data_52009 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52009 _Entry.Title ; Full assignment of 13C,15N-labeled oncogenic mutant human KRas4B-G12C(1-169) bound to GDP and free of Mg2+ ion at physiological pH ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-06-28 _Entry.Accession_date 2023-06-28 _Entry.Last_release_date 2023-06-28 _Entry.Original_release_date 2023-06-28 _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 _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 Marton Gadanecz . . . 0009-0009-8076-7597 52009 2 Gyula Palfy . . . . 52009 3 Andras Perczel . . . . 52009 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52009 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 463 52009 '15N chemical shifts' 158 52009 '1H chemical shifts' 906 52009 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 . . 2023-09-11 2023-06-28 update BMRB 'update entry citation' 52009 1 . . 2023-07-02 2023-06-28 original author 'original release' 52009 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52009 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37569478 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; NMR-Chemical-Shift-Driven Protocol Reveals the Cofactor-Bound, Complete Structure of Dynamic Intermediates of the Catalytic Cycle of Oncogenic KRAS G12C Protein and the Significance of the Mg2+ Ion ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Int. J. Mol. Sci.' _Citation.Journal_name_full 'International journal of molecular sciences' _Citation.Journal_volume 24 _Citation.Journal_issue 15 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1422-0067 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 12101 _Citation.Page_last 12101 _Citation.Year 2023 _Citation.Details 'Special Issue "NMR Tools and Their Application for Structural Biology of Bioactive Proteins".' 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 Marton Gadanecz . . . . 52009 1 2 Zsolt Fazekas . . . . 52009 1 3 Gyula Palfy . . . . 52009 1 4 Dora Menyhard . K. . . 52009 1 5 Andras Perczel . . . . 52009 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52009 _Assembly.ID 1 _Assembly.Name KRAS-G12C/GDP _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 1 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 KRAS-G12C 1 $entity_1 . . yes native no no . . . 52009 1 2 GDP 2 $entity_GDP . . no native no no . . . 52009 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52009 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MTEYKLVVVGACGVGKSALT IQLIQNHFVDEYDPTIEDSY RKQVVIDGETCLLDILDTAG QEEYSAMRDQYMRTGEGFLC VFAINNTKSFEDIHHYREQI KRVKDSEDVPMVLVGNKCDL PSRTVDTKQAQDLARSYGIP FIETSAKTRQGVDDAFYTLV REIRKHKEK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 169 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P01116 . RASK_HUMAN . . . . . . . . . . . . . . 52009 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 . 52009 1 2 . THR . 52009 1 3 . GLU . 52009 1 4 . TYR . 52009 1 5 . LYS . 52009 1 6 . LEU . 52009 1 7 . VAL . 52009 1 8 . VAL . 52009 1 9 . VAL . 52009 1 10 . GLY . 52009 1 11 . ALA . 52009 1 12 . CYS . 52009 1 13 . GLY . 52009 1 14 . VAL . 52009 1 15 . GLY . 52009 1 16 . LYS . 52009 1 17 . SER . 52009 1 18 . ALA . 52009 1 19 . LEU . 52009 1 20 . THR . 52009 1 21 . ILE . 52009 1 22 . GLN . 52009 1 23 . LEU . 52009 1 24 . ILE . 52009 1 25 . GLN . 52009 1 26 . ASN . 52009 1 27 . HIS . 52009 1 28 . PHE . 52009 1 29 . VAL . 52009 1 30 . ASP . 52009 1 31 . GLU . 52009 1 32 . TYR . 52009 1 33 . ASP . 52009 1 34 . PRO . 52009 1 35 . THR . 52009 1 36 . ILE . 52009 1 37 . GLU . 52009 1 38 . ASP . 52009 1 39 . SER . 52009 1 40 . TYR . 52009 1 41 . ARG . 52009 1 42 . LYS . 52009 1 43 . GLN . 52009 1 44 . VAL . 52009 1 45 . VAL . 52009 1 46 . ILE . 52009 1 47 . ASP . 52009 1 48 . GLY . 52009 1 49 . GLU . 52009 1 50 . THR . 52009 1 51 . CYS . 52009 1 52 . LEU . 52009 1 53 . LEU . 52009 1 54 . ASP . 52009 1 55 . ILE . 52009 1 56 . LEU . 52009 1 57 . ASP . 52009 1 58 . THR . 52009 1 59 . ALA . 52009 1 60 . GLY . 52009 1 61 . GLN . 52009 1 62 . GLU . 52009 1 63 . GLU . 52009 1 64 . TYR . 52009 1 65 . SER . 52009 1 66 . ALA . 52009 1 67 . MET . 52009 1 68 . ARG . 52009 1 69 . ASP . 52009 1 70 . GLN . 52009 1 71 . TYR . 52009 1 72 . MET . 52009 1 73 . ARG . 52009 1 74 . THR . 52009 1 75 . GLY . 52009 1 76 . GLU . 52009 1 77 . GLY . 52009 1 78 . PHE . 52009 1 79 . LEU . 52009 1 80 . CYS . 52009 1 81 . VAL . 52009 1 82 . PHE . 52009 1 83 . ALA . 52009 1 84 . ILE . 52009 1 85 . ASN . 52009 1 86 . ASN . 52009 1 87 . THR . 52009 1 88 . LYS . 52009 1 89 . SER . 52009 1 90 . PHE . 52009 1 91 . GLU . 52009 1 92 . ASP . 52009 1 93 . ILE . 52009 1 94 . HIS . 52009 1 95 . HIS . 52009 1 96 . TYR . 52009 1 97 . ARG . 52009 1 98 . GLU . 52009 1 99 . GLN . 52009 1 100 . ILE . 52009 1 101 . LYS . 52009 1 102 . ARG . 52009 1 103 . VAL . 52009 1 104 . LYS . 52009 1 105 . ASP . 52009 1 106 . SER . 52009 1 107 . GLU . 52009 1 108 . ASP . 52009 1 109 . VAL . 52009 1 110 . PRO . 52009 1 111 . MET . 52009 1 112 . VAL . 52009 1 113 . LEU . 52009 1 114 . VAL . 52009 1 115 . GLY . 52009 1 116 . ASN . 52009 1 117 . LYS . 52009 1 118 . CYS . 52009 1 119 . ASP . 52009 1 120 . LEU . 52009 1 121 . PRO . 52009 1 122 . SER . 52009 1 123 . ARG . 52009 1 124 . THR . 52009 1 125 . VAL . 52009 1 126 . ASP . 52009 1 127 . THR . 52009 1 128 . LYS . 52009 1 129 . GLN . 52009 1 130 . ALA . 52009 1 131 . GLN . 52009 1 132 . ASP . 52009 1 133 . LEU . 52009 1 134 . ALA . 52009 1 135 . ARG . 52009 1 136 . SER . 52009 1 137 . TYR . 52009 1 138 . GLY . 52009 1 139 . ILE . 52009 1 140 . PRO . 52009 1 141 . PHE . 52009 1 142 . ILE . 52009 1 143 . GLU . 52009 1 144 . THR . 52009 1 145 . SER . 52009 1 146 . ALA . 52009 1 147 . LYS . 52009 1 148 . THR . 52009 1 149 . ARG . 52009 1 150 . GLN . 52009 1 151 . GLY . 52009 1 152 . VAL . 52009 1 153 . ASP . 52009 1 154 . ASP . 52009 1 155 . ALA . 52009 1 156 . PHE . 52009 1 157 . TYR . 52009 1 158 . THR . 52009 1 159 . LEU . 52009 1 160 . VAL . 52009 1 161 . ARG . 52009 1 162 . GLU . 52009 1 163 . ILE . 52009 1 164 . ARG . 52009 1 165 . LYS . 52009 1 166 . HIS . 52009 1 167 . LYS . 52009 1 168 . GLU . 52009 1 169 . LYS . 52009 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 52009 1 . THR 2 2 52009 1 . GLU 3 3 52009 1 . TYR 4 4 52009 1 . LYS 5 5 52009 1 . LEU 6 6 52009 1 . VAL 7 7 52009 1 . VAL 8 8 52009 1 . VAL 9 9 52009 1 . GLY 10 10 52009 1 . ALA 11 11 52009 1 . CYS 12 12 52009 1 . GLY 13 13 52009 1 . VAL 14 14 52009 1 . GLY 15 15 52009 1 . LYS 16 16 52009 1 . SER 17 17 52009 1 . ALA 18 18 52009 1 . LEU 19 19 52009 1 . THR 20 20 52009 1 . ILE 21 21 52009 1 . GLN 22 22 52009 1 . LEU 23 23 52009 1 . ILE 24 24 52009 1 . GLN 25 25 52009 1 . ASN 26 26 52009 1 . HIS 27 27 52009 1 . PHE 28 28 52009 1 . VAL 29 29 52009 1 . ASP 30 30 52009 1 . GLU 31 31 52009 1 . TYR 32 32 52009 1 . ASP 33 33 52009 1 . PRO 34 34 52009 1 . THR 35 35 52009 1 . ILE 36 36 52009 1 . GLU 37 37 52009 1 . ASP 38 38 52009 1 . SER 39 39 52009 1 . TYR 40 40 52009 1 . ARG 41 41 52009 1 . LYS 42 42 52009 1 . GLN 43 43 52009 1 . VAL 44 44 52009 1 . VAL 45 45 52009 1 . ILE 46 46 52009 1 . ASP 47 47 52009 1 . GLY 48 48 52009 1 . GLU 49 49 52009 1 . THR 50 50 52009 1 . CYS 51 51 52009 1 . LEU 52 52 52009 1 . LEU 53 53 52009 1 . ASP 54 54 52009 1 . ILE 55 55 52009 1 . LEU 56 56 52009 1 . ASP 57 57 52009 1 . THR 58 58 52009 1 . ALA 59 59 52009 1 . GLY 60 60 52009 1 . GLN 61 61 52009 1 . GLU 62 62 52009 1 . GLU 63 63 52009 1 . TYR 64 64 52009 1 . SER 65 65 52009 1 . ALA 66 66 52009 1 . MET 67 67 52009 1 . ARG 68 68 52009 1 . ASP 69 69 52009 1 . GLN 70 70 52009 1 . TYR 71 71 52009 1 . MET 72 72 52009 1 . ARG 73 73 52009 1 . THR 74 74 52009 1 . GLY 75 75 52009 1 . GLU 76 76 52009 1 . GLY 77 77 52009 1 . PHE 78 78 52009 1 . LEU 79 79 52009 1 . CYS 80 80 52009 1 . VAL 81 81 52009 1 . PHE 82 82 52009 1 . ALA 83 83 52009 1 . ILE 84 84 52009 1 . ASN 85 85 52009 1 . ASN 86 86 52009 1 . THR 87 87 52009 1 . LYS 88 88 52009 1 . SER 89 89 52009 1 . PHE 90 90 52009 1 . GLU 91 91 52009 1 . ASP 92 92 52009 1 . ILE 93 93 52009 1 . HIS 94 94 52009 1 . HIS 95 95 52009 1 . TYR 96 96 52009 1 . ARG 97 97 52009 1 . GLU 98 98 52009 1 . GLN 99 99 52009 1 . ILE 100 100 52009 1 . LYS 101 101 52009 1 . ARG 102 102 52009 1 . VAL 103 103 52009 1 . LYS 104 104 52009 1 . ASP 105 105 52009 1 . SER 106 106 52009 1 . GLU 107 107 52009 1 . ASP 108 108 52009 1 . VAL 109 109 52009 1 . PRO 110 110 52009 1 . MET 111 111 52009 1 . VAL 112 112 52009 1 . LEU 113 113 52009 1 . VAL 114 114 52009 1 . GLY 115 115 52009 1 . ASN 116 116 52009 1 . LYS 117 117 52009 1 . CYS 118 118 52009 1 . ASP 119 119 52009 1 . LEU 120 120 52009 1 . PRO 121 121 52009 1 . SER 122 122 52009 1 . ARG 123 123 52009 1 . THR 124 124 52009 1 . VAL 125 125 52009 1 . ASP 126 126 52009 1 . THR 127 127 52009 1 . LYS 128 128 52009 1 . GLN 129 129 52009 1 . ALA 130 130 52009 1 . GLN 131 131 52009 1 . ASP 132 132 52009 1 . LEU 133 133 52009 1 . ALA 134 134 52009 1 . ARG 135 135 52009 1 . SER 136 136 52009 1 . TYR 137 137 52009 1 . GLY 138 138 52009 1 . ILE 139 139 52009 1 . PRO 140 140 52009 1 . PHE 141 141 52009 1 . ILE 142 142 52009 1 . GLU 143 143 52009 1 . THR 144 144 52009 1 . SER 145 145 52009 1 . ALA 146 146 52009 1 . LYS 147 147 52009 1 . THR 148 148 52009 1 . ARG 149 149 52009 1 . GLN 150 150 52009 1 . GLY 151 151 52009 1 . VAL 152 152 52009 1 . ASP 153 153 52009 1 . ASP 154 154 52009 1 . ALA 155 155 52009 1 . PHE 156 156 52009 1 . TYR 157 157 52009 1 . THR 158 158 52009 1 . LEU 159 159 52009 1 . VAL 160 160 52009 1 . ARG 161 161 52009 1 . GLU 162 162 52009 1 . ILE 163 163 52009 1 . ARG 164 164 52009 1 . LYS 165 165 52009 1 . HIS 166 166 52009 1 . LYS 167 167 52009 1 . GLU 168 168 52009 1 . LYS 169 169 52009 1 stop_ save_ save_entity_GDP _Entity.Sf_category entity _Entity.Sf_framecode entity_GDP _Entity.Entry_ID 52009 _Entity.ID 2 _Entity.BMRB_code GDP _Entity.Name entity_GDP _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 GDP _Entity.Nonpolymer_comp_label $chem_comp_GDP _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 443.201 _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 GUANOSINE-5'-DIPHOSPHATE BMRB 52009 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID GUANOSINE-5'-DIPHOSPHATE BMRB 52009 2 GDP 'Three letter code' 52009 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 GDP $chem_comp_GDP 52009 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52009 _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 . . . . . . . . . . . . . 52009 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52009 _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' . . . Escherichia coli BL21(DE3) . . plasmid . . pET-15b . . . 52009 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_GDP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_GDP _Chem_comp.Entry_ID 52009 _Chem_comp.ID GDP _Chem_comp.Provenance PDB _Chem_comp.Name GUANOSINE-5'-DIPHOSPHATE _Chem_comp.Type 'RNA LINKING' _Chem_comp.BMRB_code GDP _Chem_comp.PDB_code GDP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code G _Chem_comp.Three_letter_code GDP _Chem_comp.Number_atoms_all 43 _Chem_comp.Number_atoms_nh 28 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 ; _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID G _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C10 H15 N5 O11 P2' _Chem_comp.Formula_weight 443.201 _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 1EK0 _Chem_comp.Processing_site EBI _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 ; InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 ; InChI InChI 1.03 52009 GDP NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.385 52009 GDP NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.385 52009 GDP O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O SMILES ACDLabs 12.01 52009 GDP QGWNDRXFNXRZMB-UUOKFMHZSA-N InChIKey InChI 1.03 52009 GDP c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N SMILES 'OpenEye OEToolkits' 1.7.6 52009 GDP c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 52009 GDP 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 '[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 52009 GDP "guanosine 5'-(trihydrogen diphosphate)" 'SYSTEMATIC NAME' ACDLabs 12.01 52009 GDP 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 PB PB PB PB . P . . N 0 . . . 1 N N . . . . 13.635 . 17.027 . 28.402 . -5.743 -1.471 0.475 1 . 52009 GDP O1B O1B O1B O1B . O . . N 0 . . . 1 N N . . . . 14.317 . 18.299 . 28.131 . -6.829 -0.831 -0.300 2 . 52009 GDP O2B O2B O2B O2B . O . . N 0 . . . 1 N N . . . . 14.465 . 15.868 . 28.851 . -6.293 -1.885 1.930 3 . 52009 GDP O3B O3B O3B O3B . O . . N 0 . . . 1 N N . . . . 12.657 . 17.014 . 29.609 . -5.234 -2.787 -0.301 4 . 52009 GDP O3A O3A O3A O3A . O . . N 0 . . . 1 N N . . . . 13.031 . 16.438 . 26.904 . -4.519 -0.438 0.638 5 . 52009 GDP PA PA PA PA . P . . N 0 . . . 1 N N . . . . 12.164 . 17.382 . 25.843 . -3.821 0.633 -0.340 6 . 52009 GDP O1A O1A O1A O1A . O . . N 0 . . . 1 N N . . . . 11.308 . 16.310 . 25.239 . -3.718 0.063 -1.702 7 . 52009 GDP O2A O2A O2A O2A . O . . N 0 . . . 1 N N . . . . 11.654 . 18.737 . 26.082 . -4.708 1.976 -0.386 8 . 52009 GDP O5' O5' O5' O5' . O . . N 0 . . . 1 N N . . . . 13.417 . 17.470 . 24.852 . -2.348 0.981 0.208 9 . 52009 GDP C5' C5' C5' C5' . C . . N 0 . . . 1 N N . . . . 14.543 . 18.324 . 25.037 . -1.434 1.823 -0.497 10 . 52009 GDP C4' C4' C4' C4' . C . . R 0 . . . 1 N N . . . . 15.043 . 18.710 . 23.648 . -0.133 1.943 0.299 11 . 52009 GDP O4' O4' O4' O4' . O . . N 0 . . . 1 N N . . . . 15.183 . 17.536 . 22.793 . 0.533 0.670 0.344 12 . 52009 GDP C3' C3' C3' C3' . C . . S 0 . . . 1 N N . . . . 13.926 . 19.400 . 22.829 . 0.820 2.933 -0.399 13 . 52009 GDP O3' O3' O3' O3' . O . . N 0 . . . 1 N N . . . . 14.002 . 20.787 . 23.226 . 1.125 4.028 0.467 14 . 52009 GDP C2' C2' C2' C2' . C . . R 0 . . . 1 N N . . . . 14.511 . 19.303 . 21.406 . 2.091 2.098 -0.686 15 . 52009 GDP O2' O2' O2' O2' . O . . N 0 . . . 1 N N . . . . 15.627 . 20.165 . 21.220 . 3.271 2.861 -0.428 16 . 52009 GDP C1' C1' C1' C1' . C . . R 0 . . . 1 N N . . . . 15.015 . 17.874 . 21.438 . 1.952 0.935 0.329 17 . 52009 GDP N9 N9 N9 N9 . N . . N 0 . . . 1 Y N . . . . 13.968 . 16.928 . 20.922 . 2.691 -0.243 -0.132 18 . 52009 GDP C8 C8 C8 C8 . C . . N 0 . . . 1 Y N . . . . 13.129 . 16.056 . 21.555 . 2.200 -1.252 -0.908 19 . 52009 GDP N7 N7 N7 N7 . N . . N 0 . . . 1 Y N . . . . 12.358 . 15.405 . 20.737 . 3.131 -2.134 -1.125 20 . 52009 GDP C5 C5 C5 C5 . C . . N 0 . . . 