA . 30801 1 91 . 1 . 1 14 14 TYR CB C 13 40.1560 0.035 . 1 . . 34472 . A 14 TYR CB . 30801 1 92 . 1 . 1 14 14 TYR N N 15 118.7590 0.035 . 1 . . 34455 . A 14 TYR N . 30801 1 93 . 1 . 1 15 15 LEU H H 1 7.5600 0.025 . 1 . . 40289 . A 15 LEU H . 30801 1 94 . 1 . 1 15 15 LEU HA H 1 4.9350 0.025 . 1 . . 47901 . A 15 LEU HA . 30801 1 95 . 1 . 1 15 15 LEU HB2 H 1 2.0470 0.025 . 2 . . 47904 . A 15 LEU HB2 . 30801 1 96 . 1 . 1 15 15 LEU HB3 H 1 1.4450 0.025 . 2 . . . . A 15 LEU HB3 . 30801 1 97 . 1 . 1 15 15 LEU HG H 1 2.2900 0.025 . 1 . . . . A 15 LEU HG . 30801 1 98 . 1 . 1 15 15 LEU HD11 H 1 0.9800 0.025 . 2 . . . . A 15 LEU HD11 . 30801 1 99 . 1 . 1 15 15 LEU HD12 H 1 0.9800 0.025 . 2 . . . . A 15 LEU HD12 . 30801 1 100 . 1 . 1 15 15 LEU HD13 H 1 0.9800 0.025 . 2 . . . . A 15 LEU HD13 . 30801 1 101 . 1 . 1 15 15 LEU HD21 H 1 1.0430 0.025 . 2 . . . . A 15 LEU HD21 . 30801 1 102 . 1 . 1 15 15 LEU HD22 H 1 1.0430 0.025 . 2 . . . . A 15 LEU HD22 . 30801 1 103 . 1 . 1 15 15 LEU HD23 H 1 1.0430 0.025 . 2 . . . . A 15 LEU HD23 . 30801 1 104 . 1 . 1 15 15 LEU CA C 13 54.0180 0.035 . 1 . . 40318 . A 15 LEU CA . 30801 1 105 . 1 . 1 15 15 LEU CB C 13 44.3650 0.035 . 1 . . 40315 . A 15 LEU CB . 30801 1 106 . 1 . 1 15 15 LEU CG C 13 25.9400 0.035 . 1 . . 46656 . A 15 LEU CG . 30801 1 107 . 1 . 1 15 15 LEU CD1 C 13 27.3900 0.035 . 2 . . . . A 15 LEU CD1 . 30801 1 108 . 1 . 1 15 15 LEU CD2 C 13 24.0100 0.035 . 2 . . 46782 . A 15 LEU CD2 . 30801 1 109 . 1 . 1 15 15 LEU N N 15 116.5720 0.035 . 1 . . 40290 . A 15 LEU N . 30801 1 110 . 1 . 1 16 16 SER H H 1 7.5180 0.025 . 1 . . 36222 . A 16 SER H . 30801 1 111 . 1 . 1 16 16 SER HA H 1 4.5130 0.025 . 1 . . 47352 . A 16 SER HA . 30801 1 112 . 1 . 1 16 16 SER HB2 H 1 4.0210 0.025 . 2 . . 47355 . A 16 SER HB2 . 30801 1 113 . 1 . 1 16 16 SER CA C 13 55.8800 0.035 . 1 . . 34619 . A 16 SER CA . 30801 1 114 . 1 . 1 16 16 SER CB C 13 66.2120 0.035 . 1 . . 34616 . A 16 SER CB . 30801 1 115 . 1 . 1 16 16 SER N N 15 116.9760 0.035 . 1 . . 36223 . A 16 SER N . 30801 1 116 . 1 . 1 17 17 GLU H H 1 9.1780 0.025 . 1 . . 35954 . A 17 GLU H . 30801 1 117 . 1 . 1 17 17 GLU HA H 1 3.9840 0.025 . 1 . . 47670 . A 17 GLU HA . 30801 1 118 . 1 . 1 17 17 GLU HB2 H 1 2.0700 0.025 . 2 . . . . A 17 GLU HB2 . 30801 1 119 . 1 . 1 17 17 GLU HG2 H 1 2.3790 0.025 . 2 . . 47673 . A 17 GLU HG2 . 30801 1 120 . 1 . 1 17 17 GLU HG3 H 1 2.4180 0.025 . 2 . . . . A 17 GLU HG3 . 30801 1 121 . 1 . 1 17 17 GLU CA C 13 60.1960 0.035 . 1 . . 34040 . A 17 GLU CA . 30801 1 122 . 1 . 1 17 17 GLU CB C 13 29.2140 0.035 . 1 . . 34067 . A 17 GLU CB . 30801 1 123 . 1 . 1 17 17 GLU CG C 13 36.6820 0.035 . 1 . . 46437 . A 17 GLU CG . 30801 1 124 . 1 . 1 17 17 GLU N N 15 121.3590 0.035 . 1 . . 35955 . A 17 GLU N . 30801 1 125 . 1 . 1 18 18 GLU H H 1 8.9270 0.025 . 1 . . 35972 . A 18 GLU H . 30801 1 126 . 1 . 1 18 18 GLU HA H 1 4.0780 0.025 . 1 . . 47679 . A 18 GLU HA . 30801 1 127 . 1 . 1 18 18 GLU HB2 H 1 1.9020 0.025 . 2 . . . . A 18 GLU HB2 . 30801 1 128 . 1 . 1 18 18 GLU HB3 H 1 2.0490 0.025 . 2 . . . . A 18 GLU HB3 . 30801 1 129 . 1 . 1 18 18 GLU HG2 H 1 2.3600 0.025 . 2 . . . . A 18 GLU HG2 . 30801 1 130 . 1 . 1 18 18 GLU HG3 H 1 2.3210 0.025 . 2 . . . . A 18 GLU HG3 . 30801 1 131 . 1 . 1 18 18 GLU CA C 13 59.8540 0.035 . 1 . . 34400 . A 18 GLU CA . 30801 1 132 . 1 . 1 18 18 GLU CB C 13 29.0450 0.035 . 1 . . 34421 . A 18 GLU CB . 30801 1 133 . 1 . 1 18 18 GLU CG C 13 36.7710 0.035 . 1 . . 46440 . A 18 GLU CG . 30801 1 134 . 1 . 1 18 18 GLU N N 15 119.4000 0.035 . 1 . . 35973 . A 18 GLU N . 30801 1 135 . 1 . 1 19 19 MET H H 1 7.5940 0.025 . 1 . . 34423 . A 19 MET H . 30801 1 136 . 1 . 1 19 19 MET HA H 1 3.4580 0.025 . 1 . . . . A 19 MET HA . 30801 1 137 . 1 . 1 19 19 MET HB2 H 1 2.1610 0.025 . 2 . . . . A 19 MET HB2 . 30801 1 138 . 1 . 1 19 19 MET HB3 H 1 2.6720 0.025 . 2 . . . . A 19 MET HB3 . 30801 1 139 . 1 . 1 19 19 MET HG2 H 1 1.6100 0.025 . 2 . . . . A 19 MET HG2 . 30801 1 140 . 1 . 1 19 19 MET HG3 H 1 2.0740 0.025 . 2 . . . . A 19 MET HG3 . 30801 1 141 . 1 . 1 19 19 MET HE1 H 1 2.0980 0.025 . 1 . . . . A 19 MET HE1 . 30801 1 142 . 1 . 1 19 19 MET HE2 H 1 2.0980 0.025 . 1 . . . . A 19 MET HE2 . 30801 1 143 . 1 . 1 19 19 MET HE3 H 1 2.0980 0.025 . 1 . . . . A 19 MET HE3 . 30801 1 144 . 1 . 1 19 19 MET CA C 13 59.7370 0.035 . 1 . . 34403 . A 19 MET CA . 30801 1 145 . 1 . 1 19 19 MET CB C 13 33.4840 0.035 . 1 . . 34385 . A 19 MET CB . 30801 1 146 . 1 . 1 19 19 MET CG C 13 34.6200 0.035 . 1 . . . . A 19 MET CG . 30801 1 147 . 1 . 1 19 19 MET CE C 13 18.2760 0.035 . 1 . . . . A 19 MET CE . 30801 1 148 . 1 . 1 19 19 MET N N 15 119.4420 0.035 . 1 . . 34425 . A 19 MET N . 30801 1 149 . 1 . 1 20 20 ILE H H 1 7.9660 0.025 . 1 . . 39338 . A 20 ILE H . 30801 1 150 . 1 . 1 20 20 ILE HA H 1 3.3730 0.025 . 1 . . . . A 20 ILE HA . 30801 1 151 . 1 . 1 20 20 ILE HB H 1 1.9160 0.025 . 1 . . 47562 . A 20 ILE HB . 30801 1 152 . 1 . 1 20 20 ILE HG12 H 1 0.9980 0.025 . 2 . . . . A 20 ILE HG12 . 30801 1 153 . 1 . 1 20 20 ILE HG13 H 1 1.7910 0.025 . 2 . . . . A 20 ILE HG13 . 30801 1 154 . 1 . 1 20 20 ILE HG21 H 1 1.1870 0.025 . 1 . . . . A 20 ILE HG21 . 30801 1 155 . 1 . 1 20 20 ILE HG22 H 1 1.1870 0.025 . 1 . . . . A 20 ILE HG22 . 30801 1 156 . 1 . 1 20 20 ILE HG23 H 1 1.1870 0.025 . 1 . . . . A 20 ILE HG23 . 30801 1 157 . 1 . 1 20 20 ILE HD11 H 1 0.8970 0.025 . 1 . . . . A 20 ILE HD11 . 30801 1 158 . 1 . 1 20 20 ILE HD12 H 1 0.8970 0.025 . 1 . . . . A 20 ILE HD12 . 30801 1 159 . 1 . 1 20 20 ILE HD13 H 1 0.8970 0.025 . 1 . . . . A 20 ILE HD13 . 30801 1 160 . 1 . 1 20 20 ILE CA C 13 66.3730 0.035 . 1 . . 42808 . A 20 ILE CA . 30801 1 161 . 1 . 1 20 20 ILE CB C 13 37.5600 0.035 . 1 . . 42802 . A 20 ILE CB . 30801 1 162 . 1 . 1 20 20 ILE CG1 C 13 31.1090 0.035 . 1 . . 46581 . A 20 ILE CG1 . 30801 1 163 . 1 . 1 20 20 ILE CG2 C 13 17.7960 0.035 . 1 . . 46890 . A 20 ILE CG2 . 30801 1 164 . 1 . 1 20 20 ILE CD1 C 13 13.2920 0.035 . 1 . . . . A 20 ILE CD1 . 30801 1 165 . 1 . 1 20 20 ILE N N 15 117.7300 0.035 . 1 . . 39339 . A 20 ILE N . 30801 1 166 . 1 . 1 21 21 ALA H H 1 7.9220 0.025 . 1 . . 35038 . A 21 ALA H . 30801 1 167 . 1 . 1 21 21 ALA HA H 1 4.2200 0.025 . 1 . . 48306 . A 21 ALA HA . 30801 1 168 . 1 . 1 21 21 ALA HB1 H 1 1.4870 0.025 . 1 . . 47511 . A 21 ALA HB1 . 30801 1 169 . 1 . 1 21 21 ALA HB2 H 1 1.4870 0.025 . 1 . . 47511 . A 21 ALA HB2 . 30801 1 170 . 1 . 1 21 21 ALA HB3 H 1 1.4870 0.025 . 1 . . 47511 . A 21 ALA HB3 . 30801 1 171 . 1 . 1 21 21 ALA CA C 13 55.3890 0.035 . 1 . . 42816 . A 21 ALA CA . 30801 1 172 . 1 . 1 21 21 ALA CB C 13 17.9790 0.035 . 1 . . 42812 . A 21 ALA CB . 30801 1 173 . 1 . 1 21 21 ALA N N 15 119.8270 0.035 . 1 . . 35040 . A 21 ALA N . 30801 1 174 . 1 . 1 22 22 GLU H H 1 7.6170 0.025 . 1 . . 40214 . A 22 GLU H . 30801 1 175 . 1 . 1 22 22 GLU HA H 1 4.1750 0.025 . 1 . . . . A 22 GLU HA . 30801 1 176 . 1 . 1 22 22 GLU HB2 H 1 2.2020 0.025 . 2 . . 47712 . A 22 GLU HB2 . 30801 1 177 . 1 . 1 22 22 GLU HB3 H 1 2.2870 0.025 . 2 . . . . A 22 GLU HB3 . 30801 1 178 . 1 . 1 22 22 GLU HG2 H 1 2.6190 0.025 . 2 . . 47718 . A 22 GLU HG2 . 30801 1 179 . 1 . 1 22 22 GLU HG3 H 1 2.4130 0.025 . 2 . . . . A 22 GLU HG3 . 30801 1 180 . 1 . 1 22 22 GLU CA C 13 60.8120 0.035 . 1 . . 40221 . A 22 GLU CA . 30801 1 181 . 1 . 1 22 22 GLU CB C 13 29.0930 0.035 . 1 . . 40227 . A 22 GLU CB . 30801 1 182 . 1 . 1 22 22 GLU CG C 13 37.7380 0.035 . 1 . . 46419 . A 22 GLU CG . 30801 1 183 . 1 . 1 22 22 GLU N N 15 120.3510 0.035 . 1 . . 40216 . A 22 GLU N . 30801 1 184 . 1 . 1 23 23 PHE H H 1 9.0570 0.025 . 1 . . 34456 . A 23 PHE H . 30801 1 185 . 1 . 1 23 23 PHE HA H 1 4.8180 0.025 . 1 . . . . A 23 PHE HA . 30801 1 186 . 1 . 1 23 23 PHE HB2 H 1 3.7070 0.025 . 2 . . 47043 . A 23 PHE HB2 . 30801 1 187 . 1 . 1 23 23 PHE HB3 H 1 3.4710 0.025 . 2 . . 47046 . A 23 PHE HB3 . 30801 1 188 . 1 . 1 23 23 PHE HD1 H 1 7.0801 0.025 . 3 . . . . A 23 PHE HD1 . 30801 1 189 . 1 . 1 23 23 PHE CA C 13 57.2170 0.035 . 1 . . 34460 . A 23 PHE CA . 30801 1 190 . 1 . 1 23 23 PHE CB C 13 35.7230 0.035 . 1 . . 34463 . A 23 PHE CB . 30801 1 191 . 1 . 1 23 23 PHE N N 15 118.9250 0.035 . 1 . . 34458 . A 23 PHE N . 30801 1 192 . 1 . 1 24 24 LYS H H 1 9.1550 0.025 . 1 . . 35956 . A 24 LYS H . 30801 1 193 . 1 . 1 24 24 LYS HA H 1 4.0270 0.025 . 1 . . 47172 . A 24 LYS HA . 30801 1 194 . 1 . 1 24 24 LYS HB2 H 1 2.0340 0.025 . 2 . . . . A 24 LYS HB2 . 30801 1 195 . 1 . 1 24 24 LYS HB3 H 1 1.6350 0.025 . 2 . . . . A 24 LYS HB3 . 30801 1 196 . 1 . 1 24 24 LYS HG2 H 1 1.1810 0.025 . 2 . . . . A 24 LYS HG2 . 30801 1 197 . 1 . 1 24 24 LYS HG3 H 1 1.0730 0.025 . 2 . . . . A 24 LYS HG3 . 30801 1 198 . 1 . 1 24 24 LYS HD2 H 1 0.0280 0.025 . 2 . . . . A 24 LYS HD2 . 30801 1 199 . 1 . 1 24 24 LYS HD3 H 1 1.4720 0.025 . 2 . . . . A 24 LYS HD3 . 30801 1 200 . 1 . 1 24 24 LYS HE2 H 1 2.5570 0.025 . 2 . . . . A 24 LYS HE2 . 30801 1 201 . 1 . 1 24 24 LYS HE3 H 1 2.6580 0.025 . 2 . . . . A 24 LYS HE3 . 30801 1 202 . 1 . 1 24 24 LYS CA C 13 57.9220 0.035 . 1 . . 33713 . A 24 LYS CA . 30801 1 203 . 1 . 1 24 24 LYS CB C 13 31.2750 0.035 . 1 . . 33722 . A 24 LYS CB . 30801 1 204 . 1 . 1 24 24 LYS CG C 13 24.2390 0.035 . 1 . . 46752 . A 24 LYS CG . 30801 1 205 . 1 . 1 24 24 LYS CD C 13 26.7320 0.035 . 1 . . 46692 . A 24 LYS CD . 30801 1 206 . 1 . 1 24 24 LYS CE C 13 42.2100 0.035 . 1 . . . . A 24 LYS CE . 30801 1 207 . 1 . 1 24 24 LYS N N 15 123.6150 0.035 . 1 . . 35957 . A 24 LYS N . 30801 1 208 . 1 . 1 25 25 ALA H H 1 7.6000 0.025 . 1 . . 33844 . A 25 ALA H . 30801 1 209 . 1 . 1 25 25 ALA HA H 1 4.2490 0.025 . 1 . . 47640 . A 25 ALA HA . 30801 1 210 . 1 . 1 25 25 ALA HB1 H 1 1.6640 0.025 . 1 . . . . A 25 ALA HB1 . 30801 1 211 . 1 . 1 25 25 ALA HB2 H 1 1.6640 0.025 . 1 . . . . A 25 ALA HB2 . 30801 1 212 . 1 . 1 25 25 ALA HB3 H 1 1.6640 0.025 . 1 . . . . A 25 ALA HB3 . 30801 1 213 . 1 . 1 25 25 ALA CA C 13 55.2640 0.035 . 1 . . 33833 . A 25 ALA CA . 30801 1 214 . 1 . 1 25 25 ALA CB C 13 17.3200 0.035 . 1 . . 33854 . A 25 ALA CB . 30801 1 215 . 1 . 1 25 25 ALA N N 15 122.4960 0.035 . 1 . . 33846 . A 25 ALA N . 30801 1 216 . 1 . 1 26 26 ALA H H 1 8.2410 0.025 . 1 . . 36054 . A 26 ALA H . 30801 1 217 . 1 . 1 26 26 ALA HA H 1 4.1720 0.025 . 1 . . . . A 26 ALA HA . 30801 1 218 . 1 . 1 26 26 ALA HB1 H 1 1.7150 0.025 . 1 . . 47256 . A 26 ALA HB1 . 30801 1 219 . 1 . 1 26 26 ALA HB2 H 1 1.7150 0.025 . 1 . . 47256 . A 26 ALA HB2 . 30801 1 220 . 1 . 1 26 26 ALA HB3 H 1 1.7150 0.025 . 1 . . 47256 . A 26 ALA HB3 . 30801 1 221 . 1 . 1 26 26 ALA CA C 13 55.3140 0.035 . 1 . . 34433 . A 26 ALA CA . 30801 1 222 . 1 . 1 26 26 ALA CB C 13 18.2000 0.035 . 1 . . 34445 . A 26 ALA CB . 30801 1 223 . 1 . 1 26 26 ALA N N 15 119.2540 0.035 . 1 . . 36055 . A 26 ALA N . 30801 1 224 . 1 . 1 27 27 PHE H H 1 9.0150 0.025 . 1 . . 33991 . A 27 PHE H . 30801 1 225 . 1 . 1 27 27 PHE HA H 1 3.0780 0.025 . 1 . . . . A 27 PHE HA . 30801 1 226 . 1 . 1 27 27 PHE HB2 H 1 3.2160 0.025 . 2 . . 47688 . A 27 PHE HB2 . 30801 1 227 . 1 . 1 27 27 PHE HB3 H 1 2.4630 0.025 . 2 . . 47685 . A 27 PHE HB3 . 30801 1 228 . 1 . 1 27 27 PHE CA C 13 62.2470 0.035 . 1 . . 33962 . A 27 PHE CA . 30801 1 229 . 1 . 1 27 27 PHE CB C 13 39.3900 0.035 . 1 . . 33992 . A 27 PHE CB . 30801 1 230 . 1 . 1 27 27 PHE N N 15 121.6260 0.035 . 1 . . 33993 . A 27 PHE N . 30801 1 231 . 1 . 1 28 28 ASP H H 1 8.6170 0.025 . 1 . . 34447 . A 28 ASP H . 30801 1 232 . 1 . 1 28 28 ASP HA H 1 4.1560 0.025 . 1 . . . . A 28 ASP HA . 30801 1 233 . 1 . 1 28 28 ASP HB2 H 1 2.7300 0.025 . 2 . . 47922 . A 28 ASP HB2 . 30801 1 234 . 1 . 1 28 28 ASP HB3 H 1 2.6840 0.025 . 2 . . . . A 28 ASP HB3 . 30801 1 235 . 1 . 1 28 28 ASP CA C 13 57.2820 0.035 . 1 . . 34451 . A 28 ASP CA . 30801 1 236 . 1 . 1 28 28 ASP CB C 13 39.8660 0.035 . 1 . . 34436 . A 28 ASP CB . 30801 1 237 . 1 . 1 28 28 ASP N N 15 119.1160 0.035 . 1 . . 34449 . A 28 ASP N . 30801 1 238 . 1 . 1 29 29 MET H H 1 7.4810 0.025 . 1 . . 36232 . A 29 MET H . 30801 1 239 . 1 . 1 29 29 MET HA H 1 4.0890 0.025 . 1 . . 47937 . A 29 MET HA . 30801 1 240 . 1 . 1 29 29 MET HB2 H 1 2.3580 0.025 . 2 . . . . A 29 MET HB2 . 30801 1 241 . 1 . 1 29 29 MET HB3 H 1 1.9720 0.025 . 2 . . . . A 29 MET HB3 . 30801 1 242 . 1 . 1 29 29 MET HG2 H 1 2.8320 0.025 . 2 . . . . A 29 MET HG2 . 30801 1 243 . 1 . 1 29 29 MET HG3 H 1 2.4930 0.025 . 2 . . . . A 29 MET HG3 . 30801 1 244 . 1 . 1 29 29 MET HE1 H 1 2.1000 0.025 . 1 . . . . A 29 MET HE1 . 30801 1 245 . 1 . 1 29 29 MET HE2 H 1 2.1000 0.025 . 1 . . . . A 29 MET HE2 . 30801 1 246 . 1 . 1 29 29 MET HE3 H 1 2.1000 0.025 . 1 . . . . A 29 MET HE3 . 30801 1 247 . 1 . 1 29 29 MET CA C 13 58.3550 0.035 . 1 . . 43089 . A 29 MET CA . 30801 1 248 . 1 . 1 29 29 MET CB C 13 32.1880 0.035 . 1 . . 43083 . A 29 MET CB . 30801 1 249 . 1 . 1 29 29 MET CG C 13 32.7230 0.035 . 1 . . . . A 29 MET CG . 30801 1 250 . 1 . 1 29 29 MET CE C 13 17.1900 0.035 . 1 . . . . A 29 MET CE . 30801 1 251 . 1 . 1 29 29 MET N N 15 116.7320 0.035 . 1 . . 36233 . A 29 MET N . 30801 1 252 . 1 . 1 30 30 PHE H H 1 7.5720 0.025 . 1 . . 43079 . A 30 PHE H . 30801 1 253 . 1 . 1 30 30 PHE HA H 1 4.1890 0.025 . 1 . . . . A 30 PHE HA . 30801 1 254 . 1 . 1 30 30 PHE HB2 H 1 3.1040 0.025 . 2 . . 47826 . A 30 PHE HB2 . 30801 1 255 . 1 . 1 30 30 PHE HB3 H 1 2.4950 0.025 . 2 . . 47829 . A 30 PHE HB3 . 30801 1 256 . 1 . 1 30 30 PHE CA C 13 59.8370 0.035 . 1 . . 44335 . A 30 PHE CA . 30801 1 257 . 1 . 1 30 30 PHE CB C 13 40.9160 0.035 . 1 . . 43092 . A 30 PHE CB . 30801 1 258 . 1 . 1 30 30 PHE N N 15 116.5770 0.035 . 1 . . 43081 . A 30 PHE N . 30801 1 259 . 1 . 1 31 31 ASP H H 1 7.9790 0.025 . 1 . . 43001 . A 31 ASP H . 30801 1 260 . 1 . 1 31 31 ASP HA H 1 4.5010 0.025 . 1 . . 48237 . A 31 ASP HA . 30801 1 261 . 1 . 1 31 31 ASP HB2 H 1 2.2750 0.025 . 2 . . 48240 . A 31 ASP HB2 . 30801 1 262 . 1 . 1 31 31 ASP HB3 H 1 1.2940 0.025 . 2 . . 48243 . A 31 ASP HB3 . 30801 1 263 . 1 . 1 31 31 ASP CA C 13 52.2080 0.035 . 1 . . 43005 . A 31 ASP CA . 30801 1 264 . 1 . 1 31 31 ASP CB C 13 39.0120 0.035 . 1 . . 43008 . A 31 ASP CB . 30801 1 265 . 1 . 1 31 31 ASP N N 15 117.7340 0.035 . 1 . . 43003 . A 31 ASP N . 30801 1 266 . 1 . 1 32 32 ALA H H 1 7.7560 0.025 . 1 . . 36180 . A 32 ALA H . 30801 1 267 . 1 . 1 32 32 ALA HA H 1 4.1600 0.025 . 1 . . . . A 32 ALA HA . 30801 1 268 . 1 . 1 32 32 ALA HB1 H 1 1.4970 0.025 . 1 . . 48042 . A 32 ALA HB1 . 30801 1 269 . 1 . 1 32 32 ALA HB2 H 1 1.4970 0.025 . 1 . . 48042 . A 32 ALA HB2 . 30801 1 270 . 1 . 1 32 32 ALA HB3 H 1 1.4970 0.025 . 1 . . 48042 . A 32 ALA HB3 . 30801 1 271 . 1 . 1 32 32 ALA CA C 13 54.7890 0.035 . 1 . . 34916 . A 32 ALA CA . 30801 1 272 . 1 . 1 32 32 ALA CB C 13 19.4400 0.035 . 1 . . 34937 . A 32 ALA CB . 30801 1 273 . 1 . 1 32 32 ALA N N 15 128.5470 0.035 . 1 . . 36181 . A 32 ALA N . 30801 1 274 . 1 . 1 33 33 ASP H H 1 8.0900 0.025 . 1 . . 36116 . A 33 ASP H . 30801 1 275 . 1 . 1 33 33 ASP HA H 1 4.6130 0.025 . 1 . . 48147 . A 33 ASP HA . 30801 1 276 . 1 . 1 33 33 ASP HB2 H 1 3.1520 0.025 . 2 . . 48153 . A 33 ASP HB2 . 30801 1 277 . 1 . 1 33 33 ASP HB3 H 1 2.7380 0.025 . 2 . . 48150 . A 33 ASP HB3 . 30801 1 278 . 1 . 1 33 33 ASP CA C 13 52.8920 0.035 . 1 . . 34790 . A 33 ASP CA . 30801 1 279 . 1 . 1 33 33 ASP CB C 13 39.7060 0.035 . 1 . . 34793 . A 33 ASP CB . 30801 1 280 . 1 . 1 33 33 ASP N N 15 112.8260 0.035 . 1 . . 36117 . A 33 ASP N . 30801 1 281 . 1 . 1 34 34 GLY H H 1 8.0470 0.025 . 1 . . 34852 . A 34 GLY H . 30801 1 282 . 1 . 1 34 34 GLY HA2 H 1 3.8420 0.025 . 2 . . . . A 34 GLY HA2 . 30801 1 283 . 1 . 1 34 34 GLY CA C 13 46.8410 0.035 . 1 . . 34847 . A 34 GLY CA . 30801 1 284 . 1 . 1 34 34 GLY N N 15 110.2800 0.035 . 1 . . 34854 . A 34 GLY N . 30801 1 285 . 1 . 1 35 35 GLY H H 1 8.1690 0.025 . 1 . . 36094 . A 35 GLY H . 30801 1 286 . 1 . 1 35 35 GLY HA2 H 1 4.0960 0.025 . 2 . . 48090 . A 35 GLY HA2 . 30801 1 287 . 1 . 1 35 35 GLY HA3 H 1 3.9900 0.025 . 2 . . 48093 . A 35 GLY HA3 . 30801 1 288 . 1 . 1 35 35 GLY CA C 13 46.3660 0.035 . 1 . . 38521 . A 35 GLY CA . 30801 1 289 . 1 . 1 35 35 GLY N N 15 108.0000 0.035 . 1 . . 36095 . A 35 GLY N . 30801 1 290 . 1 . 1 36 36 GLY H H 1 10.7030 0.025 . 1 . . 36326 . A 36 GLY H . 30801 1 291 . 1 . 1 36 36 GLY HA2 H 1 4.5030 0.025 . 2 . . 48006 . A 36 GLY HA2 . 30801 1 292 . 1 . 1 36 36 GLY HA3 H 1 3.6600 0.025 . 2 . . 48009 . A 36 GLY HA3 . 30801 1 293 . 1 . 1 36 36 GLY CA C 13 45.0880 0.035 . 1 . . 36333 . A 36 GLY CA . 30801 1 294 . 1 . 1 36 36 GLY N N 15 112.1950 0.035 . 1 . . 36328 . A 36 GLY N . 30801 1 295 . 1 . 1 37 37 ASP H H 1 7.7720 0.025 . 1 . . 39840 . A 37 ASP H . 30801 1 296 . 1 . 1 37 37 ASP HA H 1 5.0600 0.025 . 1 . . 46977 . A 37 ASP HA . 30801 1 297 . 1 . 1 37 37 ASP HB2 H 1 3.0850 0.025 . 2 . . 46980 . A 37 ASP HB2 . 30801 1 298 . 1 . 1 37 37 ASP HB3 H 1 2.2300 0.025 . 2 . . 46983 . A 37 ASP HB3 . 30801 1 299 . 1 . 1 37 37 ASP CA C 13 52.7370 0.035 . 1 . . 39844 . A 37 ASP CA . 30801 1 300 . 1 . 1 37 37 ASP CB C 13 41.1510 0.035 . 1 . . 39847 . A 37 ASP CB . 30801 1 301 . 1 . 1 37 37 ASP N N 15 114.7290 0.035 . 1 . . 39842 . A 37 ASP N . 30801 1 302 . 1 . 1 38 38 ILE H H 1 9.5720 0.025 . 1 . . 33685 . A 38 ILE H . 30801 1 303 . 1 . 1 38 38 ILE HA H 1 4.9170 0.025 . 1 . . 47094 . A 38 ILE HA . 30801 1 304 . 1 . 1 38 38 ILE HB H 1 1.9300 0.025 . 1 . . . . A 38 ILE HB . 30801 1 305 . 1 . 1 38 38 ILE HG12 H 1 0.2310 0.025 . 2 . . . . A 38 ILE HG12 . 30801 1 306 . 1 . 1 38 38 ILE HG13 H 1 1.3950 0.025 . 2 . . . . A 38 ILE HG13 . 30801 1 307 . 1 . 1 38 38 ILE HG21 H 1 1.1350 0.025 . 1 . . 47097 . A 38 ILE HG21 . 30801 1 308 . 1 . 1 38 38 ILE HG22 H 1 1.1350 0.025 . 1 . . 47097 . A 38 ILE HG22 . 30801 1 309 . 1 . 1 38 38 ILE HG23 H 1 1.1350 0.025 . 1 . . 47097 . A 38 ILE HG23 . 30801 1 310 . 1 . 1 38 38 ILE HD11 H 1 0.4840 0.025 . 1 . . . . A 38 ILE HD11 . 30801 1 311 . 1 . 1 38 38 ILE HD12 H 1 0.4840 0.025 . 1 . . . . A 38 ILE HD12 . 30801 1 312 . 1 . 1 38 38 ILE HD13 H 1 0.4840 0.025 . 1 . . . . A 38 ILE HD13 . 30801 1 313 . 1 . 1 38 38 ILE CA C 13 60.1480 0.035 . 1 . . 33686 . A 38 ILE CA . 30801 1 314 . 1 . 1 38 38 ILE CB C 13 39.9030 0.035 . 1 . . 33695 . A 38 ILE CB . 30801 1 315 . 1 . 1 38 38 ILE CG1 C 13 27.0100 0.035 . 1 . . . . A 38 ILE CG1 . 30801 1 316 . 1 . 1 38 38 ILE CG2 C 13 18.2600 0.035 . 1 . . 46860 . A 38 ILE CG2 . 30801 1 317 . 1 . 1 38 38 ILE CD1 C 13 15.8700 0.035 . 1 . . . . A 38 ILE CD1 . 30801 1 318 . 1 . 1 38 38 ILE N N 15 124.7170 0.035 . 1 . . 33687 . A 38 ILE N . 30801 1 319 . 1 . 1 39 39 SER H H 1 8.8610 0.025 . 1 . . 35974 . A 39 SER H . 30801 1 320 . 1 . 1 39 39 SER HA H 1 4.4700 0.025 . 1 . . . . A 39 SER HA . 30801 1 321 . 1 . 1 39 39 SER HB2 H 1 4.0550 0.025 . 2 . . 47484 . A 39 SER HB2 . 30801 1 322 . 1 . 1 39 39 SER CA C 13 56.0400 0.035 . 1 . . 33791 . A 39 SER CA . 30801 1 323 . 1 . 1 39 39 SER CB C 13 66.4490 0.035 . 1 . . 33749 . A 39 SER CB . 30801 1 324 . 1 . 1 39 39 SER N N 15 122.8840 0.035 . 1 . . 35975 . A 39 SER N . 30801 1 325 . 1 . 1 40 40 VAL H H 1 9.2150 0.025 . 1 . . 35952 . A 40 VAL H . 30801 1 326 . 1 . 1 40 40 VAL HA H 1 3.7660 0.025 . 1 . . 47502 . A 40 VAL HA . 30801 1 327 . 1 . 1 40 40 VAL HB H 1 2.1490 0.025 . 1 . . . . A 40 VAL HB . 30801 1 328 . 1 . 1 40 40 VAL HG11 H 1 1.1510 0.025 . 2 . . . . A 40 VAL HG11 . 30801 1 329 . 1 . 1 40 40 VAL HG12 H 1 1.1510 0.025 . 2 . . . . A 40 VAL HG12 . 30801 1 330 . 1 . 1 40 40 VAL HG13 H 1 1.1510 0.025 . 2 . . . . A 40 VAL HG13 . 30801 1 331 . 1 . 1 40 40 VAL HG21 H 1 1.0550 0.025 . 2 . . . . A 40 VAL HG21 . 30801 1 332 . 1 . 1 40 40 VAL HG22 H 1 1.0550 0.025 . 2 . . . . A 40 VAL HG22 . 30801 1 333 . 1 . 1 40 40 VAL HG23 H 1 1.0550 0.025 . 2 . . . . A 40 VAL HG23 . 30801 1 334 . 1 . 1 40 40 VAL CA C 13 66.9930 0.035 . 1 . . 34217 . A 40 VAL CA . 30801 1 335 . 1 . 1 40 40 VAL CB C 13 31.9120 0.035 . 1 . . 34259 . A 40 VAL CB . 30801 1 336 . 1 . 1 40 40 VAL CG1 C 13 23.6840 0.035 . 2 . . 46776 . A 40 VAL CG1 . 30801 1 337 . 1 . 1 40 40 VAL CG2 C 13 21.1970 0.035 . 2 . . 46836 . A 40 VAL CG2 . 30801 1 338 . 1 . 1 40 40 VAL N N 15 120.3770 0.035 . 1 . . 35953 . A 40 VAL N . 30801 1 339 . 1 . 1 41 41 LYS H H 1 7.8610 0.025 . 1 . . 34219 . A 41 LYS H . 30801 1 340 . 1 . 1 41 41 LYS HA H 1 4.1710 0.025 . 1 . . 47217 . A 41 LYS HA . 30801 1 341 . 1 . 1 41 41 LYS HB2 H 1 1.7880 0.025 . 2 . . . . A 41 LYS HB2 . 30801 1 342 . 1 . 1 41 41 LYS HB3 H 1 1.9140 0.025 . 2 . . . . A 41 LYS HB3 . 30801 1 343 . 1 . 1 41 41 LYS HG2 H 1 1.5320 0.025 . 2 . . . . A 41 LYS HG2 . 30801 1 344 . 1 . 1 41 41 LYS HG3 H 1 1.3980 0.025 . 2 . . . . A 41 LYS HG3 . 30801 1 345 . 1 . 1 41 41 LYS HD2 H 1 1.8480 0.025 . 2 . . . . A 41 LYS HD2 . 30801 1 346 . 1 . 1 41 41 LYS HE2 H 1 2.9780 0.025 . 2 . . 47220 . A 41 LYS HE2 . 30801 1 347 . 1 . 1 41 41 LYS CA C 13 59.2840 0.035 . 1 . . 34232 . A 41 LYS CA . 30801 1 348 . 1 . 1 41 41 LYS CB C 13 32.7550 0.035 . 1 . . 34253 . A 41 LYS CB . 30801 1 349 . 1 . 1 41 41 LYS CG C 13 24.9810 0.035 . 1 . . 46728 . A 41 LYS CG . 30801 1 350 . 1 . 1 41 41 LYS CD C 13 29.3910 0.035 . 1 . . 46605 . A 41 LYS CD . 30801 1 351 . 1 . 1 41 41 LYS CE C 13 42.2270 0.035 . 1 . . . . A 41 LYS CE . 30801 1 352 . 1 . 1 41 41 LYS N N 15 120.3920 0.035 . 1 . . 34221 . A 41 LYS N . 30801 1 353 . 1 . 1 42 42 GLU H H 1 7.8950 0.025 . 1 . . 33892 . A 42 GLU H . 30801 1 354 . 1 . 1 42 42 GLU HA H 1 4.0580 0.025 . 1 . . . . A 42 GLU HA . 30801 1 355 . 1 . 1 42 42 GLU HB2 H 1 2.4960 0.025 . 2 . . . . A 42 GLU HB2 . 30801 1 356 . 1 . 1 42 42 GLU HB3 H 1 2.6540 0.025 . 2 . . . . A 42 GLU HB3 . 30801 1 357 . 1 . 1 42 42 GLU HG2 H 1 2.5400 0.025 . 2 . . . . A 42 GLU HG2 . 30801 1 358 . 1 . 1 42 42 GLU HG3 H 1 2.4810 0.025 . 2 . . . . A 42 GLU HG3 . 30801 1 359 . 1 . 1 42 42 GLU CA C 13 59.1120 0.035 . 1 . . 33893 . A 42 GLU CA . 30801 1 360 . 1 . 1 42 42 GLU CB C 13 29.7340 0.035 . 1 . . 33914 . A 42 GLU CB . 30801 1 361 . 1 . 1 42 42 GLU CG C 13 37.6190 0.035 . 1 . . 46416 . A 42 GLU CG . 30801 1 362 . 1 . 1 42 42 GLU N N 15 122.1570 0.035 . 1 . . 33894 . A 42 GLU N . 30801 1 363 . 1 . 1 43 43 LEU H H 1 8.8520 0.025 . 1 . . 43157 . A 43 LEU H . 30801 1 364 . 1 . 1 43 43 LEU HA H 1 4.1980 0.025 . 1 . . 46950 . A 43 LEU HA . 30801 1 365 . 1 . 1 43 43 LEU HB2 H 1 2.1340 0.025 . 2 . . . . A 43 LEU HB2 . 30801 1 366 . 1 . 1 43 43 LEU HB3 H 1 1.5630 0.025 . 2 . . . . A 43 LEU HB3 . 30801 1 367 . 1 . 1 43 43 LEU HG H 1 1.7050 0.025 . 1 . . . . A 43 LEU HG . 30801 1 368 . 1 . 1 43 43 LEU HD11 H 1 1.1100 0.025 . 2 . . . . A 43 LEU HD11 . 30801 1 369 . 1 . 1 43 43 LEU HD12 H 1 1.1100 0.025 . 2 . . . . A 43 LEU HD12 . 30801 1 370 . 1 . 1 43 43 LEU HD13 H 1 1.1100 0.025 . 2 . . . . A 43 LEU HD13 . 30801 1 371 . 1 . 1 43 43 LEU HD21 H 1 0.9750 0.025 . 2 . . . . A 43 LEU HD21 . 30801 1 372 . 1 . 1 43 43 LEU HD22 H 1 0.9750 0.025 . 2 . . . . A 43 LEU HD22 . 30801 1 373 . 1 . 1 43 43 LEU HD23 H 1 0.9750 0.025 . 2 . . . . A 43 LEU HD23 . 30801 1 374 . 1 . 1 43 43 LEU CA C 13 58.3860 0.035 . 1 . . 43167 . A 43 LEU CA . 30801 1 375 . 1 . 1 43 43 LEU CB C 13 42.6190 0.035 . 1 . . 43164 . A 43 LEU CB . 30801 1 376 . 1 . 1 43 43 LEU CG C 13 26.7071 0.035 . 1 . . . . A 43 LEU CG . 30801 1 377 . 1 . 1 43 43 LEU CD1 C 13 23.0951 0.035 . 2 . . 46785 . A 43 LEU CD1 . 30801 1 378 . 1 . 1 43 43 LEU CD2 C 13 27.0380 0.035 . 2 . . . . A 43 LEU CD2 . 30801 1 379 . 1 . 1 43 43 LEU N N 15 121.1540 0.035 . 1 . . 43159 . A 43 LEU N . 30801 1 380 . 1 . 1 44 44 GLY H H 1 8.5910 0.025 . 1 . . 36002 . A 44 GLY H . 30801 1 381 . 1 . 1 44 44 GLY HA2 H 1 3.9910 0.025 . 2 . . 47757 . A 44 GLY HA2 . 30801 1 382 . 1 . 1 44 44 GLY HA3 H 1 3.6810 0.025 . 2 . . 47760 . A 44 GLY HA3 . 30801 1 383 . 1 . 1 44 44 GLY CA C 13 48.1350 0.035 . 1 . . 33650 . A 44 GLY CA . 30801 1 384 . 1 . 1 44 44 GLY N N 15 104.3420 0.035 . 1 . . 36003 . A 44 GLY N . 30801 1 385 . 1 . 1 45 45 THR H H 1 8.0480 0.025 . 1 . . 36124 . A 45 THR H . 30801 1 386 . 1 . 1 45 45 THR HA H 1 3.9050 0.025 . 1 . . 48312 . A 45 THR HA . 30801 1 387 . 1 . 1 45 45 THR HB H 1 4.3500 0.025 . 1 . . 47319 . A 45 THR HB . 30801 1 388 . 1 . 1 45 45 THR HG21 H 1 1.2380 0.025 . 1 . . 47322 . A 45 THR HG21 . 30801 1 389 . 1 . 1 45 45 THR HG22 H 1 1.2380 0.025 . 1 . . 47322 . A 45 THR HG22 . 30801 1 390 . 1 . 1 45 45 THR HG23 H 1 1.2380 0.025 . 1 . . 47322 . A 45 THR HG23 . 30801 1 391 . 1 . 1 45 45 THR CA C 13 67.4430 0.035 . 1 . . 34496 . A 45 THR CA . 30801 1 392 . 1 . 1 45 45 THR CB C 13 68.8130 0.035 . 1 . . 34493 . A 45 THR CB . 30801 1 393 . 1 . 1 45 45 THR CG2 C 13 21.2740 0.035 . 1 . . . . A 45 THR CG2 . 30801 1 394 . 1 . 1 45 45 THR N N 15 118.2180 0.035 . 1 . . 36125 . A 45 THR N . 30801 1 395 . 1 . 1 46 46 VAL H H 1 7.4800 0.025 . 1 . . 36230 . A 46 VAL H . 30801 1 396 . 1 . 1 46 46 VAL HA H 1 3.5920 0.025 . 1 . . 47862 . A 46 VAL HA . 30801 1 397 . 1 . 1 46 46 VAL HB H 1 1.6570 0.025 . 1 . . . . A 46 VAL HB . 30801 1 398 . 1 . 1 46 46 VAL HG11 H 1 0.0800 0.025 . 2 . . 47868 . A 46 VAL HG11 . 30801 1 399 . 1 . 1 46 46 VAL HG12 H 1 0.0800 0.025 . 2 . . 47868 . A 46 VAL HG12 . 30801 1 400 . 1 . 1 46 46 VAL HG13 H 1 0.0800 0.025 . 2 . . 47868 . A 46 VAL HG13 . 30801 1 401 . 1 . 1 46 46 VAL HG21 H 1 0.5790 0.025 . 2 . . 47865 . A 46 VAL HG21 . 30801 1 402 . 1 . 1 46 46 VAL HG22 H 1 0.5790 0.025 . 2 . . 47865 . A 46 VAL HG22 . 30801 1 403 . 1 . 1 46 46 VAL HG23 H 1 0.5790 0.025 . 2 . . 47865 . A 46 VAL HG23 . 30801 1 404 . 1 . 1 46 46 VAL CA C 13 66.5380 0.035 . 1 . . 33926 . A 46 VAL CA . 30801 1 405 . 1 . 1 46 46 VAL CB C 13 31.2600 0.035 . 1 . . 33956 . A 46 VAL CB . 30801 1 406 . 1 . 1 46 46 VAL CG1 C 13 21.5510 0.035 . 2 . . 46821 . A 46 VAL CG1 . 30801 1 407 . 1 . 1 46 46 VAL CG2 C 13 23.3310 0.035 . 2 . . 46797 . A 46 VAL CG2 . 30801 1 408 . 1 . 1 46 46 VAL N N 15 121.8000 0.035 . 1 . . 36231 . A 46 VAL N . 30801 1 409 . 1 . 1 47 47 MET H H 1 8.1720 0.025 . 1 . . 38466 . A 47 MET H . 30801 1 410 . 1 . 1 47 47 MET HA H 1 3.8030 0.025 . 1 . . 47853 . A 47 MET HA . 30801 1 411 . 1 . 1 47 47 MET HB2 H 1 1.9430 0.025 . 2 . . . . A 47 MET HB2 . 30801 1 412 . 1 . 1 47 47 MET HB3 H 1 2.0750 0.025 . 2 . . . . A 47 MET HB3 . 30801 1 413 . 1 . 1 47 47 MET HG2 H 1 2.5130 0.025 . 2 . . . . A 47 MET HG2 . 30801 1 414 . 1 . 1 47 47 MET HG3 H 1 2.8790 0.025 . 2 . . . . A 47 MET HG3 . 30801 1 415 . 1 . 1 47 47 MET HE1 H 1 2.0190 0.025 . 1 . . . . A 47 MET HE1 . 30801 1 416 . 1 . 1 47 47 MET HE2 H 1 2.0190 0.025 . 1 . . . . A 47 MET HE2 . 30801 1 417 . 1 . 1 47 47 MET HE3 H 1 2.0190 0.025 . 1 . . . . A 47 MET HE3 . 30801 1 418 . 1 . 1 47 47 MET CA C 13 61.1640 0.035 . 1 . . 38476 . A 47 MET CA . 30801 1 419 . 1 . 1 47 47 MET CB C 13 31.5890 0.035 . 1 . . 38479 . A 47 MET CB . 30801 1 420 . 1 . 1 47 47 MET CG C 13 33.7050 0.035 . 1 . . . . A 47 MET CG . 30801 1 421 . 1 . 1 47 47 MET CE C 13 16.9380 0.035 . 1 . . . . A 47 MET CE . 30801 1 422 . 1 . 1 47 47 MET N N 15 117.4280 0.035 . 1 . . 38468 . A 47 MET N . 30801 1 423 . 1 . 1 48 48 ARG H H 1 8.2300 0.025 . 1 . . 36070 . A 48 ARG H . 30801 1 424 . 1 . 1 48 48 ARG HA H 1 4.7800 0.025 . 1 . . 47061 . A 48 ARG HA . 30801 1 425 . 1 . 1 48 48 ARG HB2 H 1 1.7600 0.025 . 2 . . . . A 48 ARG HB2 . 30801 1 426 . 1 . 1 48 48 ARG HB3 H 1 1.8740 0.025 . 2 . . 47067 . A 48 ARG HB3 . 30801 1 427 . 1 . 1 48 48 ARG HG2 H 1 1.7530 0.025 . 2 . . 47058 . A 48 ARG HG2 . 30801 1 428 . 1 . 1 48 48 ARG HD2 H 1 3.1950 0.025 . 2 . . 47064 . A 48 ARG HD2 . 30801 1 429 . 1 . 1 48 48 ARG HD3 H 1 3.2940 0.025 . 2 . . 47070 . A 48 ARG HD3 . 30801 1 430 . 1 . 1 48 48 ARG CA C 13 58.9860 0.035 . 1 . . 38184 . A 48 ARG CA . 30801 1 431 . 1 . 1 48 48 ARG CB C 13 28.9300 0.035 . 1 . . 38194 . A 48 ARG CB . 30801 1 432 . 1 . 1 48 48 ARG CD C 13 43.4570 0.035 . 1 . . 46272 . A 48 ARG CD . 30801 1 433 . 1 . 1 48 48 ARG N N 15 117.5970 0.035 . 1 . . 36071 . A 48 ARG N . 30801 1 434 . 1 . 1 49 49 MET H H 1 7.9770 0.025 . 1 . . 36140 . A 49 MET H . 30801 1 435 . 1 . 1 49 49 MET HA H 1 4.1350 0.025 . 1 . . 47844 . A 49 MET HA . 30801 1 436 . 1 . 1 49 49 MET HB2 H 1 2.3050 0.025 . 2 . . . . A 49 MET HB2 . 30801 1 437 . 1 . 1 49 49 MET HB3 H 1 2.2580 0.025 . 2 . . . . A 49 MET HB3 . 30801 1 438 . 1 . 1 49 49 MET HG2 H 1 2.6740 0.025 . 2 . . 47847 . A 49 MET HG2 . 30801 1 439 . 1 . 1 49 49 MET HG3 H 1 2.5430 0.025 . 2 . . 47850 . A 49 MET HG3 . 30801 1 440 . 1 . 1 49 49 MET HE1 H 1 1.9800 0.025 . 1 . . . . A 49 MET HE1 . 30801 1 441 . 1 . 1 49 49 MET HE2 H 1 1.9800 0.025 . 1 . . . . A 49 MET HE2 . 30801 1 442 . 1 . 1 49 49 MET HE3 H 1 1.9800 0.025 . 1 . . . . A 49 MET HE3 . 30801 1 443 . 1 . 1 49 49 MET CA C 13 58.8690 0.035 . 1 . . 