1 Y N . . . . 12.701 . 15.869 . 19.474 . 4.272 -1.746 -0.504 21 . 52009 GDP C6 C6 C6 C6 . C . . N 0 . . . 1 N N . . . . 12.214 . 15.545 . 18.183 . 5.571 -2.295 -0.396 22 . 52009 GDP O6 O6 O6 O6 . O . . N 0 . . . 1 N N . . . . 11.326 . 14.728 . 17.882 . 5.850 -3.350 -0.939 23 . 52009 GDP N1 N1 N1 N1 . N . . N 0 . . . 1 N N . . . . 12.870 . 16.282 . 17.187 . 6.495 -1.620 0.324 24 . 52009 GDP C2 C2 C2 C2 . C . . N 0 . . . 1 N N . . . . 13.858 . 17.205 . 17.402 . 6.171 -0.441 0.927 25 . 52009 GDP N2 N2 N2 N2 . N . . N 0 . . . 1 N N . . . . 14.348 . 17.795 . 16.316 . 7.130 0.222 1.651 26 . 52009 GDP N3 N3 N3 N3 . N . . N 0 . . . 1 N N . . . . 14.329 . 17.524 . 18.614 . 4.968 0.079 0.834 27 . 52009 GDP C4 C4 C4 C4 . C . . N 0 . . . 1 Y N . . . . 13.701 . 16.819 . 19.565 . 4.003 -0.529 0.133 28 . 52009 GDP HOB2 HOB2 HOB2 HOB2 . H . . N 0 . . . 0 N N . . . . 15.376 . 16.131 . 28.902 . -7.033 -2.508 1.908 29 . 52009 GDP HOB3 HOB3 HOB3 HOB3 . H . . N 0 . . . 0 N N . . . . 12.643 . 17.873 . 30.015 . -4.521 -3.259 0.151 30 . 52009 GDP HOA2 HOA2 HOA2 HOA2 . H . . N 0 . . . 0 N N . . . . 10.749 . 18.789 . 25.799 . -4.818 2.404 0.474 31 . 52009 GDP H5' H5' H5' H5'1 . H . . N 0 . . . 1 N N . . . . 14.247 . 19.224 . 25.596 . -1.222 1.390 -1.475 32 . 52009 GDP H5'' H5'' H5'' H5'2 . H . . N 0 . . . 0 N N . . . . 15.333 . 17.793 . 25.589 . -1.874 2.811 -0.625 33 . 52009 GDP H4' H4' H4' H4' . H . . N 0 . . . 1 N N . . . . 15.955 . 19.324 . 23.692 . -0.349 2.285 1.312 34 . 52009 GDP H3' H3' H3' H3' . H . . N 0 . . . 1 N N . . . . 12.939 . 18.927 . 22.938 . 0.380 3.294 -1.329 35 . 52009 GDP HO3' HO3' HO3' HO3' . H . . N 0 . . . 0 N Y . . . . 13.340 . 21.286 . 22.762 . 1.722 4.683 0.078 36 . 52009 GDP H2' H2' H2' H2' . H . . N 0 . . . 1 N N . . . . 13.729 . 19.439 . 20.644 . 2.088 1.724 -1.710 37 . 52009 GDP HO2' HO2' HO2' HO2' . H . . N 0 . . . 0 N N . . . . 15.954 . 20.073 . 20.333 . 3.357 3.652 -0.979 38 . 52009 GDP H1' H1' H1' H1' . H . . N 0 . . . 1 N N . . . . 15.948 . 17.778 . 20.863 . 2.295 1.244 1.316 39 . 52009 GDP H8 H8 H8 H8 . H . . N 0 . . . 1 N N . . . . 13.109 . 15.921 . 22.626 . 1.190 -1.310 -1.285 40 . 52009 GDP HN1 HN1 HN1 HN1 . H . . N 0 . . . 1 N N . . . . 12.593 . 16.120 . 16.240 . 7.392 -1.977 0.412 41 . 52009 GDP HN21 HN21 HN21 HN21 . H . . N 0 . . . 0 N N . . . . 15.071 . 18.480 . 16.402 . 8.023 -0.150 1.728 42 . 52009 GDP HN22 HN22 HN22 HN22 . H . . N 0 . . . 0 N N . . . . 13.993 . 17.554 . 15.413 . 6.915 1.062 2.086 43 . 52009 GDP 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 . DOUB PB O1B N N 1 . 52009 GDP 2 . SING PB O2B N N 2 . 52009 GDP 3 . SING PB O3B N N 3 . 52009 GDP 4 . SING PB O3A N N 4 . 52009 GDP 5 . SING O2B HOB2 N N 5 . 52009 GDP 6 . SING O3B HOB3 N N 6 . 52009 GDP 7 . SING O3A PA N N 7 . 52009 GDP 8 . DOUB PA O1A N N 8 . 52009 GDP 9 . SING PA O2A N N 9 . 52009 GDP 10 . SING PA O5' N N 10 . 52009 GDP 11 . SING O2A HOA2 N N 11 . 52009 GDP 12 . SING O5' C5' N N 12 . 52009 GDP 13 . SING C5' C4' N N 13 . 52009 GDP 14 . SING C5' H5' N N 14 . 52009 GDP 15 . SING C5' H5'' N N 15 . 52009 GDP 16 . SING C4' O4' N N 16 . 52009 GDP 17 . SING C4' C3' N N 17 . 52009 GDP 18 . SING C4' H4' N N 18 . 52009 GDP 19 . SING O4' C1' N N 19 . 52009 GDP 20 . SING C3' O3' N N 20 . 52009 GDP 21 . SING C3' C2' N N 21 . 52009 GDP 22 . SING C3' H3' N N 22 . 52009 GDP 23 . SING O3' HO3' N N 23 . 52009 GDP 24 . SING C2' O2' N N 24 . 52009 GDP 25 . SING C2' C1' N N 25 . 52009 GDP 26 . SING C2' H2' N N 26 . 52009 GDP 27 . SING O2' HO2' N N 27 . 52009 GDP 28 . SING C1' N9 N N 28 . 52009 GDP 29 . SING C1' H1' N N 29 . 52009 GDP 30 . SING N9 C8 Y N 30 . 52009 GDP 31 . SING N9 C4 Y N 31 . 52009 GDP 32 . DOUB C8 N7 Y N 32 . 52009 GDP 33 . SING C8 H8 N N 33 . 52009 GDP 34 . SING N7 C5 Y N 34 . 52009 GDP 35 . SING C5 C6 N N 35 . 52009 GDP 36 . DOUB C5 C4 Y N 36 . 52009 GDP 37 . DOUB C6 O6 N N 37 . 52009 GDP 38 . SING C6 N1 N N 38 . 52009 GDP 39 . SING N1 C2 N N 39 . 52009 GDP 40 . SING N1 HN1 N N 40 . 52009 GDP 41 . SING C2 N2 N N 41 . 52009 GDP 42 . DOUB C2 N3 N N 42 . 52009 GDP 43 . SING N2 HN21 N N 43 . 52009 GDP 44 . SING N2 HN22 N N 44 . 52009 GDP 45 . SING N3 C4 N N 45 . 52009 GDP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52009 _Sample.ID 1 _Sample.Name sample_1-2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '93% H2O/7% 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 'KRas4b G12C(1-169)' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.85 0.8 0.9 mM . . . . 52009 1 2 D2O '[U-100% 15N]' . . . . . . 7 . . % . . . . 52009 1 3 DSS 'natural abundance' . . . . . . 1 . . % . . . . 52009 1 4 EDTA 'natural abundance' . . . . . . 10 . . mM . . . . 52009 1 5 'sodium chloride' 'natural abundance' . . . . . . 140 . . mM . . . . 52009 1 6 'potassium chloride' 'natural abundance' . . . . . . 2.7 . . mM . . . . 52009 1 7 Na2HPO4 'natural abundance' . . . . . . 10 . . mM . . . . 52009 1 8 KH2PO4 'natural abundance' . . . . . . 1.8 . . mM . . . . 52009 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 52009 _Sample_condition_list.ID 1 _Sample_condition_list.Name sample_1-2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 52009 1 pH 7.4 . pH 52009 1 pressure 1 . atm 52009 1 temperature 298 . K 52009 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52009 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52009 1 'peak picking' . 52009 1 processing . 52009 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52009 _Software.ID 2 _Software.Type . _Software.Name 4D-CHAINS _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52009 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52009 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52009 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 52009 _Software.ID 4 _Software.Type . _Software.Name CS-Rosetta _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure solution' . 52009 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 52009 _Software.ID 5 _Software.Type . _Software.Name GROMACS _Software.Version 2022.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 52009 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 52009 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III 700 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 52009 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker Avance III HD 700 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 52009 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name 'Bruker Avance NEO 900 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52009 _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 '4D HC(CC-TOCSY(CO))NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52009 1 2 '4D 13C, 15N-edited SOFAST-HMQC-NOESY-SOFAST-HMQC (HCNH)' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 52009 1 3 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52009 1 4 '2D 1H-13C HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52009 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 52009 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'IUPAC referencing' _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 0.00 na indirect 0.251449530 . . . . . 52009 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52009 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52009 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 52009 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name chem_shift_list_1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '4D HC(CC-TOCSY(CO))NH' . . . 52009 1 2 '4D 13C, 15N-edited SOFAST-HMQC-NOESY-SOFAST-HMQC (HCNH)' . . . 52009 1 3 '2D 1H-15N HSQC' . . . 52009 1 4 '2D 1H-13C HSQC' . . . 52009 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 52009 1 3 $software_3 . . 52009 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET HA H 1 4.485 . . . . . . . . 1 MET HA . 52009 1 2 . 1 . 1 1 1 MET HB2 H 1 1.859 . . . . . . . . 1 MET QB . 52009 1 3 . 1 . 1 1 1 MET HB3 H 1 1.859 . . . . . . . . 1 MET QB . 52009 1 4 . 1 . 1 1 1 MET HG2 H 1 2.268 . . . . . . . . 1 MET QG . 52009 1 5 . 1 . 1 1 1 MET HG3 H 1 2.268 . . . . . . . . 1 MET QG . 52009 1 6 . 1 . 1 1 1 MET CA C 13 55.201 . . . . . . . . 1 MET CA . 52009 1 7 . 1 . 1 1 1 MET CB C 13 34.108 . . . . . . . . 1 MET CB . 52009 1 8 . 1 . 1 1 1 MET CG C 13 31.334 . . . . . . . . 1 MET CG . 52009 1 9 . 1 . 1 2 2 THR H H 1 8.558 . . . . . . . . 2 THR H . 52009 1 10 . 1 . 1 2 2 THR HA H 1 4.021 . . . . . . . . 2 THR HA . 52009 1 11 . 1 . 1 2 2 THR HB H 1 3.858 . . . . . . . . 2 THR HB . 52009 1 12 . 1 . 1 2 2 THR HG21 H 1 0.726 . . . . . . . . 2 THR QG2 . 52009 1 13 . 1 . 1 2 2 THR HG22 H 1 0.726 . . . . . . . . 2 THR QG2 . 52009 1 14 . 1 . 1 2 2 THR HG23 H 1 0.726 . . . . . . . . 2 THR QG2 . 52009 1 15 . 1 . 1 2 2 THR CA C 13 63.398 . . . . . . . . 2 THR CA . 52009 1 16 . 1 . 1 2 2 THR CB C 13 69.475 . . . . . . . . 2 THR CB . 52009 1 17 . 1 . 1 2 2 THR CG2 C 13 21.976 . . . . . . . . 2 THR CG2 . 52009 1 18 . 1 . 1 2 2 THR N N 15 122.634 . . . . . . . . 2 THR N . 52009 1 19 . 1 . 1 3 3 GLU H H 1 8.359 . . . . . . . . 3 GLU H . 52009 1 20 . 1 . 1 3 3 GLU HA H 1 5.187 . . . . . . . . 3 GLU HA . 52009 1 21 . 1 . 1 3 3 GLU HB2 H 1 1.815 . . . . . . . . 3 GLU HB2 . 52009 1 22 . 1 . 1 3 3 GLU HG2 H 1 2.001 . . . . . . . . 3 GLU HG2 . 52009 1 23 . 1 . 1 3 3 GLU HG3 H 1 2.208 . . . . . . . . 3 GLU HG3 . 52009 1 24 . 1 . 1 3 3 GLU CA C 13 54.245 . . . . . . . . 3 GLU CA . 52009 1 25 . 1 . 1 3 3 GLU CB C 13 31.82 . . . . . . . . 3 GLU CB . 52009 1 26 . 1 . 1 3 3 GLU CG C 13 36.574 . . . . . . . . 3 GLU CG . 52009 1 27 . 1 . 1 3 3 GLU N N 15 126.577 . . . . . . . . 3 GLU N . 52009 1 28 . 1 . 1 4 4 TYR H H 1 8.812 . . . . . . . . 4 TYR H . 52009 1 29 . 1 . 1 4 4 TYR HA H 1 5.082 . . . . . . . . 4 TYR HA . 52009 1 30 . 1 . 1 4 4 TYR HB2 H 1 2.638 . . . . . . . . 4 TYR HB2 . 52009 1 31 . 1 . 1 4 4 TYR CA C 13 56.786 . . . . . . . . 4 TYR CA . 52009 1 32 . 1 . 1 4 4 TYR CB C 13 41.665 . . . . . . . . 4 TYR CB . 52009 1 33 . 1 . 1 4 4 TYR N N 15 122.047 . . . . . . . . 4 TYR N . 52009 1 34 . 1 . 1 5 5 LYS H H 1 9.136 . . . . . . . . 5 LYS H . 52009 1 35 . 1 . 1 5 5 LYS HA H 1 5.134 . . . . . . . . 5 LYS HA . 52009 1 36 . 1 . 1 5 5 LYS HB2 H 1 1.682 . . . . . . . . 5 LYS HB2 . 52009 1 37 . 1 . 1 5 5 LYS HB3 H 1 2.001 . . . . . . . . 5 LYS HB3 . 52009 1 38 . 1 . 1 5 5 LYS HG2 H 1 1.47 . . . . . . . . 5 LYS HG2 . 52009 1 39 . 1 . 1 5 5 LYS HD2 H 1 1.617 . . . . . . . . 5 LYS HD2 . 52009 1 40 . 1 . 1 5 5 LYS CA C 13 55.064 . . . . . . . . 5 LYS CA . 52009 1 41 . 1 . 1 5 5 LYS CB C 13 32.641 . . . . . . . . 5 LYS CB . 52009 1 42 . 1 . 1 5 5 LYS CG C 13 24.71 . . . . . . . . 5 LYS CG . 52009 1 43 . 1 . 1 5 5 LYS CD C 13 29.378 . . . . . . . . 5 LYS CD . 52009 1 44 . 1 . 1 5 5 LYS N N 15 123.751 . . . . . . . . 5 LYS N . 52009 1 45 . 1 . 1 6 6 LEU H H 1 9.143 . . . . . . . . 6 LEU H . 52009 1 46 . 1 . 1 6 6 LEU HB2 H 1 1.842 . . . . . . . . 6 LEU HB2 . 52009 1 47 . 1 . 1 6 6 LEU HG H 1 1.418 . . . . . . . . 6 LEU HG . 52009 1 48 . 1 . 1 6 6 LEU HD11 H 1 1.709 . . . . . . . . 6 LEU QD1 . 52009 1 49 . 1 . 1 6 6 LEU HD12 H 1 1.709 . . . . . . . . 6 LEU QD1 . 52009 1 50 . 1 . 1 6 6 LEU HD13 H 1 1.709 . . . . . . . . 6 LEU QD1 . 52009 1 51 . 1 . 1 6 6 LEU CB C 13 43.579 . . . . . . . . 6 LEU CB . 52009 1 52 . 1 . 1 6 6 LEU CG C 13 24.486 . . . . . . . . 6 LEU CG . 52009 1 53 . 1 . 1 6 6 LEU CD1 C 13 27.171 . . . . . . . . 6 LEU CD1 . 52009 1 54 . 1 . 1 6 6 LEU N N 15 125.831 . . . . . . . . 6 LEU N . 52009 1 55 . 1 . 1 7 7 VAL H H 1 7.854 . . . . . . . . 7 VAL H . 52009 1 56 . 1 . 1 7 7 VAL HA H 1 4.683 . . . . . . . . 7 VAL HA . 52009 1 57 . 1 . 1 7 7 VAL HB H 1 1.682 . . . . . . . . 7 VAL HB . 52009 1 58 . 1 . 1 7 7 VAL HG11 H 1 0.993 . . . . . . . . 7 VAL QG1 . 52009 1 59 . 1 . 1 7 7 VAL HG12 H 1 0.993 . . . . . . . . 7 VAL QG1 . 52009 1 60 . 1 . 1 7 7 VAL HG13 H 1 0.993 . . . . . . . . 7 VAL QG1 . 52009 1 61 . 1 . 1 7 7 VAL HG21 H 1 0.7 . . . . . . . . 7 VAL QG2 . 52009 1 62 . 1 . 1 7 7 VAL HG22 H 1 0.7 . . . . . . . . 7 VAL QG2 . 52009 1 63 . 1 . 1 7 7 VAL HG23 H 1 0.7 . . . . . . . . 7 VAL QG2 . 52009 1 64 . 1 . 1 7 7 VAL CA C 13 60.26 . . . . . . . . 7 VAL CA . 52009 1 65 . 1 . 1 7 7 VAL CB C 13 34.281 . . . . . . . . 7 VAL CB . 52009 1 66 . 1 . 1 7 7 VAL CG1 C 13 22.021 . . . . . . . . 7 VAL CG1 . 52009 1 67 . 1 . 1 7 7 VAL CG2 C 13 22.523 . . . . . . . . 7 VAL CG2 . 52009 1 68 . 1 . 1 7 7 VAL N N 15 120.345 . . . . . . . . 7 VAL N . 52009 1 69 . 1 . 1 8 8 VAL H H 1 9.058 . . . . . . . . 8 VAL H . 52009 1 70 . 1 . 1 8 8 VAL HA H 1 4.676 . . . . . . . . 8 VAL HA . 52009 1 71 . 1 . 1 8 8 VAL HB H 1 2.107 . . . . . . . . 8 VAL HB . 52009 1 72 . 1 . 1 8 8 VAL HG11 H 1 0.886 . . . . . . . . 8 VAL QG1 . 52009 1 73 . 1 . 1 8 8 VAL HG12 H 1 0.886 . . . . . . . . 8 VAL QG1 . 52009 1 74 . 1 . 1 8 8 VAL HG13 H 1 0.886 . . . . . . . . 8 VAL QG1 . 52009 1 75 . 1 . 1 8 8 VAL HG21 H 1 0.912 . . . . . . . . 8 VAL QG2 . 52009 1 76 . 1 . 1 8 8 VAL HG22 H 1 0.912 . . . . . . . . 8 VAL QG2 . 52009 1 77 . 1 . 1 8 8 VAL HG23 H 1 0.912 . . . . . . . . 8 VAL QG2 . 52009 1 78 . 1 . 1 8 8 VAL CA C 13 61.36 . . . . . . . . 8 VAL CA . 52009 1 79 . 1 . 1 8 8 VAL CB C 13 32.367 . . . . . . . . 8 VAL CB . 52009 1 80 . 1 . 1 8 8 VAL CG1 C 13 22.568 . . . . . . . . 8 VAL CG1 . 52009 1 81 . 1 . 1 8 8 VAL CG2 C 13 20.608 . . . . . . . . 8 VAL CG2 . 52009 1 82 . 1 . 1 8 8 VAL N N 15 128.953 . . . . . . . . 8 VAL N . 52009 1 83 . 1 . 1 9 9 VAL H H 1 9.189 . . . . . . . . 9 VAL H . 52009 1 84 . 1 . 1 9 9 VAL HA H 1 4.816 . . . . . . . . 9 VAL HA . 52009 1 85 . 1 . 1 9 9 VAL HB H 1 2.001 . . . . . . . . 9 VAL HB . 52009 1 86 . 1 . 1 9 9 VAL HG11 H 1 0.939 . . . . . . . . 9 VAL QG1 . 52009 1 87 . 1 . 1 9 9 VAL HG12 H 1 0.939 . . . . . . . . 9 VAL QG1 . 52009 1 88 . 1 . 1 9 9 VAL HG13 H 1 0.939 . . . . . . . . 9 VAL QG1 . 52009 1 89 . 1 . 1 9 9 VAL HG21 H 1 0.886 . . . . . . . . 9 VAL QG2 . 52009 1 90 . 1 . 1 9 9 VAL HG22 H 1 0.886 . . . . . . . . 9 VAL QG2 . 52009 1 91 . 1 . 1 9 9 VAL HG23 H 1 0.886 . . . . . . . . 9 VAL QG2 . 52009 1 92 . 1 . 1 9 9 VAL CA C 13 59.166 . . . . . . . . 9 VAL CA . 52009 1 93 . 1 . 1 9 9 VAL CB C 13 35.375 . . . . . . . . 9 VAL CB . 52009 1 94 . 1 . 1 9 9 VAL CG1 C 13 22.021 . . . . . . . . 9 VAL CG1 . 52009 1 95 . 1 . 1 9 9 VAL CG2 C 13 21.429 . . . . . . . . 9 VAL CG2 . 52009 1 96 . 1 . 1 9 9 VAL N N 15 121.393 . . . . . . . . 9 VAL N . 52009 1 97 . 1 . 1 10 10 GLY H H 1 7.264 . . . . . . . . 10 GLY H . 52009 1 98 . 1 . 1 10 10 GLY HA2 H 1 3.037 . . . . . . . . 10 GLY HA2 . 52009 1 99 . 1 . 1 10 10 GLY HA3 H 1 4.63 . . . . . . . . 10 GLY HA3 . 52009 1 100 . 1 . 1 10 10 GLY CA C 13 43.989 . . . . . . . . 10 GLY CA . 52009 1 101 . 1 . 1 10 10 GLY N N 15 108.342 . . . . . . . . 10 GLY N . 52009 1 102 . 1 . 1 11 11 ALA H H 1 9.173 . . . . . . . . 11 ALA H . 52009 1 103 . 1 . 1 11 11 ALA HA H 1 4.524 . . . . . . . . 11 ALA HA . 52009 1 104 . 1 . 1 11 11 ALA HB1 H 1 1.629 . . . . . . . . 11 ALA HB# . 52009 1 105 . 1 . 1 11 11 ALA HB2 H 1 1.629 . . . . . . . . 11 ALA HB# . 52009 1 106 . 1 . 1 11 11 ALA HB3 H 1 1.629 . . . . . . . . 11 ALA HB# . 52009 1 107 . 1 . 1 11 11 ALA CA C 13 52.603 . . . . . . . . 11 ALA CA . 52009 1 108 . 1 . 1 11 11 ALA CB C 13 19.241 . . . . . . . . 11 ALA CB . 52009 1 109 . 1 . 1 11 11 ALA N N 15 123.362 . . . . . . . . 11 ALA N . 52009 1 110 . 1 . 1 12 12 CYS H H 1 8.675 . . . . . . . . 12 CYS H . 52009 1 111 . 1 . 1 12 12 CYS HA H 1 4.258 . . . . . . . . 12 CYS HA . 52009 1 112 . 1 . 1 12 12 CYS HB2 H 1 2.93 . . . . . . . . 12 CYS HB2 . 52009 1 113 . 1 . 1 12 12 CYS CA C 13 61.08 . . . . . . . . 12 CYS CA . 52009 1 114 . 1 . 1 12 12 CYS CB C 13 26.898 . . . . . . . . 12 CYS CB . 52009 1 115 . 1 . 1 12 12 CYS N N 15 119.542 . . . . . . . . 12 CYS N . 52009 1 116 . 1 . 1 13 13 GLY H H 1 10.698 . . . . . . . . 13 GLY H . 52009 1 117 . 1 . 1 13 13 GLY HA2 H 1 3.993 . . . . . . . . 13 GLY HA2 . 52009 1 118 . 1 . 1 13 13 GLY HA3 H 1 4.232 . . . . . . . . 13 GLY HA3 . 52009 1 119 . 1 . 1 13 13 GLY CA C 13 46.314 . . . . . . . . 13 GLY CA . 52009 1 120 . 1 . 1 13 13 GLY N N 15 117.396 . . . . . . . . 13 GLY N . 52009 1 121 . 1 . 1 14 14 VAL H H 1 7.794 . . . . . . . . 14 VAL H . 52009 1 122 . 1 . 1 14 14 VAL HA H 1 4.125 . . . . . . . . 14 VAL HA . 52009 1 123 . 1 . 1 14 14 VAL HB H 1 2.1 . . . . . . . . 14 VAL HB . 52009 1 124 . 1 . 1 14 14 VAL HG11 H 1 1.178 . . . . . . . . 14 VAL QG1 . 52009 1 125 . 1 . 1 14 14 VAL HG12 H 1 1.178 . . . . . . . . 14 VAL QG1 . 52009 1 126 . 1 . 1 14 14 VAL HG13 H 1 1.178 . . . . . . . . 14 VAL QG1 . 52009 1 127 . 1 . 1 14 14 VAL HG21 H 1 0.965 . . . . . . . . 14 VAL QG2 . 52009 1 128 . 1 . 1 14 14 VAL HG22 H 1 0.965 . . . . . . . . 14 VAL QG2 . 52009 1 129 . 1 . 1 14 14 VAL HG23 H 1 0.965 . . . . . . . . 14 VAL QG2 . 52009 1 130 . 1 . 1 14 14 VAL CA C 13 62.721 . . . . . . . . 14 VAL CA . 52009 1 131 . 1 . 1 14 14 VAL CB C 13 32.178 . . . . . . . . 14 VAL CB . 52009 1 132 . 1 . 1 14 14 VAL CG1 C 13 22.249 . . . . . . . . 14 VAL CG1 . 52009 1 133 . 1 . 1 14 14 VAL CG2 C 13 17.874 . . . . . . . . 14 VAL CG2 . 52009 1 134 . 1 . 1 14 14 VAL N N 15 113.651 . . . . . . . . 14 VAL N . 52009 1 135 . 1 . 1 15 15 GLY H H 1 8.681 . . . . . . . . 15 GLY H . 52009 1 136 . 1 . 1 15 15 GLY HA2 H 1 4.258 . . . . . . . . 15 GLY HA2 . 52009 1 137 . 1 . 1 15 15 GLY HA3 H 1 4.656 . . . . . . . . 15 GLY HA3 . 52009 1 138 . 1 . 1 15 15 GLY CA C 13 46.314 . . . . . . . . 15 GLY CA . 52009 1 139 . 1 . 1 15 15 GLY N N 15 109.85 . . . . . . . . 15 GLY N . 52009 1 140 . 1 . 1 16 16 LYS H H 1 10.676 . . . . . . . . 16 LYS H . 52009 1 141 . 1 . 1 16 16 LYS HA H 1 3.621 . . . . . . . . 16 LYS HA . 52009 1 142 . 1 . 1 16 16 LYS HB2 H 1 2.372 . . . . . . . . 16 LYS HB2 . 52009 1 143 . 1 . 1 16 16 LYS HG2 H 1 0.859 . . . . . . . . 16 LYS HG2 . 52009 1 144 . 1 . 1 16 16 LYS CA C 13 60.807 . . . . . . . . 16 LYS CA . 52009 1 145 . 1 . 1 16 16 LYS CB C 13 29.743 . . . . . . . . 16 LYS CB . 52009 1 146 . 1 . 1 16 16 LYS CG C 13 23.343 . . . . . . . . 16 LYS CG . 52009 1 147 . 1 . 1 16 16 LYS N N 15 124.88 . . . . . . . . 16 LYS N . 52009 1 148 . 1 . 1 17 17 SER H H 1 9.917 . . . . . . . . 17 SER H . 52009 1 149 . 1 . 1 17 17 SER HA H 1 4.191 . . . . . . . . 17 SER HA . 52009 1 150 . 1 . 1 17 17 SER HB2 H 1 3.863 . . . . . . . . 17 SER QB . 52009 1 151 . 1 . 1 17 17 SER HB3 H 1 3.863 . . . . . . . . 17 SER QB . 52009 1 152 . 1 . 1 17 17 SER CA C 13 62.067 . . . . . . . . 17 SER CA . 52009 1 153 . 1 . 1 17 17 SER CB C 13 62.26 . . . . . . . . 17 SER CB . 52009 1 154 . 1 . 1 17 17 SER N N 15 120.323 . . . . . . . . 17 SER N . 52009 1 155 . 1 . 1 18 18 ALA H H 1 9.127 . . . . . . . . 18 ALA H . 52009 1 156 . 1 . 1 18 18 ALA HA H 1 3.968 . . . . . . . . 18 ALA HA . 52009 1 157 . 1 . 1 18 18 ALA HB1 H 1 1.47 . . . . . . . . 18 ALA HB# . 52009 1 158 . 1 . 1 18 18 ALA HB2 H 1 1.47 . . . . . . . . 18 ALA HB# . 52009 1 159 . 1 . 1 18 18 ALA HB3 H 1 1.47 . . . . . . . . 18 ALA HB# . 52009 1 160 . 1 . 1 18 18 ALA CA C 13 54.891 . . . . . . . . 18 ALA CA . 52009 1 161 . 1 . 1 18 18 ALA CB C 13 18.694 . . . . . . . . 18 ALA CB . 52009 1 162 . 1 . 1 18 18 ALA N N 15 125.273 . . . . . . . . 18 ALA N . 52009 1 163 . 1 . 1 19 19 LEU H H 1 9.065 . . . . . . . . 19 LEU H . 52009 1 164 . 1 . 1 19 19 LEU HA H 1 3.886 . . . . . . . . 19 LEU HA . 52009 1 165 . 1 . 1 19 19 LEU HB2 H 1 1.311 . . . . . . . . 19 LEU HB2 . 52009 1 166 . 1 . 1 19 19 LEU HB3 H 1 2.24 . . . . . . . . 19 LEU HB3 . 52009 1 167 . 1 . 1 19 19 LEU HG H 1 1.948 . . . . . . . . 19 LEU HG . 52009 1 168 . 1 . 1 19 19 LEU HD11 H 1 0.62 . . . . . . . . 19 LEU QD1 . 52009 1 169 . 1 . 1 19 19 LEU HD12 H 1 0.62 . . . . . . . . 19 LEU QD1 . 52009 1 170 . 1 . 1 19 19 LEU HD13 H 1 0.62 . . . . . . . . 19 LEU QD1 . 52009 1 171 . 1 . 1 19 19 LEU HD21 H 1 0.806 . . . . . . . . 19 LEU QD2 . 52009 1 172 . 1 . 1 19 19 LEU HD22 H 1 0.806 . . . . . . . . 19 LEU QD2 . 52009 1 173 . 1 . 1 19 19 LEU HD23 H 1 0.806 . . . . . . . . 19 LEU QD2 . 52009 1 174 . 1 . 1 19 19 LEU CA C 13 58.893 . . . . . . . . 19 LEU CA . 52009 1 175 . 1 . 1 19 19 LEU CB C 13 43.442 . . . . . . . . 19 LEU CB . 52009 1 176 . 1 . 1 19 19 LEU CG C 13 27.445 . . . . . . . . 19 LEU CG . 52009 1 177 . 1 . 1 19 19 LEU CD1 C 13 26.625 . . . . . . . . 19 LEU CD1 . 52009 1 178 . 1 . 1 19 19 LEU CD2 C 13 24.437 . . . . . . . . 19 LEU CD2 . 52009 1 179 . 1 . 1 19 19 LEU N N 15 120.412 . . . . . . . . 19 LEU N . 52009 1 180 . 1 . 1 20 20 THR H H 1 7.624 . . . . . . . . 20 THR H . 52009 1 181 . 1 . 1 20 20 THR HA H 1 3.488 . . . . . . . . 20 THR HA . 52009 1 182 . 1 . 1 20 20 THR HB H 1 4.258 . . . . . . . . 20 THR HB . 52009 1 183 . 1 . 1 20 20 THR HG21 H 1 0.78 . . . . . . . . 20 THR QG2 . 52009 1 184 . 1 . 1 20 20 THR HG22 H 1 0.78 . . . . . . . . 20 THR QG2 . 52009 1 185 . 1 . 1 20 20 THR HG23 H 1 0.78 . . . . . . . . 20 THR QG2 . 52009 1 186 . 1 . 1 20 20 THR CA C 13 67.917 . . . . . . . . 20 THR CA . 52009 1 187 . 1 . 1 20 20 THR CB C 13 68.464 . . . . . . . . 20 THR CB . 52009 1 188 . 1 . 1 20 20 THR CG2 C 13 21.429 . . . . . . . . 20 THR CG2 . 52009 1 189 . 1 . 1 20 20 THR N N 15 116.304 . . . . . . . . 20 THR N . 52009 1 190 . 1 . 1 21 21 ILE H H 1 8.843 . . . . . . . . 21 ILE H . 52009 1 191 . 1 . 1 21 21 ILE HA H 1 3.488 . . . . . . . . 21 ILE HA . 52009 1 192 . 1 . 1 21 21 ILE HB H 1 1.868 . . . . . . . . 21 ILE HB . 52009 1 193 . 1 . 1 21 21 ILE HG12 H 1 1.125 . . . . . . . . 21 ILE HG12 . 52009 1 194 . 1 . 1 21 21 ILE HG13 H 1 1.418 . . . . . . . . 21 ILE HG13 . 52009 1 195 . 1 . 1 21 21 ILE HG21 H 1 0.726 . . . . . . . . 21 ILE QG2 . 52009 1 196 . 1 . 1 21 21 ILE HG22 H 1 0.726 . . . . . . . . 21 ILE QG2 . 52009 1 197 . 1 . 1 21 21 ILE HG23 H 1 0.726 . . . . . . . . 21 ILE QG2 . 52009 1 198 . 1 . 1 21 21 ILE HD11 H 1 0.62 . . . . . . . . 21 ILE QD1 . 52009 1 199 . 1 . 1 21 21 ILE HD12 H 1 0.62 . . . . . . . . 21 ILE QD1 . 52009 1 200 . 1 . 1 21 21 ILE HD13 H 1 0.62 . . . . . . . . 21 ILE QD1 . 52009 1 201 . 1 . 1 21 21 ILE CA C 13 64.362 . . . . . . . . 21 ILE CA . 52009 1 202 . 1 . 1 21 21 ILE CB C 13 37.016 . . . . . . . . 21 ILE CB . 52009 1 203 . 1 . 1 21 21 ILE CG1 C 13 29.633 . . . . . . . . 21 ILE CG1 . 52009 1 204 . 1 . 1 21 21 ILE CG2 C 13 17.6 . . . . . . . . 21 ILE CG2 . 52009 1 205 . 1 . 1 21 21 ILE CD1 C 13 11.858 . . . . . . . . 21 ILE CD1 . 52009 1 206 . 1 . 1 21 21 ILE N N 15 121.265 . . . . . . . . 21 ILE N . 52009 1 207 . 1 . 1 22 22 GLN H H 1 8.079 . . . . . . . . 22 GLN H . 52009 1 208 . 1 . 1 22 22 GLN HA H 1 4.924 . . . . . . . . 22 GLN HA . 52009 1 209 . 1 . 1 22 22 GLN HB2 H 1 0.939 . . . . . . . . 22 GLN HB2 . 52009 1 210 . 1 . 1 22 22 GLN HB3 H 1 2.213 . . . . . . . . 22 GLN HB3 . 52009 1 211 . 1 . 1 22 22 GLN CA C 13 52.973 . . . . . . . . 22 GLN CA . 52009 1 212 . 1 . 1 22 22 GLN CB C 13 29.633 . . . . . . . . 22 GLN CB . 52009 1 213 . 1 . 1 22 22 GLN N N 15 119.948 . . . . . . . . 22 GLN N . 52009 1 214 . 1 . 1 23 23 LEU H H 1 7.879 . . . . . . . . 23 LEU H . 52009 1 215 . 1 . 1 23 23 LEU HA H 1 3.754 . . . . . . . . 23 LEU HA . 52009 1 216 . 1 . 1 23 23 LEU HB2 H 1 1.019 . . . . . . . . 23 LEU HB2 . 52009 1 217 . 1 . 1 23 23 LEU HD11 H 1 0.939 . . . . . . . . 23 LEU QD1 . 52009 1 218 . 1 . 1 23 23 LEU HD12 H 1 0.939 . . . . . . . . 23 LEU QD1 . 52009 1 219 . 1 . 1 23 23 LEU HD13 H 1 0.939 . . . . . . . . 23 LEU QD1 . 52009 1 220 . 1 . 1 23 23 LEU HD21 H 1 -0.237 . . . . . . . . 23 LEU QD2 . 52009 1 221 . 1 . 1 23 23 LEU HD22 H 1 -0.237 . . . . . . . . 23 LEU QD2 . 52009 1 222 . 1 . 1 23 23 LEU HD23 H 1 -0.237 . . . . . . . . 23 LEU QD2 . 52009 1 223 . 1 . 1 23 23 LEU CA C 13 58.346 . . . . . . . . 23 LEU CA . 52009 1 224 . 1 . 1 23 23 LEU CB C 13 40.844 . . . . . . . . 23 LEU CB . 52009 1 225 . 1 . 1 23 23 LEU CD1 C 13 20.882 . . . . . . . . 23 LEU CD1 . 52009 1 226 . 1 . 1 23 23 LEU CD2 C 13 23.819 . . . . . . . . 23 LEU CD2 . 52009 1 227 . 1 . 1 23 23 LEU N N 15 120.539 . . . . . . . . 23 LEU N . 52009 1 228 . 1 . 1 24 24 ILE H H 1 7.987 . . . . . . . . 24 ILE H . 52009 1 229 . 1 . 1 24 24 ILE HA H 1 3.667 . . . . . . . . 24 ILE HA . 52009 1 230 . 1 . 1 24 24 ILE HB H 1 1.868 . . . . . . . . 24 ILE HB . 52009 1 231 . 1 . 1 24 24 ILE HG21 H 1 0.939 . . . . . . . . 24 ILE QG2 . 52009 1 232 . 1 . 1 24 24 ILE HG22 H 1 0.939 . . . . . . . . 24 ILE QG2 . 52009 1 233 . 1 . 1 24 24 ILE HG23 H 1 0.939 . . . . . . . . 24 ILE QG2 . 52009 1 234 . 1 . 1 24 24 ILE CA C 13 62.677 . . . . . . . . 24 ILE CA . 52009 1 235 . 1 . 1 24 24 ILE CB C 13 37.836 . . . . . . . . 24 ILE CB . 52009 1 236 . 1 . 1 24 24 ILE CG2 C 13 17.6 . . . . . . . . 24 ILE CG2 . 52009 1 237 . 1 . 1 24 24 ILE N N 15 114.038 . . . . . . . . 24 ILE N . 52009 1 238 . 1 . 1 25 25 GLN H H 1 8.727 . . . . . . . . 25 GLN H . 52009 1 239 . 1 . 1 25 25 GLN HA H 1 4.453 . . . . . . . . 25 GLN HA . 52009 1 240 . 1 . 1 25 25 GLN HB2 H 1 1.883 . . . . . . . . 25 GLN HB2 . 52009 1 241 . 1 . 1 25 25 GLN HB3 H 1 2.134 . . . . . . . . 25 GLN HB3 . 52009 1 242 . 1 . 1 25 25 GLN HG2 H 1 2.32 . . . . . . . . 25 GLN HG2 . 52009 1 243 . 1 . 1 25 25 GLN CA C 13 55.592 . . . . . . . . 25 GLN CA . 52009 1 244 . 1 . 1 25 25 GLN CB C 13 29.628 . . . . . . . . 25 GLN CB . 52009 1 245 . 1 . 1 25 25 GLN CG C 13 33.734 . . . . . . . . 25 GLN CG . 52009 1 246 . 1 . 1 25 25 GLN N N 15 116.248 . . . . . . . . 25 GLN N . 52009 1 247 . 1 . 1 26 26 ASN H H 1 8.016 . . . . . . . . 26 ASN H . 52009 1 248 . 1 . 1 26 26 ASN HA H 1 4.789 . . . . . . . . 26 ASN HA . 52009 1 249 . 1 . 1 26 26 ASN HB2 H 1 2.798 . . . . . . . . 26 ASN HB2 . 52009 1 250 . 1 . 1 26 26 ASN HB3 H 1 3.01 . . . . . . . . 26 ASN HB3 . 52009 1 251 . 1 . 1 26 26 ASN CA C 13 54.244 . . . . . . . . 26 ASN CA . 52009 1 252 . 1 . 1 26 26 ASN CB C 13 37.563 . . . . . . . . 26 ASN CB . 52009 1 253 . 1 . 1 26 26 ASN N N 15 116.255 . . . . . . . . 26 ASN N . 52009 1 254 . 1 . 1 28 28 PHE H H 1 8.388 . . . . . . . . 28 PHE H . 52009 1 255 . 1 . 1 28 28 PHE HA H 1 4.889 . . . . . . . . 28 PHE HA . 52009 1 256 . 1 . 1 28 28 PHE HB2 H 1 2.777 . . . . . . . . 28 PHE HB2 . 52009 1 257 . 1 . 1 28 28 PHE CA C 13 56.173 . . . . . . . . 28 PHE CA . 52009 1 258 . 1 . 1 28 28 PHE CB C 13 43.091 . . . . . . . . 28 PHE CB . 52009 1 259 . 1 . 1 28 28 PHE N N 15 121.841 . . . . . . . . 28 PHE N . 52009 1 260 . 1 . 1 29 29 VAL H H 1 7.6 . . . . . . . . 29 VAL H . 52009 1 261 . 1 . 1 29 29 VAL HA H 1 3.913 . . . . . . . . 29 VAL HA . 52009 1 262 . 1 . 1 29 29 VAL HB H 1 1.842 . . . . . . . . 29 VAL HB . 52009 1 263 . 1 . 1 29 29 VAL HG11 H 1 0.726 . . . . . . . . 29 VAL QG1 . 52009 1 264 . 1 . 1 29 29 VAL HG12 H 1 0.726 . . . . . . . . 29 VAL QG1 . 52009 1 265 . 1 . 1 29 29 VAL HG13 H 1 0.726 . . . . . . . . 29 VAL QG1 . 52009 1 266 . 1 . 1 29 29 VAL HG21 H 1 0.673 . . . . . . . . 29 VAL QG2 . 52009 1 267 . 1 . 1 29 29 VAL HG22 H 1 0.673 . . . . . . . . 29 VAL QG2 . 52009 1 268 . 1 . 1 29 29 VAL HG23 H 1 0.673 . . . . . . . . 29 VAL QG2 . 52009 1 269 . 1 . 1 29 29 VAL CA C 13 61.901 . . . . . . . . 29 VAL CA . 52009 1 270 . 1 . 1 29 29 VAL CB C 13 33.188 . . . . . . . . 29 VAL CB . 52009 1 271 . 1 . 1 29 29 VAL CG1 C 13 21.429 . . . . . . . . 29 VAL CG1 . 52009 1 272 . 1 . 1 29 29 VAL CG2 C 13 20.062 . . . . . . . . 29 VAL CG2 . 52009 1 273 . 1 . 1 29 29 VAL N N 15 124.4 . . . . . . . . 29 VAL N . 52009 1 274 . 1 . 1 30 30 ASP H H 1 7.584 . . . . . . . . 30 ASP H . 52009 1 275 . 1 . 1 30 30 ASP HA H 1 4.311 . . . . . . . . 30 ASP HA . 52009 1 276 . 1 . 1 30 30 ASP HB2 H 1 2.506 . . . . . . . . 30 ASP HB2 . 52009 1 277 . 1 . 1 30 30 ASP CA C 13 54.791 . . . . . . . . 30 ASP CA . 52009 1 278 . 1 . 1 30 30 ASP CB C 13 41.391 . . . . . . . . 30 ASP CB . 52009 1 279 . 1 . 1 30 30 ASP N N 15 122.048 . . . . . . . . 30 ASP N . 52009 1 280 . 1 . 1 31 31 GLU H H 1 7.898 . . . . . . . . 31 GLU H . 52009 1 281 . 1 . 1 31 31 GLU HA H 1 4.285 . . . . . . . . 31 GLU HA . 52009 1 282 . 1 . 1 31 31 GLU HB2 H 1 1.974 . . . . . . . . 31 GLU HB2 . 52009 1 283 . 1 . 1 31 31 GLU HG2 H 1 2.134 . . . . . . . . 31 GLU HG2 . 52009 1 284 . 1 . 1 31 31 GLU CA C 13 55.885 . . . . . . . . 31 GLU CA . 52009 1 285 . 1 . 1 31 31 GLU CB C 13 30.726 . . . . . . . . 31 GLU CB . 52009 1 286 . 1 . 1 31 31 GLU CG C 13 36.196 . . . . . . . . 31 GLU CG . 52009 1 287 . 1 . 1 31 31 GLU N N 15 118.559 . . . . . . . . 31 GLU N . 52009 1 288 . 1 . 1 32 32 TYR H H 1 8.091 . . . . . . . . 32 TYR H . 52009 1 289 . 1 . 1 32 32 TYR HA H 1 4.417 . . . . . . . . 32 TYR HA . 52009 1 290 . 1 . 1 32 32 TYR HB2 H 1 2.851 . . . . . . . . 32 TYR HB2 . 52009 1 291 . 1 . 1 32 32 TYR CA C 13 57.799 . . . . . . . . 32 TYR CA . 52009 1 292 . 1 . 1 32 32 TYR CB C 13 39.204 . . . . . . . . 32 TYR CB . 52009 1 293 . 1 . 1 32 32 TYR N N 15 121.568 . . . . . . . . 32 TYR N . 52009 1 294 . 1 . 1 33 33 ASP H H 1 8.008 . . . . . . . . 33 ASP H . 52009 1 295 . 1 . 1 33 33 ASP HA H 1 4.869 . . . . . . . . 33 ASP HA . 52009 1 296 . 1 . 1 33 33 ASP HB2 H 1 2.426 . . . . . . . . 33 ASP HB2 . 52009 1 297 . 1 . 1 33 33 ASP HB3 H 1 2.718 . . . . . . . . 33 ASP HB3 . 52009 1 298 . 1 . 