33728 . A 49 MET CA . 30801 1 444 . 1 . 1 49 49 MET CB C 13 32.2710 0.035 . 1 . . 33731 . A 49 MET CB . 30801 1 445 . 1 . 1 49 49 MET CG C 13 31.6100 0.035 . 1 . . . . A 49 MET CG . 30801 1 446 . 1 . 1 49 49 MET CE C 13 16.7480 0.035 . 1 . . . . A 49 MET CE . 30801 1 447 . 1 . 1 49 49 MET N N 15 123.3260 0.035 . 1 . . 36141 . A 49 MET N . 30801 1 448 . 1 . 1 50 50 LEU H H 1 7.6230 0.025 . 1 . . 34546 . A 50 LEU H . 30801 1 449 . 1 . 1 50 50 LEU HA H 1 4.2630 0.025 . 1 . . 48258 . A 50 LEU HA . 30801 1 450 . 1 . 1 50 50 LEU HB2 H 1 1.8320 0.025 . 2 . . . . A 50 LEU HB2 . 30801 1 451 . 1 . 1 50 50 LEU HB3 H 1 1.6900 0.025 . 2 . . . . A 50 LEU HB3 . 30801 1 452 . 1 . 1 50 50 LEU HG H 1 1.7600 0.025 . 1 . . . . A 50 LEU HG . 30801 1 453 . 1 . 1 50 50 LEU HD11 H 1 0.6790 0.025 . 2 . . 48267 . A 50 LEU HD11 . 30801 1 454 . 1 . 1 50 50 LEU HD12 H 1 0.6790 0.025 . 2 . . 48267 . A 50 LEU HD12 . 30801 1 455 . 1 . 1 50 50 LEU HD13 H 1 0.6790 0.025 . 2 . . 48267 . A 50 LEU HD13 . 30801 1 456 . 1 . 1 50 50 LEU HD21 H 1 0.6180 0.025 . 2 . . . . A 50 LEU HD21 . 30801 1 457 . 1 . 1 50 50 LEU HD22 H 1 0.6180 0.025 . 2 . . . . A 50 LEU HD22 . 30801 1 458 . 1 . 1 50 50 LEU HD23 H 1 0.6180 0.025 . 2 . . . . A 50 LEU HD23 . 30801 1 459 . 1 . 1 50 50 LEU CA C 13 54.8170 0.035 . 1 . . 34547 . A 50 LEU CA . 30801 1 460 . 1 . 1 50 50 LEU CB C 13 41.6530 0.035 . 1 . . 34580 . A 50 LEU CB . 30801 1 461 . 1 . 1 50 50 LEU CG C 13 26.2800 0.035 . 1 . . . . A 50 LEU CG . 30801 1 462 . 1 . 1 50 50 LEU CD1 C 13 22.8690 0.035 . 2 . . 46806 . A 50 LEU CD1 . 30801 1 463 . 1 . 1 50 50 LEU CD2 C 13 26.2500 0.035 . 2 . . 46701 . A 50 LEU CD2 . 30801 1 464 . 1 . 1 50 50 LEU N N 15 117.6480 0.035 . 1 . . 34548 . A 50 LEU N . 30801 1 465 . 1 . 1 51 51 GLY H H 1 7.8120 0.025 . 1 . . 39688 . A 51 GLY H . 30801 1 466 . 1 . 1 51 51 GLY HA2 H 1 3.7600 0.025 . 2 . . . . A 51 GLY HA2 . 30801 1 467 . 1 . 1 51 51 GLY HA3 H 1 4.2680 0.025 . 2 . . . . A 51 GLY HA3 . 30801 1 468 . 1 . 1 51 51 GLY CA C 13 45.6480 0.035 . 1 . . 39698 . A 51 GLY CA . 30801 1 469 . 1 . 1 51 51 GLY N N 15 106.8870 0.035 . 1 . . 39690 . A 51 GLY N . 30801 1 470 . 1 . 1 52 52 GLN H H 1 8.2280 0.025 . 1 . . 36064 . A 52 GLN H . 30801 1 471 . 1 . 1 52 52 GLN HA H 1 4.5490 0.025 . 1 . . 48138 . A 52 GLN HA . 30801 1 472 . 1 . 1 52 52 GLN HB2 H 1 2.0790 0.025 . 2 . . . . A 52 GLN HB2 . 30801 1 473 . 1 . 1 52 52 GLN HB3 H 1 1.8520 0.025 . 2 . . . . A 52 GLN HB3 . 30801 1 474 . 1 . 1 52 52 GLN HG2 H 1 2.2480 0.025 . 2 . . 48141 . A 52 GLN HG2 . 30801 1 475 . 1 . 1 52 52 GLN HG3 H 1 2.1960 0.025 . 2 . . . . A 52 GLN HG3 . 30801 1 476 . 1 . 1 52 52 GLN HE21 H 1 6.5850 0.025 . 2 . . . . A 52 GLN HE21 . 30801 1 477 . 1 . 1 52 52 GLN HE22 H 1 7.0920 0.025 . 2 . . . . A 52 GLN HE22 . 30801 1 478 . 1 . 1 52 52 GLN CA C 13 54.5710 0.035 . 1 . . 34376 . A 52 GLN CA . 30801 1 479 . 1 . 1 52 52 GLN CB C 13 30.5130 0.035 . 1 . . 34418 . A 52 GLN CB . 30801 1 480 . 1 . 1 52 52 GLN CG C 13 33.9710 0.035 . 1 . . 46491 . A 52 GLN CG . 30801 1 481 . 1 . 1 52 52 GLN N N 15 119.4770 0.035 . 1 . . 36065 . A 52 GLN N . 30801 1 482 . 1 . 1 52 52 GLN NE2 N 15 107.9680 0.035 . 1 . . . . A 52 GLN NE2 . 30801 1 483 . 1 . 1 53 53 THR H H 1 8.6210 0.025 . 1 . . 35839 . A 53 THR H . 30801 1 484 . 1 . 1 53 53 THR HA H 1 4.7320 0.025 . 1 . . . . A 53 THR HA . 30801 1 485 . 1 . 1 53 53 THR HB H 1 4.3090 0.025 . 1 . . . . A 53 THR HB . 30801 1 486 . 1 . 1 53 53 THR HG21 H 1 1.0640 0.025 . 1 . . . . A 53 THR HG21 . 30801 1 487 . 1 . 1 53 53 THR HG22 H 1 1.0640 0.025 . 1 . . . . A 53 THR HG22 . 30801 1 488 . 1 . 1 53 53 THR HG23 H 1 1.0640 0.025 . 1 . . . . A 53 THR HG23 . 30801 1 489 . 1 . 1 53 53 THR CA C 13 58.1020 0.035 . 1 . . 34844 . A 53 THR CA . 30801 1 490 . 1 . 1 53 53 THR CB C 13 69.1920 0.035 . 1 . . 34835 . A 53 THR CB . 30801 1 491 . 1 . 1 53 53 THR CG2 C 13 21.2600 0.035 . 1 . . . . A 53 THR CG2 . 30801 1 492 . 1 . 1 53 53 THR N N 15 110.4500 0.035 . 1 . . 35841 . A 53 THR N . 30801 1 493 . 1 . 1 54 54 PRO HA H 1 4.8040 0.025 . 1 . . 48063 . A 54 PRO HA . 30801 1 494 . 1 . 1 54 54 PRO HB2 H 1 2.1030 0.025 . 2 . . . . A 54 PRO HB2 . 30801 1 495 . 1 . 1 54 54 PRO HB3 H 1 2.0070 0.025 . 2 . . . . A 54 PRO HB3 . 30801 1 496 . 1 . 1 54 54 PRO HG2 H 1 2.2040 0.025 . 2 . . . . A 54 PRO HG2 . 30801 1 497 . 1 . 1 54 54 PRO HG3 H 1 2.0380 0.025 . 2 . . . . A 54 PRO HG3 . 30801 1 498 . 1 . 1 54 54 PRO HD2 H 1 3.2240 0.025 . 2 . . . . A 54 PRO HD2 . 30801 1 499 . 1 . 1 54 54 PRO HD3 H 1 3.6430 0.025 . 2 . . . . A 54 PRO HD3 . 30801 1 500 . 1 . 1 54 54 PRO CA C 13 62.3190 0.035 . 1 . . 37048 . A 54 PRO CA . 30801 1 501 . 1 . 1 54 54 PRO CB C 13 32.2280 0.035 . 1 . . 37054 . A 54 PRO CB . 30801 1 502 . 1 . 1 54 54 PRO CG C 13 27.3010 0.035 . 1 . . 46680 . A 54 PRO CG . 30801 1 503 . 1 . 1 54 54 PRO CD C 13 50.1050 0.035 . 1 . . . . A 54 PRO CD . 30801 1 504 . 1 . 1 55 55 THR H H 1 8.5000 0.025 . 1 . . 37038 . A 55 THR H . 30801 1 505 . 1 . 1 55 55 THR HA H 1 4.5120 0.025 . 1 . . . . A 55 THR HA . 30801 1 506 . 1 . 1 55 55 THR HB H 1 4.8330 0.025 . 1 . . . . A 55 THR HB . 30801 1 507 . 1 . 1 55 55 THR HG21 H 1 1.3670 0.025 . 1 . . . . A 55 THR HG21 . 30801 1 508 . 1 . 1 55 55 THR HG22 H 1 1.3670 0.025 . 1 . . . . A 55 THR HG22 . 30801 1 509 . 1 . 1 55 55 THR HG23 H 1 1.3670 0.025 . 1 . . . . A 55 THR HG23 . 30801 1 510 . 1 . 1 55 55 THR CA C 13 60.2150 0.035 . 1 . . 37051 . A 55 THR CA . 30801 1 511 . 1 . 1 55 55 THR CB C 13 71.5400 0.035 . 1 . . 37045 . A 55 THR CB . 30801 1 512 . 1 . 1 55 55 THR CG2 C 13 22.0540 0.035 . 1 . . 46809 . A 55 THR CG2 . 30801 1 513 . 1 . 1 55 55 THR N N 15 112.4970 0.035 . 1 . . 37040 . A 55 THR N . 30801 1 514 . 1 . 1 56 56 LYS H H 1 8.8450 0.025 . 1 . . 35266 . A 56 LYS H . 30801 1 515 . 1 . 1 56 56 LYS HA H 1 3.9260 0.025 . 1 . . 47880 . A 56 LYS HA . 30801 1 516 . 1 . 1 56 56 LYS HB2 H 1 2.0170 0.025 . 2 . . 47895 . A 56 LYS HB2 . 30801 1 517 . 1 . 1 56 56 LYS HB3 H 1 1.8130 0.025 . 2 . . 47883 . A 56 LYS HB3 . 30801 1 518 . 1 . 1 56 56 LYS HG2 H 1 1.5040 0.025 . 2 . . 47886 . A 56 LYS HG2 . 30801 1 519 . 1 . 1 56 56 LYS HD2 H 1 1.6450 0.025 . 2 . . 47898 . A 56 LYS HD2 . 30801 1 520 . 1 . 1 56 56 LYS HD3 H 1 1.7550 0.025 . 2 . . . . A 56 LYS HD3 . 30801 1 521 . 1 . 1 56 56 LYS HE2 H 1 3.0380 0.025 . 2 . . . . A 56 LYS HE2 . 30801 1 522 . 1 . 1 56 56 LYS CA C 13 60.1640 0.035 . 1 . . 33890 . A 56 LYS CA . 30801 1 523 . 1 . 1 56 56 LYS CB C 13 32.3040 0.035 . 1 . . 33908 . A 56 LYS CB . 30801 1 524 . 1 . 1 56 56 LYS CG C 13 24.8690 0.035 . 1 . . 46746 . A 56 LYS CG . 30801 1 525 . 1 . 1 56 56 LYS CD C 13 28.8150 0.035 . 1 . . 46638 . A 56 LYS CD . 30801 1 526 . 1 . 1 56 56 LYS CE C 13 42.4600 0.035 . 1 . . 48315 . A 56 LYS CE . 30801 1 527 . 1 . 1 56 56 LYS N N 15 122.1440 0.035 . 1 . . 35268 . A 56 LYS N . 30801 1 528 . 1 . 1 57 57 GLU H H 1 8.7840 0.025 . 1 . . 35982 . A 57 GLU H . 30801 1 529 . 1 . 1 57 57 GLU HA H 1 4.1110 0.025 . 1 . . 47406 . A 57 GLU HA . 30801 1 530 . 1 . 1 57 57 GLU HB2 H 1 2.0850 0.025 . 2 . . . . A 57 GLU HB2 . 30801 1 531 . 1 . 1 57 57 GLU HB3 H 1 1.9490 0.025 . 2 . . . . A 57 GLU HB3 . 30801 1 532 . 1 . 1 57 57 GLU HG2 H 1 2.4830 0.025 . 2 . . 47409 . A 57 GLU HG2 . 30801 1 533 . 1 . 1 57 57 GLU HG3 H 1 2.3300 0.025 . 2 . . 47412 . A 57 GLU HG3 . 30801 1 534 . 1 . 1 57 57 GLU CA C 13 60.2070 0.035 . 1 . . 34610 . A 57 GLU CA . 30801 1 535 . 1 . 1 57 57 GLU CB C 13 28.7950 0.035 . 1 . . 34604 . A 57 GLU CB . 30801 1 536 . 1 . 1 57 57 GLU CG C 13 37.3320 0.035 . 1 . . 46422 . A 57 GLU CG . 30801 1 537 . 1 . 1 57 57 GLU N N 15 117.1580 0.035 . 1 . . 35983 . A 57 GLU N . 30801 1 538 . 1 . 1 58 58 GLU H H 1 7.7540 0.025 . 1 . . 35386 . A 58 GLU H . 30801 1 539 . 1 . 1 58 58 GLU HA H 1 3.9620 0.025 . 1 . . 47616 . A 58 GLU HA . 30801 1 540 . 1 . 1 58 58 GLU HB2 H 1 1.9520 0.025 . 2 . . . . A 58 GLU HB2 . 30801 1 541 . 1 . 1 58 58 GLU HB3 H 1 2.3480 0.025 . 2 . . . . A 58 GLU HB3 . 30801 1 542 . 1 . 1 58 58 GLU HG2 H 1 2.3730 0.025 . 2 . . 47619 . A 58 GLU HG2 . 30801 1 543 . 1 . 1 58 58 GLU HG3 H 1 2.2410 0.025 . 2 . . 47622 . A 58 GLU HG3 . 30801 1 544 . 1 . 1 58 58 GLU CA C 13 59.2190 0.035 . 1 . . 34070 . A 58 GLU CA . 30801 1 545 . 1 . 1 58 58 GLU CB C 13 30.0610 0.035 . 1 . . 34088 . A 58 GLU CB . 30801 1 546 . 1 . 1 58 58 GLU CG C 13 37.4680 0.035 . 1 . . 46425 . A 58 GLU CG . 30801 1 547 . 1 . 1 58 58 GLU N N 15 121.1130 0.035 . 1 . . 35388 . A 58 GLU N . 30801 1 548 . 1 . 1 59 59 LEU H H 1 8.0480 0.025 . 1 . . 34321 . A 59 LEU H . 30801 1 549 . 1 . 1 59 59 LEU HA H 1 3.9990 0.025 . 1 . . 47766 . A 59 LEU HA . 30801 1 550 . 1 . 1 59 59 LEU HB2 H 1 2.1840 0.025 . 2 . . . . A 59 LEU HB2 . 30801 1 551 . 1 . 1 59 59 LEU HB3 H 1 1.3690 0.025 . 2 . . . . A 59 LEU HB3 . 30801 1 552 . 1 . 1 59 59 LEU HG H 1 1.8160 0.025 . 1 . . . . A 59 LEU HG . 30801 1 553 . 1 . 1 59 59 LEU HD11 H 1 0.8860 0.025 . 2 . . 47781 . A 59 LEU HD11 . 30801 1 554 . 1 . 1 59 59 LEU HD12 H 1 0.8860 0.025 . 2 . . 47781 . A 59 LEU HD12 . 30801 1 555 . 1 . 1 59 59 LEU HD13 H 1 0.8860 0.025 . 2 . . 47781 . A 59 LEU HD13 . 30801 1 556 . 1 . 1 59 59 LEU HD21 H 1 0.8710 0.025 . 2 . . . . A 59 LEU HD21 . 30801 1 557 . 1 . 1 59 59 LEU HD22 H 1 0.8710 0.025 . 2 . . . . A 59 LEU HD22 . 30801 1 558 . 1 . 1 59 59 LEU HD23 H 1 0.8710 0.025 . 2 . . . . A 59 LEU HD23 . 30801 1 559 . 1 . 1 59 59 LEU CA C 13 58.3610 0.035 . 1 . . 39211 . A 59 LEU CA . 30801 1 560 . 1 . 1 59 59 LEU CB C 13 42.0490 0.035 . 1 . . 34346 . A 59 LEU CB . 30801 1 561 . 1 . 1 59 59 LEU CG C 13 26.9300 0.035 . 1 . . . . A 59 LEU CG . 30801 1 562 . 1 . 1 59 59 LEU CD1 C 13 26.2000 0.035 . 2 . . 46710 . A 59 LEU CD1 . 30801 1 563 . 1 . 1 59 59 LEU CD2 C 13 24.8000 0.035 . 2 . . 46764 . A 59 LEU CD2 . 30801 1 564 . 1 . 1 59 59 LEU N N 15 119.7240 0.035 . 1 . . 34323 . A 59 LEU N . 30801 1 565 . 1 . 1 60 60 ASP H H 1 8.2460 0.025 . 1 . . 36056 . A 60 ASP H . 30801 1 566 . 1 . 1 60 60 ASP HA H 1 4.2870 0.025 . 1 . . 47247 . A 60 ASP HA . 30801 1 567 . 1 . 1 60 60 ASP HB2 H 1 2.6940 0.025 . 2 . . 47250 . A 60 ASP HB2 . 30801 1 568 . 1 . 1 60 60 ASP HB3 H 1 2.6400 0.025 . 2 . . . . A 60 ASP HB3 . 30801 1 569 . 1 . 1 60 60 ASP CA C 13 57.4060 0.035 . 1 . . 34502 . A 60 ASP CA . 30801 1 570 . 1 . 1 60 60 ASP CB C 13 40.1930 0.035 . 1 . . 34511 . A 60 ASP CB . 30801 1 571 . 1 . 1 60 60 ASP N N 15 117.8780 0.035 . 1 . . 36057 . A 60 ASP N . 30801 1 572 . 1 . 1 61 61 ALA H H 1 7.6870 0.025 . 1 . . 36190 . A 61 ALA H . 30801 1 573 . 1 . 1 61 61 ALA HA H 1 4.1650 0.025 . 1 . . . . A 61 ALA HA . 30801 1 574 . 1 . 1 61 61 ALA HB1 H 1 1.4960 0.025 . 1 . . 47478 . A 61 ALA HB1 . 30801 1 575 . 1 . 1 61 61 ALA HB2 H 1 1.4960 0.025 . 1 . . 47478 . A 61 ALA HB2 . 30801 1 576 . 1 . 1 61 61 ALA HB3 H 1 1.4960 0.025 . 1 . . 47478 . A 61 ALA HB3 . 30801 1 577 . 1 . 1 61 61 ALA CA C 13 54.9720 0.035 . 1 . . 33974 . A 61 ALA CA . 30801 1 578 . 1 . 1 61 61 ALA CB C 13 18.4370 0.035 . 1 . . 34004 . A 61 ALA CB . 30801 1 579 . 1 . 1 61 61 ALA N N 15 121.7860 0.035 . 1 . . 36191 . A 61 ALA N . 30801 1 580 . 1 . 1 62 62 ILE H H 1 7.9890 0.025 . 1 . . 36138 . A 62 ILE H . 30801 1 581 . 1 . 1 62 62 ILE HA H 1 3.5580 0.025 . 1 . . 47871 . A 62 ILE HA . 30801 1 582 . 1 . 1 62 62 ILE HB H 1 1.9670 0.025 . 1 . . 48378 . A 62 ILE HB . 30801 1 583 . 1 . 1 62 62 ILE HG12 H 1 1.9330 0.025 . 2 . . . . A 62 ILE HG12 . 30801 1 584 . 1 . 1 62 62 ILE HG13 H 1 0.8830 0.025 . 2 . . . . A 62 ILE HG13 . 30801 1 585 . 1 . 1 62 62 ILE HG21 H 1 0.8760 0.025 . 1 . . . . A 62 ILE HG21 . 30801 1 586 . 1 . 1 62 62 ILE HG22 H 1 0.8760 0.025 . 1 . . . . A 62 ILE HG22 . 30801 1 587 . 1 . 1 62 62 ILE HG23 H 1 0.8760 0.025 . 1 . . . . A 62 ILE HG23 . 30801 1 588 . 1 . 1 62 62 ILE HD11 H 1 0.8690 0.025 . 1 . . 47874 . A 62 ILE HD11 . 30801 1 589 . 1 . 1 62 62 ILE HD12 H 1 0.8690 0.025 . 1 . . 47874 . A 62 ILE HD12 . 30801 1 590 . 1 . 1 62 62 ILE HD13 H 1 0.8690 0.025 . 1 . . 47874 . A 62 ILE HD13 . 30801 1 591 . 1 . 1 62 62 ILE CA C 13 65.5740 0.035 . 1 . . 34190 . A 62 ILE CA . 30801 1 592 . 1 . 1 62 62 ILE CB C 13 38.2360 0.035 . 1 . . 34208 . A 62 ILE CB . 30801 1 593 . 1 . 1 62 62 ILE CG1 C 13 30.0440 0.035 . 1 . . . . A 62 ILE CG1 . 30801 1 594 . 1 . 1 62 62 ILE CG2 C 13 14.5060 0.035 . 1 . . . . A 62 ILE CG2 . 30801 1 595 . 1 . 1 62 62 ILE CD1 C 13 18.3950 0.035 . 1 . . 46875 . A 62 ILE CD1 . 30801 1 596 . 1 . 1 62 62 ILE N N 15 120.5490 0.035 . 1 . . 36139 . A 62 ILE N . 30801 1 597 . 1 . 1 63 63 ILE H H 1 7.5430 0.025 . 1 . . 36218 . A 63 ILE H . 30801 1 598 . 1 . 1 63 63 ILE HA H 1 3.4240 0.025 . 1 . . 47853 . A 63 ILE HA . 30801 1 599 . 1 . 1 63 63 ILE HB H 1 1.9980 0.025 . 1 . . 47811 . A 63 ILE HB . 30801 1 600 . 1 . 1 63 63 ILE HG12 H 1 1.7550 0.025 . 2 . . . . A 63 ILE HG12 . 30801 1 601 . 1 . 1 63 63 ILE HG13 H 1 1.0140 0.025 . 2 . . . . A 63 ILE HG13 . 30801 1 602 . 1 . 1 63 63 ILE HG21 H 1 0.6380 0.025 . 1 . . . . A 63 ILE HG21 . 30801 1 603 . 1 . 1 63 63 ILE HG22 H 1 0.6380 0.025 . 1 . . . . A 63 ILE HG22 . 30801 1 604 . 1 . 1 63 63 ILE HG23 H 1 0.6380 0.025 . 1 . . . . A 63 ILE HG23 . 30801 1 605 . 1 . 1 63 63 ILE HD11 H 1 0.7780 0.025 . 1 . . . . A 63 ILE HD11 . 30801 1 606 . 1 . 1 63 63 ILE HD12 H 1 0.7780 0.025 . 1 . . . . A 63 ILE HD12 . 30801 1 607 . 1 . 1 63 63 ILE HD13 H 1 0.7780 0.025 . 1 . . . . A 63 ILE HD13 . 30801 1 608 . 1 . 1 63 63 ILE CA C 13 65.1580 0.035 . 1 . . 34589 . A 63 ILE CA . 30801 1 609 . 1 . 1 63 63 ILE CB C 13 37.6060 0.035 . 1 . . 34595 . A 63 ILE CB . 30801 1 610 . 1 . 1 63 63 ILE CG1 C 13 29.3350 0.035 . 1 . . 46611 . A 63 ILE CG1 . 30801 1 611 . 1 . 1 63 63 ILE CG2 C 13 16.5740 0.035 . 1 . . 46896 . A 63 ILE CG2 . 30801 1 612 . 1 . 1 63 63 ILE CD1 C 13 12.2630 0.035 . 1 . . 50756 . A 63 ILE CD1 . 30801 1 613 . 1 . 1 63 63 ILE N N 15 117.4060 0.035 . 1 . . 36219 . A 63 ILE N . 30801 1 614 . 1 . 1 64 64 GLU H H 1 8.2030 0.025 . 1 . . 34522 . A 64 GLU H . 30801 1 615 . 1 . 1 64 64 GLU HA H 1 3.9820 0.025 . 1 . . 47985 . A 64 GLU HA . 30801 1 616 . 1 . 1 64 64 GLU HB2 H 1 2.0890 0.025 . 2 . . 47991 . A 64 GLU HB2 . 30801 1 617 . 1 . 1 64 64 GLU HB3 H 1 2.1420 0.025 . 2 . . . . A 64 GLU HB3 . 30801 1 618 . 1 . 1 64 64 GLU HG2 H 1 2.3930 0.025 . 2 . . 47988 . A 64 GLU HG2 . 30801 1 619 . 1 . 1 64 64 GLU HG3 H 1 2.2900 0.025 . 2 . . 