1 33 33 ASP CA C 13 50.962 . . . . . . . . 33 ASP CA . 52009 1 299 . 1 . 1 33 33 ASP CB C 13 41.665 . . . . . . . . 33 ASP CB . 52009 1 300 . 1 . 1 33 33 ASP N N 15 125.478 . . . . . . . . 33 ASP N . 52009 1 301 . 1 . 1 34 34 PRO HA H 1 4.393 . . . . . . . . 34 PRO HA . 52009 1 302 . 1 . 1 34 34 PRO HB2 H 1 2.268 . . . . . . . . 34 PRO HB2 . 52009 1 303 . 1 . 1 34 34 PRO HB3 H 1 2.002 . . . . . . . . 34 PRO HB3 . 52009 1 304 . 1 . 1 34 34 PRO HG2 H 1 1.949 . . . . . . . . 34 PRO QG . 52009 1 305 . 1 . 1 34 34 PRO HG3 H 1 1.949 . . . . . . . . 34 PRO QG . 52009 1 306 . 1 . 1 34 34 PRO HD2 H 1 3.756 . . . . . . . . 34 PRO HD2 . 52009 1 307 . 1 . 1 34 34 PRO HD3 H 1 3.596 . . . . . . . . 34 PRO HD3 . 52009 1 308 . 1 . 1 34 34 PRO CA C 13 63.382 . . . . . . . . 34 PRO CA . 52009 1 309 . 1 . 1 34 34 PRO CB C 13 32.156 . . . . . . . . 34 PRO CB . 52009 1 310 . 1 . 1 34 34 PRO CG C 13 26.677 . . . . . . . . 34 PRO CG . 52009 1 311 . 1 . 1 34 34 PRO CD C 13 50.782 . . . . . . . . 34 PRO CD . 52009 1 312 . 1 . 1 35 35 THR H H 1 8.348 . . . . . . . . 35 THR H . 52009 1 313 . 1 . 1 35 35 THR HA H 1 4.311 . . . . . . . . 35 THR HA . 52009 1 314 . 1 . 1 35 35 THR HB H 1 4.232 . . . . . . . . 35 THR HB . 52009 1 315 . 1 . 1 35 35 THR HG21 H 1 1.178 . . . . . . . . 35 THR QG2 . 52009 1 316 . 1 . 1 35 35 THR HG22 H 1 1.178 . . . . . . . . 35 THR QG2 . 52009 1 317 . 1 . 1 35 35 THR HG23 H 1 1.178 . . . . . . . . 35 THR QG2 . 52009 1 318 . 1 . 1 35 35 THR CA C 13 62.448 . . . . . . . . 35 THR CA . 52009 1 319 . 1 . 1 35 35 THR CB C 13 69.831 . . . . . . . . 35 THR CB . 52009 1 320 . 1 . 1 35 35 THR CG2 C 13 21.702 . . . . . . . . 35 THR CG2 . 52009 1 321 . 1 . 1 35 35 THR N N 15 113.368 . . . . . . . . 35 THR N . 52009 1 322 . 1 . 1 36 36 ILE H H 1 7.717 . . . . . . . . 36 ILE H . 52009 1 323 . 1 . 1 36 36 ILE HA H 1 4.152 . . . . . . . . 36 ILE HA . 52009 1 324 . 1 . 1 36 36 ILE HB H 1 1.895 . . . . . . . . 36 ILE HB . 52009 1 325 . 1 . 1 36 36 ILE HG12 H 1 1.178 . . . . . . . . 36 ILE HG12 . 52009 1 326 . 1 . 1 36 36 ILE HG13 H 1 1.417 . . . . . . . . 36 ILE HG13 . 52009 1 327 . 1 . 1 36 36 ILE HG21 H 1 0.912 . . . . . . . . 36 ILE QG2 . 52009 1 328 . 1 . 1 36 36 ILE HG22 H 1 0.912 . . . . . . . . 36 ILE QG2 . 52009 1 329 . 1 . 1 36 36 ILE HG23 H 1 0.912 . . . . . . . . 36 ILE QG2 . 52009 1 330 . 1 . 1 36 36 ILE HD11 H 1 0.833 . . . . . . . . 36 ILE QD1 . 52009 1 331 . 1 . 1 36 36 ILE HD12 H 1 0.833 . . . . . . . . 36 ILE QD1 . 52009 1 332 . 1 . 1 36 36 ILE HD13 H 1 0.833 . . . . . . . . 36 ILE QD1 . 52009 1 333 . 1 . 1 36 36 ILE CA C 13 61.354 . . . . . . . . 36 ILE CA . 52009 1 334 . 1 . 1 36 36 ILE CB C 13 38.383 . . . . . . . . 36 ILE CB . 52009 1 335 . 1 . 1 36 36 ILE CG1 C 13 27.308 . . . . . . . . 36 ILE CG1 . 52009 1 336 . 1 . 1 36 36 ILE CG2 C 13 17.6 . . . . . . . . 36 ILE CG2 . 52009 1 337 . 1 . 1 36 36 ILE CD1 C 13 12.952 . . . . . . . . 36 ILE CD1 . 52009 1 338 . 1 . 1 36 36 ILE N N 15 122.276 . . . . . . . . 36 ILE N . 52009 1 339 . 1 . 1 37 37 GLU H H 1 8.217 . . . . . . . . 37 GLU H . 52009 1 340 . 1 . 1 37 37 GLU HA H 1 4.338 . . . . . . . . 37 GLU HA . 52009 1 341 . 1 . 1 37 37 GLU HB2 H 1 1.736 . . . . . . . . 37 GLU HB2 . 52009 1 342 . 1 . 1 37 37 GLU HB3 H 1 2.001 . . . . . . . . 37 GLU HB3 . 52009 1 343 . 1 . 1 37 37 GLU HG2 H 1 2.187 . . . . . . . . 37 GLU HG2 . 52009 1 344 . 1 . 1 37 37 GLU CA C 13 56.158 . . . . . . . . 37 GLU CA . 52009 1 345 . 1 . 1 37 37 GLU CB C 13 30.726 . . . . . . . . 37 GLU CB . 52009 1 346 . 1 . 1 37 37 GLU CG C 13 36.196 . . . . . . . . 37 GLU CG . 52009 1 347 . 1 . 1 37 37 GLU N N 15 124.389 . . . . . . . . 37 GLU N . 52009 1 348 . 1 . 1 38 38 ASP H H 1 8.24 . . . . . . . . 38 ASP H . 52009 1 349 . 1 . 1 38 38 ASP HA H 1 4.524 . . . . . . . . 38 ASP HA . 52009 1 350 . 1 . 1 38 38 ASP HB2 H 1 2.638 . . . . . . . . 38 ASP HB2 . 52009 1 351 . 1 . 1 38 38 ASP CA C 13 54.517 . . . . . . . . 38 ASP CA . 52009 1 352 . 1 . 1 38 38 ASP CB C 13 41.391 . . . . . . . . 38 ASP CB . 52009 1 353 . 1 . 1 38 38 ASP N N 15 120.721 . . . . . . . . 38 ASP N . 52009 1 354 . 1 . 1 39 39 SER H H 1 7.745 . . . . . . . . 39 SER H . 52009 1 355 . 1 . 1 39 39 SER HA H 1 4.524 . . . . . . . . 39 SER HA . 52009 1 356 . 1 . 1 39 39 SER HB2 H 1 3.7 . . . . . . . . 39 SER HB2 . 52009 1 357 . 1 . 1 39 39 SER CA C 13 57.525 . . . . . . . . 39 SER CA . 52009 1 358 . 1 . 1 39 39 SER CB C 13 64.362 . . . . . . . . 39 SER CB . 52009 1 359 . 1 . 1 39 39 SER N N 15 113.685 . . . . . . . . 39 SER N . 52009 1 360 . 1 . 1 40 40 TYR H H 1 8.773 . . . . . . . . 40 TYR H . 52009 1 361 . 1 . 1 40 40 TYR HA H 1 4.656 . . . . . . . . 40 TYR HA . 52009 1 362 . 1 . 1 40 40 TYR HB2 H 1 2.984 . . . . . . . . 40 TYR HB2 . 52009 1 363 . 1 . 1 40 40 TYR CA C 13 56.979 . . . . . . . . 40 TYR CA . 52009 1 364 . 1 . 1 40 40 TYR CB C 13 39.204 . . . . . . . . 40 TYR CB . 52009 1 365 . 1 . 1 40 40 TYR N N 15 122.836 . . . . . . . . 40 TYR N . 52009 1 366 . 1 . 1 41 41 ARG H H 1 7.83 . . . . . . . . 41 ARG H . 52009 1 367 . 1 . 1 41 41 ARG HA H 1 5.692 . . . . . . . . 41 ARG HA . 52009 1 368 . 1 . 1 41 41 ARG HB2 H 1 1.656 . . . . . . . . 41 ARG HB2 . 52009 1 369 . 1 . 1 41 41 ARG HG2 H 1 1.497 . . . . . . . . 41 ARG HG2 . 52009 1 370 . 1 . 1 41 41 ARG HD2 H 1 3.076 . . . . . . . . 41 ARG HD2 . 52009 1 371 . 1 . 1 41 41 ARG CA C 13 54.244 . . . . . . . . 41 ARG CA . 52009 1 372 . 1 . 1 41 41 ARG CB C 13 34.281 . . . . . . . . 41 ARG CB . 52009 1 373 . 1 . 1 41 41 ARG CG C 13 27.718 . . . . . . . . 41 ARG CG . 52009 1 374 . 1 . 1 41 41 ARG CD C 13 43.305 . . . . . . . . 41 ARG CD . 52009 1 375 . 1 . 1 41 41 ARG N N 15 119.59 . . . . . . . . 41 ARG N . 52009 1 376 . 1 . 1 42 42 LYS H H 1 8.642 . . . . . . . . 42 LYS H . 52009 1 377 . 1 . 1 42 42 LYS HA H 1 4.502 . . . . . . . . 42 LYS HA . 52009 1 378 . 1 . 1 42 42 LYS HB2 H 1 1.497 . . . . . . . . 42 LYS HB2 . 52009 1 379 . 1 . 1 42 42 LYS HB3 H 1 1.656 . . . . . . . . 42 LYS HB3 . 52009 1 380 . 1 . 1 42 42 LYS HG2 H 1 1.258 . . . . . . . . 42 LYS HG2 . 52009 1 381 . 1 . 1 42 42 LYS HG3 H 1 1.418 . . . . . . . . 42 LYS HG3 . 52009 1 382 . 1 . 1 42 42 LYS CA C 13 55.445 . . . . . . . . 42 LYS CA . 52009 1 383 . 1 . 1 42 42 LYS CB C 13 37.836 . . . . . . . . 42 LYS CB . 52009 1 384 . 1 . 1 42 42 LYS CG C 13 24.897 . . . . . . . . 42 LYS CG . 52009 1 385 . 1 . 1 42 42 LYS N N 15 122.216 . . . . . . . . 42 LYS N . 52009 1 386 . 1 . 1 43 43 GLN H H 1 8.833 . . . . . . . . 43 GLN H . 52009 1 387 . 1 . 1 43 43 GLN HA H 1 5.294 . . . . . . . . 43 GLN HA . 52009 1 388 . 1 . 1 43 43 GLN HB2 H 1 1.921 . . . . . . . . 43 GLN HB2 . 52009 1 389 . 1 . 1 43 43 GLN HG2 H 1 2.107 . . . . . . . . 43 GLN HG2 . 52009 1 390 . 1 . 1 43 43 GLN HG3 H 1 2.213 . . . . . . . . 43 GLN HG3 . 52009 1 391 . 1 . 1 43 43 GLN CA C 13 55.338 . . . . . . . . 43 GLN CA . 52009 1 392 . 1 . 1 43 43 GLN CB C 13 29.906 . . . . . . . . 43 GLN CB . 52009 1 393 . 1 . 1 43 43 GLN CG C 13 34.692 . . . . . . . . 43 GLN CG . 52009 1 394 . 1 . 1 43 43 GLN N N 15 128.577 . . . . . . . . 43 GLN N . 52009 1 395 . 1 . 1 44 44 VAL H H 1 9.081 . . . . . . . . 44 VAL H . 52009 1 396 . 1 . 1 44 44 VAL HA H 1 4.709 . . . . . . . . 44 VAL HA . 52009 1 397 . 1 . 1 44 44 VAL HB H 1 2.028 . . . . . . . . 44 VAL HB . 52009 1 398 . 1 . 1 44 44 VAL HG11 H 1 0.7 . . . . . . . . 44 VAL QG1 . 52009 1 399 . 1 . 1 44 44 VAL HG12 H 1 0.7 . . . . . . . . 44 VAL QG1 . 52009 1 400 . 1 . 1 44 44 VAL HG13 H 1 0.7 . . . . . . . . 44 VAL QG1 . 52009 1 401 . 1 . 1 44 44 VAL HG21 H 1 0.859 . . . . . . . . 44 VAL QG2 . 52009 1 402 . 1 . 1 44 44 VAL HG22 H 1 0.859 . . . . . . . . 44 VAL QG2 . 52009 1 403 . 1 . 1 44 44 VAL HG23 H 1 0.859 . . . . . . . . 44 VAL QG2 . 52009 1 404 . 1 . 1 44 44 VAL CA C 13 59.713 . . . . . . . . 44 VAL CA . 52009 1 405 . 1 . 1 44 44 VAL CB C 13 35.922 . . . . . . . . 44 VAL CB . 52009 1 406 . 1 . 1 44 44 VAL CG1 C 13 19.788 . . . . . . . . 44 VAL CG1 . 52009 1 407 . 1 . 1 44 44 VAL CG2 C 13 21.702 . . . . . . . . 44 VAL CG2 . 52009 1 408 . 1 . 1 44 44 VAL N N 15 121.451 . . . . . . . . 44 VAL N . 52009 1 409 . 1 . 1 45 45 VAL H H 1 8.135 . . . . . . . . 45 VAL H . 52009 1 410 . 1 . 1 45 45 VAL HA H 1 4.577 . . . . . . . . 45 VAL HA . 52009 1 411 . 1 . 1 45 45 VAL HB H 1 1.842 . . . . . . . . 45 VAL HB . 52009 1 412 . 1 . 1 45 45 VAL HG11 H 1 0.886 . . . . . . . . 45 VAL QG1 . 52009 1 413 . 1 . 1 45 45 VAL HG12 H 1 0.886 . . . . . . . . 45 VAL QG1 . 52009 1 414 . 1 . 1 45 45 VAL HG13 H 1 0.886 . . . . . . . . 45 VAL QG1 . 52009 1 415 . 1 . 1 45 45 VAL HG21 H 1 0.647 . . . . . . . . 45 VAL QG2 . 52009 1 416 . 1 . 1 45 45 VAL HG22 H 1 0.647 . . . . . . . . 45 VAL QG2 . 52009 1 417 . 1 . 1 45 45 VAL HG23 H 1 0.647 . . . . . . . . 45 VAL QG2 . 52009 1 418 . 1 . 1 45 45 VAL CA C 13 61.627 . . . . . . . . 45 VAL CA . 52009 1 419 . 1 . 1 45 45 VAL CB C 13 32.367 . . . . . . . . 45 VAL CB . 52009 1 420 . 1 . 1 45 45 VAL CG1 C 13 20.882 . . . . . . . . 45 VAL CG1 . 52009 1 421 . 1 . 1 45 45 VAL CG2 C 13 20.882 . . . . . . . . 45 VAL CG2 . 52009 1 422 . 1 . 1 45 45 VAL N N 15 122.031 . . . . . . . . 45 VAL N . 52009 1 423 . 1 . 1 46 46 ILE H H 1 8.28 . . . . . . . . 46 ILE H . 52009 1 424 . 1 . 1 46 46 ILE HA H 1 3.966 . . . . . . . . 46 ILE HA . 52009 1 425 . 1 . 1 46 46 ILE HB H 1 1.364 . . . . . . . . 46 ILE HB . 52009 1 426 . 1 . 1 46 46 ILE HG21 H 1 1.497 . . . . . . . . 46 ILE QG2 . 52009 1 427 . 1 . 1 46 46 ILE HG22 H 1 1.497 . . . . . . . . 46 ILE QG2 . 52009 1 428 . 1 . 1 46 46 ILE HG23 H 1 1.497 . . . . . . . . 46 ILE QG2 . 52009 1 429 . 1 . 1 46 46 ILE CA C 13 60.26 . . . . . . . . 46 ILE CA . 52009 1 430 . 1 . 1 46 46 ILE CB C 13 40.024 . . . . . . . . 46 ILE CB . 52009 1 431 . 1 . 1 46 46 ILE CG2 C 13 19.515 . . . . . . . . 46 ILE CG2 . 52009 1 432 . 1 . 1 46 46 ILE N N 15 125.88 . . . . . . . . 46 ILE N . 52009 1 433 . 1 . 1 47 47 ASP HB2 H 1 2.799 . . . . . . . . 47 ASP QB . 52009 1 434 . 1 . 1 47 47 ASP HB3 H 1 2.799 . . . . . . . . 47 ASP QB . 52009 1 435 . 1 . 1 47 47 ASP CB C 13 39.277 . . . . . . . . 47 ASP CB . 52009 1 436 . 1 . 1 48 48 GLY H H 1 8.29 . . . . . . . . 48 GLY H . 52009 1 437 . 1 . 1 48 48 GLY HA2 H 1 3.456 . . . . . . . . 48 GLY HA2 . 52009 1 438 . 1 . 1 48 48 GLY HA3 H 1 4.157 . . . . . . . . 48 GLY HA3 . 52009 1 439 . 1 . 1 48 48 GLY CA C 13 45.294 . . . . . . . . 48 GLY CA . 52009 1 440 . 1 . 1 48 48 GLY N N 15 103.267 . . . . . . . . 48 GLY N . 52009 1 441 . 1 . 1 49 49 GLU H H 1 7.692 . . . . . . . . 49 GLU H . 52009 1 442 . 1 . 1 49 49 GLU HA H 1 4.633 . . . . . . . . 49 GLU HA . 52009 1 443 . 1 . 1 49 49 GLU HB2 H 1 1.811 . . . . . . . . 49 GLU HB2 . 52009 1 444 . 1 . 1 49 49 GLU HB3 H 1 2.053 . . . . . . . . 49 GLU HB3 . 52009 1 445 . 1 . 1 49 49 GLU HG2 H 1 2.112 . . . . . . . . 49 GLU HG2 . 52009 1 446 . 1 . 1 49 49 GLU HG3 H 1 2.267 . . . . . . . . 49 GLU HG3 . 52009 1 447 . 1 . 1 49 49 GLU CA C 13 54.722 . . . . . . . . 49 GLU CA . 52009 1 448 . 1 . 1 49 49 GLU CB C 13 31.98 . . . . . . . . 49 GLU CB . 52009 1 449 . 1 . 1 49 49 GLU CG C 13 36.196 . . . . . . . . 49 GLU CG . 52009 1 450 . 1 . 1 49 49 GLU N N 15 122.426 . . . . . . . . 49 GLU N . 52009 1 451 . 1 . 1 50 50 THR H H 1 9.016 . . . . . . . . 50 THR H . 52009 1 452 . 1 . 1 50 50 THR HA H 1 4.627 . . . . . . . . 50 THR HA . 52009 1 453 . 1 . 1 50 50 THR HB H 1 4.099 . . . . . . . . 50 THR HB . 52009 1 454 . 1 . 1 50 50 THR HG21 H 1 1.162 . . . . . . . . 50 THR QG2 . 52009 1 455 . 1 . 1 50 50 THR HG22 H 1 1.162 . . . . . . . . 50 THR QG2 . 52009 1 456 . 1 . 1 50 50 THR HG23 H 1 1.162 . . . . . . . . 50 THR QG2 . 52009 1 457 . 1 . 1 50 50 THR CA C 13 63.823 . . . . . . . . 50 THR CA . 52009 1 458 . 1 . 1 50 50 THR CB C 13 68.464 . . . . . . . . 50 THR CB . 52009 1 459 . 1 . 1 50 50 THR CG2 C 13 22.062 . . . . . . . . 50 THR CG2 . 52009 1 460 . 1 . 1 50 50 THR N N 15 125.652 . . . . . . . . 50 THR N . 52009 1 461 . 1 . 1 51 51 CYS H H 1 9.398 . . . . . . . . 51 CYS H . 52009 1 462 . 1 . 1 51 51 CYS HA H 1 5.161 . . . . . . . . 51 CYS HA . 52009 1 463 . 1 . 1 51 51 CYS HB2 H 1 2.877 . . . . . . . . 51 CYS HB2 . 52009 1 464 . 1 . 1 51 51 CYS CA C 13 56.705 . . . . . . . . 51 CYS CA . 52009 1 465 . 1 . 1 51 51 CYS CB C 13 31.547 . . . . . . . . 51 CYS CB . 52009 1 466 . 1 . 1 51 51 CYS N N 15 124.66 . . . . . . . . 51 CYS N . 52009 1 467 . 1 . 1 52 52 LEU H H 1 8.789 . . . . . . . . 52 LEU H . 52009 1 468 . 1 . 1 52 52 LEU HA H 1 4.948 . . . . . . . . 52 LEU HA . 52009 1 469 . 1 . 1 52 52 LEU HB2 H 1 1.446 . . . . . . . . 52 LEU HB2 . 52009 1 470 . 1 . 1 52 52 LEU HB3 H 1 1.541 . . . . . . . . 52 LEU HB3 . 52009 1 471 . 1 . 1 52 52 LEU HG H 1 1.417 . . . . . . . . 52 LEU HG . 52009 1 472 . 1 . 1 52 52 LEU HD21 H 1 0.753 . . . . . . . . 52 LEU QD2 . 52009 1 473 . 1 . 1 52 52 LEU HD22 H 1 0.753 . . . . . . . . 52 LEU QD2 . 52009 1 474 . 1 . 1 52 52 LEU HD23 H 1 0.753 . . . . . . . . 52 LEU QD2 . 52009 1 475 . 1 . 1 52 52 LEU CA C 13 53.424 . . . . . . . . 52 LEU CA . 52009 1 476 . 1 . 1 52 52 LEU CB C 13 44.272 . . . . . . . . 52 LEU CB . 52009 1 477 . 1 . 1 52 52 LEU CG C 13 27.445 . . . . . . . . 52 LEU CG . 52009 1 478 . 1 . 1 52 52 LEU CD2 C 13 24.437 . . . . . . . . 52 LEU CD2 . 52009 1 479 . 1 . 1 52 52 LEU N N 15 122.298 . . . . . . . . 52 LEU N . 52009 1 480 . 1 . 1 53 53 LEU H H 1 9.08 . . . . . . . . 53 LEU H . 52009 1 481 . 1 . 1 53 53 LEU HA H 1 4.844 . . . . . . . . 53 LEU HA . 52009 1 482 . 1 . 1 53 53 LEU HB2 H 1 1.178 . . . . . . . . 53 LEU HB2 . 52009 1 483 . 1 . 1 53 53 LEU HB3 H 1 1.895 . . . . . . . . 53 LEU HB3 . 52009 1 484 . 1 . 1 53 53 LEU HG H 1 1.842 . . . . . . . . 53 LEU HG . 52009 1 485 . 1 . 1 53 53 LEU HD21 H 1 0.776 . . . . . . . . 53 LEU QD2 . 52009 1 486 . 1 . 1 53 53 LEU HD22 H 1 0.776 . . . . . . . . 53 LEU QD2 . 52009 1 487 . 1 . 1 53 53 LEU HD23 H 1 0.776 . . . . . . . . 53 LEU QD2 . 52009 1 488 . 1 . 1 53 53 LEU CA C 13 53.742 . . . . . . . . 53 LEU CA . 52009 1 489 . 1 . 1 53 53 LEU CB C 13 41.938 . . . . . . . . 53 LEU CB . 52009 1 490 . 1 . 1 53 53 LEU CG C 13 27.171 . . . . . . . . 53 LEU CG . 52009 1 491 . 1 . 1 53 53 LEU CD2 C 13 25.597 . . . . . . . . 53 LEU CD2 . 52009 1 492 . 1 . 1 53 53 LEU N N 15 124.147 . . . . . . . . 53 LEU N . 52009 1 493 . 1 . 1 54 54 ASP H H 1 8.681 . . . . . . . . 54 ASP H . 52009 1 494 . 1 . 1 54 54 ASP HA H 1 5.172 . . . . . . . . 54 ASP HA . 52009 1 495 . 1 . 1 54 54 ASP HB2 H 1 2.187 . . . . . . . . 54 ASP HB2 . 52009 1 496 . 1 . 1 54 54 ASP CA C 13 52.913 . . . . . . . . 54 ASP CA . 52009 1 497 . 1 . 1 54 54 ASP CB C 13 42.759 . . . . . . . . 54 ASP CB . 52009 1 498 . 1 . 1 54 54 ASP N N 15 125.046 . . . . . . . . 54 ASP N . 52009 1 499 . 1 . 1 55 55 ILE H H 1 8.777 . . . . . . . . 55 ILE H . 52009 1 500 . 1 . 1 55 55 ILE HA H 1 4.657 . . . . . . . . 55 ILE HA . 52009 1 501 . 1 . 1 55 55 ILE HB H 1 1.974 . . . . . . . . 55 ILE HB . 52009 1 502 . 1 . 1 55 55 ILE HG12 H 1 1.337 . . . . . . . . 55 ILE QG1 . 52009 1 503 . 1 . 1 55 55 ILE HG13 H 1 1.337 . . . . . . . . 55 ILE QG1 . 52009 1 504 . 1 . 1 55 55 ILE HG21 H 1 0.904 . . . . . . . . 55 ILE QG2 . 52009 1 505 . 1 . 1 55 55 ILE HG22 H 1 0.904 . . . . . . . . 55 ILE QG2 . 52009 1 506 . 1 . 1 55 55 ILE HG23 H 1 0.904 . . . . . . . . 55 ILE QG2 . 52009 1 507 . 1 . 1 55 55 ILE CA C 13 60.293 . . . . . . . . 55 ILE CA . 52009 1 508 . 1 . 1 55 55 ILE CB C 13 37.836 . . . . . . . . 55 ILE CB . 52009 1 509 . 1 . 1 55 55 ILE CG1 C 13 28.539 . . . . . . . . 55 ILE CG1 . 52009 1 510 . 1 . 1 55 55 ILE CG2 C 13 19.252 . . . . . . . . 55 ILE CG2 . 52009 1 511 . 1 . 1 55 55 ILE N N 15 124.481 . . . . . . . . 55 ILE N . 52009 1 512 . 1 . 1 56 56 LEU H H 1 8.701 . . . . . . . . 56 LEU H . 52009 1 513 . 1 . 1 56 56 LEU HB2 H 1 1.523 . . . . . . . . 56 LEU QB . 52009 1 514 . 1 . 1 56 56 LEU HB3 H 1 1.523 . . . . . . . . 56 LEU QB . 52009 1 515 . 1 . 1 56 56 LEU HG H 1 1.497 . . . . . . . . 56 LEU HG . 52009 1 516 . 1 . 1 56 56 LEU CB C 13 42.212 . . . . . . . . 56 LEU CB . 52009 1 517 . 1 . 1 56 56 LEU CG C 13 27.171 . . . . . . . . 56 LEU CG . 52009 1 518 . 1 . 1 56 56 LEU N N 15 128.48 . . . . . . . . 56 LEU N . 52009 1 519 . 1 . 1 57 57 ASP HA H 1 4.181 . . . . . . . . 57 ASP HA . 52009 1 520 . 1 . 1 57 57 ASP CA C 13 59.547 . . . . . . . . 57 ASP CA . 52009 1 521 . 1 . 1 58 58 THR H H 1 8.089 . . . . . . . . 58 THR H . 52009 1 522 . 1 . 1 58 58 THR HG21 H 1 1.156 . . . . . . . . 58 THR QG2 . 52009 1 523 . 1 . 1 58 58 THR HG22 H 1 1.156 . . . . . . . . 58 THR QG2 . 52009 1 524 . 1 . 1 58 58 THR HG23 H 1 1.156 . . . . . . . . 58 THR QG2 . 52009 1 525 . 1 . 1 58 58 THR CG2 C 13 22.245 . . . . . . . . 58 THR CG2 . 52009 1 526 . 1 . 1 58 58 THR N N 15 114.103 . . . . . . . . 58 THR N . 52009 1 527 . 1 . 1 59 59 ALA H H 1 8.308 . . . . . . . . 59 ALA H . 52009 1 528 . 1 . 1 59 59 ALA HA H 1 4.444 . . . . . . . . 59 ALA HA . 52009 1 529 . 1 . 1 59 59 ALA HB1 H 1 1.508 . . . . . . . . 59 ALA HB# . 52009 1 530 . 1 . 1 59 59 ALA HB2 H 1 1.508 . . . . . . . . 59 ALA HB# . 52009 1 531 . 1 . 1 59 59 ALA HB3 H 1 1.508 . . . . . . . . 59 ALA HB# . 52009 1 532 . 1 . 1 59 59 ALA CA C 13 53.424 . . . . . . . . 59 ALA CA . 52009 1 533 . 1 . 1 59 59 ALA CB C 13 19.388 . . . . . . . . 59 ALA CB . 52009 1 534 . 1 . 1 59 59 ALA N N 15 125.821 . . . . . . . . 59 ALA N . 52009 1 535 . 1 . 1 60 60 GLY H H 1 8.627 . . . . . . . . 60 GLY H . 52009 1 536 . 1 . 1 60 60 GLY HA2 H 1 4.022 . . . . . . . . 60 GLY HA2 . 52009 1 537 . 1 . 1 60 60 GLY HA3 H 1 4.082 . . . . . . . . 60 GLY HA3 . 52009 1 538 . 1 . 1 60 60 GLY CA C 13 45.778 . . . . . . . . 60 GLY CA . 52009 1 539 . 1 . 1 60 60 GLY N N 15 108.76 . . . . . . . . 60 GLY N . 52009 1 540 . 1 . 1 61 61 GLN H H 1 8.106 . . . . . . . . 61 GLN H . 52009 1 541 . 1 . 1 61 61 GLN HA H 1 4.444 . . . . . . . . 61 GLN HA . 52009 1 542 . 1 . 1 61 61 GLN HB2 H 1 1.991 . . . . . . . . 61 GLN HB2 . 52009 1 543 . 1 . 1 61 61 GLN HB3 H 1 2.218 . . . . . . . . 61 GLN HB3 . 52009 1 544 . 1 . 1 61 61 GLN HG2 H 1 2.002 . . . . . . . . 61 GLN HG2 . 52009 1 545 . 1 . 1 61 61 GLN HG3 H 1 2.249 . . . . . . . . 61 GLN HG3 . 52009 1 546 . 1 . 1 61 61 GLN CA C 13 55.338 . . . . . . . . 61 GLN CA . 52009 1 547 . 1 . 1 61 61 GLN CB C 13 29.348 . . . . . . . . 61 GLN CB . 52009 1 548 . 1 . 1 61 61 GLN CG C 13 33.461 . . . . . . . . 61 GLN CG . 52009 1 549 . 1 . 1 61 61 GLN N N 15 118.853 . . . . . . . . 61 GLN N . 52009 1 550 . 1 . 1 62 62 GLU H H 1 8.798 . . . . . . . . 62 GLU H . 52009 1 551 . 1 . 1 62 62 GLU HA H 1 4.208 . . . . . . . . 62 GLU HA . 52009 1 552 . 1 . 1 62 62 GLU HB2 H 1 1.974 . . . . . . . . 62 GLU HB2 . 52009 1 553 . 1 . 1 62 62 GLU HB3 H 1 2.081 . . . . . . . . 62 GLU HB3 . 52009 1 554 . 1 . 1 62 62 GLU HG2 H 1 2.373 . . . . . . . . 62 GLU HG2 . 52009 1 555 . 1 . 1 62 62 GLU CA C 13 57.722 . . . . . . . . 62 GLU CA . 52009 1 556 . 1 . 1 62 62 GLU CB C 13 29.906 . . . . . . . . 62 GLU CB . 52009 1 557 . 1 . 1 62 62 GLU CG C 13 36.469 . . . . . . . . 62 GLU CG . 52009 1 558 . 1 . 1 62 62 GLU N N 15 121.707 . . . . . . . . 62 GLU N . 52009 1 559 . 1 . 1 63 63 GLU H H 1 8.611 . . . . . . . . 63 GLU H . 52009 1 560 . 1 . 1 63 63 GLU HA H 1 4.072 . . . . . . . . 63 GLU HA . 52009 1 561 . 1 . 1 63 63 GLU HB2 H 1 1.868 . . . . . . . . 63 GLU HB2 . 52009 1 562 . 1 . 1 63 63 GLU HG2 H 1 2.134 . . . . . . . . 63 GLU HG2 . 52009 1 563 . 1 . 1 63 63 GLU CA C 13 57.799 . . . . . . . . 63 GLU CA . 52009 1 564 . 1 . 1 63 63 GLU CB C 13 29.906 . . . . . . . . 63 GLU CB . 52009 1 565 . 1 . 1 63 63 GLU CG C 13 36.196 . . . . . . . . 63 GLU CG . 52009 1 566 . 1 . 1 63 63 GLU N N 15 120.86 . . . . . . . . 63 GLU N . 52009 1 567 . 1 . 1 64 64 TYR H H 1 8.053 . . . . . . . . 64 TYR H . 52009 1 568 . 1 . 1 64 64 TYR HA H 1 5.798 . . . . . . . . 64 TYR HA . 52009 1 569 . 1 . 1 64 64 TYR HB2 H 1 2.107 . . . . . . . . 64 TYR QB . 52009 1 570 . 1 . 1 64 64 TYR HB3 H 1 2.107 . . . . . . . . 64 TYR QB . 52009 1 571 . 1 . 1 64 64 TYR CA C 13 55.064 . . . . . . . . 64 TYR CA . 52009 1 572 . 1 . 1 64 64 TYR CB C 13 38.11 . . . . . . . . 64 TYR CB . 52009 1 573 . 1 . 1 64 64 TYR N N 15 118.611 . . . . . . . . 64 TYR N . 52009 1 574 . 1 . 1 66 66 ALA HA H 1 4.234 . . . . . . . . 66 ALA HA . 52009 1 575 . 1 . 1 66 66 ALA HB1 H 1 1.471 . . . . . . . . 66 ALA HB# . 52009 1 576 . 1 . 1 66 66 ALA HB2 H 1 1.471 . . . . . . . . 66 ALA HB# . 52009 1 577 . 1 . 1 66 66 ALA HB3 H 1 1.471 . . . . . . . . 66 ALA HB# . 52009 1 578 . 1 . 1 66 66 ALA CA C 13 54.617 . . . . . . . . 66 ALA CA . 52009 1 579 . 1 . 1 66 66 ALA CB C 13 18.46 . . . . . . . . 66 ALA CB . 52009 1 580 . 1 . 1 67 67 MET H H 1 8.034 . . . . . . . . 67 MET H . 52009 1 581 . 1 . 1 67 67 MET HA H 1 4.311 . . . . . . . . 67 MET HA . 52009 1 582 . 1 . 1 67 67 MET HG2 H 1 2.479 . . . . . . . . 67 MET HG2 . 52009 1 583 . 1 . 1 67 67 MET CA C 13 56.979 . . . . . . . . 67 MET CA . 52009 1 584 . 1 . 1 67 67 MET CG C 13 32.094 . . . . . . . . 67 MET CG . 52009 1 585 . 1 . 1 67 67 MET N N 15 117.018 . . . . . . . . 67 MET N . 52009 1 586 . 1 . 1 68 68 ARG H H 1 7.784 . . . . . . . . 68 ARG H . 52009 1 587 . 1 . 1 68 68 ARG HA H 1 3.966 . . . . . . . . 68 ARG HA . 52009 1 588 . 1 . 1 68 68 ARG HB2 H 1 1.948 . . . . . . . . 68 ARG HB2 . 52009 1 589 . 1 . 1 68 68 ARG HG2 H 1 1.842 . . . . . . . . 68 ARG QG . 52009 1 590 . 1 . 1 68 68 ARG HG3 H 1 1.842 . . . . . . . . 68 ARG QG . 52009 1 591 . 1 . 1 68 68 ARG CA C 13 59.166 . . . . . . . . 68 ARG CA . 52009 1 592 . 1 . 1 68 68 ARG CB C 13 29.906 . . . . . . . . 68 ARG CB . 52009 1 593 . 1 . 1 68 68 ARG CG C 13 29.906 . . . . . . . . 68 ARG CG . 52009 1 594 . 1 . 1 68 68 ARG N N 15 120.502 . . . . . . . . 68 ARG N . 52009 1 595 . 1 . 1 69 69 ASP H H 1 8.114 . . . . . . . . 69 ASP H . 52009 1 596 . 1 . 1 69 69 ASP HA H 1 4.319 . . . . . . . . 69 ASP HA . 52009 1 597 . 1 . 1 69 69 ASP HB2 H 1 2.612 . . . . . . . . 69 ASP HB2 . 52009 1 598 . 1 . 1 69 69 ASP HB3 H 1 2.771 . . . . . . . . 69 ASP HB3 . 52009 1 599 . 1 . 1 69 69 ASP CA C 13 57.246 . . . . . . . . 69 ASP CA . 52009 1 600 . 1 . 1 69 69 ASP CB C 13 40.297 . . . . . . . . 69 ASP CB . 52009 1 601 . 1 . 1 69 69 ASP N N 15 119.041 . . . . . . . . 69 ASP N . 52009 1 602 . 1 . 1 70 70 GLN H H 1 7.903 . . . . . . . . 70 GLN H . 52009 1 603 . 1 . 1 70 70 GLN HA H 1 4.046 . . . . . . . . 70 GLN HA . 52009 1 604 . 1 . 1 70 70 GLN HB2 H 1 2.16 . . . . . . . . 70 GLN HB2 . 52009 1 605 . 1 . 1 70 70 GLN HG2 H 1 2.346 . . . . . . . . 70 GLN HG2 . 52009 1 606 . 1 . 1 70 70 GLN CA C 13 58.893 . . . . . . . . 70 GLN CA . 52009 1 607 . 1 . 1 70 70 GLN CB C 13 28.265 . . . . . . . . 70 GLN CB . 52009 1 608 . 1 . 1 70 70 GLN CG C 13 33.461 . . . . . . . . 70 GLN CG . 52009 1 609 . 1 . 1 70 70 GLN N N 15 118.537 . . . . . . . . 70 GLN N . 52009 1 610 . 1 . 1 71 71 TYR H H 1 8.22 . . . . . . . . 71 TYR H . 52009 1 611 . 1 . 1 71 71 TYR HA H 1 4.444 . . . . . . . . 71 TYR HA . 52009 1 612 . 1 . 1 71 71 TYR HB2 H 1 2.984 . . . . . . . . 71 TYR HB2 . 52009 1 613 . 1 . 1 71 71 TYR HB3 H 1 3.223 . . . . . . . . 71 TYR HB3 . 52009 1 614 . 1 . 1 71 71 TYR CA C 13 59.44 . . . . . . . . 71 TYR CA . 52009 1 615 . 1 . 1 71 71 TYR CB C 13 37.289 . . . . . . . . 71 TYR CB . 52009 1 616 . 1 . 1 71 71 TYR N N 15 119.747 . . . . . . . . 71 TYR N . 52009 1 617 . 1 . 1 72 72 MET H H 1 8.27 . . . . . . . . 72 MET H . 52009 1 618 . 1 . 1 72 72 MET HA H 1 4.285 . . . . . . . . 72 MET HA . 52009 1 619 . 1 . 1 72 72 MET HB2 H 1 3.223 . . . . . . . . 72 MET HB2 . 52009 1 620 . 1 . 1 72 72 MET HG2 H 1 2.452 . . . . . . . . 72 MET HG2 . 52009 1 621 . 1 . 1 72 72 MET HG3 H 1 2.877 . . . . . . . . 72 MET HG3 . 52009 1 622 . 1 . 1 72 72 MET HE1 H 1 0.942 . . . . . . . . 72 MET HE# . 52009 1 623 . 1 . 1 72 72 MET HE2 H 1 0.942 . . . . . . . . 72 MET HE# . 52009 1 624 . 1 . 1 72 72 MET HE3 H 1 0.942 . . . . . . . . 72 MET HE# . 52009 1 625 . 1 . 1 72 72 MET CA C 13 59.166 . . . . . . . . 72 MET CA . 52009 1 626 . 1 . 1 72 72 MET CB C 13 37.289 . . . . . . . . 72 MET CB . 52009 1 627 . 1 . 1 72 72 MET CG C 13 33.734 . . . . . . . . 72 MET CG . 52009 1 628 . 1 . 1 72 72 MET CE C 13 21.678 . . . . . . . . 72 MET CE . 52009 1 629 . 1 . 1 72 72 MET N N 15 117.827 . . . . . . . . 72 MET N . 52009 1 630 . 1 . 1 73 73 ARG H H 1 8.093 . . . . . . . . 73 ARG H . 52009 1 631 . 1 . 1 73 73 ARG HA H 1 3.892 . . . . . . . . 73 ARG HA . 52009 1 632 . 1 . 1 73 73 ARG HB2 H 1 1.933 . . . . . . . . 73 ARG HB2 . 52009 1 633 . 1 . 1 73 73 ARG HG2 H 1 1.755 . . . . . . . . 73 ARG HG2 . 52009 1 634 . 1 . 1 73 73 ARG HD2 H 1 3.211 . . . . . . . . 73 ARG HD2 . 52009 1 635 . 1 . 1 73 73 ARG CA C 13 59.621 . . . . . . . . 73 ARG CA . 52009 1 636 . 1 . 1 73 73 ARG CB C 13 30.413 . . . . . . . . 73 ARG CB . 52009 1 637 . 1 . 1 73 73 ARG CG C 13 28.749 . . . . . . . . 73 ARG CG . 52009 1 638 . 1 . 1 73 73 ARG CD C 13 43.508 . . . . . . . . 73 ARG CD . 52009 1 639 . 1 . 1 73 73 ARG N N 15 116.4 . . . . . . . . 73 ARG N . 52009 1 640 . 1 . 1 74 74 THR H H 1 7.793 . . . . . . . . 74 THR H . 52009 1 641 . 1 . 1 74 74 THR HA H 1 4.125 . . . . . . . . 74 THR HA . 52009 1 642 . 1 . 1 74 74 THR HB H 1 4.205 . . . . . . . . 74 THR HB . 52009 1 643 . 1 . 1 74 74 THR HG21 H 1 1.284 . . . . . . . . 74 THR QG2 . 52009 1 644 . 1 . 1 74 74 THR HG22 H 1 1.284 . . . . . . . . 74 THR QG2 . 52009 1 645 . 1 . 1 74 74 THR HG23 H 1 1.284 . . . . . . . . 74 THR QG2 . 52009 1 646 . 1 . 1 74 74 THR CA C 13 63.542 . . . . . . . . 74 THR CA . 52009 1 647 . 1 . 1 74 74 THR CB C 13 69.831 . . . . . . . . 74 THR CB . 52009 1 648 . 1 . 1 74 74 THR CG2 C 13 21.976 . . . . . . . . 74 THR CG2 . 52009 1 649 . 1 . 1 74 74 THR N N 15 110.525 . . . . . . . . 74 THR N . 52009 1 650 . 1 . 1 75 75 GLY H H 1 7.868 . . . . . . . . 75 GLY H . 52009 1 651 . 1 . 1 75 75 GLY HA2 H 1 3.143 . . . . . . . . 75 GLY HA2 . 52009 1 652 . 1 . 1 75 75 GLY HA3 H 1 3.408 . . . . . . . . 75 GLY HA3 . 52009 1 653 . 1 . 1 75 75 GLY CA C 13 46.587 . . . . . . . . 75 GLY CA . 52009 1 654 . 1 . 1 75 75 GLY N N 15 107.812 . . . . . . . . 75 GLY N . 52009 1 655 . 1 . 1 76 76 GLU H H 1 8.888 . . . . . . . . 76 GLU H . 52009 1 656 . 1 . 1 76 76 GLU HA H 1 4.471 . . . . . . . . 76 GLU HA . 52009 1 657 . 1 . 1 76 76 GLU HB2 H 1 2.187 . . . . . . . . 76 GLU HB2 . 52009 1 658 . 1 . 1 76 76 GLU HB3 H 1 2.346 . . . . . . . . 76 GLU HB3 . 52009 1 659 . 1 . 1 76 76 GLU HG2 H 1 2.373 . . . . . . . . 76 GLU HG2 . 52009 1 660 . 1 . 1 76 76 GLU HG3 H 1 2.532 . . . . . . . . 76 GLU HG3 . 52009 1 661 . 1 . 1 76 76 GLU CA C 13 56.432 . . . . . . . . 76 GLU CA . 52009 1 662 . 1 . 1 76 76 GLU CB C 13 32.367 . . . . . . . . 76 GLU CB . 52009 1 663 . 1 . 1 76 76 GLU CG C 13 38.383 . . . . . . . . 76 GLU CG . 52009 1 664 . 1 . 1 76 76 GLU N N 15 121.399 . . . . . . . . 76 GLU N . 52009 1 665 . 1 . 1 77 77 GLY H H 1 7.108 . . . . . . . . 77 GLY H . 52009 1 666 . 1 . 1 77 77 GLY HA2 H 1 3.165 . . . . . . . . 77 GLY HA2 . 52009 1 667 . 1 . 1 77 77 GLY HA3 H 1 4.822 . . . . . . . . 77 GLY HA3 . 52009 1 668 . 1 . 1 77 77 GLY CA C 13 45.554 . . . . . . . . 77 GLY CA . 52009 1 669 . 1 . 1 77 77 GLY N N 15 101.09 . . . . . . . . 77 GLY N . 52009 1 670 . 1 . 1 78 78 PHE H H 1 8.148 . . . . . . . . 78 PHE H . 52009 1 671 . 1 . 1 78 78 PHE HA H 1 5.506 . . . . . . . . 78 PHE HA . 52009 1 672 . 1 . 1 78 78 PHE HB2 H 1 2.745 . . . . . . . . 78 PHE HB2 . 52009 1 673 . 1 . 1 78 78 PHE CA C 13 56.979 . . . . . . . . 78 PHE CA . 52009 1 674 . 1 . 1 78 78 PHE CB C 13 43.032 . . . . . . . . 78 PHE CB . 52009 1 675 . 1 . 1 78 78 PHE N N 15 120.984 . . . . . . . . 78 PHE N . 52009 1 676 . 1 . 1 79 79 LEU H H 1 9.166 . . . . . . . . 79 LEU H . 52009 1 677 . 1 . 1 79 79 LEU HA H 1 4.736 . . . . . . . . 79 LEU HA . 52009 1 678 . 1 . 1 79 79 LEU HB2 H 1 1.258 . . . . . . . . 79 LEU HB2 . 52009 1 679 . 1 . 1 79 79 LEU HB3 H 1 1.576 . . . . . . . . 79 LEU HB3 . 52009 1 680 . 1 . 1 79 79 LEU HG H 1 1.098 . . . . . . . . 79 LEU HG . 52009 1 681 . 1 . 1 79 79 LEU HD11 H 1 1.709 . . . . . . . . 79 LEU QD1 . 52009 1 682 . 1 . 1 79 79 LEU HD12 H 1 1.709 . . . . . . . . 79 LEU QD1 . 52009 1 683 . 1 . 1 79 79 LEU HD13 H 1 1.709 . . . . . . . . 79 LEU QD1 . 52009 1 684 . 1 . 1 79 79 LEU HD21 H 1 0.116 . . . . . . . . 79 LEU QD2 . 52009 1 685 . 1 . 1 79 79 LEU HD22 H 1 0.116 . . . . . . . . 79 LEU QD2 . 52009 1 686 . 1 . 1 79 79 LEU HD23 H 1 0.116 . . . . . . . . 79 LEU QD2 . 52009 1 687 . 1 . 1 79 79 LEU CA C 13 53.697 . . . . . . . . 79 LEU CA . 52009 1 688 . 1 . 1 79 79 LEU CB C 13 43.306 . . . . . . . . 79 LEU CB . 52009 1 689 . 1 . 1 79 79 LEU CG C 13 26.898 . . . . . . . . 79 LEU CG . 52009 1 690 . 1 . 1 79 79 LEU CD1 C 13 27.171 . . . . . . . . 79 LEU CD1 . 52009 1 691 . 1 . 1 79 79 LEU CD2 C 13 25.257 . . . . . . . . 79 LEU CD2 . 52009 1 692 . 1 . 1 79 79 LEU N N 15 125.875 . . . . . . . . 79 LEU N . 52009 1 693 . 1 . 1 80 80 CYS H H 1 8.856 . . . . . . . . 80 CYS H . 52009 1 694 . 1 . 1 80 80 CYS HA H 1 4.816 . . . . . . . . 80 CYS HA . 52009 1 695 . 1 . 1 80 80 CYS HB2 H 1 2.691 . . . . . . . . 80 CYS HB2 . 52009 1 696 . 1 . 1 80 80 CYS HB3 H 1 2.957 . . . . . . . . 80 CYS HB3 . 52009 1 697 . 1 . 1 80 80 CYS CA C 13 57.799 . . . . . . . . 