47973 . A 64 GLU HG3 . 30801 1 620 . 1 . 1 64 64 GLU CA C 13 59.2700 0.035 . 1 . . 34538 . A 64 GLU CA . 30801 1 621 . 1 . 1 64 64 GLU CB C 13 29.7750 0.035 . 1 . . 34571 . A 64 GLU CB . 30801 1 622 . 1 . 1 64 64 GLU CG C 13 36.4850 0.035 . 1 . . 46443 . A 64 GLU CG . 30801 1 623 . 1 . 1 64 64 GLU N N 15 117.7510 0.035 . 1 . . 34524 . A 64 GLU N . 30801 1 624 . 1 . 1 65 65 GLU H H 1 7.5730 0.025 . 1 . . 35737 . A 65 GLU H . 30801 1 625 . 1 . 1 65 65 GLU HA H 1 3.9460 0.025 . 1 . . 48297 . A 65 GLU HA . 30801 1 626 . 1 . 1 65 65 GLU HB2 H 1 2.2160 0.025 . 2 . . . . A 65 GLU HB2 . 30801 1 627 . 1 . 1 65 65 GLU HB3 H 1 1.9080 0.025 . 2 . . 48300 . A 65 GLU HB3 . 30801 1 628 . 1 . 1 65 65 GLU HG2 H 1 2.6680 0.025 . 2 . . 48291 . A 65 GLU HG2 . 30801 1 629 . 1 . 1 65 65 GLU HG3 H 1 2.1850 0.025 . 2 . . . . A 65 GLU HG3 . 30801 1 630 . 1 . 1 65 65 GLU CA C 13 59.3670 0.035 . 1 . . 34700 . A 65 GLU CA . 30801 1 631 . 1 . 1 65 65 GLU CB C 13 30.4470 0.035 . 1 . . 34712 . A 65 GLU CB . 30801 1 632 . 1 . 1 65 65 GLU CG C 13 37.0680 0.035 . 1 . . 46428 . A 65 GLU CG . 30801 1 633 . 1 . 1 65 65 GLU N N 15 115.3350 0.035 . 1 . . 35739 . A 65 GLU N . 30801 1 634 . 1 . 1 66 66 VAL H H 1 7.1740 0.025 . 1 . . 36250 . A 66 VAL H . 30801 1 635 . 1 . 1 66 66 VAL HA H 1 4.6740 0.025 . 1 . . 47313 . A 66 VAL HA . 30801 1 636 . 1 . 1 66 66 VAL HB H 1 2.5260 0.025 . 1 . . . . A 66 VAL HB . 30801 1 637 . 1 . 1 66 66 VAL HG11 H 1 0.8130 0.025 . 2 . . 47316 . A 66 VAL HG11 . 30801 1 638 . 1 . 1 66 66 VAL HG12 H 1 0.8130 0.025 . 2 . . 47316 . A 66 VAL HG12 . 30801 1 639 . 1 . 1 66 66 VAL HG13 H 1 0.8130 0.025 . 2 . . 47316 . A 66 VAL HG13 . 30801 1 640 . 1 . 1 66 66 VAL HG21 H 1 0.8910 0.025 . 2 . . . . A 66 VAL HG21 . 30801 1 641 . 1 . 1 66 66 VAL HG22 H 1 0.8910 0.025 . 2 . . . . A 66 VAL HG22 . 30801 1 642 . 1 . 1 66 66 VAL HG23 H 1 0.8910 0.025 . 2 . . . . A 66 VAL HG23 . 30801 1 643 . 1 . 1 66 66 VAL CA C 13 60.8360 0.035 . 1 . . 35000 . A 66 VAL CA . 30801 1 644 . 1 . 1 66 66 VAL CB C 13 33.4860 0.035 . 1 . . 35003 . A 66 VAL CB . 30801 1 645 . 1 . 1 66 66 VAL CG1 C 13 21.7350 0.035 . 2 . . 46815 . A 66 VAL CG1 . 30801 1 646 . 1 . 1 66 66 VAL CG2 C 13 18.8380 0.035 . 2 . . 46851 . A 66 VAL CG2 . 30801 1 647 . 1 . 1 66 66 VAL N N 15 106.0680 0.035 . 1 . . 36251 . A 66 VAL N . 30801 1 648 . 1 . 1 67 67 ASP H H 1 7.7470 0.025 . 1 . . 35329 . A 67 ASP H . 30801 1 649 . 1 . 1 67 67 ASP HA H 1 4.7190 0.025 . 1 . . 48279 . A 67 ASP HA . 30801 1 650 . 1 . 1 67 67 ASP HB2 H 1 2.6740 0.025 . 2 . . 48282 . A 67 ASP HB2 . 30801 1 651 . 1 . 1 67 67 ASP HB3 H 1 2.7170 0.025 . 2 . . . . A 67 ASP HB3 . 30801 1 652 . 1 . 1 67 67 ASP CA C 13 53.8340 0.035 . 1 . . 33977 . A 67 ASP CA . 30801 1 653 . 1 . 1 67 67 ASP CB C 13 40.7540 0.035 . 1 . . 33989 . A 67 ASP CB . 30801 1 654 . 1 . 1 67 67 ASP CG C 13 2.6830 0.035 . 1 . . . . A 67 ASP CG . 30801 1 655 . 1 . 1 67 67 ASP N N 15 121.6790 0.035 . 1 . . 35331 . A 67 ASP N . 30801 1 656 . 1 . 1 68 68 GLU H H 1 8.6140 0.025 . 1 . . 35998 . A 68 GLU H . 30801 1 657 . 1 . 1 68 68 GLU HA H 1 4.2200 0.025 . 1 . . 48003 . A 68 GLU HA . 30801 1 658 . 1 . 1 68 68 GLU HB2 H 1 2.0380 0.025 . 2 . . 48018 . A 68 GLU HB2 . 30801 1 659 . 1 . 1 68 68 GLU HG2 H 1 2.3530 0.025 . 2 . . 48015 . A 68 GLU HG2 . 30801 1 660 . 1 . 1 68 68 GLU HG3 H 1 2.2200 0.025 . 2 . . . . A 68 GLU HG3 . 30801 1 661 . 1 . 1 68 68 GLU CA C 13 59.3060 0.035 . 1 . . 34973 . A 68 GLU CA . 30801 1 662 . 1 . 1 68 68 GLU CB C 13 31.8310 0.035 . 1 . . 34985 . A 68 GLU CB . 30801 1 663 . 1 . 1 68 68 GLU CG C 13 38.8780 0.035 . 1 . . 46404 . A 68 GLU CG . 30801 1 664 . 1 . 1 68 68 GLU N N 15 127.4660 0.035 . 1 . . 35999 . A 68 GLU N . 30801 1 665 . 1 . 1 69 69 ASP H H 1 7.9760 0.025 . 1 . . 36144 . A 69 ASP H . 30801 1 666 . 1 . 1 69 69 ASP HA H 1 4.7540 0.025 . 1 . . 48180 . A 69 ASP HA . 30801 1 667 . 1 . 1 69 69 ASP HB2 H 1 3.1220 0.025 . 2 . . 48183 . A 69 ASP HB2 . 30801 1 668 . 1 . 1 69 69 ASP HB3 H 1 2.7870 0.025 . 2 . . 48186 . A 69 ASP HB3 . 30801 1 669 . 1 . 1 69 69 ASP CA C 13 52.4470 0.035 . 1 . . 41843 . A 69 ASP CA . 30801 1 670 . 1 . 1 69 69 ASP CB C 13 40.1670 0.035 . 1 . . 41845 . A 69 ASP CB . 30801 1 671 . 1 . 1 69 69 ASP N N 15 114.6390 0.035 . 1 . . 36145 . A 69 ASP N . 30801 1 672 . 1 . 1 70 70 GLY H H 1 7.7350 0.025 . 1 . . 35854 . A 70 GLY H . 30801 1 673 . 1 . 1 70 70 GLY HA2 H 1 3.8310 0.025 . 2 . . 47916 . A 70 GLY HA2 . 30801 1 674 . 1 . 1 70 70 GLY HA3 H 1 3.8750 0.025 . 2 . . . . A 70 GLY HA3 . 30801 1 675 . 1 . 1 70 70 GLY CA C 13 47.2660 0.035 . 1 . . 34871 . A 70 GLY CA . 30801 1 676 . 1 . 1 70 70 GLY N N 15 108.8890 0.035 . 1 . . 35856 . A 70 GLY N . 30801 1 677 . 1 . 1 71 71 SER H H 1 8.5560 0.025 . 1 . . 36012 . A 71 SER H . 30801 1 678 . 1 . 1 71 71 SER HA H 1 4.2330 0.025 . 1 . . 47913 . A 71 SER HA . 30801 1 679 . 1 . 1 71 71 SER HB2 H 1 4.2270 0.025 . 2 . . . . A 71 SER HB2 . 30801 1 680 . 1 . 1 71 71 SER HB3 H 1 3.9570 0.025 . 2 . . . . A 71 SER HB3 . 30801 1 681 . 1 . 1 71 71 SER CA C 13 60.1290 0.035 . 1 . . 34640 . A 71 SER CA . 30801 1 682 . 1 . 1 71 71 SER CB C 13 64.9570 0.035 . 1 . . 34631 . A 71 SER CB . 30801 1 683 . 1 . 1 71 71 SER N N 15 116.7740 0.035 . 1 . . 36013 . A 71 SER N . 30801 1 684 . 1 . 1 72 72 GLY H H 1 11.0000 0.025 . 1 . . 34636 . A 72 GLY H . 30801 1 685 . 1 . 1 72 72 GLY HA2 H 1 4.1240 0.025 . 2 . . 48249 . A 72 GLY HA2 . 30801 1 686 . 1 . 1 72 72 GLY HA3 H 1 3.4370 0.025 . 2 . . 48246 . A 72 GLY HA3 . 30801 1 687 . 1 . 1 72 72 GLY CA C 13 45.8640 0.035 . 1 . . 34655 . A 72 GLY CA . 30801 1 688 . 1 . 1 72 72 GLY N N 15 116.7620 0.035 . 1 . . 34638 . A 72 GLY N . 30801 1 689 . 1 . 1 73 73 THR H H 1 7.6620 0.025 . 1 . . 34948 . A 73 THR H . 30801 1 690 . 1 . 1 73 73 THR HA H 1 4.9470 0.025 . 1 . . . . A 73 THR HA . 30801 1 691 . 1 . 1 73 73 THR HB H 1 3.6490 0.025 . 1 . . 46968 . A 73 THR HB . 30801 1 692 . 1 . 1 73 73 THR HG21 H 1 1.0320 0.025 . 1 . . 48384 . A 73 THR HG21 . 30801 1 693 . 1 . 1 73 73 THR HG22 H 1 1.0320 0.025 . 1 . . 48384 . A 73 THR HG22 . 30801 1 694 . 1 . 1 73 73 THR HG23 H 1 1.0320 0.025 . 1 . . 48384 . A 73 THR HG23 . 30801 1 695 . 1 . 1 73 73 THR CA C 13 58.0470 0.035 . 1 . . 34946 . A 73 THR CA . 30801 1 696 . 1 . 1 73 73 THR CB C 13 73.5020 0.035 . 1 . . 34943 . A 73 THR CB . 30801 1 697 . 1 . 1 73 73 THR CG2 C 13 22.1200 0.035 . 1 . . . . A 73 THR CG2 . 30801 1 698 . 1 . 1 73 73 THR N N 15 107.2200 0.035 . 1 . . 34950 . A 73 THR N . 30801 1 699 . 1 . 1 74 74 ILE H H 1 9.1050 0.025 . 1 . . 33670 . A 74 ILE H . 30801 1 700 . 1 . 1 74 74 ILE HA H 1 5.1170 0.025 . 1 . . . . A 74 ILE HA . 30801 1 701 . 1 . 1 74 74 ILE HB H 1 2.0290 0.025 . 1 . . . . A 74 ILE HB . 30801 1 702 . 1 . 1 74 74 ILE HG12 H 1 1.1510 0.025 . 2 . . . . A 74 ILE HG12 . 30801 1 703 . 1 . 1 74 74 ILE HG21 H 1 1.2880 0.025 . 1 . . . . A 74 ILE HG21 . 30801 1 704 . 1 . 1 74 74 ILE HG22 H 1 1.2880 0.025 . 1 . . . . A 74 ILE HG22 . 30801 1 705 . 1 . 1 74 74 ILE HG23 H 1 1.2880 0.025 . 1 . . . . A 74 ILE HG23 . 30801 1 706 . 1 . 1 74 74 ILE HD11 H 1 0.8580 0.025 . 1 . . . . A 74 ILE HD11 . 30801 1 707 . 1 . 1 74 74 ILE HD12 H 1 0.8580 0.025 . 1 . . . . A 74 ILE HD12 . 30801 1 708 . 1 . 1 74 74 ILE HD13 H 1 0.8580 0.025 . 1 . . . . A 74 ILE HD13 . 30801 1 709 . 1 . 1 74 74 ILE CA C 13 60.5110 0.035 . 1 . . 33668 . A 74 ILE CA . 30801 1 710 . 1 . 1 74 74 ILE CB C 13 40.5970 0.035 . 1 . . 33683 . A 74 ILE CB . 30801 1 711 . 1 . 1 74 74 ILE CG1 C 13 27.2560 0.035 . 1 . . 48324 . A 74 ILE CG1 . 30801 1 712 . 1 . 1 74 74 ILE CG2 C 13 17.8940 0.035 . 1 . . 46884 . A 74 ILE CG2 . 30801 1 713 . 1 . 1 74 74 ILE CD1 C 13 14.1500 0.035 . 1 . . . . A 74 ILE CD1 . 30801 1 714 . 1 . 1 74 74 ILE N N 15 124.9610 0.035 . 1 . . 33672 . A 74 ILE N . 30801 1 715 . 1 . 1 75 75 ASP H H 1 9.5560 0.025 . 1 . . 34861 . A 75 ASP H . 30801 1 716 . 1 . 1 75 75 ASP HA H 1 5.2450 0.025 . 1 . . 47769 . A 75 ASP HA . 30801 1 717 . 1 . 1 75 75 ASP HB2 H 1 3.4100 0.025 . 2 . . 47775 . A 75 ASP HB2 . 30801 1 718 . 1 . 1 75 75 ASP HB3 H 1 2.7530 0.025 . 2 . . 47772 . A 75 ASP HB3 . 30801 1 719 . 1 . 1 75 75 ASP CA C 13 53.2340 0.035 . 1 . . 34859 . A 75 ASP CA . 30801 1 720 . 1 . 1 75 75 ASP CB C 13 41.0130 0.035 . 1 . . 34862 . A 75 ASP CB . 30801 1 721 . 1 . 1 75 75 ASP N N 15 130.9580 0.035 . 1 . . 34863 . A 75 ASP N . 30801 1 722 . 1 . 1 76 76 PHE H H 1 8.8290 0.025 . 1 . . 35980 . A 76 PHE H . 30801 1 723 . 1 . 1 76 76 PHE HA H 1 3.6770 0.025 . 1 . . . . A 76 PHE HA . 30801 1 724 . 1 . 1 76 76 PHE HB2 H 1 2.4970 0.025 . 2 . . 47955 . A 76 PHE HB2 . 30801 1 725 . 1 . 1 76 76 PHE HB3 H 1 1.9290 0.025 . 2 . . 47961 . A 76 PHE HB3 . 30801 1 726 . 1 . 1 76 76 PHE HD1 H 1 6.6775 0.025 . 3 . . . . A 76 PHE HD1 . 30801 1 727 . 1 . 1 76 76 PHE HE1 H 1 6.6775 0.025 . 3 . . . . A 76 PHE HE1 . 30801 1 728 . 1 . 1 76 76 PHE CA C 13 61.3000 0.035 . 1 . . 34526 . A 76 PHE CA . 30801 1 729 . 1 . 1 76 76 PHE CB C 13 38.2900 0.035 . 1 . . 34514 . A 76 PHE CB . 30801 1 730 . 1 . 1 76 76 PHE N N 15 117.8180 0.035 . 1 . . 35981 . A 76 PHE N . 30801 1 731 . 1 . 1 77 77 GLU H H 1 7.6960 0.025 . 1 . . 36188 . A 77 GLU H . 30801 1 732 . 1 . 1 77 77 GLU HA H 1 3.7140 0.025 . 1 . . . . A 77 GLU HA . 30801 1 733 . 1 . 1 77 77 GLU HB2 H 1 1.9020 0.025 . 2 . . . . A 77 GLU HB2 . 30801 1 734 . 1 . 1 77 77 GLU HB3 H 1 2.0450 0.025 . 2 . . . . A 77 GLU HB3 . 30801 1 735 . 1 . 1 77 77 GLU HG2 H 1 2.3400 0.025 . 2 . . . . A 77 GLU HG2 . 30801 1 736 . 1 . 1 77 77 GLU HG3 H 1 2.2950 0.025 . 2 . . . . A 77 GLU HG3 . 30801 1 737 . 1 . 1 77 77 GLU CA C 13 58.9590 0.035 . 1 . . 44269 . A 77 GLU CA . 30801 1 738 . 1 . 1 77 77 GLU CB C 13 28.5820 0.035 . 1 . . 44271 . A 77 GLU CB . 30801 1 739 . 1 . 1 77 77 GLU CG C 13 36.0490 0.035 . 1 . . 46455 . A 77 GLU CG . 30801 1 740 . 1 . 1 77 77 GLU N N 15 116.1290 0.035 . 1 . . 36189 . A 77 GLU N . 30801 1 741 . 1 . 1 78 78 GLU H H 1 8.2750 0.025 . 1 . . 44186 . A 78 GLU H . 30801 1 742 . 1 . 1 78 78 GLU HA H 1 4.1880 0.025 . 1 . . 47196 . A 78 GLU HA . 30801 1 743 . 1 . 1 78 78 GLU HB2 H 1 1.9460 0.025 . 2 . . . . A 78 GLU HB2 . 30801 1 744 . 1 . 1 78 78 GLU HG2 H 1 2.4680 0.025 . 2 . . . . A 78 GLU HG2 . 30801 1 745 . 1 . 1 78 78 GLU HG3 H 1 1.9460 0.025 . 2 . . . . A 78 GLU HG3 . 30801 1 746 . 1 . 1 78 78 GLU CA C 13 58.1210 0.035 . 1 . . 44248 . A 78 GLU CA . 30801 1 747 . 1 . 1 78 78 GLU CB C 13 29.6170 0.035 . 1 . . 44285 . A 78 GLU CB . 30801 1 748 . 1 . 1 78 78 GLU CG C 13 36.6580 0.035 . 1 . . 46434 . A 78 GLU CG . 30801 1 749 . 1 . 1 78 78 GLU N N 15 119.6960 0.035 . 1 . . 44187 . A 78 GLU N . 30801 1 750 . 1 . 1 79 79 PHE H H 1 8.9880 0.025 . 1 . . 35968 . A 79 PHE H . 30801 1 751 . 1 . 1 79 79 PHE HA H 1 3.9200 0.025 . 1 . . . . A 79 PHE HA . 30801 1 752 . 1 . 1 79 79 PHE HB2 H 1 3.1970 0.025 . 2 . . . . A 79 PHE HB2 . 30801 1 753 . 1 . 1 79 79 PHE HB3 H 1 3.5810 0.025 . 2 . . . . A 79 PHE HB3 . 30801 1 754 . 1 . 1 79 79 PHE CA C 13 61.5110 0.035 . 1 . . 33887 . A 79 PHE CA . 30801 1 755 . 1 . 1 79 79 PHE CB C 13 40.0900 0.035 . 1 . . 33902 . A 79 PHE CB . 30801 1 756 . 1 . 1 79 79 PHE N N 15 122.1950 0.035 . 1 . . 35969 . A 79 PHE N . 30801 1 757 . 1 . 1 80 80 LEU H H 1 8.0960 0.025 . 1 . . 36114 . A 80 LEU H . 30801 1 758 . 1 . 1 80 80 LEU HA H 1 3.7680 0.025 . 1 . . . . A 80 LEU HA . 30801 1 759 . 1 . 1 80 80 LEU HB2 H 1 2.2320 0.025 . 2 . . . . A 80 LEU HB2 . 30801 1 760 . 1 . 1 80 80 LEU HB3 H 1 0.9050 0.025 . 2 . . . . A 80 LEU HB3 . 30801 1 761 . 1 . 1 80 80 LEU HG H 1 1.5190 0.025 . 1 . . . . A 80 LEU HG . 30801 1 762 . 1 . 1 80 80 LEU HD11 H 1 0.5470 0.025 . 2 . . 47625 . A 80 LEU HD11 . 30801 1 763 . 1 . 1 80 80 LEU HD12 H 1 0.5470 0.025 . 2 . . 47625 . A 80 LEU HD12 . 30801 1 764 . 1 . 1 80 80 LEU HD13 H 1 0.5470 0.025 . 2 . . 47625 . A 80 LEU HD13 . 30801 1 765 . 1 . 1 80 80 LEU HD21 H 1 0.8220 0.025 . 2 . . . . A 80 LEU HD21 . 30801 1 766 . 1 . 1 80 80 LEU HD22 H 1 0.8220 0.025 . 2 . . . . A 80 LEU HD22 . 30801 1 767 . 1 . 1 80 80 LEU HD23 H 1 0.8220 0.025 . 2 . . . . A 80 LEU HD23 . 30801 1 768 . 1 . 1 80 80 LEU CA C 13 57.8960 0.035 . 1 . . 41879 . A 80 LEU CA . 30801 1 769 . 1 . 1 80 80 LEU CB C 13 41.3360 0.035 . 1 . . 41875 . A 80 LEU CB . 30801 1 770 . 1 . 1 80 80 LEU CD1 C 13 26.0380 0.035 . 2 . . 46707 . A 80 LEU CD1 . 30801 1 771 . 1 . 1 80 80 LEU CD2 C 13 24.3780 0.035 . 2 . . 46758 . A 80 LEU CD2 . 30801 1 772 . 1 . 1 80 80 LEU N N 15 119.7260 0.035 . 1 . . 36115 . A 80 LEU N . 30801 1 773 . 1 . 1 81 81 VAL H H 1 7.2850 0.025 . 1 . . 35089 . A 81 VAL H . 30801 1 774 . 1 . 1 81 81 VAL HA H 1 3.3370 0.025 . 1 . . 47454 . A 81 VAL HA . 30801 1 775 . 1 . 1 81 81 VAL HB H 1 2.5320 0.025 . 1 . . . . A 81 VAL HB . 30801 1 776 . 1 . 1 81 81 VAL HG11 H 1 1.0970 0.025 . 2 . . . . A 81 VAL HG11 . 30801 1 777 . 1 . 1 81 81 VAL HG12 H 1 1.0970 0.025 . 2 . . . . A 81 VAL HG12 . 30801 1 778 . 1 . 1 81 81 VAL HG13 H 1 1.0970 0.025 . 2 . . . . A 81 VAL HG13 . 30801 1 779 . 1 . 1 81 81 VAL HG21 H 1 0.8180 0.025 . 2 . . . . A 81 VAL HG21 . 30801 1 780 . 1 . 1 81 81 VAL HG22 H 1 0.8180 0.025 . 2 . . . . A 81 VAL HG22 . 30801 1 781 . 1 . 1 81 81 VAL HG23 H 1 0.8180 0.025 . 2 . . . . A 81 VAL HG23 . 30801 1 782 . 1 . 1 81 81 VAL CA C 13 67.1740 0.035 . 1 . . 34316 . A 81 VAL CA . 30801 1 783 . 1 . 1 81 81 VAL CB C 13 30.8420 0.035 . 1 . . 42092 . A 81 VAL CB . 30801 1 784 . 1 . 1 81 81 VAL CG1 C 13 23.8230 0.035 . 2 . . 46773 . A 81 VAL CG1 . 30801 1 785 . 1 . 1 81 81 VAL CG2 C 13 21.1570 0.035 . 2 . . 46833 . A 81 VAL CG2 . 30801 1 786 . 1 . 1 81 81 VAL N N 15 119.7660 0.035 . 1 . . 35091 . A 81 VAL N . 30801 1 787 . 1 . 1 82 82 MET H H 1 7.9510 0.025 . 1 . . 34210 . A 82 MET H . 30801 1 788 . 1 . 1 82 82 MET HA H 1 3.5750 0.025 . 1 . . 47547 . A 82 MET HA . 30801 1 789 . 1 . 1 82 82 MET HB2 H 1 1.8440 0.025 . 2 . . . . A 82 MET HB2 . 30801 1 790 . 1 . 1 82 82 MET HG2 H 1 2.2560 0.025 . 2 . . . . A 82 MET HG2 . 30801 1 791 . 1 . 1 82 82 MET HE1 H 1 2.0460 0.025 . 1 . . . . A 82 MET HE1 . 30801 1 792 . 1 . 1 82 82 MET HE2 H 1 2.0460 0.025 . 1 . . . . A 82 MET HE2 . 30801 1 793 . 1 . 1 82 82 MET HE3 H 1 2.0460 0.025 . 1 . . . . A 82 MET HE3 . 30801 1 794 . 1 . 1 82 82 MET CA C 13 59.7380 0.035 . 1 . . 34193 . A 82 MET CA . 30801 1 795 . 1 . 1 82 82 MET CB C 13 34.5150 0.035 . 1 . . 