80 CYS CA . 52009 1 698 . 1 . 1 80 80 CYS CB C 13 27.718 . . . . . . . . 80 CYS CB . 52009 1 699 . 1 . 1 80 80 CYS N N 15 124.693 . . . . . . . . 80 CYS N . 52009 1 700 . 1 . 1 81 81 VAL H H 1 9.097 . . . . . . . . 81 VAL H . 52009 1 701 . 1 . 1 81 81 VAL HA H 1 5.028 . . . . . . . . 81 VAL HA . 52009 1 702 . 1 . 1 81 81 VAL HB H 1 1.762 . . . . . . . . 81 VAL HB . 52009 1 703 . 1 . 1 81 81 VAL HG11 H 1 0.647 . . . . . . . . 81 VAL QG1 . 52009 1 704 . 1 . 1 81 81 VAL HG12 H 1 0.647 . . . . . . . . 81 VAL QG1 . 52009 1 705 . 1 . 1 81 81 VAL HG13 H 1 0.647 . . . . . . . . 81 VAL QG1 . 52009 1 706 . 1 . 1 81 81 VAL HG21 H 1 0.568 . . . . . . . . 81 VAL QG2 . 52009 1 707 . 1 . 1 81 81 VAL HG22 H 1 0.568 . . . . . . . . 81 VAL QG2 . 52009 1 708 . 1 . 1 81 81 VAL HG23 H 1 0.568 . . . . . . . . 81 VAL QG2 . 52009 1 709 . 1 . 1 81 81 VAL CA C 13 61.354 . . . . . . . . 81 VAL CA . 52009 1 710 . 1 . 1 81 81 VAL CB C 13 33.734 . . . . . . . . 81 VAL CB . 52009 1 711 . 1 . 1 81 81 VAL CG1 C 13 22.249 . . . . . . . . 81 VAL CG1 . 52009 1 712 . 1 . 1 81 81 VAL CG2 C 13 22.842 . . . . . . . . 81 VAL CG2 . 52009 1 713 . 1 . 1 81 81 VAL N N 15 126.07 . . . . . . . . 81 VAL N . 52009 1 714 . 1 . 1 82 82 PHE H H 1 9.249 . . . . . . . . 82 PHE H . 52009 1 715 . 1 . 1 82 82 PHE HA H 1 5.028 . . . . . . . . 82 PHE HA . 52009 1 716 . 1 . 1 82 82 PHE HB2 H 1 2.959 . . . . . . . . 82 PHE HB2 . 52009 1 717 . 1 . 1 82 82 PHE HB3 H 1 3.7 . . . . . . . . 82 PHE HB3 . 52009 1 718 . 1 . 1 82 82 PHE CA C 13 55.064 . . . . . . . . 82 PHE CA . 52009 1 719 . 1 . 1 82 82 PHE CB C 13 40.844 . . . . . . . . 82 PHE CB . 52009 1 720 . 1 . 1 82 82 PHE N N 15 123.505 . . . . . . . . 82 PHE N . 52009 1 721 . 1 . 1 83 83 ALA H H 1 8.825 . . . . . . . . 83 ALA H . 52009 1 722 . 1 . 1 83 83 ALA HA H 1 5.055 . . . . . . . . 83 ALA HA . 52009 1 723 . 1 . 1 83 83 ALA HB1 H 1 1.47 . . . . . . . . 83 ALA HB# . 52009 1 724 . 1 . 1 83 83 ALA HB2 H 1 1.47 . . . . . . . . 83 ALA HB# . 52009 1 725 . 1 . 1 83 83 ALA HB3 H 1 1.47 . . . . . . . . 83 ALA HB# . 52009 1 726 . 1 . 1 83 83 ALA CA C 13 49.869 . . . . . . . . 83 ALA CA . 52009 1 727 . 1 . 1 83 83 ALA CB C 13 21.702 . . . . . . . . 83 ALA CB . 52009 1 728 . 1 . 1 83 83 ALA N N 15 121.685 . . . . . . . . 83 ALA N . 52009 1 729 . 1 . 1 84 84 ILE H H 1 8.488 . . . . . . . . 84 ILE H . 52009 1 730 . 1 . 1 84 84 ILE HA H 1 4.046 . . . . . . . . 84 ILE HA . 52009 1 731 . 1 . 1 84 84 ILE HB H 1 2.346 . . . . . . . . 84 ILE HB . 52009 1 732 . 1 . 1 84 84 ILE HG12 H 1 1.337 . . . . . . . . 84 ILE QG1 . 52009 1 733 . 1 . 1 84 84 ILE HG13 H 1 1.337 . . . . . . . . 84 ILE QG1 . 52009 1 734 . 1 . 1 84 84 ILE HG21 H 1 0.886 . . . . . . . . 84 ILE QG2 . 52009 1 735 . 1 . 1 84 84 ILE HG22 H 1 0.886 . . . . . . . . 84 ILE QG2 . 52009 1 736 . 1 . 1 84 84 ILE HG23 H 1 0.886 . . . . . . . . 84 ILE QG2 . 52009 1 737 . 1 . 1 84 84 ILE CA C 13 63.542 . . . . . . . . 84 ILE CA . 52009 1 738 . 1 . 1 84 84 ILE CB C 13 38.383 . . . . . . . . 84 ILE CB . 52009 1 739 . 1 . 1 84 84 ILE CG1 C 13 27.445 . . . . . . . . 84 ILE CG1 . 52009 1 740 . 1 . 1 84 84 ILE CG2 C 13 20.335 . . . . . . . . 84 ILE CG2 . 52009 1 741 . 1 . 1 84 84 ILE N N 15 113.606 . . . . . . . . 84 ILE N . 52009 1 742 . 1 . 1 85 85 ASN H H 1 7.907 . . . . . . . . 85 ASN H . 52009 1 743 . 1 . 1 85 85 ASN HA H 1 5.028 . . . . . . . . 85 ASN HA . 52009 1 744 . 1 . 1 85 85 ASN HB2 H 1 2.346 . . . . . . . . 85 ASN HB2 . 52009 1 745 . 1 . 1 85 85 ASN HB3 H 1 3.302 . . . . . . . . 85 ASN HB3 . 52009 1 746 . 1 . 1 85 85 ASN CA C 13 52.056 . . . . . . . . 85 ASN CA . 52009 1 747 . 1 . 1 85 85 ASN CB C 13 38.246 . . . . . . . . 85 ASN CB . 52009 1 748 . 1 . 1 85 85 ASN N N 15 117.037 . . . . . . . . 85 ASN N . 52009 1 749 . 1 . 1 86 86 ASN H H 1 7.908 . . . . . . . . 86 ASN H . 52009 1 750 . 1 . 1 86 86 ASN HB2 H 1 2.454 . . . . . . . . 86 ASN HB2 . 52009 1 751 . 1 . 1 86 86 ASN HB3 H 1 3.183 . . . . . . . . 86 ASN HB3 . 52009 1 752 . 1 . 1 86 86 ASN CB C 13 39.563 . . . . . . . . 86 ASN CB . 52009 1 753 . 1 . 1 86 86 ASN N N 15 119.301 . . . . . . . . 86 ASN N . 52009 1 754 . 1 . 1 87 87 THR HA H 1 3.756 . . . . . . . . 87 THR HA . 52009 1 755 . 1 . 1 87 87 THR HB H 1 4.181 . . . . . . . . 87 THR HB . 52009 1 756 . 1 . 1 87 87 THR HG21 H 1 1.311 . . . . . . . . 87 THR QG2 . 52009 1 757 . 1 . 1 87 87 THR HG22 H 1 1.311 . . . . . . . . 87 THR QG2 . 52009 1 758 . 1 . 1 87 87 THR HG23 H 1 1.311 . . . . . . . . 87 THR QG2 . 52009 1 759 . 1 . 1 87 87 THR CA C 13 66.943 . . . . . . . . 87 THR CA . 52009 1 760 . 1 . 1 87 87 THR CB C 13 68.587 . . . . . . . . 87 THR CB . 52009 1 761 . 1 . 1 87 87 THR CG2 C 13 22.568 . . . . . . . . 87 THR CG2 . 52009 1 762 . 1 . 1 88 88 LYS H H 1 8.465 . . . . . . . . 88 LYS H . 52009 1 763 . 1 . 1 88 88 LYS HA H 1 4.178 . . . . . . . . 88 LYS HA . 52009 1 764 . 1 . 1 88 88 LYS HB2 H 1 1.948 . . . . . . . . 88 LYS HB2 . 52009 1 765 . 1 . 1 88 88 LYS HB3 H 1 2.028 . . . . . . . . 88 LYS HB3 . 52009 1 766 . 1 . 1 88 88 LYS HG2 H 1 1.55 . . . . . . . . 88 LYS HG2 . 52009 1 767 . 1 . 1 88 88 LYS CA C 13 59.44 . . . . . . . . 88 LYS CA . 52009 1 768 . 1 . 1 88 88 LYS CB C 13 31.273 . . . . . . . . 88 LYS CB . 52009 1 769 . 1 . 1 88 88 LYS CG C 13 24.984 . . . . . . . . 88 LYS CG . 52009 1 770 . 1 . 1 88 88 LYS N N 15 124.18 . . . . . . . . 88 LYS N . 52009 1 771 . 1 . 1 89 89 SER H H 1 8.09 . . . . . . . . 89 SER H . 52009 1 772 . 1 . 1 89 89 SER HA H 1 4.258 . . . . . . . . 89 SER HA . 52009 1 773 . 1 . 1 89 89 SER HB2 H 1 4.072 . . . . . . . . 89 SER HB2 . 52009 1 774 . 1 . 1 89 89 SER HB3 H 1 4.497 . . . . . . . . 89 SER HB3 . 52009 1 775 . 1 . 1 89 89 SER CA C 13 61.901 . . . . . . . . 89 SER CA . 52009 1 776 . 1 . 1 89 89 SER CB C 13 63.815 . . . . . . . . 89 SER CB . 52009 1 777 . 1 . 1 89 89 SER N N 15 114.261 . . . . . . . . 89 SER N . 52009 1 778 . 1 . 1 90 90 PHE H H 1 7.45 . . . . . . . . 90 PHE H . 52009 1 779 . 1 . 1 90 90 PHE HA H 1 4.099 . . . . . . . . 90 PHE HA . 52009 1 780 . 1 . 1 90 90 PHE HB2 H 1 2.718 . . . . . . . . 90 PHE HB2 . 52009 1 781 . 1 . 1 90 90 PHE HB3 H 1 3.302 . . . . . . . . 90 PHE HB3 . 52009 1 782 . 1 . 1 90 90 PHE CA C 13 59.987 . . . . . . . . 90 PHE CA . 52009 1 783 . 1 . 1 90 90 PHE CB C 13 40.297 . . . . . . . . 90 PHE CB . 52009 1 784 . 1 . 1 90 90 PHE N N 15 124.595 . . . . . . . . 90 PHE N . 52009 1 785 . 1 . 1 91 91 GLU H H 1 8.459 . . . . . . . . 91 GLU H . 52009 1 786 . 1 . 1 91 91 GLU HA H 1 3.807 . . . . . . . . 91 GLU HA . 52009 1 787 . 1 . 1 91 91 GLU HB2 H 1 2.107 . . . . . . . . 91 GLU HB2 . 52009 1 788 . 1 . 1 91 91 GLU HB3 H 1 2.267 . . . . . . . . 91 GLU HB3 . 52009 1 789 . 1 . 1 91 91 GLU HG2 H 1 2.293 . . . . . . . . 91 GLU HG2 . 52009 1 790 . 1 . 1 91 91 GLU HG3 H 1 2.559 . . . . . . . . 91 GLU HG3 . 52009 1 791 . 1 . 1 91 91 GLU CA C 13 59.166 . . . . . . . . 91 GLU CA . 52009 1 792 . 1 . 1 91 91 GLU CB C 13 29.223 . . . . . . . . 91 GLU CB . 52009 1 793 . 1 . 1 91 91 GLU CG C 13 36.743 . . . . . . . . 91 GLU CG . 52009 1 794 . 1 . 1 91 91 GLU N N 15 121.937 . . . . . . . . 91 GLU N . 52009 1 795 . 1 . 1 92 92 ASP H H 1 8.473 . . . . . . . . 92 ASP H . 52009 1 796 . 1 . 1 92 92 ASP HA H 1 4.577 . . . . . . . . 92 ASP HA . 52009 1 797 . 1 . 1 92 92 ASP HB2 H 1 2.904 . . . . . . . . 92 ASP HB2 . 52009 1 798 . 1 . 1 92 92 ASP CA C 13 56.158 . . . . . . . . 92 ASP CA . 52009 1 799 . 1 . 1 92 92 ASP CB C 13 41.391 . . . . . . . . 92 ASP CB . 52009 1 800 . 1 . 1 92 92 ASP N N 15 116.954 . . . . . . . . 92 ASP N . 52009 1 801 . 1 . 1 93 93 ILE H H 1 7.617 . . . . . . . . 93 ILE H . 52009 1 802 . 1 . 1 93 93 ILE HA H 1 3.939 . . . . . . . . 93 ILE HA . 52009 1 803 . 1 . 1 93 93 ILE HB H 1 2.213 . . . . . . . . 93 ILE HB . 52009 1 804 . 1 . 1 93 93 ILE HG12 H 1 1.39 . . . . . . . . 93 ILE QG1 . 52009 1 805 . 1 . 1 93 93 ILE HG13 H 1 1.39 . . . . . . . . 93 ILE QG1 . 52009 1 806 . 1 . 1 93 93 ILE HG21 H 1 0.939 . . . . . . . . 93 ILE QG2 . 52009 1 807 . 1 . 1 93 93 ILE HG22 H 1 0.939 . . . . . . . . 93 ILE QG2 . 52009 1 808 . 1 . 1 93 93 ILE HG23 H 1 0.939 . . . . . . . . 93 ILE QG2 . 52009 1 809 . 1 . 1 93 93 ILE HD11 H 1 0.838 . . . . . . . . 93 ILE QD1 . 52009 1 810 . 1 . 1 93 93 ILE HD12 H 1 0.838 . . . . . . . . 93 ILE QD1 . 52009 1 811 . 1 . 1 93 93 ILE HD13 H 1 0.838 . . . . . . . . 93 ILE QD1 . 52009 1 812 . 1 . 1 93 93 ILE CA C 13 62.721 . . . . . . . . 93 ILE CA . 52009 1 813 . 1 . 1 93 93 ILE CB C 13 34.281 . . . . . . . . 93 ILE CB . 52009 1 814 . 1 . 1 93 93 ILE CG1 C 13 26.625 . . . . . . . . 93 ILE CG1 . 52009 1 815 . 1 . 1 93 93 ILE CG2 C 13 17.327 . . . . . . . . 93 ILE CG2 . 52009 1 816 . 1 . 1 93 93 ILE CD1 C 13 9.254 . . . . . . . . 93 ILE CD1 . 52009 1 817 . 1 . 1 93 93 ILE N N 15 120.54 . . . . . . . . 93 ILE N . 52009 1 818 . 1 . 1 94 94 HIS H H 1 7.685 . . . . . . . . 94 HIS H . 52009 1 819 . 1 . 1 94 94 HIS HA H 1 4.205 . . . . . . . . 94 HIS HA . 52009 1 820 . 1 . 1 94 94 HIS HB2 H 1 2.904 . . . . . . . . 94 HIS HB2 . 52009 1 821 . 1 . 1 94 94 HIS HB3 H 1 3.115 . . . . . . . . 94 HIS HB3 . 52009 1 822 . 1 . 1 94 94 HIS CA C 13 60.26 . . . . . . . . 94 HIS CA . 52009 1 823 . 1 . 1 94 94 HIS CB C 13 30.863 . . . . . . . . 94 HIS CB . 52009 1 824 . 1 . 1 94 94 HIS N N 15 117.134 . . . . . . . . 94 HIS N . 52009 1 825 . 1 . 1 95 95 HIS H H 1 7.193 . . . . . . . . 95 HIS H . 52009 1 826 . 1 . 1 95 95 HIS HA H 1 4.178 . . . . . . . . 95 HIS HA . 52009 1 827 . 1 . 1 95 95 HIS HB2 H 1 2.972 . . . . . . . . 95 HIS HB2 . 52009 1 828 . 1 . 1 95 95 HIS CA C 13 58.893 . . . . . . . . 95 HIS CA . 52009 1 829 . 1 . 1 95 95 HIS CB C 13 29.643 . . . . . . . . 95 HIS CB . 52009 1 830 . 1 . 1 95 95 HIS N N 15 117.243 . . . . . . . . 95 HIS N . 52009 1 831 . 1 . 1 96 96 TYR H H 1 7.767 . . . . . . . . 96 TYR H . 52009 1 832 . 1 . 1 96 96 TYR HA H 1 4.019 . . . . . . . . 96 TYR HA . 52009 1 833 . 1 . 1 96 96 TYR HB2 H 1 2.879 . . . . . . . . 96 TYR HB2 . 52009 1 834 . 1 . 1 96 96 TYR CA C 13 62.995 . . . . . . . . 96 TYR CA . 52009 1 835 . 1 . 1 96 96 TYR CB C 13 37.839 . . . . . . . . 96 TYR CB . 52009 1 836 . 1 . 1 96 96 TYR N N 15 118.888 . . . . . . . . 96 TYR N . 52009 1 837 . 1 . 1 97 97 ARG H H 1 8.599 . . . . . . . . 97 ARG H . 52009 1 838 . 1 . 1 97 97 ARG HA H 1 4.004 . . . . . . . . 97 ARG HA . 52009 1 839 . 1 . 1 97 97 ARG HB2 H 1 1.948 . . . . . . . . 97 ARG HB2 . 52009 1 840 . 1 . 1 97 97 ARG HG2 H 1 1.842 . . . . . . . . 97 ARG QG . 52009 1 841 . 1 . 1 97 97 ARG HG3 H 1 1.842 . . . . . . . . 97 ARG QG . 52009 1 842 . 1 . 1 97 97 ARG CA C 13 60.224 . . . . . . . . 97 ARG CA . 52009 1 843 . 1 . 1 97 97 ARG CB C 13 30.726 . . . . . . . . 97 ARG CB . 52009 1 844 . 1 . 1 97 97 ARG CG C 13 27.445 . . . . . . . . 97 ARG CG . 52009 1 845 . 1 . 1 97 97 ARG N N 15 119.152 . . . . . . . . 97 ARG N . 52009 1 846 . 1 . 1 98 98 GLU H H 1 7.905 . . . . . . . . 98 GLU H . 52009 1 847 . 1 . 1 98 98 GLU HA H 1 5.054 . . . . . . . . 98 GLU HA . 52009 1 848 . 1 . 1 98 98 GLU HB2 H 1 1.577 . . . . . . . . 98 GLU HB2 . 52009 1 849 . 1 . 1 98 98 GLU HB3 H 1 1.79 . . . . . . . . 98 GLU HB3 . 52009 1 850 . 1 . 1 98 98 GLU HG2 H 1 2.374 . . . . . . . . 98 GLU HG2 . 52009 1 851 . 1 . 1 98 98 GLU HG3 H 1 3.33 . . . . . . . . 98 GLU HG3 . 52009 1 852 . 1 . 1 98 98 GLU CA C 13 52.192 . . . . . . . . 98 GLU CA . 52009 1 853 . 1 . 1 98 98 GLU CB C 13 25.308 . . . . . . . . 98 GLU CB . 52009 1 854 . 1 . 1 98 98 GLU CG C 13 38.182 . . . . . . . . 98 GLU CG . 52009 1 855 . 1 . 1 98 98 GLU N N 15 117.344 . . . . . . . . 98 GLU N . 52009 1 856 . 1 . 1 99 99 GLN H H 1 7.898 . . . . . . . . 99 GLN H . 52009 1 857 . 1 . 1 99 99 GLN HA H 1 3.889 . . . . . . . . 99 GLN HA . 52009 1 858 . 1 . 1 99 99 GLN HB2 H 1 2.051 . . . . . . . . 99 GLN HB2 . 52009 1 859 . 1 . 1 99 99 GLN HG2 H 1 2.287 . . . . . . . . 99 GLN HG2 . 52009 1 860 . 1 . 1 99 99 GLN CA C 13 58.89 . . . . . . . . 99 GLN CA . 52009 1 861 . 1 . 1 99 99 GLN CB C 13 28.263 . . . . . . . . 99 GLN CB . 52009 1 862 . 1 . 1 99 99 GLN CG C 13 33.489 . . . . . . . . 99 GLN CG . 52009 1 863 . 1 . 1 99 99 GLN N N 15 119.323 . . . . . . . . 99 GLN N . 52009 1 864 . 1 . 1 100 100 ILE H H 1 7.865 . . . . . . . . 100 ILE H . 52009 1 865 . 1 . 1 100 100 ILE HA H 1 3.143 . . . . . . . . 100 ILE HA . 52009 1 866 . 1 . 1 100 100 ILE HB H 1 1.39 . . . . . . . . 100 ILE HB . 52009 1 867 . 1 . 1 100 100 ILE HG13 H 1 1.55 . . . . . . . . 100 ILE HG13 . 52009 1 868 . 1 . 1 100 100 ILE HG21 H 1 -0.123 . . . . . . . . 100 ILE QG2 . 52009 1 869 . 1 . 1 100 100 ILE HG22 H 1 -0.123 . . . . . . . . 100 ILE QG2 . 52009 1 870 . 1 . 1 100 100 ILE HG23 H 1 -0.123 . . . . . . . . 100 ILE QG2 . 52009 1 871 . 1 . 1 100 100 ILE HD11 H 1 0.372 . . . . . . . . 100 ILE QD1 . 52009 1 872 . 1 . 1 100 100 ILE HD12 H 1 0.372 . . . . . . . . 100 ILE QD1 . 52009 1 873 . 1 . 1 100 100 ILE HD13 H 1 0.372 . . . . . . . . 100 ILE QD1 . 52009 1 874 . 1 . 1 100 100 ILE CA C 13 65.456 . . . . . . . . 100 ILE CA . 52009 1 875 . 1 . 1 100 100 ILE CB C 13 37.836 . . . . . . . . 100 ILE CB . 52009 1 876 . 1 . 1 100 100 ILE CG1 C 13 29.359 . . . . . . . . 100 ILE CG1 . 52009 1 877 . 1 . 1 100 100 ILE CG2 C 13 17.874 . . . . . . . . 100 ILE CG2 . 52009 1 878 . 1 . 1 100 100 ILE CD1 C 13 15.633 . . . . . . . . 100 ILE CD1 . 52009 1 879 . 1 . 1 100 100 ILE N N 15 119.81 . . . . . . . . 100 ILE N . 52009 1 880 . 1 . 1 101 101 LYS H H 1 7.762 . . . . . . . . 101 LYS H . 52009 1 881 . 1 . 1 101 101 LYS HA H 1 3.886 . . . . . . . . 101 LYS HA . 52009 1 882 . 1 . 1 101 101 LYS HB2 H 1 1.682 . . . . . . . . 101 LYS HB2 . 52009 1 883 . 1 . 1 101 101 LYS HG2 H 1 1.417 . . . . . . . . 101 LYS HG2 . 52009 1 884 . 1 . 1 101 101 LYS HD2 H 1 1.497 . . . . . . . . 101 LYS QD . 52009 1 885 . 1 . 1 101 101 LYS HD3 H 1 1.497 . . . . . . . . 101 LYS QD . 52009 1 886 . 1 . 1 101 101 LYS CA C 13 59.713 . . . . . . . . 101 LYS CA . 52009 1 887 . 1 . 1 101 101 LYS CB C 13 32.367 . . . . . . . . 101 LYS CB . 52009 1 888 . 1 . 1 101 101 LYS CG C 13 24.984 . . . . . . . . 101 LYS CG . 52009 1 889 . 1 . 1 101 101 LYS CD C 13 29.906 . . . . . . . . 101 LYS CD . 52009 1 890 . 1 . 1 101 101 LYS N N 15 117.276 . . . . . . . . 101 LYS N . 52009 1 891 . 1 . 1 102 102 ARG H H 1 7.756 . . . . . . . . 102 ARG H . 52009 1 892 . 1 . 1 102 102 ARG HA H 1 4.072 . . . . . . . . 102 ARG HA . 52009 1 893 . 1 . 1 102 102 ARG HB2 H 1 1.895 . . . . . . . . 102 ARG HB2 . 52009 1 894 . 1 . 1 102 102 ARG HG2 H 1 1.656 . . . . . . . . 102 ARG HG2 . 52009 1 895 . 1 . 1 102 102 ARG CA C 13 59.166 . . . . . . . . 102 ARG CA . 52009 1 896 . 1 . 1 102 102 ARG CB C 13 29.906 . . . . . . . . 102 ARG CB . 52009 1 897 . 1 . 1 102 102 ARG CG C 13 27.171 . . . . . . . . 102 ARG CG . 52009 1 898 . 1 . 1 102 102 ARG N N 15 117.883 . . . . . . . . 102 ARG N . 52009 1 899 . 1 . 1 103 103 VAL H H 1 8.191 . . . . . . . . 103 VAL H . 52009 1 900 . 1 . 1 103 103 VAL HA H 1 3.833 . . . . . . . . 103 VAL HA . 52009 1 901 . 1 . 1 103 103 VAL HB H 1 2.028 . . . . . . . . 103 VAL HB . 52009 1 902 . 1 . 1 103 103 VAL HG11 H 1 0.939 . . . . . . . . 103 VAL QG1 . 52009 1 903 . 1 . 1 103 103 VAL HG12 H 1 0.939 . . . . . . . . 103 VAL QG1 . 52009 1 904 . 1 . 1 103 103 VAL HG13 H 1 0.939 . . . . . . . . 103 VAL QG1 . 52009 1 905 . 1 . 1 103 103 VAL HG21 H 1 1.045 . . . . . . . . 103 VAL QG2 . 52009 1 906 . 1 . 1 103 103 VAL HG22 H 1 1.045 . . . . . . . . 103 VAL QG2 . 52009 1 907 . 1 . 1 103 103 VAL HG23 H 1 1.045 . . . . . . . . 103 VAL QG2 . 52009 1 908 . 1 . 1 103 103 VAL CA C 13 65.456 . . . . . . . . 103 VAL CA . 52009 1 909 . 1 . 1 103 103 VAL CB C 13 31.82 . . . . . . . . 103 VAL CB . 52009 1 910 . 1 . 1 103 103 VAL CG1 C 13 21.702 . . . . . . . . 103 VAL CG1 . 52009 1 911 . 1 . 1 103 103 VAL CG2 C 13 22.523 . . . . . . . . 103 VAL CG2 . 52009 1 912 . 1 . 1 103 103 VAL N N 15 118.317 . . . . . . . . 103 VAL N . 52009 1 913 . 1 . 1 104 104 LYS H H 1 8.062 . . . . . . . . 104 LYS H . 52009 1 914 . 1 . 1 104 104 LYS HA H 1 4.258 . . . . . . . . 104 LYS HA . 52009 1 915 . 1 . 1 104 104 LYS HB2 H 1 1.762 . . . . . . . . 104 LYS HB2 . 52009 1 916 . 1 . 1 104 104 LYS HG2 H 1 1.39 . . . . . . . . 104 LYS HG2 . 52009 1 917 . 1 . 1 104 104 LYS HG3 H 1 1.55 . . . . . . . . 104 LYS HG3 . 52009 1 918 . 1 . 1 104 104 LYS CA C 13 54.791 . . . . . . . . 104 LYS CA . 52009 1 919 . 1 . 1 104 104 LYS CB C 13 30.726 . . . . . . . . 104 LYS CB . 52009 1 920 . 1 . 1 104 104 LYS CG C 13 24.3 . . . . . . . . 104 LYS CG . 52009 1 921 . 1 . 1 104 104 LYS N N 15 116.323 . . . . . . . . 104 LYS N . 52009 1 922 . 1 . 1 105 105 ASP H H 1 7.942 . . . . . . . . 105 ASP H . 52009 1 923 . 1 . 1 105 105 ASP HA H 1 4.311 . . . . . . . . 105 ASP HA . 52009 1 924 . 1 . 1 105 105 ASP HB2 H 1 2.346 . . . . . . . . 105 ASP HB2 . 52009 1 925 . 1 . 1 105 105 ASP HB3 H 1 3.116 . . . . . . . . 105 ASP HB3 . 52009 1 926 . 1 . 1 105 105 ASP CA C 13 54.517 . . . . . . . . 105 ASP CA . 52009 1 927 . 1 . 1 105 105 ASP CB C 13 39.888 . . . . . . . . 105 ASP CB . 52009 1 928 . 1 . 1 105 105 ASP N N 15 120.933 . . . . . . . . 105 ASP N . 52009 1 929 . 1 . 1 106 106 SER H H 1 7.6 . . . . . . . . 106 SER H . 52009 1 930 . 1 . 1 106 106 SER HA H 1 4.524 . . . . . . . . 106 SER HA . 52009 1 931 . 1 . 1 106 106 SER HB2 H 1 3.249 . . . . . . . . 106 SER HB2 . 52009 1 932 . 1 . 1 106 106 SER HB3 H 1 3.78 . . . . . . . . 106 SER HB3 . 52009 1 933 . 1 . 1 106 106 SER CA C 13 56.979 . . . . . . . . 106 SER CA . 52009 1 934 . 1 . 1 106 106 SER CB C 13 65.182 . . . . . . . . 106 SER CB . 52009 1 935 . 1 . 1 106 106 SER N N 15 109.238 . . . . . . . . 106 SER N . 52009 1 936 . 1 . 1 107 107 GLU H H 1 8.416 . . . . . . . . 107 GLU H . 52009 1 937 . 1 . 1 107 107 GLU HA H 1 4.258 . . . . . . . . 107 GLU HA . 52009 1 938 . 1 . 1 107 107 GLU HB2 H 1 1.895 . . . . . . . . 107 GLU HB2 . 52009 1 939 . 1 . 1 107 107 GLU HB3 H 1 2.134 . . . . . . . . 107 GLU HB3 . 52009 1 940 . 1 . 1 107 107 GLU HG2 H 1 2.213 . . . . . . . . 107 GLU HG2 . 52009 1 941 . 1 . 1 107 107 GLU CA C 13 56.432 . . . . . . . . 107 GLU CA . 52009 1 942 . 1 . 1 107 107 GLU CB C 13 30.453 . . . . . . . . 107 GLU CB . 52009 1 943 . 1 . 1 107 107 GLU CG C 13 36.469 . . . . . . . . 107 GLU CG . 52009 1 944 . 1 . 1 107 107 GLU N N 15 121.148 . . . . . . . . 107 GLU N . 52009 1 945 . 1 . 1 108 108 ASP H H 1 8.369 . . . . . . . . 108 ASP H . 52009 1 946 . 1 . 1 108 108 ASP HA H 1 4.842 . . . . . . . . 108 ASP HA . 52009 1 947 . 1 . 1 108 108 ASP HB2 H 1 2.532 . . . . . . . . 108 ASP HB2 . 52009 1 948 . 1 . 1 108 108 ASP HB3 H 1 2.745 . . . . . . . . 108 ASP HB3 . 52009 1 949 . 1 . 1 108 108 ASP CA C 13 53.15 . . . . . . . . 108 ASP CA . 52009 1 950 . 1 . 1 108 108 ASP CB C 13 41.391 . . . . . . . . 108 ASP CB . 52009 1 951 . 1 . 1 108 108 ASP N N 15 120.711 . . . . . . . . 108 ASP N . 52009 1 952 . 1 . 1 109 109 VAL H H 1 7.611 . . . . . . . . 109 VAL H . 52009 1 953 . 1 . 1 109 109 VAL HA H 1 4.264 . . . . . . . . 109 VAL HA . 52009 1 954 . 1 . 1 109 109 VAL HB H 1 1.689 . . . . . . . . 109 VAL HB . 52009 1 955 . 1 . 1 109 109 VAL HG11 H 1 0.703 . . . . . . . . 109 VAL QG1 . 52009 1 956 . 1 . 1 109 109 VAL HG12 H 1 0.703 . . . . . . . . 109 VAL QG1 . 52009 1 957 . 1 . 1 109 109 VAL HG13 H 1 0.703 . . . . . . . . 109 VAL QG1 . 52009 1 958 . 1 . 1 109 109 VAL CA C 13 58.776 . . . . . . . . 109 VAL CA . 52009 1 959 . 1 . 1 109 109 VAL CB C 13 35.103 . . . . . . . . 109 VAL CB . 52009 1 960 . 1 . 1 109 109 VAL CG1 C 13 21.422 . . . . . . . . 109 VAL CG1 . 52009 1 961 . 1 . 1 109 109 VAL N N 15 121.75 . . . . . . . . 109 VAL N . 52009 1 962 . 1 . 1 110 110 PRO HA H 1 4.446 . . . . . . . . 110 PRO HA . 52009 1 963 . 1 . 1 110 110 PRO HB2 H 1 3.065 . . . . . . . . 110 PRO QB . 52009 1 964 . 1 . 1 110 110 PRO HB3 H 1 3.065 . . . . . . . . 110 PRO QB . 52009 1 965 . 1 . 1 110 110 PRO HG2 H 1 1.843 . . . . . . . . 110 PRO HG2 . 52009 1 966 . 1 . 1 110 110 PRO HG3 H 1 2.108 . . . . . . . . 110 PRO HG3 . 52009 1 967 . 1 . 1 110 110 PRO CA C 13 63.656 . . . . . . . . 110 PRO CA . 52009 1 968 . 1 . 1 110 110 PRO CB C 13 31.06 . . . . . . . . 110 PRO CB . 52009 1 969 . 1 . 1 110 110 PRO CG C 13 32.156 . . . . . . . . 110 PRO CG . 52009 1 970 . 1 . 1 111 111 MET H H 1 8.272 . . . . . . . . 111 MET H . 52009 1 971 . 1 . 1 111 111 MET HA H 1 5.798 . . . . . . . . 111 MET HA . 52009 1 972 . 1 . 1 111 111 MET HB2 H 1 2.081 . . . . . . . . 111 MET HB2 . 52009 1 973 . 1 . 1 111 111 MET HG2 H 1 2.638 . . . . . . . . 111 MET HG2 . 52009 1 974 . 1 . 1 111 111 MET CA C 13 55.064 . . . . . . . . 111 MET CA . 52009 1 975 . 1 . 1 111 111 MET CB C 13 38.11 . . . . . . . . 111 MET CB . 52009 1 976 . 1 . 1 111 111 MET CG C 13 32.641 . . . . . . . . 111 MET CG . 52009 1 977 . 1 . 1 111 111 MET N N 15 122.941 . . . . . . . . 111 MET N . 52009 1 978 . 1 . 1 112 112 VAL H H 1 8.063 . . . . . . . . 112 VAL H . 52009 1 979 . 1 . 1 112 112 VAL HA H 1 4.311 . . . . . . . . 112 VAL HA . 52009 1 980 . 1 . 1 112 112 VAL HB H 1 1.762 . . . . . . . . 112 VAL HB . 52009 1 981 . 1 . 1 112 112 VAL HG11 H 1 0.752 . . . . . . . . 112 VAL QG1 . 52009 1 982 . 1 . 1 112 112 VAL HG12 H 1 0.752 . . . . . . . . 112 VAL QG1 . 52009 1 983 . 1 . 1 112 112 VAL HG13 H 1 0.752 . . . . . . . . 112 VAL QG1 . 52009 1 984 . 1 . 1 112 112 VAL HG21 H 1 0.78 . . . . . . . . 112 VAL QG2 . 52009 1 985 . 1 . 1 112 112 VAL HG22 H 1 0.78 . . . . . . . . 112 VAL QG2 . 52009 1 986 . 1 . 1 112 112 VAL HG23 H 1 0.78 . . . . . . . . 112 VAL QG2 . 52009 1 987 . 1 . 1 112 112 VAL CA C 13 61.08 . . . . . . . . 112 VAL CA . 52009 1 988 . 1 . 1 112 112 VAL CB C 13 37.289 . . . . . . . . 112 VAL CB . 52009 1 989 . 1 . 1 112 112 VAL CG1 C 13 21.146 . . . . . . . . 112 VAL CG1 . 52009 1 990 . 1 . 1 112 112 VAL CG2 C 13 22.796 . . . . . . . . 112 VAL CG2 . 52009 1 991 . 1 . 1 112 112 VAL N N 15 118.137 . . . . . . . . 112 VAL N . 52009 1 992 . 1 . 1 113 113 LEU H H 1 9.007 . . . . . . . . 113 LEU H . 52009 1 993 . 1 . 1 113 113 LEU HA H 1 5.187 . . . . . . . . 113 LEU HA . 52009 1 994 . 1 . 1 113 113 LEU HB2 H 1 1.47 . . . . . . . . 113 LEU HB2 . 52009 1 995 . 1 . 1 113 113 LEU HB3 H 1 2.506 . . . . . . . . 113 LEU HB3 . 52009 1 996 . 1 . 1 113 113 LEU HG H 1 2.055 . . . . . . . . 113 LEU HG . 52009 1 997 . 1 . 1 113 113 LEU HD11 H 1 0.886 . . . . . . . . 113 LEU QD1 . 52009 1 998 . 1 . 1 113 113 LEU HD12 H 1 0.886 . . . . . . . . 113 LEU QD1 . 52009 1 999 . 1 . 1 113 113 LEU HD13 H 1 0.886 . . . . . . . . 113 LEU QD1 . 52009 1 1000 . 1 . 1 113 113 LEU HD21 H 1 1.072 . . . . . . . . 113 LEU QD2 . 52009 1 1001 . 1 . 1 113 113 LEU HD22 H 1 1.072 . . . . . . . . 113 LEU QD2 . 52009 1 1002 . 1 . 1 113 113 LEU HD23 H 1 1.072 . . . . . . . . 113 LEU QD2 . 52009 1 1003 . 1 . 1 113 113 LEU CA C 13 53.97 . . . . . . . . 113 LEU CA . 52009 1 1004 . 1 . 1 113 113 LEU CB C 13 44.126 . . . . . . . . 113 LEU CB . 52009 1 1005 . 1 . 1 113 113 LEU CG C 13 28.047 . . . . . . . . 113 LEU CG . 52009 1 1006 . 1 . 1 113 113 LEU CD1 C 13 15.139 . . . . . . . . 113 LEU CD1 . 52009 1 1007 . 1 . 1 113 113 LEU CD2 C 13 27.445 . . . . . . . . 113 LEU CD2 . 52009 1 1008 . 1 . 1 113 113 LEU N N 15 128.955 . . . . . . . . 113 LEU N . 52009 1 1009 . 1 . 1 114 114 VAL H H 1 9.27 . . . . . . . . 114 VAL H . 52009 1 1010 . 1 . 1 114 114 VAL HA H 1 5.134 . . . . . . . . 114 VAL HA . 52009 1 1011 . 1 . 1 114 114 VAL HB H 1 1.709 . . . . . . . . 114 VAL HB . 52009 1 1012 . 1 . 1 114 114 VAL HG11 H 1 0.62 . . . . . . . . 114 VAL QG1 . 52009 1 1013 . 1 . 1 114 114 VAL HG12 H 1 0.62 . . . . . . . . 114 VAL QG1 . 52009 1 1014 . 1 . 1 114 114 VAL HG13 H 1 0.62 . . . . . . . . 114 VAL QG1 . 52009 1 1015 . 1 . 1 114 114 VAL HG21 H 1 0.674 . . . . . . . . 114 VAL QG2 . 52009 1 1016 . 1 . 1 114 114 VAL HG22 H 1 0.674 . . . . . . . . 114 VAL QG2 . 52009 1 1017 . 1 . 1 114 114 VAL HG23 H 1 0.674 . . . . . . . . 114 VAL QG2 . 52009 1 1018 . 1 . 1 114 114 VAL CA C 13 59.987 . . . . . . . . 114 VAL CA . 52009 1 1019 . 1 . 1 114 114 VAL CB C 13 35.375 . . . . . . . . 114 VAL CB . 52009 1 1020 . 1 . 1 114 114 VAL CG1 C 13 23.07 . . . . . . . . 114 VAL CG1 . 52009 1 1021 . 1 . 1 114 114 VAL CG2 C 13 23.39 . . . . . . . . 114 VAL CG2 . 52009 1 1022 . 1 . 1 114 114 VAL N N 15 128.064 . . . . . . . . 114 VAL N . 52009 1 1023 . 1 . 1 115 115 GLY H H 1 8.164 . . . . . . . . 115 GLY H . 52009 1 1024 . 1 . 1 115 115 GLY HA2 H 1 2.399 . . . . . . . . 115 GLY HA2 . 52009 1 1025 . 1 . 1 115 115 GLY HA3 H 1 2.93 . . . . . . . . 115 GLY HA3 . 52009 1 1026 . 1 . 1 115 115 GLY CA C 13 45.63 . . . . . . . . 115 GLY CA . 52009 1 1027 . 1 . 1 115 115 GLY N N 15 113.402 . . . . . . . . 115 GLY N . 52009 1 1028 . 1 . 1 116 116 ASN H H 1 8.864 . . . . . . . . 116 ASN H . 52009 1 1029 . 1 . 1 116 116 ASN HA H 1 5.639 . . . . . . . . 116 ASN HA . 52009 1 1030 . 1 . 1 116 116 ASN HB2 H 1 2.187 . . . . . . . . 116 ASN HB2 . 52009 1 1031 . 1 . 1 116 116 ASN HB3 H 1 2.506 . . . . . . . . 116 ASN HB3 . 52009 1 1032 . 1 . 1 116 116 ASN CA C 13 51.509 . . . . . . . . 116 ASN CA . 52009 1 1033 . 1 . 1 116 116 ASN CB C 13 41.391 . . . . . . . . 116 ASN CB . 52009 1 1034 . 1 . 1 116 116 ASN N N 15 121.46 . . . . . . . . 116 ASN N . 52009 1 1035 . 1 . 1 117 117 LYS H H 1 7.361 . . . . . . . . 117 LYS H . 52009 1 1036 . 1 . 1 117 117 LYS HA H 1 4.338 . . . . . . . . 117 LYS HA . 52009 1 1037 . 1 . 1 117 117 LYS HB2 H 1 2.107 . . . . . . . . 117 LYS QB . 52009 1 1038 . 1 . 1 117 117 LYS HB3 H 1 2.107 . . . . . . . . 117 LYS QB . 52009 1 1039 . 1 . 1 117 117 LYS HD2 H 1 1.63 . . . . . . . . 117 LYS HD2 . 52009 1 1040 . 1 . 1 117 117 LYS HD3 H 1 2.391 . . . . . . . . 117 LYS HD3 . 52009 1 1041 . 1 . 1 117 117 LYS CA C 13 57.252 . . . . . . . . 117 LYS CA . 52009 1 1042 . 1 . 1 117 117 LYS CB C 13 32.641 . . . . . . . . 117 LYS CB . 52009 1 1043 . 1 . 1 117 117 LYS CD C 13 29.694 . . . . . . . . 117 LYS CD . 52009 1 1044 . 1 . 1 117 117 LYS N N 15 112.206 . . . . . . . . 117 LYS N . 52009 1 1045 . 1 . 1 118 118 CYS H H 1 8.713 . . . . . . . . 118 CYS H . 52009 1 1046 . 1 . 1 118 118 CYS HA H 1 4.285 . . . . . . . . 118 CYS HA . 52009 1 1047 . 1 . 1 118 118 CYS HB2 H 1 2.585 . . . . . . . . 118 CYS HB2 . 52009 1 1048 . 1 . 1 118 118 CYS HB3 H 1 3.063 . . . . . . . . 118 CYS HB3 . 52009 1 1049 . 1 . 1 118 118 CYS CA C 13 61.08 . . . . . . . . 118 CYS CA . 52009 1 1050 . 1 . 1 118 118 CYS CB C 13 26.351 . . . . . . . . 118 CYS CB . 52009 1 1051 . 1 . 1 118 118 CYS N N 15 114.041 . . . . . . . . 118 CYS N . 52009 1 1052 . 1 . 1 119 119 ASP H H 1 8.649 . . . . . . . . 119 ASP H . 52009 1 1053 . 1 . 1 119 119 ASP HA H 1 4.497 . . . . . . . . 119 ASP HA . 52009 1 1054 . 1 . 1 119 119 ASP HB2 H 1 2.619 . . . . . . . . 119 ASP HB2 . 52009 1 1055 . 1 . 1 119 119 ASP CA C 13 53.97 . . . . . . . . 119 ASP CA . 52009 1 1056 . 1 . 1 119 119 ASP CB C 13 41.555 . . . . . . . . 119 ASP CB . 52009 1 1057 . 1 . 1 119 119 ASP N N 15 117.09 . . . . . . . . 119 ASP N . 52009 1 1058 . 1 . 1 120 120 LEU H H 1 7.835 . . . . . . . . 120 LEU H . 52009 1 1059 . 1 . 1 120 120 LEU HA H 1 4.497 . . . . . . . . 120 LEU HA . 52009 1 1060 . 1 . 1 120 120 LEU HB2 H 1 1.443 . . . . . . . . 120 LEU HB2 . 52009 1 1061 . 1 . 1 120 120 LEU HB3 H 1 1.948 . . . . . . . . 120 LEU HB3 . 52009 1 1062 . 1 . 1 120 120 LEU HG H 1 1.762 . . . . . . . . 120 LEU HG . 52009 1 1063 . 1 . 1 120 120 LEU HD11 H 1 0.899 . . . . . . . . 120 LEU QD1 . 52009 1 1064 . 1 . 1 120 120 LEU HD12 H 1 0.899 . . . . . . . . 120 LEU QD1 . 52009 1 1065 . 1 . 1 120 120 LEU HD13 H 1 0.899 . . . . . . . . 120 LEU QD1 . 52009 1 1066 . 1 . 1 120 120 LEU CA C 13 53.15 . . . . . . . . 120 LEU CA . 52009 1 1067 . 1 . 1 120 120 LEU CB C 13 41.665 . . . . . . . . 120 LEU CB . 52009 1 1068 . 1 . 1 120 120 LEU CG C 13 26.351 . . . . . . . . 120 LEU CG . 52009 1 1069 . 1 . 1 120 120 LEU CD1 C 13 24.573 . . . . . . . . 120 LEU CD1 . 52009 1 1070 . 1 . 1 120 120 LEU N N 15 121.609 . . . . . . . . 120 LEU N . 52009 1 1071 . 1 . 1 121 121 PRO HA H 1 4.553 . . . . . . . . 121 PRO HA . 52009 1 1072 . 1 . 1 121 121 PRO HB2 H 1 2.108 . . . . . . . . 121 PRO HB2 . 52009 1 1073 . 1 . 1 121 121 PRO HB3 H 1 2.268 . . . . . . . . 121 PRO HB3 . 52009 1 1074 . 1 . 1 121 121 PRO HG2 H 1 2.117 . . . . . . . . 121 PRO HG2 . 52009 1 1075 . 1 . 1 121 121 PRO HG3 H 1 2.002 . . . . . . . . 121 PRO HG3 . 52009 1 1076 . 1 . 1 121 121 PRO HD2 H 1 3.862 . . . . . . . . 121 PRO QD . 52009 1 1077 . 1 . 1 121 121 PRO HD3 H 1 3.862 . . . . . . . . 121 PRO QD . 52009 1 1078 . 1 . 1 121 121 PRO CA C 13 63.382 . . . . . . . . 121 PRO CA . 52009 1 1079 . 1 . 1 121 121 PRO CB C 13 31.882 . . . . . . . . 121 PRO CB . 52009 1 1080 . 1 . 1 121 121 PRO CG C 13 26.955 . . . . . . . . 121 PRO CG . 52009 1 1081 . 1 . 1 121 121 PRO CD C 13 50.508 . . . . . . . . 121 PRO CD . 52009 1 1082 . 1 . 1 122 122 SER H H 1 7.279 . . . . . . . . 122 SER H . 52009 1 1083 . 1 . 1 122 122 SER HA H 1 4.55 . . . . . . . . 122 SER HA . 52009 1 1084 . 1 . 1 122 122 SER HB2 H 1 3.807 . . . . . . . . 122 SER HB2 . 52009 1 1085 . 1 . 1 122 122 SER HB3 H 1 3.939 . . . . . . . . 122 SER HB3 . 52009 1 1086 . 1 . 1 122 122 SER CA C 13 56.432 . . . . . . . . 