34211 . A 82 MET CB . 30801 1 796 . 1 . 1 82 82 MET CG C 13 30.5960 0.035 . 1 . . 46593 . A 82 MET CG . 30801 1 797 . 1 . 1 82 82 MET CE C 13 16.7570 0.035 . 1 . . . . A 82 MET CE . 30801 1 798 . 1 . 1 82 82 MET N N 15 120.5650 0.035 . 1 . . 34212 . A 82 MET N . 30801 1 799 . 1 . 1 83 83 MET H H 1 8.1990 0.025 . 1 . . 38335 . A 83 MET H . 30801 1 800 . 1 . 1 83 83 MET HA H 1 4.0740 0.025 . 1 . . 47529 . A 83 MET HA . 30801 1 801 . 1 . 1 83 83 MET HB2 H 1 1.9090 0.025 . 2 . . . . A 83 MET HB2 . 30801 1 802 . 1 . 1 83 83 MET HB3 H 1 2.0500 0.025 . 2 . . . . A 83 MET HB3 . 30801 1 803 . 1 . 1 83 83 MET HG2 H 1 2.3780 0.025 . 2 . . . . A 83 MET HG2 . 30801 1 804 . 1 . 1 83 83 MET HE1 H 1 1.2800 0.025 . 1 . . . . A 83 MET HE1 . 30801 1 805 . 1 . 1 83 83 MET HE2 H 1 1.2800 0.025 . 1 . . . . A 83 MET HE2 . 30801 1 806 . 1 . 1 83 83 MET HE3 H 1 1.2800 0.025 . 1 . . . . A 83 MET HE3 . 30801 1 807 . 1 . 1 83 83 MET CA C 13 57.6760 0.035 . 1 . . 38342 . A 83 MET CA . 30801 1 808 . 1 . 1 83 83 MET CB C 13 31.6700 0.035 . 1 . . 46560 . A 83 MET CB . 30801 1 809 . 1 . 1 83 83 MET CE C 13 16.8870 0.035 . 1 . . . . A 83 MET CE . 30801 1 810 . 1 . 1 83 83 MET N N 15 120.0120 0.035 . 1 . . 38337 . A 83 MET N . 30801 1 811 . 1 . 1 84 84 VAL H H 1 8.4160 0.025 . 1 . . 34273 . A 84 VAL H . 30801 1 812 . 1 . 1 84 84 VAL HA H 1 3.6860 0.025 . 1 . . 47631 . A 84 VAL HA . 30801 1 813 . 1 . 1 84 84 VAL HB H 1 2.0600 0.025 . 1 . . . . A 84 VAL HB . 30801 1 814 . 1 . 1 84 84 VAL HG11 H 1 1.2520 0.025 . 2 . . 47634 . A 84 VAL HG11 . 30801 1 815 . 1 . 1 84 84 VAL HG12 H 1 1.2520 0.025 . 2 . . 47634 . A 84 VAL HG12 . 30801 1 816 . 1 . 1 84 84 VAL HG13 H 1 1.2520 0.025 . 2 . . 47634 . A 84 VAL HG13 . 30801 1 817 . 1 . 1 84 84 VAL HG21 H 1 0.7970 0.025 . 2 . . 48387 . A 84 VAL HG21 . 30801 1 818 . 1 . 1 84 84 VAL HG22 H 1 0.7970 0.025 . 2 . . 48387 . A 84 VAL HG22 . 30801 1 819 . 1 . 1 84 84 VAL HG23 H 1 0.7970 0.025 . 2 . . 48387 . A 84 VAL HG23 . 30801 1 820 . 1 . 1 84 84 VAL CA C 13 66.7440 0.035 . 1 . . 34268 . A 84 VAL CA . 30801 1 821 . 1 . 1 84 84 VAL CB C 13 31.5380 0.035 . 1 . . 34283 . A 84 VAL CB . 30801 1 822 . 1 . 1 84 84 VAL CG1 C 13 23.9420 0.035 . 2 . . 46779 . A 84 VAL CG1 . 30801 1 823 . 1 . 1 84 84 VAL CG2 C 13 22.0000 0.035 . 2 . . 46818 . A 84 VAL CG2 . 30801 1 824 . 1 . 1 84 84 VAL N N 15 120.1780 0.035 . 1 . . 34275 . A 84 VAL N . 30801 1 825 . 1 . 1 85 85 ARG H H 1 8.5440 0.025 . 1 . . 34366 . A 85 ARG H . 30801 1 826 . 1 . 1 85 85 ARG HA H 1 3.7450 0.025 . 1 . . 47709 . A 85 ARG HA . 30801 1 827 . 1 . 1 85 85 ARG HB2 H 1 1.7240 0.025 . 2 . . 47706 . A 85 ARG HB2 . 30801 1 828 . 1 . 1 85 85 ARG HB3 H 1 1.6910 0.025 . 2 . . . . A 85 ARG HB3 . 30801 1 829 . 1 . 1 85 85 ARG HG2 H 1 1.4660 0.025 . 2 . . 48333 . A 85 ARG HG2 . 30801 1 830 . 1 . 1 85 85 ARG HG3 H 1 1.7490 0.025 . 2 . . . . A 85 ARG HG3 . 30801 1 831 . 1 . 1 85 85 ARG HD2 H 1 2.9090 0.025 . 2 . . 48330 . A 85 ARG HD2 . 30801 1 832 . 1 . 1 85 85 ARG CA C 13 60.3870 0.035 . 1 . . 42124 . A 85 ARG CA . 30801 1 833 . 1 . 1 85 85 ARG CB C 13 29.9710 0.035 . 1 . . 34394 . A 85 ARG CB . 30801 1 834 . 1 . 1 85 85 ARG CG C 13 28.1590 0.035 . 1 . . 46644 . A 85 ARG CG . 30801 1 835 . 1 . 1 85 85 ARG CD C 13 44.3030 0.035 . 1 . . 48327 . A 85 ARG CD . 30801 1 836 . 1 . 1 85 85 ARG N N 15 119.5420 0.035 . 1 . . 34368 . A 85 ARG N . 30801 1 837 . 1 . 1 86 86 GLN H H 1 7.4570 0.025 . 1 . . 36236 . A 86 GLN H . 30801 1 838 . 1 . 1 86 86 GLN HA H 1 3.6790 0.025 . 1 . . 47739 . A 86 GLN HA . 30801 1 839 . 1 . 1 86 86 GLN HB2 H 1 1.9520 0.025 . 2 . . . . A 86 GLN HB2 . 30801 1 840 . 1 . 1 86 86 GLN HB3 H 1 1.5870 0.025 . 2 . . . . A 86 GLN HB3 . 30801 1 841 . 1 . 1 86 86 GLN HG2 H 1 3.0890 0.025 . 2 . . 48336 . A 86 GLN HG2 . 30801 1 842 . 1 . 1 86 86 GLN HG3 H 1 2.6310 0.025 . 2 . . 48339 . A 86 GLN HG3 . 30801 1 843 . 1 . 1 86 86 GLN HE21 H 1 6.3121 0.025 . 2 . . . . A 86 GLN HE21 . 30801 1 844 . 1 . 1 86 86 GLN HE22 H 1 8.6093 0.025 . 2 . . . . A 86 GLN HE22 . 30801 1 845 . 1 . 1 86 86 GLN CA C 13 58.4200 0.035 . 1 . . 34427 . A 86 GLN CA . 30801 1 846 . 1 . 1 86 86 GLN CB C 13 28.0770 0.035 . 1 . . 34442 . A 86 GLN CB . 30801 1 847 . 1 . 1 86 86 GLN CG C 13 33.1090 0.035 . 1 . . 46506 . A 86 GLN CG . 30801 1 848 . 1 . 1 86 86 GLN N N 15 119.2200 0.035 . 1 . . 36237 . A 86 GLN N . 30801 1 849 . 1 . 1 86 86 GLN NE2 N 15 116.6964 0.035 . 1 . . . . A 86 GLN NE2 . 30801 1 850 . 1 . 1 87 87 MET H H 1 8.5650 0.025 . 1 . . 35620 . A 87 MET H . 30801 1 851 . 1 . 1 87 87 MET HA H 1 4.0630 0.025 . 1 . . 47580 . A 87 MET HA . 30801 1 852 . 1 . 1 87 87 MET HB2 H 1 2.3030 0.025 . 2 . . . . A 87 MET HB2 . 30801 1 853 . 1 . 1 87 87 MET HB3 H 1 2.2110 0.025 . 2 . . . . A 87 MET HB3 . 30801 1 854 . 1 . 1 87 87 MET HG2 H 1 2.6720 0.025 . 2 . . 48345 . A 87 MET HG2 . 30801 1 855 . 1 . 1 87 87 MET HG3 H 1 2.5220 0.025 . 2 . . 47583 . A 87 MET HG3 . 30801 1 856 . 1 . 1 87 87 MET HE1 H 1 2.1190 0.025 . 1 . . . . A 87 MET HE1 . 30801 1 857 . 1 . 1 87 87 MET HE2 H 1 2.1190 0.025 . 1 . . . . A 87 MET HE2 . 30801 1 858 . 1 . 1 87 87 MET HE3 H 1 2.1190 0.025 . 1 . . . . A 87 MET HE3 . 30801 1 859 . 1 . 1 87 87 MET CA C 13 59.9710 0.035 . 1 . . 34481 . A 87 MET CA . 30801 1 860 . 1 . 1 87 87 MET CB C 13 34.7220 0.035 . 1 . . 34487 . A 87 MET CB . 30801 1 861 . 1 . 1 87 87 MET CG C 13 32.5500 0.035 . 1 . . 46530 . A 87 MET CG . 30801 1 862 . 1 . 1 87 87 MET CE C 13 16.9080 0.035 . 1 . . . . A 87 MET CE . 30801 1 863 . 1 . 1 87 87 MET N N 15 118.6020 0.035 . 1 . . 35622 . A 87 MET N . 30801 1 864 . 1 . 1 88 88 LYS H H 1 8.5250 0.025 . 1 . . 35512 . A 88 LYS H . 30801 1 865 . 1 . 1 88 88 LYS HA H 1 3.8470 0.025 . 1 . . 47193 . A 88 LYS HA . 30801 1 866 . 1 . 1 88 88 LYS HB2 H 1 1.8420 0.025 . 2 . . 48348 . A 88 LYS HB2 . 30801 1 867 . 1 . 1 88 88 LYS HB3 H 1 1.6980 0.025 . 2 . . . . A 88 LYS HB3 . 30801 1 868 . 1 . 1 88 88 LYS HG2 H 1 1.4530 0.025 . 2 . . 47190 . A 88 LYS HG2 . 30801 1 869 . 1 . 1 88 88 LYS HG3 H 1 1.0580 0.025 . 2 . . . . A 88 LYS HG3 . 30801 1 870 . 1 . 1 88 88 LYS HD2 H 1 1.4620 0.025 . 2 . . . . A 88 LYS HD2 . 30801 1 871 . 1 . 1 88 88 LYS HE2 H 1 2.6080 0.025 . 2 . . . . A 88 LYS HE2 . 30801 1 872 . 1 . 1 88 88 LYS HE3 H 1 2.5420 0.025 . 2 . . . . A 88 LYS HE3 . 30801 1 873 . 1 . 1 88 88 LYS CA C 13 60.1760 0.035 . 1 . . 34370 . A 88 LYS CA . 30801 1 874 . 1 . 1 88 88 LYS CB C 13 32.6890 0.035 . 1 . . 34391 . A 88 LYS CB . 30801 1 875 . 1 . 1 88 88 LYS CG C 13 26.1390 0.035 . 1 . . 46704 . A 88 LYS CG . 30801 1 876 . 1 . 1 88 88 LYS CD C 13 29.9870 0.035 . 1 . . 46602 . A 88 LYS CD . 30801 1 877 . 1 . 1 88 88 LYS CE C 13 41.8680 0.035 . 1 . . 50774 . A 88 LYS CE . 30801 1 878 . 1 . 1 88 88 LYS N N 15 119.5970 0.035 . 1 . . 35514 . A 88 LYS N . 30801 1 879 . 1 . 1 89 89 GLU H H 1 7.7050 0.025 . 1 . . 36184 . A 89 GLU H . 30801 1 880 . 1 . 1 89 89 GLU HA H 1 3.9890 0.025 . 1 . . 47175 . A 89 GLU HA . 30801 1 881 . 1 . 1 89 89 GLU HB2 H 1 2.1230 0.025 . 2 . . . . A 89 GLU HB2 . 30801 1 882 . 1 . 1 89 89 GLU HG2 H 1 2.2800 0.025 . 2 . . 47178 . A 89 GLU HG2 . 30801 1 883 . 1 . 1 89 89 GLU HG3 H 1 2.1610 0.025 . 2 . . 47181 . A 89 GLU HG3 . 30801 1 884 . 1 . 1 89 89 GLU CA C 13 59.6110 0.035 . 1 . . 33860 . A 89 GLU CA . 30801 1 885 . 1 . 1 89 89 GLU CB C 13 29.1510 0.035 . 1 . . 33878 . A 89 GLU CB . 30801 1 886 . 1 . 1 89 89 GLU CG C 13 36.6080 0.035 . 1 . . 46431 . A 89 GLU CG . 30801 1 887 . 1 . 1 89 89 GLU N N 15 122.3320 0.035 . 1 . . 36185 . A 89 GLU N . 30801 1 888 . 1 . 1 90 90 ASP H H 1 9.3100 0.025 . 1 . . 35254 . A 90 ASP H . 30801 1 889 . 1 . 1 90 90 ASP HA H 1 4.2840 0.025 . 1 . . 47514 . A 90 ASP HA . 30801 1 890 . 1 . 1 90 90 ASP HB2 H 1 2.8140 0.025 . 2 . . 47517 . A 90 ASP HB2 . 30801 1 891 . 1 . 1 90 90 ASP HB3 H 1 2.8830 0.025 . 2 . . 47520 . A 90 ASP HB3 . 30801 1 892 . 1 . 1 90 90 ASP CA C 13 57.0740 0.035 . 1 . . 33863 . A 90 ASP CA . 30801 1 893 . 1 . 1 90 90 ASP CB C 13 40.6870 0.035 . 1 . . 33869 . A 90 ASP CB . 30801 1 894 . 1 . 1 90 90 ASP N N 15 122.3340 0.035 . 1 . . 35256 . A 90 ASP N . 30801 1 895 . 1 . 1 91 91 ALA H H 1 7.5410 0.025 . 1 . . 36220 . A 91 ALA H . 30801 1 896 . 1 . 1 91 91 ALA HA H 1 4.3980 0.025 . 1 . . . . A 91 ALA HA . 30801 1 897 . 1 . 1 91 91 ALA HB1 H 1 1.5610 0.025 . 1 . . 48288 . A 91 ALA HB1 . 30801 1 898 . 1 . 1 91 91 ALA HB2 H 1 1.5610 0.025 . 1 . . 48288 . A 91 ALA HB2 . 30801 1 899 . 1 . 1 91 91 ALA HB3 H 1 1.5610 0.025 . 1 . . 48288 . A 91 ALA HB3 . 30801 1 900 . 1 . 1 91 91 ALA CA C 13 52.9890 0.035 . 1 . . 34277 . A 91 ALA CA . 30801 1 901 . 1 . 1 91 91 ALA CB C 13 18.9930 0.035 . 1 . . 34286 . A 91 ALA CB . 30801 1 902 . 1 . 1 91 91 ALA N N 15 120.2510 0.035 . 1 . . 36221 . A 91 ALA N . 30801 1 903 . 1 . 1 92 92 GLY H H 1 7.8680 0.025 . 1 . . 36162 . A 92 GLY H . 30801 1 904 . 1 . 1 92 92 GLY HA2 H 1 4.0760 0.025 . 2 . . 48204 . A 92 GLY HA2 . 30801 1 905 . 1 . 1 92 92 GLY HA3 H 1 3.9780 0.025 . 2 . . 48213 . A 92 GLY HA3 . 30801 1 906 . 1 . 1 92 92 GLY CA C 13 45.6420 0.035 . 1 . . 44406 . A 92 GLY CA . 30801 1 907 . 1 . 1 92 92 GLY N N 15 106.1870 0.035 . 1 . . 36163 . A 92 GLY N . 30801 1 908 . 1 . 1 93 93 GLY H H 1 8.2170 0.025 . 1 . . 38370 . A 93 GLY H . 30801 1 909 . 1 . 1 93 93 GLY HA2 H 1 3.9610 0.025 . 2 . . 47052 . A 93 GLY HA2 . 30801 1 910 . 1 . 1 93 93 GLY CA C 13 45.5960 0.035 . 1 . . 43584 . A 93 GLY CA . 30801 1 911 . 1 . 1 93 93 GLY N N 15 108.5080 0.035 . 1 . . 38372 . A 93 GLY N . 30801 1 912 . 1 . 1 94 94 ALA H H 1 8.2580 0.025 . 1 . . 33706 . A 94 ALA H . 30801 1 913 . 1 . 1 94 94 ALA HA H 1 4.3020 0.025 . 1 . . . . A 94 ALA HA . 30801 1 914 . 1 . 1 94 94 ALA HB1 H 1 1.3890 0.025 . 1 . . 48225 . A 94 ALA HB1 . 30801 1 915 . 1 . 1 94 94 ALA HB2 H 1 1.3890 0.025 . 1 . . 48225 . A 94 ALA HB2 . 30801 1 916 . 1 . 1 94 94 ALA HB3 H 1 1.3890 0.025 . 1 . . 48225 . A 94 ALA HB3 . 30801 1 917 . 1 . 1 94 94 ALA CA C 13 52.8000 0.035 . 1 . . 33716 . A 94 ALA CA . 30801 1 918 . 1 . 1 94 94 ALA CB C 13 19.2250 0.035 . 1 . . 33725 . A 94 ALA CB . 30801 1 919 . 1 . 1 94 94 ALA N N 15 123.6880 0.035 . 1 . . 33708 . A 94 ALA N . 30801 1 920 . 1 . 1 95 95 GLY H H 1 8.3880 0.025 . 1 . . 37324 . A 95 GLY H . 30801 1 921 . 1 . 1 95 95 GLY HA2 H 1 3.9340 0.025 . 2 . . 48213 . A 95 GLY HA2 . 30801 1 922 . 1 . 1 95 95 GLY CA C 13 45.6420 0.035 . 1 . . 42754 . A 95 GLY CA . 30801 1 923 . 1 . 1 95 95 GLY N N 15 107.8880 0.035 . 1 . . 37326 . A 95 GLY N . 30801 1 924 . 1 . 1 96 96 GLY H H 1 8.1900 0.025 . 1 . . 36074 . A 96 GLY H . 30801 1 925 . 1 . 1 96 96 GLY HA2 H 1 3.9630 0.025 . 2 . . . . A 96 GLY HA2 . 30801 1 926 . 1 . 1 96 96 GLY CA C 13 45.5090 0.035 . 1 . . 41881 . A 96 GLY CA . 30801 1 927 . 1 . 1 96 96 GLY N N 15 108.5080 0.035 . 1 . . 36075 . A 96 GLY N . 30801 1 928 . 1 . 1 97 97 LYS H H 1 8.1210 0.025 . 1 . . 43511 . A 97 LYS H . 30801 1 929 . 1 . 1 97 97 LYS HA H 1 4.3380 0.025 . 1 . . 47235 . A 97 LYS HA . 30801 1 930 . 1 . 1 97 97 LYS HB2 H 1 1.8130 0.025 . 2 . . . . A 97 LYS HB2 . 30801 1 931 . 1 . 1 97 97 LYS HB3 H 1 1.7440 0.025 . 2 . . . . A 97 LYS HB3 . 30801 1 932 . 1 . 1 97 97 LYS HG2 H 1 1.3910 0.025 . 2 . . . . A 97 LYS HG2 . 30801 1 933 . 1 . 1 97 97 LYS HG3 H 1 1.4300 0.025 . 2 . . . . A 97 LYS HG3 . 30801 1 934 . 1 . 1 97 97 LYS HD2 H 1 1.6670 0.025 . 2 . . . . A 97 LYS HD2 . 30801 1 935 . 1 . 1 97 97 LYS HE2 H 1 2.9890 0.025 . 2 . . . . A 97 LYS HE2 . 30801 1 936 . 1 . 1 97 97 LYS CA C 13 56.5940 0.035 . 1 . . 44543 . A 97 LYS CA . 30801 1 937 . 1 . 1 97 97 LYS CB C 13 33.0340 0.035 . 1 . . 44547 . A 97 LYS CB . 30801 1 938 . 1 . 1 97 97 LYS CG C 13 24.7620 0.035 . 1 . . 46731 . A 97 LYS CG . 30801 1 939 . 1 . 1 97 97 LYS CD C 13 28.9540 0.035 . 1 . . 46626 . A 97 LYS CD . 30801 1 940 . 1 . 1 97 97 LYS CE C 13 42.2550 0.035 . 1 . . 46305 . A 97 LYS CE . 30801 1 941 . 1 . 1 97 97 LYS N N 15 120.5790 0.035 . 1 . . 43513 . A 97 LYS N . 30801 1 942 . 1 . 1 98 98 LEU H H 1 8.1680 0.025 . 1 . . 38828 . A 98 LEU H . 30801 1 943 . 1 . 1 98 98 LEU HA H 1 4.2400 0.025 . 1 . . 47694 . A 98 LEU HA . 30801 1 944 . 1 . 1 98 98 LEU HB2 H 1 1.3750 0.025 . 2 . . 47700 . A 98 LEU HB2 . 30801 1 945 . 1 . 1 98 98 LEU HB3 H 1 1.5420 0.025 . 2 . . 47697 . A 98 LEU HB3 . 30801 1 946 . 1 . 1 98 98 LEU HD11 H 1 0.7820 0.025 . 2 . . 47703 . A 98 LEU HD11 . 30801 1 947 . 1 . 1 98 98 LEU HD12 H 1 0.7820 0.025 . 2 . . 47703 . A 98 LEU HD12 . 30801 1 948 . 1 . 1 98 98 LEU HD13 H 1 0.7820 0.025 . 2 . . 47703 . A 98 LEU HD13 . 30801 1 949 . 1 . 1 98 98 LEU HD21 H 1 0.8650 0.025 . 2 . . . . A 98 LEU HD21 . 30801 1 950 . 1 . 1 98 98 LEU HD22 H 1 0.8650 0.025 . 2 . . . . A 98 LEU HD22 . 30801 1 951 . 1 . 1 98 98 LEU HD23 H 1 0.8650 0.025 . 2 . . . . A 98 LEU HD23 . 30801 1 952 . 1 . 1 98 98 LEU CA C 13 55.5310 0.035 . 1 . . 38835 . A 98 LEU CA . 30801 1 953 . 1 . 1 98 98 LEU CB C 13 42.3310 0.035 . 1 . . 38838 . A 98 LEU CB . 30801 1 954 . 1 . 1 98 98 LEU CG C 13 27.2190 0.035 . 1 . . 46677 . A 98 LEU CG . 30801 1 955 . 1 . 1 98 98 LEU CD1 C 13 23.8090 0.035 . 2 . . 48390 . A 98 LEU CD1 . 30801 1 956 . 1 . 1 98 98 LEU CD2 C 13 24.9550 0.035 . 2 . . 46740 . A 98 LEU CD2 . 30801 1 957 . 1 . 1 98 98 LEU N N 15 121.5560 0.035 . 1 . . 38830 . A 98 LEU N . 30801 1 958 . 1 . 1 99 99 PHE H H 1 8.0080 0.025 . 1 . . 35578 . A 99 PHE H . 30801 1 959 . 1 . 1 99 99 PHE HA H 1 4.5550 0.025 . 1 . . . . A 99 PHE HA . 30801 1 960 . 1 . 1 99 99 PHE HB2 H 1 3.0940 0.025 . 2 . . 47325 . A 99 PHE HB2 . 30801 1 961 . 1 . 1 99 99 PHE HB3 H 1 2.9480 0.025 . 2 . . 47328 . A 99 PHE HB3 . 30801 1 962 . 1 . 1 99 99 PHE CA C 13 57.6710 0.035 . 1 . . 34430 . A 99 PHE CA . 30801 1 963 . 1 . 1 99 99 PHE CB C 13 39.8090 0.035 . 1 . . 34439 . A 99 PHE CB . 30801 1 964 . 1 . 1 99 99 PHE N N 15 119.2830 0.035 . 1 . . 35580 . A 99 PHE N . 30801 1 965 . 1 . 1 100 100 ASP H H 1 8.1740 0.025 . 1 . . 36290 . A 100 ASP H . 30801 1 966 . 1 . 1 100 100 ASP HA H 1 4.5790 0.025 . 1 . . 47100 . A 100 ASP HA . 30801 1 967 . 1 . 1 100 100 ASP HB2 H 1 2.6000 0.025 . 2 . . 47103 . A 100 ASP HB2 . 30801 1 968 . 1 . 1 100 100 ASP HB3 H 1 2.7010 0.025 . 2 . . . . A 100 ASP HB3 . 30801 1 969 . 1 . 1 100 100 ASP CA C 13 54.0310 0.035 . 1 . . 42724 . A 100 ASP CA . 30801 1 970 . 1 . 1 100 100 ASP CB C 13 41.4120 0.035 . 1 . . 42726 . A 100 ASP CB . 30801 1 971 . 1 . 1 100 100 ASP N N 15 121.5110 0.035 . 1 . . 36291 . A 100 ASP N . 30801 1 972 . 1 . 1 101 101 LEU H H 1 8.2090 0.025 . 1 . . 35206 . A 101 LEU H . 30801 1 973 . 1 . 1 101 101 LEU HA H 1 4.2580 0.025 . 1 . . 47589 . A 101 LEU HA . 30801 1 974 . 1 . 1 101 101 LEU HB2 H 1 1.6390 0.025 . 2 . . 47592 . A 101 LEU HB2 . 30801 1 975 . 1 . 1 101 101 LEU HB3 H 1 1.5130 0.025 . 2 . . 47595 . A 101 LEU HB3 . 30801 1 976 . 1 . 1 101 101 LEU HG H 1 1.5950 0.025 . 1 . . . . A 101 LEU HG . 30801 1 977 . 1 . 1 101 101 LEU HD11 H 1 0.9170 0.025 . 2 . . 47598 . A 101 LEU HD11 . 30801 1 978 . 1 . 1 101 101 LEU HD12 H 1 0.9170 0.025 . 2 . . 47598 . A 101 LEU HD12 . 30801 1 979 . 1 . 1 101 101 LEU HD13 H 1 0.9170 0.025 . 2 . . 47598 . A 101 LEU HD13 . 30801 1 980 . 1 . 1 101 101 LEU HD21 H 1 0.8590 0.025 . 2 . . . . A 101 LEU HD21 . 30801 1 981 . 1 . 1 101 101 LEU HD22 H 1 0.8590 0.025 . 2 . . . . A 101 LEU HD22 . 30801 1 982 . 1 . 1 101 101 LEU HD23 H 1 0.8590 0.025 . 2 . . . . A 101 LEU HD23 . 30801 1 983 . 1 . 1 101 101 LEU CA C 13 55.7480 0.035 . 1 . . 42152 . A 101 LEU CA . 30801 1 984 . 1 . 1 101 101 LEU CB C 13 42.1200 0.035 . 1 . . 42150 . A 101 LEU CB . 30801 1 985 . 1 . 1 101 101 LEU CG C 13 27.2600 0.035 . 1 . . 46674 . A 101 LEU CG . 30801 1 986 . 1 . 1 101 101 LEU CD1 C 13 25.2980 0.035 . 2 . . 46719 . A 101 LEU CD1 . 30801 1 987 . 1 . 1 101 101 LEU CD2 C 13 23.4940 0.035 . 2 . . 46794 . A 101 LEU CD2 . 30801 1 988 . 1 . 1 101 101 LEU N N 15 122.9660 0.035 . 1 . . 35208 . A 101 LEU N . 30801 1 989 . 1 . 1 102 102 ARG H H 1 8.3040 0.025 . 1 . . 44110 . A 102 ARG H . 30801 1 990 . 1 . 1 102 102 ARG HA H 1 4.2660 0.025 . 1 . . 48192 . A 102 ARG HA . 30801 1 991 . 1 . 1 102 102 ARG HB2 H 1 1.8650 0.025 . 2 . . 48198 . A 102 ARG HB2 . 30801 1 992 . 1 . 1 102 102 ARG HG2 H 1 1.6460 0.025 . 2 . . 48201 . A 102 ARG HG2 . 30801 1 993 . 1 . 1 102 102 ARG HD2 H 1 3.1770 0.025 . 2 . . 48195 . A 102 ARG HD2 . 30801 1 994 . 1 . 1 102 102 ARG CA C 13 56.6560 0.035 . 1 . . 43829 . A 102 ARG CA . 30801 1 995 . 1 . 1 102 102 ARG CB C 13 30.4450 0.035 . 1 . . 43762 . A 102 ARG CB . 30801 1 996 . 1 . 1 102 102 ARG CG C 13 26.8600 0.035 . 1 . . 46683 . A 102 ARG CG . 30801 1 997 . 1 . 1 102 102 ARG CD C 13 43.4570 0.035 . 1 . . 46284 . A 102 ARG CD . 30801 1 998 . 1 . 1 102 102 ARG N N 15 119.7120 0.035 . 1 . . 44111 . A 102 ARG N . 30801 1 999 . 1 . 1 103 103 GLY H H 1 8.2230 0.025 . 1 . . 36072 . A 103 GLY H . 30801 1 1000 . 1 . 1 103 103 GLY HA2 H 1 3.9560 0.025 . 2 . . . . A 103 GLY HA2 . 30801 1 1001 . 1 . 1 103 103 GLY CA C 13 45.4570 0.035 . 1 . . 34877 . A 103 GLY CA . 30801 1 1002 . 1 . 1 103 103 GLY N N 15 108.7880 0.035 . 1 . . 36073 . A 103 GLY N . 30801 1 1003 . 1 . 1 104 104 LYS H H 1 8.1220 0.025 . 1 . . . . A 104 LYS H . 30801 1 1004 . 1 . 1 104 104 LYS HA H 1 4.1820 0.025 . 1 . . . . A 104 LYS HA . 30801 1 1005 . 1 . 1 104 104 LYS HB2 H 1 1.6190 0.025 . 2 . . . . A 104 LYS HB2 . 30801 1 1006 . 1 . 1 104 104 LYS HG2 H 1 1.1590 0.025 . 2 . . 47664 . A 104 LYS HG2 . 30801 1 1007 . 1 . 1 104 104 LYS HG3 H 1 1.2390 0.025 . 2 . . . . A 104 LYS HG3 . 30801 1 1008 . 1 . 1 104 104 LYS HD2 H 1 1.5740 0.025 . 2 . . 47661 . A 104 LYS HD2 . 30801 1 1009 . 1 . 1 104 104 LYS HE2 H 1 2.9130 0.025 . 2 . . . . A 104 LYS HE2 . 30801 1 1010 . 1 . 1 104 104 LYS CA C 13 56.5450 0.035 . 1 . . 44544 . A 104 LYS CA . 30801 1 1011 . 1 . 1 104 104 LYS CB C 13 32.8620 0.035 . 1 . . 44546 . A 104 LYS CB . 30801 1 1012 . 1 . 1 104 104 LYS CG C 13 24.5270 0.035 . 1 . . 46761 . A 104 LYS CG . 30801 1 1013 . 1 . 1 104 104 LYS CD C 13 28.9830 0.035 . 1 . . 46632 . A 104 LYS CD . 30801 1 1014 . 1 . 1 104 104 LYS CE C 13 42.2290 0.035 . 1 . . 46320 . A 104 LYS CE . 30801 1 1015 . 1 . 1 104 104 LYS N N 15 120.5900 0.035 . 1 . . . . A 104 LYS N . 30801 1 1016 . 1 . 1 105 105 PHE H H 1 8.0890 0.025 . 1 . . 34372 . A 105 PHE H . 30801 1 1017 . 1 . 1 105 105 PHE HA H 1 4.6260 0.025 . 1 . . . . A 105 PHE HA . 30801 1 1018 . 1 . 1 105 105 PHE HB2 H 1 3.1400 0.025 . 2 . . 47142 . A 105 PHE HB2 . 30801 1 1019 . 1 . 1 105 105 PHE HB3 H 1 2.9490 0.025 . 2 . . 47136 . A 105 PHE HB3 . 30801 1 1020 . 1 . 1 105 105 PHE CA C 13 57.2520 0.035 . 1 . . . . A 105 PHE CA . 30801 1 1021 . 1 . 1 105 105 PHE CB C 13 39.6870 0.035 . 1 . . . . A 105 PHE CB . 30801 1 1022 . 1 . 1 105 105 PHE N N 15 119.5610 0.035 . 1 . . 34374 . A 105 PHE N . 30801 1 1023 . 1 . 1 106 106 LYS H H 1 8.2390 0.025 . 1 . . 35230 . A 106 LYS H . 30801 1 1024 . 1 . 1 106 106 LYS HA H 1 4.2420 0.025 . 1 . . 47154 . A 106 LYS HA . 30801 1 1025 . 1 . 1 106 106 LYS HB3 H 1 1.6500 0.025 . 2 . . 47160 . A 106 LYS HB3 . 30801 1 1026 . 1 . 1 106 106 LYS HG2 H 1 1.3410 0.025 . 2 . . 47163 . A 106 LYS HG2 . 30801 1 1027 . 1 . 1 106 106 LYS HE2 H 1 2.9510 0.025 . 2 . . 47157 . A 106 LYS HE2 . 30801 1 1028 . 1 . 1 106 106 LYS CA C 13 56.3410 0.035 . 1 . . 46140 . A 106 LYS CA . 30801 1 1029 . 1 . 1 106 106 LYS CB C 13 33.0040 0.035 . 1 . . 33815 . A 106 LYS CB . 30801 1 1030 . 1 . 1 106 106 LYS CG C 13 24.7280 0.035 . 1 . . 46725 . A 106 LYS CG . 30801 1 1031 . 1 . 1 106 106 LYS CD C 13 29.0270 0.035 . 1 . . 46620 . A 106 LYS CD . 30801 1 1032 . 1 . 1 106 106 LYS CE C 13 42.2590 0.035 . 1 . . 97355 . A 106 LYS CE . 30801 1 1033 . 1 . 1 106 106 LYS N N 15 122.6620 0.035 . 1 . . 35232 . A 106 LYS N . 30801 1 1034 . 1 . 1 107 107 ARG H H 1 8.1550 0.025 . 1 . . . . A 107 ARG H . 30801 1 1035 . 1 . 1 107 107 ARG HA H 1 4.5550 0.025 . 1 . . . . A 107 ARG HA . 30801 1 1036 . 1 . 1 107 107 ARG HB2 H 1 1.8350 0.025 . 2 . . . . A 107 ARG HB2 . 30801 1 1037 . 1 . 1 107 107 ARG HB3 H 1 1.6810 0.025 . 2 . . . . A 107 ARG HB3 . 30801 1 1038 . 1 . 1 107 107 ARG HD2 H 1 3.1700 0.025 . 2 . . . . A 107 ARG HD2 . 30801 1 1039 . 1 . 1 107 107 ARG CA C 13 53.8740 0.035 . 1 . . . . A 107 ARG CA . 30801 1 1040 . 1 . 1 107 107 ARG CB C 13 30.4350 0.035 . 1 . . . . A 107 ARG CB . 30801 1 1041 . 1 . 1 107 107 ARG N N 15 122.5110 0.035 . 1 . . . . A 107 ARG N . 30801 1 1042 . 1 . 1 109 109 PRO HA H 1 4.6170 0.025 . 1 . . . . A 109 PRO HA . 30801 1 1043 . 1 . 1 109 109 PRO HB2 H 1 2.3270 0.025 . 2 . . . . A 109 PRO HB2 . 30801 1 1044 . 1 . 1 109 109 PRO HB3 H 1 1.8610 0.025 . 2 . . . . A 109 PRO HB3 . 30801 1 1045 . 1 . 1 109 109 PRO HG2 H 1 2.0390 0.025 . 2 . . . . A 109 PRO HG2 . 30801 1 1046 . 1 . 1 109 109 PRO HG3 H 1 1.9920 0.025 . 2 . . . . A 109 PRO HG3 . 30801 1 1047 . 1 . 1 109 109 PRO HD2 H 1 3.8060 0.025 . 2 . . . . A 109 PRO HD2 . 30801 1 1048 . 1 . 1 109 109 PRO HD3 H 1 3.5920 0.025 . 2 . . . . A 109 PRO HD3 . 30801 1 1049 . 1 . 1 109 109 PRO CA C 13 61.5720 0.035 . 1 . . . . A 109 PRO CA . 30801 1 1050 . 1 . 1 109 109 PRO CB C 13 30.8660 0.035 . 1 . . . . A 109 PRO CB . 30801 1 1051 . 1 . 1 109 109 PRO CG C 13 27.4870 0.035 . 1 . . . . A 109 PRO CG . 30801 1 1052 . 1 . 1 109 109 PRO CD C 13 50.5540 0.035 . 1 . . . . A 109 PRO CD . 30801 1 1053 . 1 . 1 112 112 ARG H H 1 8.2000 0.025 . 1 . . 36080 . A 112 ARG H . 30801 1 1054 . 1 . 1 112 112 ARG HA H 1 4.2630 0.025 . 1 . . 47124 . A 112 ARG HA . 30801 1 1055 . 1 . 1 112 112 ARG HB2 H 1 1.7640 0.025 . 2 . . 47139 . A 112 ARG HB2 . 30801 1 1056 . 1 . 1 112 112 ARG HG2 H 1 1.5510 0.025 . 2 . . 47121 . A 112 ARG HG2 . 30801 1 1057 . 1 . 1 112 112 ARG HD2 H 1 3.1400 0.025 . 2 . . 47142 . A 112 ARG HD2 . 30801 1 1058 . 1 . 1 112 112 ARG CA C 13 56.1820 0.035 . 1 . . 35099 . A 112 ARG CA . 30801 1 1059 . 1 . 1 112 112 ARG CB C 13 30.7750 0.035 . 1 . . 43179 . A 112 ARG CB . 30801 1 1060 . 1 . 1 112 112 ARG CG C 13 27.2080 0.035 . 1 . . 46665 . A 112 ARG CG . 30801 1 1061 . 1 . 1 112 112 ARG CD C 13 43.2930 0.035 . 1 . . 46278 . A 112 ARG CD . 30801 1 1062 . 1 . 1 112 112 ARG N N 15 121.2900 0.035 . 1 . . 36081 . A 112 ARG N . 30801 1 1063 . 1 . 1 125 125 LEU H H 1 8.1800 0.025 . 1 . . 34705 . A 125 LEU H . 30801 1 1064 . 1 . 1 125 125 LEU HA H 1 4.1600 0.025 . 1 . . 48030 . A 125 LEU HA . 30801 1 1065 . 1 . 1 125 125 LEU HB2 H 1 1.6240 0.025 . 2 . . 48024 . A 125 LEU HB2 . 30801 1 1066 . 1 . 1 125 125 LEU HB3 H 1 1.7980 0.025 . 2 . . 48021 . A 125 LEU HB3 . 30801 1 1067 . 1 . 1 125 125 LEU HD11 H 1 0.8110 0.025 . 2 . . 48027 . A 125 LEU HD11 . 30801 1 1068 . 1 . 1 125 125 LEU HD12 H 1 0.8110 0.025 . 2 . . 48027 . A 125 LEU HD12 . 30801 1 1069 . 1 . 1 125 125 LEU HD13 H 1 0.8110 0.025 . 2 . . 48027 . A 125 LEU HD13 . 30801 1 1070 . 1 . 1 125 125 LEU HD21 H 1 0.7090 0.025 . 2 . . . . A 125 LEU HD21 . 30801 1 1071 . 1 . 1 125 125 LEU HD22 H 1 0.7090 0.025 . 2 . . . . A 125 LEU HD22 . 30801 1 1072 . 1 . 1 125 125 LEU HD23 H 1 0.7090 0.025 . 2 . . . . A 125 LEU HD23 . 30801 1 1073 . 1 . 1 125 125 LEU CA C 13 57.0170 0.035 . 1 . . 34703 . A 125 LEU CA . 30801 1 1074 . 1 . 1 125 125 LEU CB C 13 43.8480 0.035 . 1 . . 34709 . A 125 LEU CB . 30801 1 1075 . 1 . 1 125 125 LEU CD1 C 13 26.5280 0.035 . 2 . . 46695 . A 125 LEU CD1 . 30801 1 1076 . 1 . 1 125 125 LEU CD2 C 13 23.0300 0.035 . 2 . . 46800 . A 125 LEU CD2 . 30801 1 1077 . 1 . 1 125 125 LEU N N 15 115.2730 0.035 . 1 . . 34707 . A 125 LEU N . 30801 1 1078 . 1 . 1 144 144 LYS H H 1 8.3940 0.025 . 1 . . 37385 . A 144 LYS H . 30801 1 1079 . 1 . 1 144 144 LYS HA H 1 4.3330 0.025 . 1 . . 47016 . A 144 LYS HA . 30801 1 1080 . 1 . 1 144 144 LYS HB2 H 1 1.7850 0.025 . 2 . . 47022 . A 144 LYS HB2 . 30801 1 1081 . 1 . 1 144 144 LYS HG2 H 1 1.3910 0.025 . 2 . . 47028 . A 144 LYS HG2 . 30801 1 1082 . 1 . 1 144 144 LYS HD2 H 1 1.6700 0.025 . 2 . . 47025 . A 144 LYS HD2 . 30801 1 1083 . 1 . 1 144 144 LYS HE2 H 1 2.9830 0.025 . 2 . . 47019 . A 144 LYS HE2 . 30801 1 1084 . 1 . 1 144 144 LYS CA C 13 56.1510 0.035 . 1 . . 37395 . A 144 LYS CA . 30801 1 1085 . 1 . 1 144 144 LYS CB C 13 33.1270 0.035 . 1 . . 37398 . A 144 LYS CB . 30801 1 1086 . 1 . 1 144 144 LYS CG C 13 24.6830 0.035 . 1 . . 46749 . A 144 LYS CG . 30801 1 1087 . 1 . 1 144 144 LYS CD C 13 29.1110 0.035 . 1 . . 46614 . A 144 LYS CD . 30801 1 1088 . 1 . 1 144 144 LYS CE C 13 42.2480 0.035 . 1 . . 46299 . A 144 LYS CE . 30801 1 1089 . 1 . 1 144 144 LYS N N 15 125.5880 0.035 . 1 . . 37387 . A 144 LYS N . 30801 1 1090 . 1 . 1 109 109 PRO HA H 1 4.3730 0.025 . 1 . . . . A 109 PRO HA . 30801 1 1091 . 1 . 1 109 109 PRO HB2 H 1 2.2070 0.025 . 2 . . . . A 109 PRO HB2 . 30801 1 1092 . 1 . 1 109 109 PRO HB3 H 1 1.8590 0.025 . 2 . . . . A 109 PRO HB3 . 30801 1 1093 . 1 . 1 109 109 PRO HG2 H 1 1.9450 0.025 . 2 . . . . A 109 PRO HG2 . 30801 1 1094 . 1 . 1 109 109 PRO HD2 H 1 3.5860 0.025 . 2 . . . . A 109 PRO HD2 . 30801 1 1095 . 1 . 1 109 109 PRO HD3 H 1 3.7120 0.025 . 2 . . . . A 109 PRO HD3 . 30801 1 1096 . 1 . 1 109 109 PRO CA C 13 63.0980 0.035 . 1 . . 34037 . A 109 PRO CA . 30801 1 1097 . 1 . 1 109 109 PRO CB C 13 31.9130 0.035 . 1 . . 35075 . A 109 PRO CB . 30801 1 1098 . 1 . 1 109 109 PRO CG C 13 27.3970 0.035 . 1 . . 46668 . A 109 PRO CG . 30801 1 1099 . 1 . 1 109 109 PRO CD C 13 50.5570 0.035 . 1 . . . . A 109 PRO CD . 30801 1 1100 . 1 . 1 110 110 LEU H H 1 8.1540 0.025 . 1 . . 34036 . A 110 LEU H . 30801 1 1101 . 1 . 1 110 110 LEU HA H 1 4.2760 0.025 . 1 . . 47400 . A 110 LEU HA . 30801 1 1102 . 1 . 1 110 110 LEU HB2 H 1 1.5680 0.025 . 2 . . 47358 . A 110 LEU HB2 . 30801 1 1103 . 1 . 1 110 110 LEU HB3 H 1 1.6550 0.025 . 2 . . . . A 110 LEU HB3 . 30801 1 1104 . 1 . 1 110 110 LEU HD11 H 1 0.8530 0.025 . 2 . . 47361 . A 110 LEU HD11 . 30801 1 1105 . 1 . 1 110 110 LEU HD12 H 1 0.8530 0.025 . 2 . . 47361 . A 110 LEU HD12 . 30801 1 1106 . 1 . 1 110 110 LEU HD13 H 1 0.8530 0.025 . 2 . . 47361 . A 110 LEU HD13 . 30801 1 1107 . 1 . 1 110 110 LEU CA C 13 55.2450 0.035 . 1 . . 44761 . A 110 LEU CA . 30801 1 1108 . 1 . 1 110 110 LEU CB C 13 42.5320 0.035 . 1 . . 44748 . A 110 LEU CB . 30801 1 1109 . 1 . 1 110 110 LEU CG C 13 27.2330 0.035 . 1 . . . . A 110 LEU CG . 30801 1 1110 . 1 . 1 110 110 LEU CD1 C 13 24.8200 0.035 . 2 . . 46734 . A 110 LEU CD1 . 30801 1 1111 . 1 . 1 110 110 LEU CD2 C 13 24.1270 0.035 . 2 . . 48393 . A 110 LEU CD2 . 30801 1 1112 . 1 . 1 110 110 LEU N N 15 121.4910 0.035 . 1 . . 34038 . A 110 LEU N . 30801 1 1113 . 1 . 1 112 112 ARG H H 1 8.2210 0.025 . 1 . . 43231 . A 112 ARG H . 30801 1 1114 . 1 . 1 112 112 ARG HA H 1 4.3430 0.025 . 1 . . 47184 . A 112 ARG HA . 30801 1 1115 . 1 . 1 112 112 ARG HB2 H 1 1.7640 0.025 . 2 . . 47139 . A 112 ARG HB2 . 30801 1 1116 . 1 . 1 112 112 ARG HD2 H 1 3.1400 0.025 . 2 . . 47142 . A 112 ARG HD2 . 30801 1 1117 . 1 . 1 112 112 ARG HD3 H 1 2.9490 0.025 . 2 . . 47136 . A 112 ARG HD3 . 30801 1 1118 . 1 . 1 112 112 ARG CA C 13 55.9510 0.035 . 1 . . 43238 . A 112 ARG CA . 30801 1 1119 . 1 . 1 112 112 ARG CB C 13 31.0000 0.035 . 1 . . 43235 . A 112 ARG CB . 30801 1 1120 . 1 . 1 112 112 ARG CG C 13 27.2080 0.035 . 1 . . 46665 . A 112 ARG CG . 30801 1 1121 . 1 . 1 112 112 ARG CD C 13 43.2930 0.035 . 1 . . 46278 . A 112 ARG CD . 30801 1 1122 . 1 . 1 112 112 ARG N N 15 122.8160 0.035 . 1 . . 43233 . A 112 ARG N . 30801 1 1123 . 1 . 1 113 113 VAL H H 1 8.2420 0.025 . 1 . . 35242 . A 113 VAL H . 30801 1 1124 . 1 . 1 113 113 VAL HA H 1 4.0590 0.025 . 1 . . 46956 . A 113 VAL HA . 30801 1 1125 . 1 . 1 113 113 VAL HB H 1 2.0250 0.025 . 1 . . 46959 . A 113 VAL HB . 30801 1 1126 . 1 . 1 113 113 VAL HG11 H 1 0.9030 0.025 . 2 . . 46962 . A 113 VAL HG11 . 30801 1 1127 . 1 . 1 113 113 VAL HG12 H 1 0.9030 0.025 . 2 . . 46962 . A 113 VAL HG12 . 30801 1 1128 . 1 . 1 113 113 VAL HG13 H 1 0.9030 0.025 . 2 . . 46962 . A 113 VAL HG13 . 30801 1 1129 . 1 . 1 113 113 VAL HG21 H 1 0.9350 0.025 . 2 . . 46962 . A 113 VAL HG21 . 30801 1 1130 . 1 . 1 113 113 VAL HG22 H 1 0.9350 0.025 . 2 . . 46962 . A 113 VAL HG22 . 30801 1 1131 . 1 . 1 113 113 VAL HG23 H 1 0.9350 0.025 . 2 . . 46962 . A 113 VAL HG23 . 30801 1 1132 . 1 . 1 113 113 VAL CA C 13 62.6640 0.035 . 1 . . 42586 . A 113 VAL CA . 30801 1 1133 . 1 . 1 113 113 VAL CB C 13 32.4580 0.035 . 1 . . 43186 . A 113 VAL CB . 30801 1 1134 . 1 . 1 113 113 VAL CG1 C 13 21.2210 0.035 . 2 . . 46827 . A 113 VAL CG1 . 30801 1 1135 . 1 . 1 113 113 VAL CG2 C 13 20.8140 0.035 . 2 . . 46827 . A 113 VAL CG2 . 30801 1 1136 . 1 . 1 113 113 VAL N N 15 122.4680 0.035 . 1 . . 35244 . A 113 VAL N . 30801 1 1137 . 1 . 1 114 114 ARG H H 1 8.3200 0.025 . 1 . . 35143 . A 114 ARG H . 30801 1 1138 . 1 . 1 114 114 ARG HA H 1 4.4180 0.025 . 1 . . 47373 . A 114 ARG HA . 30801 1 1139 . 1 . 1 114 114 ARG HB2 H 1 1.6950 0.025 . 2 . . . . A 114 ARG HB2 . 30801 1 1140 . 1 . 1 114 114 ARG HB3 H 1 1.6560 0.025 . 2 . . . . A 114 ARG HB3 . 30801 1 1141 . 1 . 1 114 114 ARG HG2 H 1 1.3620 0.025 . 2 . . . . A 114 ARG HG2 . 30801 1 1142 . 1 . 1 114 114 ARG HG3 H 1 1.6470 0.025 . 2 . . . . A 114 ARG HG3 . 30801 1 1143 . 1 . 1 114 114 ARG HD2 H 1 3.0120 0.025 . 2 . . . . A 114 ARG HD2 . 30801 1 1144 . 1 . 1 114 114 ARG HD3 H 1 2.9630 0.025 . 2 . . . . A 114 ARG HD3 . 30801 1 1145 . 1 . 1 114 114 ARG CA C 13 55.2450 0.035 . 1 . . 41965 . A 114 ARG CA . 30801 1 1146 . 1 . 1 114 114 ARG CB C 13 32.1340 0.035 . 1 . . 41963 . A 114 ARG CB . 30801 1 1147 . 1 . 1 114 114 ARG CG C 13 27.8150 0.035 . 1 . . 46650 . A 114 ARG CG . 30801 1 1148 . 1 . 1 114 114 ARG CD C 13 43.3970 0.035 . 1 . . . . A 114 ARG CD . 30801 1 1149 . 1 . 1 114 114 ARG N N 15 125.1120 0.035 . 1 . . 35145 . A 114 ARG N . 30801 1 1150 . 1 . 1 115 115 MET H H 1 8.2360 0.025 . 1 . . 36062 . A 115 MET H . 30801 1 1151 . 1 . 1 115 115 MET HA H 1 4.5190 0.025 . 1 . . 47388 . A 115 MET HA . 30801 1 1152 . 1 . 1 115 115 MET HB2 H 1 1.9990 0.025 . 2 . . . . A 115 MET HB2 . 30801 1 1153 . 1 . 1 115 115 MET HG2 H 1 2.5870 0.025 . 2 . . 47391 . A 115 MET HG2 . 30801 1 1154 . 1 . 1 115 115 MET HG3 H 1 2.6680 0.025 . 1 . . . . A 115 MET HG3 . 30801 1 1155 . 1 . 1 115 115 MET HE1 H 1 1.5760 0.025 . 1 . . . . A 115 MET HE1 . 30801 1 1156 . 1 . 1 115 115 MET HE2 H 1 1.5760 0.025 . 1 . . . . A 115 MET HE2 . 30801 1 1157 . 1 . 1 115 115 MET HE3 H 1 1.5760 0.025 . 1 . . . . A 115 MET HE3 . 30801 1 1158 . 1 . 1 115 115 MET CA C 13 55.0640 0.035 . 1 . . 41973 . A 115 MET CA . 30801 1 1159 . 1 . 1 115 115 MET CB C 13 35.2950 0.035 . 1 . . 41969 . A 115 MET CB . 30801 1 1160 . 1 . 1 115 115 MET CG C 13 31.2270 0.035 . 1 . . 46575 . A 115 MET CG . 30801 1 1161 . 1 . 1 115 115 MET CE C 13 18.0360 0.035 . 1 . . . . A 115 MET CE . 30801 1 1162 . 1 . 1 115 115 MET N N 15 121.2120 0.035 . 1 . . 36063 . A 115 MET N . 30801 1 1163 . 1 . 1 116 116 SER H H 1 8.8540 0.025 . 1 . . 41899 . A 116 SER H . 30801 1 1164 . 1 . 1 116 116 SER HA H 1 5.0140 0.025 . 1 . . 48351 . A 116 SER HA . 30801 1 1165 . 1 . 1 116 116 SER HB2 H 1 4.2560 0.025 . 2 . . 48354 . A 116 SER HB2 . 30801 1 1166 . 1 . 1 116 116 SER HB3 H 1 4.0220 0.025 . 2 . . 48357 . A 116 SER HB3 . 30801 1 1167 . 1 . 1 116 116 SER CA C 13 57.8610 0.035 . 1 . . 41906 . A 116 SER CA . 30801 1 1168 . 1 . 1 116 116 SER CB C 13 63.8920 0.035 . 1 . . 41909 . A 116 SER CB . 30801 1 1169 . 1 . 1 116 116 SER N N 15 121.0760 0.035 . 1 . . 41901 . A 116 SER N . 30801 1 1170 . 1 . 1 117 117 ALA H H 1 10.1920 0.025 . 1 . . 34954 . A 117 ALA H . 30801 1 1171 . 1 . 1 117 117 ALA HA H 1 4.1420 0.025 . 1 . . . . A 117 ALA HA . 30801 1 1172 . 1 . 1 117 117 ALA HB1 H 1 1.4360 0.025 . 1 . . 47976 . A 117 ALA HB1 . 30801 1 1173 . 1 . 1 117 117 ALA HB2 H 1 1.4360 0.025 . 1 . . 47976 . A 117 ALA HB2 . 30801 1 1174 . 1 . 1 117 117 ALA HB3 H 1 1.4360 0.025 . 1 . . 47976 . A 117 ALA HB3 . 30801 1 1175 . 1 . 1 117 117 ALA CA C 13 55.6560 0.035 . 1 . . 41955 . A 117 ALA CA . 30801 1 1176 . 1 . 1 117 117 ALA CB C 13 18.3600 0.035 . 1 . . 41959 . A 117 ALA CB . 30801 1 1177 . 1 . 1 117 117 ALA N N 15 128.0820 0.035 . 1 . . 34956 . A 117 ALA N . 30801 1 1178 . 1 . 1 118 118 ASP H H 1 8.5830 0.025 . 1 . . 34729 . A 118 ASP H . 30801 1 1179 . 1 . 1 118 118 ASP HA H 1 4.1500 0.025 . 1 . . . . A 118 ASP HA . 30801 1 1180 . 1 . 1 118 118 ASP HB2 H 1 2.7500 0.025 . 2 . . 47550 . A 118 ASP HB2 . 30801 1 1181 . 1 . 1 118 118 ASP HB3 H 1 2.5470 0.025 . 2 . . 47553 . A 118 ASP HB3 . 30801 1 1182 . 1 . 1 118 118 ASP CA C 13 58.3390 0.035 . 1 . . 34727 . A 118 ASP CA . 30801 1 1183 . 1 . 1 118 118 ASP CB C 13 43.3140 0.035 . 1 . . 34733 . A 118 ASP CB . 30801 1 1184 . 1 . 1 118 118 ASP N N 15 115.1790 0.035 . 1 . . 34731 . A 118 ASP N . 30801 1 1185 . 1 . 1 119 119 ALA H H 1 7.9590 0.025 . 1 . . 35494 . A 119 ALA H . 30801 1 1186 . 1 . 1 119 119 ALA HA H 1 3.9460 0.025 . 1 . . . . A 119 ALA HA . 30801 1 1187 . 1 . 1 119 119 ALA HB1 H 1 1.4760 0.025 . 1 . . 47490 . A 119 ALA HB1 . 30801 1 1188 . 1 . 1 119 119 ALA HB2 H 1 1.4760 0.025 . 1 . . 47490 . A 119 ALA HB2 . 30801 1 1189 . 1 . 1 119 119 ALA HB3 H 1 1.4760 0.025 . 1 . . 47490 . A 119 ALA HB3 . 30801 1 1190 . 1 . 1 119 119 ALA CA C 13 55.1010 0.035 . 1 . . 39441 . A 119 ALA CA . 30801 1 1191 . 1 . 1 119 119 ALA CB C 13 18.5520 0.035 . 1 . . 34301 . A 119 ALA CB . 30801 1 1192 . 1 . 1 119 119 ALA N N 15 120.0370 0.035 . 1 . . 35496 . A 119 ALA N . 30801 1 1193 . 1 . 1 120 120 MET H H 1 8.6180 0.025 . 1 . . 35461 . A 120 MET H . 30801 1 1194 . 1 . 1 120 120 MET HA H 1 3.7860 0.025 . 1 . . 47820 . A 120 MET HA . 30801 1 1195 . 1 . 1 120 120 MET HB2 H 1 1.4990 0.025 . 2 . . . . A 120 MET HB2 . 30801 1 1196 . 1 . 1 120 120 MET HB3 H 1 1.9450 0.025 . 2 . . . . A 120 MET HB3 . 30801 1 1197 . 1 . 1 120 120 MET HG2 H 1 1.9630 0.025 . 2 . . . . A 120 MET HG2 . 30801 1 1198 . 1 . 1 120 120 MET HE1 H 1 2.0000 0.025 . 1 . . . . A 120 MET HE1 . 30801 1 1199 . 1 . 1 120 120 MET HE2 H 1 2.0000 0.025 . 1 . . . . A 120 MET HE2 . 30801 1 1200 . 1 . 1 120 120 MET HE3 H 1 2.0000 0.025 . 1 . . . . A 120 MET HE3 . 30801 1 1201 . 1 . 1 120 120 MET CA C 13 59.6500 0.035 . 1 . . 34229 . A 120 MET CA . 30801 1 1202 . 1 . 1 120 120 MET CB C 13 32.0890 0.035 . 1 . . 34256 . A 120 MET CB . 30801 1 1203 . 1 . 1 120 120 MET CG C 13 32.1680 0.035 . 1 . . . . A 120 MET CG . 30801 1 1204 . 1 . 1 120 120 MET CE C 13 16.6080 0.035 . 1 . . . . A 120 MET CE . 30801 1 1205 . 1 . 1 120 120 MET N N 15 120.3840 0.035 . 1 . . 35463 . A 120 MET N . 30801 1 1206 . 1 . 1 121 121 LEU H H 1 8.0169 0.025 . 1 . . 36288 . A 121 LEU H . 30801 1 1207 . 1 . 1 121 121 LEU HA H 1 3.8610 0.025 . 1 . . 47394 . A 121 LEU HA . 30801 1 1208 . 1 . 1 121 121 LEU HB2 H 1 0.9320 0.025 . 2 . . . . A 121 LEU HB2 . 30801 1 1209 . 1 . 1 121 121 LEU HB3 H 1 0.5640 0.025 . 2 . . 48366 . A 121 LEU HB3 . 30801 1 1210 . 1 . 1 121 121 LEU HG H 1 1.7230 0.025 . 1 . . . . A 121 LEU HG . 30801 1 1211 . 1 . 1 121 121 LEU HD11 H 1 1.0650 0.025 . 2 . . . . A 121 LEU HD11 . 30801 1 1212 . 1 . 1 121 121 LEU HD12 H 1 1.0650 0.025 . 2 . . . . A 121 LEU HD12 . 30801 1 1213 . 1 . 1 121 121 LEU HD13 H 1 1.0650 0.025 . 2 . . . . A 121 LEU HD13 . 30801 1 1214 . 1 . 1 121 121 LEU HD21 H 1 0.8640 0.025 . 2 . . 48363 . A 121 LEU HD21 . 30801 1 1215 . 1 . 1 121 121 LEU HD22 H 1 0.8640 0.025 . 2 . . 48363 . A 121 LEU HD22 . 30801 1 1216 . 1 . 1 121 121 LEU HD23 H 1 0.8640 0.025 . 2 . . 48363 . A 121 LEU HD23 . 30801 1 1217 . 1 . 1 121 121 LEU CA C 13 57.9810 0.035 . 1 . . 34541 . A 121 LEU CA . 30801 1 1218 . 1 . 1 121 121 LEU CB C 13 40.3960 0.035 . 1 . . 34559 . A 121 LEU CB . 30801 1 1219 . 1 . 1 121 121 LEU CG C 13 26.8300 0.035 . 1 . . . . A 121 LEU CG . 30801 1 1220 . 1 . 1 121 121 LEU CD1 C 13 27.8714 0.035 . 2 . . . . A 121 LEU CD1 . 30801 1 1221 . 1 . 1 121 121 LEU CD2 C 13 23.3230 0.035 . 2 . . 46788 . A 121 LEU CD2 . 30801 1 1222 . 1 . 1 121 121 LEU N N 15 117.7320 0.035 . 1 . . 36289 . A 121 LEU N . 30801 1 1223 . 1 . 1 122 122 LYS H H 1 8.4010 0.025 . 1 . . 34102 . A 122 LYS H . 30801 1 1224 . 1 . 1 122 122 LYS HA H 1 4.0530 0.025 . 1 . . 47379 . A 122 LYS HA . 30801 1 1225 . 1 . 1 122 122 LYS HB2 H 1 1.9700 0.025 . 2 . . 47382 . A 122 LYS HB2 . 30801 1 1226 . 1 . 1 122 122 LYS HB3 H 1 1.9240 0.025 . 2 . . 47385 . A 122 LYS HB3 . 30801 1 1227 . 1 . 1 122 122 LYS HG2 H 1 1.6720 0.025 . 2 . . . . A 122 LYS HG2 . 30801 1 1228 . 1 . 1 122 122 LYS HG3 H 1 1.5480 0.025 . 2 . . . . A 122 LYS HG3 . 30801 1 1229 . 1 . 1 122 122 LYS HD2 H 1 1.6970 0.025 . 2 . . . . A 122 LYS HD2 . 30801 1 1230 . 1 . 1 122 122 LYS HE2 H 1 3.0000 0.025 . 2 . . . . A 122 LYS HE2 . 30801 1 1231 . 1 . 1 122 122 LYS CA C 13 60.0070 0.035 . 1 . . 34103 . A 122 LYS CA . 30801 1 1232 . 1 . 1 122 122 LYS CB C 13 32.6930 0.035 . 1 . . 34127 . A 122 LYS CB . 30801 1 1233 . 1 . 1 122 122 LYS CG C 13 25.5000 0.035 . 1 . . 46713 . A 122 LYS CG . 30801 1 1234 . 1 . 1 122 122 LYS CD C 13 29.4110 0.035 . 1 . . 46608 . A 122 LYS CD . 30801 1 1235 . 1 . 1 122 122 LYS CE C 13 42.1610 0.035 . 1 . . 46308 . A 122 LYS CE . 30801 1 1236 . 1 . 1 122 122 LYS N N 15 120.9710 0.035 . 1 . . 34104 . A 122 LYS N . 30801 1 1237 . 1 . 1 123 123 ALA H H 1 7.8150 0.025 . 1 . . 36164 . A 123 ALA H . 30801 1 1238 . 1 . 1 123 123 ALA HA H 1 4.0660 0.025 . 1 . . . . A 123 ALA HA . 30801 1 1239 . 1 . 1 123 123 ALA HB1 H 1 1.4140 0.025 . 1 . . 47979 . A 123 ALA HB1 . 30801 1 1240 . 1 . 1 123 123 ALA HB2 H 1 1.4140 0.025 . 1 . . 47979 . A 123 ALA HB2 . 30801 1 1241 . 1 . 1 123 123 ALA HB3 H 1 1.4140 0.025 . 1 . . 47979 . A 123 ALA HB3 . 30801 1 1242 . 1 . 1 123 123 ALA CA C 13 54.8100 0.035 . 1 . . 34079 . A 123 ALA CA . 30801 1 1243 . 1 . 1 123 123 ALA CB C 13 18.7800 0.035 . 1 . . 34091 . A 123 ALA CB . 30801 1 1244 . 1 . 1 123 123 ALA N N 15 121.0920 0.035 . 1 . . 36165 . A 123 ALA N . 30801 1 1245 . 1 . 1 125 125 LEU H H 1 8.5690 0.025 . 1 . . 34765 . A 125 LEU H . 30801 1 1246 . 1 . 1 125 125 LEU HA H 1 4.4330 0.025 . 1 . . 48075 . A 125 LEU HA . 30801 1 1247 . 1 . 1 125 125 LEU HB2 H 1 1.8740 0.025 . 2 . . 48078 . A 125 LEU HB2 . 30801 1 1248 . 1 . 1 125 125 LEU HB3 H 1 1.3510 0.025 . 2 . . . . A 125 LEU HB3 . 30801 1 1249 . 1 . 1 125 125 LEU HG H 1 1.6740 0.025 . 1 . . 48072 . A 125 LEU HG . 30801 1 1250 . 1 . 1 125 125 LEU HD11 H 1 1.0650 0.025 . 2 . . 48081 . A 125 LEU HD11 . 30801 1 1251 . 1 . 1 125 125 LEU HD12 H 1 1.0650 0.025 . 2 . . 48081 . A 125 LEU HD12 . 30801 1 1252 . 1 . 1 125 125 LEU HD13 H 1 1.0650 0.025 . 2 . . 48081 . A 125 LEU HD13 . 30801 1 1253 . 1 . 1 125 125 LEU HD21 H 1 0.8420 0.025 . 2 . . 48084 . A 125 LEU HD21 . 30801 1 1254 . 1 . 1 125 125 LEU HD22 H 1 0.8420 0.025 . 2 . . 48084 . A 125 LEU HD22 . 30801 1 1255 . 1 . 1 125 125 LEU HD23 H 1 0.8420 0.025 . 2 . . 48084 . A 125 LEU HD23 . 30801 1 1256 . 1 . 1 125 125 LEU CA C 13 54.5430 0.035 . 1 . . 34763 . A 125 LEU CA . 30801 1 1257 . 1 . 1 125 125 LEU CB C 13 44.0830 0.035 . 1 . . 34766 . A 125 LEU CB . 30801 1 1258 . 1 . 1 125 125 LEU CG C 13 27.9530 0.035 . 1 . . 46647 . A 125 LEU CG . 30801 1 1259 . 1 . 1 125 125 LEU CD1 C 13 26.6030 0.035 . 2 . . 46698 . A 125 LEU CD1 . 30801 1 1260 . 1 . 1 125 125 LEU CD2 C 13 22.9170 0.035 . 2 . . 46803 . A 125 LEU CD2 . 30801 1 1261 . 1 . 1 125 125 LEU N N 15 113.8930 0.035 . 1 . . 34767 . A 125 LEU N . 30801 1 1262 . 1 . 1 126 126 GLY H H 1 7.9410 0.025 . 1 . . 39443 . A 126 GLY H . 30801 1 1263 . 1 . 1 126 126 GLY HA2 H 1 4.0280 0.025 . 2 . . . . A 126 GLY HA2 . 30801 1 1264 . 1 . 1 126 126 GLY CA C 13 47.1350 0.035 . 1 . . 39453 . A 126 GLY CA . 30801 1 1265 . 1 . 1 126 126 GLY N N 15 112.3530 0.035 . 1 . . 39445 . A 126 GLY N . 30801 1 1266 . 1 . 1 127 127 SER HA H 1 4.2860 0.025 . 1 . . 47727 . A 127 SER HA . 30801 1 1267 . 1 . 1 127 127 SER HB2 H 1 4.0370 0.025 . 2 . . 47730 . A 127 SER HB2 . 30801 1 1268 . 1 . 1 127 127 SER HB3 H 1 3.9720 0.025 . 2 . . . . A 127 SER HB3 . 30801 1 1269 . 1 . 1 127 127 SER CA C 13 60.4690 0.035 . 1 . . 34478 . A 127 SER CA . 30801 1 1270 . 1 . 1 127 127 SER CB C 13 62.9160 0.035 . 1 . . 41589 . A 127 SER CB . 30801 1 1271 . 1 . 1 128 128 LYS H H 1 7.8210 0.025 . 1 . . 34477 . A 128 LYS H . 30801 1 1272 . 1 . 1 128 128 LYS HA H 1 4.2100 0.025 . 1 . . 47787 . A 128 LYS HA . 30801 1 1273 . 1 . 1 128 128 LYS HB2 H 1 1.9520 0.025 . 2 . . 47790 . A 128 LYS HB2 . 30801 1 1274 . 1 . 1 128 128 LYS HG2 H 1 1.6110 0.025 . 2 . . 47796 . A 128 LYS HG2 . 30801 1 1275 . 1 . 1 128 128 LYS HG3 H 1 1.4750 0.025 . 2 . . . . A 128 LYS HG3 . 30801 1 1276 . 1 . 1 128 128 LYS HD2 H 1 1.7170 0.025 . 2 . . 47793 . A 128 LYS HD2 . 30801 1 1277 . 1 . 1 128 128 LYS HD3 H 1 1.7490 0.025 . 2 . . . . A 128 LYS HD3 . 30801 1 1278 . 1 . 1 128 128 LYS HE2 H 1 3.0170 0.025 . 2 . . 47799 . A 128 LYS HE2 . 30801 1 1279 . 1 . 1 128 128 LYS CA C 13 57.1270 0.035 . 1 . . 34469 . A 128 LYS CA . 30801 1 1280 . 1 . 1 128 128 LYS CB C 13 31.8150 0.035 . 1 . . 34490 . A 128 LYS CB . 30801 1 1281 . 1 . 1 128 128 LYS CG C 13 25.6590 0.035 . 1 . . 46722 . A 128 LYS CG . 30801 1 1282 . 1 . 1 128 128 LYS CD C 13 29.0010 0.035 . 1 . . 46635 . A 128 LYS CD . 30801 1 1283 . 1 . 1 128 128 LYS CE C 13 42.1830 0.035 . 1 . . 46329 . A 128 LYS CE . 30801 1 1284 . 1 . 1 128 128 LYS N N 15 118.6170 0.035 . 1 . . 34479 . A 128 LYS N . 30801 1 1285 . 1 . 1 129 129 HIS H H 1 7.8800 0.025 . 1 . . 36158 . A 129 HIS H . 30801 1 1286 . 1 . 1 129 129 HIS HA H 1 5.2170 0.025 . 1 . . . . A 129 HIS HA . 30801 1 1287 . 1 . 1 129 129 HIS HB2 H 1 3.5100 0.025 . 2 . . 48369 . A 129 HIS HB2 . 30801 1 1288 . 1 . 1 129 129 HIS HB3 H 1 2.7660 0.025 . 2 . . 48234 . A 129 HIS HB3 . 30801 1 1289 . 1 . 1 129 129 HIS CA C 13 53.9530 0.035 . 1 . . 34550 . A 129 HIS CA . 30801 1 1290 . 1 . 1 129 129 HIS CB C 13 27.9070 0.035 . 1 . . 34574 . A 129 HIS CB . 30801 1 1291 . 1 . 1 129 129 HIS N N 15 117.7690 0.035 . 1 . . 36159 . A 129 HIS N . 30801 1 1292 . 1 . 1 130 130 LYS H H 1 9.5650 0.025 . 1 . . 35884 . A 130 LYS H . 30801 1 1293 . 1 . 1 130 130 LYS HA H 1 4.3040 0.025 . 1 . . 47928 . A 130 LYS HA . 30801 1 1294 . 1 . 1 130 130 LYS HB2 H 1 1.7730 0.025 . 2 . . . . A 130 LYS HB2 . 30801 1 1295 . 1 . 1 130 130 LYS HB3 H 1 1.6270 0.025 . 2 . . . . A 130 LYS HB3 . 30801 1 1296 . 1 . 1 130 130 LYS HG2 H 1 1.2890 0.025 . 2 . . 47934 . A 130 LYS HG2 . 30801 1 1297 . 1 . 1 130 130 LYS HD2 H 1 1.6430 0.025 . 2 . . 47931 . A 130 LYS HD2 . 30801 1 1298 . 1 . 1 130 130 LYS HE3 H 1 2.9960 0.025 . 2 . . 48372 . A 130 LYS HE3 . 30801 1 1299 . 1 . 1 130 130 LYS CA C 13 56.0900 0.035 . 1 . . 34913 . A 130 LYS CA . 30801 1 1300 . 1 . 1 130 130 LYS CB C 13 36.1660 0.035 . 1 . . 34931 . A 130 LYS CB . 30801 1 1301 . 1 . 1 130 130 LYS CG C 13 24.4110 0.035 . 1 . . 46767 . A 130 LYS CG . 30801 1 1302 . 1 . 1 130 130 LYS CD C 13 28.9690 0.035 . 1 . . 46641 . A 130 LYS CD . 30801 1 1303 . 1 . 1 130 130 LYS CE C 13 42.2650 0.035 . 1 . . 46332 . A 130 LYS CE . 30801 1 1304 . 1 . 1 130 130 LYS N N 15 128.6200 0.035 . 1 . . 35886 . A 130 LYS N . 30801 1 1305 . 1 . 1 131 131 VAL H H 1 8.0860 0.025 . 1 . . 34633 . A 131 VAL H . 30801 1 1306 . 1 . 1 131 131 VAL HA H 1 4.0220 0.025 . 1 . . 47133 . A 131 VAL HA . 30801 1 1307 . 1 . 1 131 131 VAL HB H 1 2.1060 0.025 . 1 . . . . A 131 VAL HB . 30801 1 1308 . 1 . 1 131 131 VAL HG11 H 1 0.8690 0.025 . 2 . . 47151 . A 131 VAL HG11 . 30801 1 1309 . 1 . 1 131 131 VAL HG12 H 1 0.8690 0.025 . 2 . . 47151 . A 131 VAL HG12 . 30801 1 1310 . 1 . 1 131 131 VAL HG13 H 1 0.8690 0.025 . 2 . . 47151 . A 131 VAL HG13 . 30801 1 1311 . 1 . 1 131 131 VAL HG21 H 1 0.9380 0.025 . 2 . . . . A 131 VAL HG21 . 30801 1 1312 . 1 . 1 131 131 VAL HG22 H 1 0.9380 0.025 . 2 . . . . A 131 VAL HG22 . 30801 1 1313 . 1 . 1 131 131 VAL HG23 H 1 0.9380 0.025 . 2 . . . . A 131 VAL HG23 . 30801 1 1314 . 1 . 1 131 131 VAL CA C 13 61.9710 0.035 . 1 . . 34634 . A 131 VAL CA . 30801 1 1315 . 1 . 1 131 131 VAL CB C 13 32.3730 0.035 . 1 . . 34661 . A 131 VAL CB . 30801 1 1316 . 1 . 1 131 131 VAL CG1 C 13 21.4440 0.035 . 2 . . 46812 . A 131 VAL CG1 . 30801 1 1317 . 1 . 1 131 131 VAL CG2 C 13 19.5950 0.035 . 2 . . 46839 . A 131 VAL CG2 . 30801 1 1318 . 1 . 1 131 131 VAL N N 15 116.6730 0.035 . 1 . . 34635 . A 131 VAL N . 30801 1 1319 . 1 . 1 132 132 CYS H H 1 8.3460 0.025 . 1 . . 35224 . A 132 CYS H . 30801 1 1320 . 1 . 1 132 132 CYS HA H 1 4.2300 0.025 . 1 . . . . A 132 CYS HA . 30801 1 1321 . 1 . 1 132 132 CYS HB2 H 1 2.8110 0.025 . 2 . . . . A 132 CYS HB2 . 30801 1 1322 . 1 . 1 132 132 CYS HB3 H 1 3.0660 0.025 . 2 . . . . A 132 CYS HB3 . 30801 1 1323 . 1 . 1 132 132 CYS CA C 13 59.1980 0.035 . 1 . . 33800 . A 132 CYS CA . 30801 1 1324 . 1 . 1 132 132 CYS CB C 13 27.1890 0.035 . 1 . . 33818 . A 132 CYS CB . 30801 1 1325 . 1 . 1 132 132 CYS N N 15 122.6330 0.035 . 1 . . 35226 . A 132 CYS N . 30801 1 1326 . 1 . 1 133 133 MET H H 1 8.7660 0.025 . 1 . . 35986 . A 133 MET H . 30801 1 1327 . 1 . 1 133 133 MET HA H 1 4.8590 0.025 . 1 . . 47364 . A 133 MET HA . 30801 1 1328 . 1 . 1 133 133 MET HB2 H 1 2.0380 0.025 . 2 . . . . A 133 MET HB2 . 30801 1 1329 . 1 . 1 133 133 MET HB3 H 1 2.4460 0.025 . 2 . . . . A 133 MET HB3 . 30801 1 1330 . 1 . 1 133 133 MET HG2 H 1 2.4440 0.025 . 2 . . . . A 133 MET HG2 . 30801 1 1331 . 1 . 1 133 133 MET HE1 H 1 2.3860 0.025 . 1 . . . . A 133 MET HE1 . 30801 1 1332 . 1 . 1 133 133 MET HE2 H 1 2.3860 0.025 . 1 . . . . A 133 MET HE2 . 30801 1 1333 . 1 . 1 133 133 MET HE3 H 1 2.3860 0.025 . 1 . . . . A 133 MET HE3 . 30801 1 1334 . 1 . 1 133 133 MET CA C 13 53.4960 0.035 . 1 . . 35012 . A 133 MET CA . 30801 1 1335 . 1 . 1 133 133 MET CB C 13 29.9600 0.035 . 1 . . 35027 . A 133 MET CB . 30801 1 1336 . 1 . 1 133 133 MET CG C 13 32.8470 0.035 . 1 . . 46521 . A 133 MET CG . 30801 1 1337 . 1 . 1 133 133 MET CE C 13 19.0040 0.035 . 1 . . . . A 133 MET CE . 30801 1 1338 . 1 . 1 133 133 MET N N 15 126.9920 0.035 . 1 . . 35987 . A 133 MET N . 30801 1 1339 . 1 . 1 134 134 ASP H H 1 7.6770 0.025 . 1 . . 34063 . A 134 ASP H . 30801 1 1340 . 1 . 1 134 134 ASP HA H 1 4.7140 0.025 . 1 . . 46971 . A 134 ASP HA . 30801 1 1341 . 1 . 1 134 134 ASP HB2 H 1 2.7180 0.025 . 2 . . 46974 . A 134 ASP HB2 . 30801 1 1342 . 1 . 1 134 134 ASP HB3 H 1 2.5700 0.025 . 2 . . 46989 . A 134 ASP HB3 . 30801 1 1343 . 1 . 1 134 134 ASP CA C 13 53.7100 0.035 . 1 . . 34046 . A 134 ASP CA . 30801 1 1344 . 1 . 1 134 134 ASP CB C 13 42.0560 0.035 . 1 . . 34058 . A 134 ASP CB . 30801 1 1345 . 1 . 1 134 134 ASP N N 15 121.3920 0.035 . 1 . . 34065 . A 134 ASP N . 30801 1 1346 . 1 . 1 135 135 LEU H H 1 8.6920 0.025 . 1 . . 35140 . A 135 LEU H . 30801 1 1347 . 1 . 1 135 135 LEU HA H 1 4.3700 0.025 . 1 . . . . A 135 LEU HA . 30801 1 1348 . 1 . 1 135 135 LEU HB2 H 1 1.5680 0.025 . 2 . . . . A 135 LEU HB2 . 30801 1 1349 . 1 . 1 135 135 LEU HB3 H 1 1.6540 0.025 . 2 . . . . A 135 LEU HB3 . 30801 1 1350 . 1 . 1 135 135 LEU HD11 H 1 0.7120 0.025 . 2 . . 47466 . A 135 LEU HD11 . 30801 1 1351 . 1 . 1 135 135 LEU HD12 H 1 0.7120 0.025 . 2 . . 47466 . A 135 LEU HD12 . 30801 1 1352 . 1 . 1 135 135 LEU HD13 H 1 0.7120 0.025 . 2 . . 47466 . A 135 LEU HD13 . 30801 1 1353 . 1 . 1 135 135 LEU HD21 H 1 0.8540 0.025 . 2 . . . . A 135 LEU HD21 . 30801 1 1354 . 1 . 1 135 135 LEU HD22 H 1 0.8540 0.025 . 2 . . . . A 135 LEU HD22 . 30801 1 1355 . 1 . 1 135 135 LEU HD23 H 1 0.8540 0.025 . 2 . . . . A 135 LEU HD23 . 30801 1 1356 . 1 . 1 135 135 LEU CA C 13 55.6720 0.035 . 1 . . 33674 . A 135 LEU CA . 30801 1 1357 . 1 . 1 135 135 LEU CB C 13 42.4300 0.035 . 1 . . 33680 . A 135 LEU CB . 30801 1 1358 . 1 . 1 135 135 LEU CD1 C 13 25.6610 0.035 . 2 . . 46716 . A 135 LEU CD1 . 30801 1 1359 . 1 . 1 135 135 LEU CD2 C 13 23.7930 0.035 . 2 . . 46770 . A 135 LEU CD2 . 30801 1 1360 . 1 . 1 135 135 LEU N N 15 124.9950 0.035 . 1 . . 35142 . A 135 LEU N . 30801 1 1361 . 1 . 1 136 136 ARG H H 1 8.5820 0.025 . 1 . . 35422 . A 136 ARG H . 30801 1 1362 . 1 . 1 136 136 ARG HA H 1 4.3010 0.025 . 1 . . 47079 . A 136 ARG HA . 30801 1 1363 . 1 . 1 136 136 ARG HB2 H 1 1.8570 0.025 . 2 . . 47115 . A 136 ARG HB2 . 30801 1 1364 . 1 . 1 136 136 ARG HB3 H 1 1.9330 0.025 . 2 . . . . A 136 ARG HB3 . 30801 1 1365 . 1 . 1 136 136 ARG HG2 H 1 1.6950 0.025 . 2 . . 47085 . A 136 ARG HG2 . 30801 1 1366 . 1 . 1 136 136 ARG HD2 H 1 3.2270 0.025 . 2 . . 47082 . A 136 ARG HD2 . 30801 1 1367 . 1 . 1 136 136 ARG CA C 13 56.6580 0.035 . 1 . . 34160 . A 136 ARG CA . 30801 1 1368 . 1 . 1 136 136 ARG CB C 13 30.5340 0.035 . 1 . . 34184 . A 136 ARG CB . 30801 1 1369 . 1 . 1 136 136 ARG CG C 13 27.2990 0.035 . 1 . . 46662 . A 136 ARG CG . 30801 1 1370 . 1 . 1 136 136 ARG CD C 13 43.5290 0.035 . 1 . . 46275 . A 136 ARG CD . 30801 1 1371 . 1 . 1 136 136 ARG N N 15 120.6700 0.035 . 1 . . 35424 . A 136 ARG N . 30801 1 1372 . 1 . 1 137 137 ALA H H 1 8.0500 0.025 . 1 . . 36126 . A 137 ALA H . 30801 1 1373 . 1 . 1 137 137 ALA HA H 1 4.2470 0.025 . 1 . . . . A 137 ALA HA . 30801 1 1374 . 1 . 1 137 137 ALA HB1 H 1 1.3950 0.025 . 1 . . 47919 . A 137 ALA HB1 . 30801 1 1375 . 1 . 1 137 137 ALA HB2 H 1 1.3950 0.025 . 1 . . 47919 . A 137 ALA HB2 . 30801 1 1376 . 1 . 1 137 137 ALA HB3 H 1 1.3950 0.025 . 1 . . 47919 . A 137 ALA HB3 . 30801 1 1377 . 1 . 1 137 137 ALA CA C 13 53.1840 0.035 . 1 . . 33764 . A 137 ALA CA . 30801 1 1378 . 1 . 1 137 137 ALA CB C 13 19.3450 0.035 . 1 . . 33779 . A 137 ALA CB . 30801 1 1379 . 1 . 1 137 137 ALA N N 15 123.0560 0.035 . 1 . . 36127 . A 137 ALA N . 30801 1 1380 . 1 . 1 138 138 ASN H H 1 8.3090 0.025 . 1 . . 35704 . A 138 ASN H . 30801 1 1381 . 1 . 1 138 138 ASN HA H 1 4.6900 0.025 . 1 . . 47298 . A 138 ASN HA . 30801 1 1382 . 1 . 1 138 138 ASN HB2 H 1 2.8490 0.025 . 2 . . 47301 . A 138 ASN HB2 . 30801 1 1383 . 1 . 1 138 138 ASN HB3 H 1 2.7390 0.025 . 2 . . 47304 . A 138 ASN HB3 . 30801 1 1384 . 1 . 1 138 138 ASN HD21 H 1 7.4938 0.025 . 2 . . . . A 138 ASN HD21 . 30801 1 1385 . 1 . 1 138 138 ASN HD22 H 1 6.8281 0.025 . 2 . . . . A 138 ASN HD22 . 30801 1 1386 . 1 . 1 138 138 ASN CA C 13 53.4360 0.035 . 1 . . 34622 . A 138 ASN CA . 30801 1 1387 . 1 . 1 138 138 ASN CB C 13 38.7130 0.035 . 1 . . 34625 . A 138 ASN CB . 30801 1 1388 . 1 . 1 138 138 ASN N N 15 116.8810 0.035 . 1 . . 35706 . A 138 ASN N . 30801 1 1389 . 1 . 1 138 138 ASN ND2 N 15 112.3743 0.035 . 1 . . . . A 138 ASN ND2 . 30801 1 1390 . 1 . 1 139 139 LEU H H 1 7.9990 0.025 . 1 . . 39284 . A 139 LEU H . 30801 1 1391 . 1 . 1 139 139 LEU HA H 1 4.2770 0.025 . 1 . . 47433 . A 139 LEU HA . 30801 1 1392 . 1 . 1 139 139 LEU HB2 H 1 1.6820 0.025 . 2 . . 47436 . A 139 LEU HB2 . 30801 1 1393 . 1 . 1 139 139 LEU HB3 H 1 1.6030 0.025 . 2 . . . . A 139 LEU HB3 . 30801 1 1394 . 1 . 1 139 139 LEU HD11 H 1 0.9060 0.025 . 2 . . 47439 . A 139 LEU HD11 . 30801 1 1395 . 1 . 1 139 139 LEU HD12 H 1 0.9060 0.025 . 2 . . 47439 . A 139 LEU HD12 . 30801 1 1396 . 1 . 1 139 139 LEU HD13 H 1 0.9060 0.025 . 2 . . 47439 . A 139 LEU HD13 . 30801 1 1397 . 1 . 1 139 139 LEU HD21 H 1 0.8610 0.025 . 2 . . . . A 139 LEU HD21 . 30801 1 1398 . 1 . 1 139 139 LEU HD22 H 1 0.8610 0.025 . 2 . . . . A 139 LEU HD22 . 30801 1 1399 . 1 . 1 139 139 LEU HD23 H 1 0.8610 0.025 . 2 . . . . A 139 LEU HD23 . 30801 1 1400 . 1 . 1 139 139 LEU CA C 13 55.6950 0.035 . 1 . . 42176 . A 139 LEU CA . 30801 1 1401 . 1 . 1 139 139 LEU CB C 13 42.1690 0.035 . 1 . . 42180 . A 139 LEU CB . 30801 1 1402 . 1 . 1 139 139 LEU CG C 13 27.1700 0.035 . 1 . . . . A 139 LEU CG . 30801 1 1403 . 1 . 1 139 139 LEU CD1 C 13 25.1010 0.035 . 2 . . 46737 . A 139 LEU CD1 . 30801 1 1404 . 1 . 1 139 139 LEU CD2 C 13 23.3440 0.035 . 2 . . 46791 . A 139 LEU CD2 . 30801 1 1405 . 1 . 1 139 139 LEU N N 15 121.6760 0.035 . 1 . . 39286 . A 139 LEU N . 30801 1 1406 . 1 . 1 140 140 LYS H H 1 8.1380 0.025 . 1 . . 35428 . A 140 LYS H . 30801 1 1407 . 1 . 1 140 140 LYS HA H 1 4.2670 0.025 . 1 . . 47400 . A 140 LYS HA . 30801 1 1408 . 1 . 1 140 140 LYS HB2 H 1 1.8320 0.025 . 2 . . 47418 . A 140 LYS HB2 . 30801 1 1409 . 1 . 1 140 140 LYS HB3 H 1 1.7730 0.025 . 2 . . 47421 . A 140 LYS HB3 . 30801 1 1410 . 1 . 1 140 140 LYS HG2 H 1 1.4100 0.025 . 2 . . 47424 . A 140 LYS HG2 . 30801 1 1411 . 1 . 1 140 140 LYS HD2 H 1 1.6630 0.025 . 2 . . . . A 140 LYS HD2 . 30801 1 1412 . 1 . 1 140 140 LYS HE2 H 1 2.9750 0.025 . 2 . . 47427 . A 140 LYS HE2 . 30801 1 1413 . 1 . 1 140 140 LYS CA C 13 56.5440 0.035 . 1 . . 42172 . A 140 LYS CA . 30801 1 1414 . 1 . 1 140 140 LYS CB C 13 32.7960 0.035 . 1 . . 42170 . A 140 LYS CB . 30801 1 1415 . 1 . 1 140 140 LYS CG C 13 24.8200 0.035 . 1 . . 46734 . A 140 LYS CG . 30801 1 1416 . 1 . 1 140 140 LYS CD C 13 29.0700 0.035 . 1 . . 46629 . A 140 LYS CD . 30801 1 1417 . 1 . 1 140 140 LYS CE C 13 42.1490 0.035 . 1 . . . . A 140 LYS CE . 30801 1 1418 . 1 . 1 140 140 LYS N N 15 120.7280 0.035 . 1 . . 35430 . A 140 LYS N . 30801 1 1419 . 1 . 1 141 141 GLN H H 1 8.1930 0.025 . 1 . . 35419 . A 141 GLN H . 30801 1 1420 . 1 . 1 141 141 GLN HA H 1 4.3400 0.025 . 1 . . 47235 . A 141 GLN HA . 30801 1 1421 . 1 . 1 141 141 GLN HB2 H 1 2.0790 0.025 . 2 . . . . A 141 GLN HB2 . 30801 1 1422 . 1 . 1 141 141 GLN HB3 H 1 1.9680 0.025 . 2 . . . . A 141 GLN HB3 . 30801 1 1423 . 1 . 1 141 141 GLN HG2 H 1 2.3340 0.025 . 2 . . 47238 . A 141 GLN HG2 . 30801 1 1424 . 1 . 1 141 141 GLN HE21 H 1 7.5106 0.025 . 2 . . . . A 141 GLN HE21 . 30801 1 1425 . 1 . 1 141 141 GLN HE22 H 1 6.8517 0.025 . 2 . . . . A 141 GLN HE22 . 30801 1 1426 . 1 . 1 141 141 GLN CA C 13 55.8140 0.035 . 1 . . 34139 . A 141 GLN CA . 30801 1 1427 . 1 . 1 141 141 GLN CB C 13 29.5390 0.035 . 1 . . 34133 . A 141 GLN CB . 30801 1 1428 . 1 . 1 141 141 GLN CG C 13 33.9280 0.035 . 1 . . 46476 . A 141 GLN CG . 30801 1 1429 . 1 . 1 141 141 GLN N N 15 120.9170 0.035 . 1 . . 35421 . A 141 GLN N . 30801 1 1430 . 1 . 1 141 141 GLN NE2 N 15 112.2466 0.035 . 1 . . . . A 141 GLN NE2 . 30801 1 1431 . 1 . 1 142 142 VAL H H 1 8.1340 0.025 . 1 . . 35056 . A 142 VAL H . 30801 1 1432 . 1 . 1 142 142 VAL HA H 1 4.0740 0.025 . 1 . . 46923 . A 142 VAL HA . 30801 1 1433 . 1 . 1 142 142 VAL HB H 1 2.0510 0.025 . 1 . . 46929 . A 142 VAL HB . 30801 1 1434 . 1 . 1 142 142 VAL HG11 H 1 0.9350 0.025 . 2 . . 46932 . A 142 VAL HG11 . 30801 1 1435 . 1 . 1 142 142 VAL HG12 H 1 0.9350 0.025 . 2 . . 46932 . A 142 VAL HG12 . 30801 1 1436 . 1 . 1 142 142 VAL HG13 H 1 0.9350 0.025 . 2 . . 46932 . A 142 VAL HG13 . 30801 1 1437 . 1 . 1 142 142 VAL HG21 H 1 0.9120 0.025 . 2 . . . . A 142 VAL HG21 . 30801 1 1438 . 1 . 1 142 142 VAL HG22 H 1 0.9120 0.025 . 2 . . . . A 142 VAL HG22 . 30801 1 1439 . 1 . 1 142 142 VAL HG23 H 1 0.9120 0.025 . 2 . . . . A 142 VAL HG23 . 30801 1 1440 . 1 . 1 142 142 VAL CA C 13 62.5550 0.035 . 1 . . 33929 . A 142 VAL CA . 30801 1 1441 . 1 . 1 142 142 VAL CB C 13 32.7920 0.035 . 1 . . 33953 . A 142 VAL CB . 30801 1 1442 . 1 . 1 142 142 VAL CG1 C 13 20.8000 0.035 . 2 . . 46824 . A 142 VAL CG1 . 30801 1 1443 . 1 . 1 142 142 VAL CG2 C 13 21.2070 0.035 . 2 . . . . A 142 VAL CG2 . 30801 1 1444 . 1 . 1 142 142 VAL N N 15 121.8480 0.035 . 1 . . 35058 . A 142 VAL N . 30801 1 1445 . 1 . 1 144 144 LYS H H 1 8.4040 0.025 . 1 . . 36036 . A 144 LYS H . 30801 1 1446 . 1 . 1 144 144 LYS HA H 1 4.2690 0.025 . 1 . . 47202 . A 144 LYS HA . 30801 1 1447 . 1 . 1 144 144 LYS HB2 H 1 1.8090 0.025 . 2 . . 48375 . A 144 LYS HB2 . 30801 1 1448 . 1 . 1 144 144 LYS HB3 H 1 1.7470 0.025 . 2 . . . . A 144 LYS HB3 . 30801 1 1449 . 1 . 1 144 144 LYS HG2 H 1 1.4030 0.025 . 2 . . 47214 . A 144 LYS HG2 . 30801 1 1450 . 1 . 1 144 144 LYS HD2 H 1 1.6740 0.025 . 2 . . 47211 . A 144 LYS HD2 . 30801 1 1451 . 1 . 1 144 144 LYS HE2 H 1 2.9780 0.025 . 2 . . 47205 . A 144 LYS HE2 . 30801 1 1452 . 1 . 1 144 144 LYS CA C 13 56.4970 0.035 . 1 . . 42186 . A 144 LYS CA . 30801 1 1453 . 1 . 1 144 144 LYS CB C 13 33.0970 0.035 . 1 . . 42190 . A 144 LYS CB . 30801 1 1454 . 1 . 1 144 144 LYS CG C 13 24.6480 0.035 . 1 . . 46755 . A 144 LYS CG . 30801 1 1455 . 1 . 1 144 144 LYS CD C 13 29.1220 0.035 . 1 . . 46623 . A 144 LYS CD . 30801 1 1456 . 1 . 1 144 144 LYS CE C 13 42.2270 0.035 . 1 . . 46302 . A 144 LYS CE . 30801 1 1457 . 1 . 1 144 144 LYS N N 15 123.9090 0.035 . 1 . . 36037 . A 144 LYS N . 30801 1 1458 . 1 . 1 145 145 GLU H H 1 8.5310 0.025 . 1 . . 36018 . A 145 GLU H . 30801 1 1459 . 1 . 1 145 145 GLU HA H 1 4.2650 0.025 . 1 . . 47259 . A 145 GLU HA . 30801 1 1460 . 1 . 1 145 145 GLU HB2 H 1 1.9770 0.025 . 2 . . . . A 145 GLU HB2 . 30801 1 1461 . 1 . 1 145 145 GLU HB3 H 1 1.8530 0.025 . 2 . . . . A 145 GLU HB3 . 30801 1 1462 . 1 . 1 145 145 GLU HG2 H 1 2.2050 0.025 . 2 . . 47262 . A 145 GLU HG2 . 30801 1 1463 . 1 . 1 145 145 GLU CA C 13 56.4490 0.035 . 1 . . 42194 . A 145 GLU CA . 30801 1 1464 . 1 . 1 145 145 GLU CB C 13 30.4620 0.035 . 1 . . 42198 . A 145 GLU CB . 30801 1 1465 . 1 . 1 145 145 GLU CG C 13 36.2780 0.035 . 1 . . 46452 . A 145 GLU CG . 30801 1 1466 . 1 . 1 145 145 GLU N N 15 122.2320 0.035 . 1 . . 36019 . A 145 GLU N . 30801 1 1467 . 1 . 1 146 146 ASP H H 1 8.3090 0.025 . 1 . . 36042 . A 146 ASP H . 30801 1 1468 . 1 . 1 146 146 ASP HA H 1 4.5740 0.025 . 1 . . . . A 146 ASP HA . 30801 1 1469 . 1 . 1 146 146 ASP HB2 H 1 2.6190 0.025 . 2 . . . . A 146 ASP HB2 . 30801 1 1470 . 1 . 1 146 146 ASP CA C 13 53.9920 0.035 . 1 . . 42730 . A 146 ASP CA . 30801 1 1471 . 1 . 1 146 146 ASP CB C 13 41.4780 0.035 . 1 . . 42732 . A 146 ASP CB . 30801 1 1472 . 1 . 1 146 146 ASP N N 15 121.6070 0.035 . 1 . . 36043 . A 146 ASP N . 30801 1 stop_ save_