122 SER CA . 52009 1 1087 . 1 . 1 122 122 SER CB C 13 62.584 . . . . . . . . 122 SER CB . 52009 1 1088 . 1 . 1 122 122 SER N N 15 113.242 . . . . . . . . 122 SER N . 52009 1 1089 . 1 . 1 123 123 ARG H H 1 7.843 . . . . . . . . 123 ARG H . 52009 1 1090 . 1 . 1 123 123 ARG HA H 1 4.099 . . . . . . . . 123 ARG HA . 52009 1 1091 . 1 . 1 123 123 ARG HB2 H 1 1.709 . . . . . . . . 123 ARG HB2 . 52009 1 1092 . 1 . 1 123 123 ARG HB3 H 1 1.868 . . . . . . . . 123 ARG HB3 . 52009 1 1093 . 1 . 1 123 123 ARG HG2 H 1 1.443 . . . . . . . . 123 ARG HG2 . 52009 1 1094 . 1 . 1 123 123 ARG CA C 13 55.885 . . . . . . . . 123 ARG CA . 52009 1 1095 . 1 . 1 123 123 ARG CB C 13 32.641 . . . . . . . . 123 ARG CB . 52009 1 1096 . 1 . 1 123 123 ARG CG C 13 26.625 . . . . . . . . 123 ARG CG . 52009 1 1097 . 1 . 1 123 123 ARG N N 15 120.211 . . . . . . . . 123 ARG N . 52009 1 1098 . 1 . 1 124 124 THR H H 1 9.098 . . . . . . . . 124 THR H . 52009 1 1099 . 1 . 1 124 124 THR HA H 1 4.524 . . . . . . . . 124 THR HA . 52009 1 1100 . 1 . 1 124 124 THR HB H 1 4.264 . . . . . . . . 124 THR HB . 52009 1 1101 . 1 . 1 124 124 THR HG21 H 1 1.125 . . . . . . . . 124 THR QG2 . 52009 1 1102 . 1 . 1 124 124 THR HG22 H 1 1.125 . . . . . . . . 124 THR QG2 . 52009 1 1103 . 1 . 1 124 124 THR HG23 H 1 1.125 . . . . . . . . 124 THR QG2 . 52009 1 1104 . 1 . 1 124 124 THR CA C 13 61.901 . . . . . . . . 124 THR CA . 52009 1 1105 . 1 . 1 124 124 THR CB C 13 69.197 . . . . . . . . 124 THR CB . 52009 1 1106 . 1 . 1 124 124 THR CG2 C 13 22.523 . . . . . . . . 124 THR CG2 . 52009 1 1107 . 1 . 1 124 124 THR N N 15 114.372 . . . . . . . . 124 THR N . 52009 1 1108 . 1 . 1 125 125 VAL H H 1 7.563 . . . . . . . . 125 VAL H . 52009 1 1109 . 1 . 1 125 125 VAL HA H 1 3.966 . . . . . . . . 125 VAL HA . 52009 1 1110 . 1 . 1 125 125 VAL HB H 1 1.815 . . . . . . . . 125 VAL HB . 52009 1 1111 . 1 . 1 125 125 VAL HG11 H 1 -0.15 . . . . . . . . 125 VAL QG1 . 52009 1 1112 . 1 . 1 125 125 VAL HG12 H 1 -0.15 . . . . . . . . 125 VAL QG1 . 52009 1 1113 . 1 . 1 125 125 VAL HG13 H 1 -0.15 . . . . . . . . 125 VAL QG1 . 52009 1 1114 . 1 . 1 125 125 VAL HG21 H 1 0.673 . . . . . . . . 125 VAL QG2 . 52009 1 1115 . 1 . 1 125 125 VAL HG22 H 1 0.673 . . . . . . . . 125 VAL QG2 . 52009 1 1116 . 1 . 1 125 125 VAL HG23 H 1 0.673 . . . . . . . . 125 VAL QG2 . 52009 1 1117 . 1 . 1 125 125 VAL CA C 13 61.354 . . . . . . . . 125 VAL CA . 52009 1 1118 . 1 . 1 125 125 VAL CB C 13 33.188 . . . . . . . . 125 VAL CB . 52009 1 1119 . 1 . 1 125 125 VAL CG1 C 13 19.241 . . . . . . . . 125 VAL CG1 . 52009 1 1120 . 1 . 1 125 125 VAL CG2 C 13 20.062 . . . . . . . . 125 VAL CG2 . 52009 1 1121 . 1 . 1 125 125 VAL N N 15 124.19 . . . . . . . . 125 VAL N . 52009 1 1122 . 1 . 1 126 126 ASP H H 1 8.608 . . . . . . . . 126 ASP H . 52009 1 1123 . 1 . 1 126 126 ASP HA H 1 4.524 . . . . . . . . 126 ASP HA . 52009 1 1124 . 1 . 1 126 126 ASP HB2 H 1 2.691 . . . . . . . . 126 ASP HB2 . 52009 1 1125 . 1 . 1 126 126 ASP CA C 13 54.244 . . . . . . . . 126 ASP CA . 52009 1 1126 . 1 . 1 126 126 ASP CB C 13 42.212 . . . . . . . . 126 ASP CB . 52009 1 1127 . 1 . 1 126 126 ASP N N 15 128.426 . . . . . . . . 126 ASP N . 52009 1 1128 . 1 . 1 127 127 THR H H 1 8.743 . . . . . . . . 127 THR H . 52009 1 1129 . 1 . 1 127 127 THR HA H 1 3.78 . . . . . . . . 127 THR HA . 52009 1 1130 . 1 . 1 127 127 THR HB H 1 4.019 . . . . . . . . 127 THR HB . 52009 1 1131 . 1 . 1 127 127 THR HG21 H 1 1.337 . . . . . . . . 127 THR QG2 . 52009 1 1132 . 1 . 1 127 127 THR HG22 H 1 1.337 . . . . . . . . 127 THR QG2 . 52009 1 1133 . 1 . 1 127 127 THR HG23 H 1 1.337 . . . . . . . . 127 THR QG2 . 52009 1 1134 . 1 . 1 127 127 THR CA C 13 67.37 . . . . . . . . 127 THR CA . 52009 1 1135 . 1 . 1 127 127 THR CB C 13 69.284 . . . . . . . . 127 THR CB . 52009 1 1136 . 1 . 1 127 127 THR CG2 C 13 22.249 . . . . . . . . 127 THR CG2 . 52009 1 1137 . 1 . 1 127 127 THR N N 15 121.499 . . . . . . . . 127 THR N . 52009 1 1138 . 1 . 1 128 128 LYS H H 1 8.415 . . . . . . . . 128 LYS H . 52009 1 1139 . 1 . 1 128 128 LYS HA H 1 4.019 . . . . . . . . 128 LYS HA . 52009 1 1140 . 1 . 1 128 128 LYS HB2 H 1 1.815 . . . . . . . . 128 LYS HB2 . 52009 1 1141 . 1 . 1 128 128 LYS HG2 H 1 1.417 . . . . . . . . 128 LYS HG2 . 52009 1 1142 . 1 . 1 128 128 LYS HE2 H 1 2.665 . . . . . . . . 128 LYS QE . 52009 1 1143 . 1 . 1 128 128 LYS HE3 H 1 2.665 . . . . . . . . 128 LYS QE . 52009 1 1144 . 1 . 1 128 128 LYS CA C 13 59.44 . . . . . . . . 128 LYS CA . 52009 1 1145 . 1 . 1 128 128 LYS CB C 13 32.094 . . . . . . . . 128 LYS CB . 52009 1 1146 . 1 . 1 128 128 LYS CG C 13 24.984 . . . . . . . . 128 LYS CG . 52009 1 1147 . 1 . 1 128 128 LYS CE C 13 42.212 . . . . . . . . 128 LYS CE . 52009 1 1148 . 1 . 1 128 128 LYS N N 15 120.355 . . . . . . . . 128 LYS N . 52009 1 1149 . 1 . 1 129 129 GLN H H 1 7.338 . . . . . . . . 129 GLN H . 52009 1 1150 . 1 . 1 129 129 GLN HA H 1 4.046 . . . . . . . . 129 GLN HA . 52009 1 1151 . 1 . 1 129 129 GLN HB2 H 1 1.895 . . . . . . . . 129 GLN HB2 . 52009 1 1152 . 1 . 1 129 129 GLN HB3 H 1 2.054 . . . . . . . . 129 GLN HB3 . 52009 1 1153 . 1 . 1 129 129 GLN HG2 H 1 2.321 . . . . . . . . 129 GLN HG2 . 52009 1 1154 . 1 . 1 129 129 GLN HG3 H 1 2.399 . . . . . . . . 129 GLN HG3 . 52009 1 1155 . 1 . 1 129 129 GLN CA C 13 58.619 . . . . . . . . 129 GLN CA . 52009 1 1156 . 1 . 1 129 129 GLN CB C 13 28.812 . . . . . . . . 129 GLN CB . 52009 1 1157 . 1 . 1 129 129 GLN CG C 13 34.555 . . . . . . . . 129 GLN CG . 52009 1 1158 . 1 . 1 129 129 GLN N N 15 117.458 . . . . . . . . 129 GLN N . 52009 1 1159 . 1 . 1 130 130 ALA H H 1 7.115 . . . . . . . . 130 ALA H . 52009 1 1160 . 1 . 1 130 130 ALA HA H 1 3.86 . . . . . . . . 130 ALA HA . 52009 1 1161 . 1 . 1 130 130 ALA HB1 H 1 0.7 . . . . . . . . 130 ALA HB# . 52009 1 1162 . 1 . 1 130 130 ALA HB2 H 1 0.7 . . . . . . . . 130 ALA HB# . 52009 1 1163 . 1 . 1 130 130 ALA HB3 H 1 0.7 . . . . . . . . 130 ALA HB# . 52009 1 1164 . 1 . 1 130 130 ALA CA C 13 55.064 . . . . . . . . 130 ALA CA . 52009 1 1165 . 1 . 1 130 130 ALA CB C 13 18.968 . . . . . . . . 130 ALA CB . 52009 1 1166 . 1 . 1 130 130 ALA N N 15 122.509 . . . . . . . . 130 ALA N . 52009 1 1167 . 1 . 1 131 131 GLN H H 1 8.442 . . . . . . . . 131 GLN H . 52009 1 1168 . 1 . 1 131 131 GLN HA H 1 3.727 . . . . . . . . 131 GLN HA . 52009 1 1169 . 1 . 1 131 131 GLN HB2 H 1 2.028 . . . . . . . . 131 GLN HB2 . 52009 1 1170 . 1 . 1 131 131 GLN HB3 H 1 2.24 . . . . . . . . 131 GLN HB3 . 52009 1 1171 . 1 . 1 131 131 GLN HG2 H 1 2.559 . . . . . . . . 131 GLN HG2 . 52009 1 1172 . 1 . 1 131 131 GLN CA C 13 59.166 . . . . . . . . 131 GLN CA . 52009 1 1173 . 1 . 1 131 131 GLN CB C 13 28.539 . . . . . . . . 131 GLN CB . 52009 1 1174 . 1 . 1 131 131 GLN CG C 13 34.555 . . . . . . . . 131 GLN CG . 52009 1 1175 . 1 . 1 131 131 GLN N N 15 117.901 . . . . . . . . 131 GLN N . 52009 1 1176 . 1 . 1 132 132 ASP H H 1 8.509 . . . . . . . . 132 ASP H . 52009 1 1177 . 1 . 1 132 132 ASP HA H 1 4.364 . . . . . . . . 132 ASP HA . 52009 1 1178 . 1 . 1 132 132 ASP HB2 H 1 2.559 . . . . . . . . 132 ASP HB2 . 52009 1 1179 . 1 . 1 132 132 ASP HB3 H 1 2.745 . . . . . . . . 132 ASP HB3 . 52009 1 1180 . 1 . 1 132 132 ASP CA C 13 57.252 . . . . . . . . 132 ASP CA . 52009 1 1181 . 1 . 1 132 132 ASP CB C 13 39.751 . . . . . . . . 132 ASP CB . 52009 1 1182 . 1 . 1 132 132 ASP N N 15 120.384 . . . . . . . . 132 ASP N . 52009 1 1183 . 1 . 1 133 133 LEU H H 1 7.546 . . . . . . . . 133 LEU H . 52009 1 1184 . 1 . 1 133 133 LEU HA H 1 3.86 . . . . . . . . 133 LEU HA . 52009 1 1185 . 1 . 1 133 133 LEU HB2 H 1 1.443 . . . . . . . . 133 LEU HB2 . 52009 1 1186 . 1 . 1 133 133 LEU HB3 H 1 1.736 . . . . . . . . 133 LEU HB3 . 52009 1 1187 . 1 . 1 133 133 LEU HD11 H 1 0.461 . . . . . . . . 133 LEU QD1 . 52009 1 1188 . 1 . 1 133 133 LEU HD12 H 1 0.461 . . . . . . . . 133 LEU QD1 . 52009 1 1189 . 1 . 1 133 133 LEU HD13 H 1 0.461 . . . . . . . . 133 LEU QD1 . 52009 1 1190 . 1 . 1 133 133 LEU HD21 H 1 0.488 . . . . . . . . 133 LEU QD2 . 52009 1 1191 . 1 . 1 133 133 LEU HD22 H 1 0.488 . . . . . . . . 133 LEU QD2 . 52009 1 1192 . 1 . 1 133 133 LEU HD23 H 1 0.488 . . . . . . . . 133 LEU QD2 . 52009 1 1193 . 1 . 1 133 133 LEU CA C 13 57.799 . . . . . . . . 133 LEU CA . 52009 1 1194 . 1 . 1 133 133 LEU CB C 13 41.665 . . . . . . . . 133 LEU CB . 52009 1 1195 . 1 . 1 133 133 LEU CD1 C 13 26.078 . . . . . . . . 133 LEU CD1 . 52009 1 1196 . 1 . 1 133 133 LEU CD2 C 13 23.07 . . . . . . . . 133 LEU CD2 . 52009 1 1197 . 1 . 1 133 133 LEU N N 15 123.63 . . . . . . . . 133 LEU N . 52009 1 1198 . 1 . 1 134 134 ALA H H 1 8.274 . . . . . . . . 134 ALA H . 52009 1 1199 . 1 . 1 134 134 ALA HA H 1 3.809 . . . . . . . . 134 ALA HA . 52009 1 1200 . 1 . 1 134 134 ALA HB1 H 1 1.736 . . . . . . . . 134 ALA HB# . 52009 1 1201 . 1 . 1 134 134 ALA HB2 H 1 1.736 . . . . . . . . 134 ALA HB# . 52009 1 1202 . 1 . 1 134 134 ALA HB3 H 1 1.736 . . . . . . . . 134 ALA HB# . 52009 1 1203 . 1 . 1 134 134 ALA CA C 13 55.986 . . . . . . . . 134 ALA CA . 52009 1 1204 . 1 . 1 134 134 ALA CB C 13 18.421 . . . . . . . . 134 ALA CB . 52009 1 1205 . 1 . 1 134 134 ALA N N 15 121.573 . . . . . . . . 134 ALA N . 52009 1 1206 . 1 . 1 135 135 ARG H H 1 8.464 . . . . . . . . 135 ARG H . 52009 1 1207 . 1 . 1 135 135 ARG HA H 1 4.178 . . . . . . . . 135 ARG HA . 52009 1 1208 . 1 . 1 135 135 ARG HB2 H 1 2.001 . . . . . . . . 135 ARG HB2 . 52009 1 1209 . 1 . 1 135 135 ARG HG2 H 1 1.656 . . . . . . . . 135 ARG HG2 . 52009 1 1210 . 1 . 1 135 135 ARG HG3 H 1 1.815 . . . . . . . . 135 ARG HG3 . 52009 1 1211 . 1 . 1 135 135 ARG HD2 H 1 3.276 . . . . . . . . 135 ARG HD2 . 52009 1 1212 . 1 . 1 135 135 ARG CA C 13 59.44 . . . . . . . . 135 ARG CA . 52009 1 1213 . 1 . 1 135 135 ARG CB C 13 29.906 . . . . . . . . 135 ARG CB . 52009 1 1214 . 1 . 1 135 135 ARG CG C 13 27.855 . . . . . . . . 135 ARG CG . 52009 1 1215 . 1 . 1 135 135 ARG CD C 13 43.306 . . . . . . . . 135 ARG CD . 52009 1 1216 . 1 . 1 135 135 ARG N N 15 118.192 . . . . . . . . 135 ARG N . 52009 1 1217 . 1 . 1 136 136 SER H H 1 7.952 . . . . . . . . 136 SER H . 52009 1 1218 . 1 . 1 136 136 SER HA H 1 4.258 . . . . . . . . 136 SER HA . 52009 1 1219 . 1 . 1 136 136 SER HB2 H 1 3.939 . . . . . . . . 136 SER HB2 . 52009 1 1220 . 1 . 1 136 136 SER CA C 13 61.627 . . . . . . . . 136 SER CA . 52009 1 1221 . 1 . 1 136 136 SER CB C 13 62.448 . . . . . . . . 136 SER CB . 52009 1 1222 . 1 . 1 136 136 SER N N 15 117.679 . . . . . . . . 136 SER N . 52009 1 1223 . 1 . 1 137 137 TYR H H 1 7.607 . . . . . . . . 137 TYR H . 52009 1 1224 . 1 . 1 137 137 TYR HA H 1 4.922 . . . . . . . . 137 TYR HA . 52009 1 1225 . 1 . 1 137 137 TYR HB2 H 1 3.09 . . . . . . . . 137 TYR HB2 . 52009 1 1226 . 1 . 1 137 137 TYR HB3 H 1 3.249 . . . . . . . . 137 TYR HB3 . 52009 1 1227 . 1 . 1 137 137 TYR CA C 13 54.791 . . . . . . . . 137 TYR CA . 52009 1 1228 . 1 . 1 137 137 TYR CB C 13 38.93 . . . . . . . . 137 TYR CB . 52009 1 1229 . 1 . 1 137 137 TYR N N 15 119.784 . . . . . . . . 137 TYR N . 52009 1 1230 . 1 . 1 138 138 GLY H H 1 8.312 . . . . . . . . 138 GLY H . 52009 1 1231 . 1 . 1 138 138 GLY HA2 H 1 3.993 . . . . . . . . 138 GLY HA2 . 52009 1 1232 . 1 . 1 138 138 GLY HA3 H 1 4.178 . . . . . . . . 138 GLY HA3 . 52009 1 1233 . 1 . 1 138 138 GLY CA C 13 46.587 . . . . . . . . 138 GLY CA . 52009 1 1234 . 1 . 1 138 138 GLY N N 15 110.915 . . . . . . . . 138 GLY N . 52009 1 1235 . 1 . 1 139 139 ILE H H 1 8.046 . . . . . . . . 139 ILE H . 52009 1 1236 . 1 . 1 139 139 ILE HA H 1 5.241 . . . . . . . . 139 ILE HA . 52009 1 1237 . 1 . 1 139 139 ILE HG21 H 1 0.965 . . . . . . . . 139 ILE QG2 . 52009 1 1238 . 1 . 1 139 139 ILE HG22 H 1 0.965 . . . . . . . . 139 ILE QG2 . 52009 1 1239 . 1 . 1 139 139 ILE HG23 H 1 0.965 . . . . . . . . 139 ILE QG2 . 52009 1 1240 . 1 . 1 139 139 ILE HD11 H 1 0.886 . . . . . . . . 139 ILE QD1 . 52009 1 1241 . 1 . 1 139 139 ILE HD12 H 1 0.886 . . . . . . . . 139 ILE QD1 . 52009 1 1242 . 1 . 1 139 139 ILE HD13 H 1 0.886 . . . . . . . . 139 ILE QD1 . 52009 1 1243 . 1 . 1 139 139 ILE CA C 13 58.346 . . . . . . . . 139 ILE CA . 52009 1 1244 . 1 . 1 139 139 ILE CG2 C 13 18.147 . . . . . . . . 139 ILE CG2 . 52009 1 1245 . 1 . 1 139 139 ILE CD1 C 13 15.139 . . . . . . . . 139 ILE CD1 . 52009 1 1246 . 1 . 1 139 139 ILE N N 15 112.843 . . . . . . . . 139 ILE N . 52009 1 1247 . 1 . 1 140 140 PRO HA H 1 4.659 . . . . . . . . 140 PRO HA . 52009 1 1248 . 1 . 1 140 140 PRO HB2 H 1 2.533 . . . . . . . . 140 PRO HB2 . 52009 1 1249 . 1 . 1 140 140 PRO HB3 H 1 1.683 . . . . . . . . 140 PRO HB3 . 52009 1 1250 . 1 . 1 140 140 PRO CA C 13 62.287 . . . . . . . . 140 PRO CA . 52009 1 1251 . 1 . 1 140 140 PRO CB C 13 32.977 . . . . . . . . 140 PRO CB . 52009 1 1252 . 1 . 1 141 141 PHE H H 1 8.292 . . . . . . . . 141 PHE H . 52009 1 1253 . 1 . 1 141 141 PHE HA H 1 6.143 . . . . . . . . 141 PHE HA . 52009 1 1254 . 1 . 1 141 141 PHE HB2 H 1 2.794 . . . . . . . . 141 PHE HB2 . 52009 1 1255 . 1 . 1 141 141 PHE HB3 H 1 3.096 . . . . . . . . 141 PHE HB3 . 52009 1 1256 . 1 . 1 141 141 PHE CA C 13 54.791 . . . . . . . . 141 PHE CA . 52009 1 1257 . 1 . 1 141 141 PHE CB C 13 42.312 . . . . . . . . 141 PHE CB . 52009 1 1258 . 1 . 1 141 141 PHE N N 15 119.976 . . . . . . . . 141 PHE N . 52009 1 1259 . 1 . 1 142 142 ILE H H 1 8.377 . . . . . . . . 142 ILE H . 52009 1 1260 . 1 . 1 142 142 ILE HA H 1 3.886 . . . . . . . . 142 ILE HA . 52009 1 1261 . 1 . 1 142 142 ILE HB H 1 1.338 . . . . . . . . 142 ILE HB . 52009 1 1262 . 1 . 1 142 142 ILE HG12 H 1 1.072 . . . . . . . . 142 ILE HG12 . 52009 1 1263 . 1 . 1 142 142 ILE HG13 H 1 1.258 . . . . . . . . 142 ILE HG13 . 52009 1 1264 . 1 . 1 142 142 ILE HG21 H 1 0.673 . . . . . . . . 142 ILE QG2 . 52009 1 1265 . 1 . 1 142 142 ILE HG22 H 1 0.673 . . . . . . . . 142 ILE QG2 . 52009 1 1266 . 1 . 1 142 142 ILE HG23 H 1 0.673 . . . . . . . . 142 ILE QG2 . 52009 1 1267 . 1 . 1 142 142 ILE HD11 H 1 0.726 . . . . . . . . 142 ILE QD1 . 52009 1 1268 . 1 . 1 142 142 ILE HD12 H 1 0.726 . . . . . . . . 142 ILE QD1 . 52009 1 1269 . 1 . 1 142 142 ILE HD13 H 1 0.726 . . . . . . . . 142 ILE QD1 . 52009 1 1270 . 1 . 1 142 142 ILE CA C 13 59.44 . . . . . . . . 142 ILE CA . 52009 1 1271 . 1 . 1 142 142 ILE CB C 13 42.585 . . . . . . . . 142 ILE CB . 52009 1 1272 . 1 . 1 142 142 ILE CG1 C 13 28.539 . . . . . . . . 142 ILE CG1 . 52009 1 1273 . 1 . 1 142 142 ILE CG2 C 13 17.327 . . . . . . . . 142 ILE CG2 . 52009 1 1274 . 1 . 1 142 142 ILE CD1 C 13 13.772 . . . . . . . . 142 ILE CD1 . 52009 1 1275 . 1 . 1 142 142 ILE N N 15 129.95 . . . . . . . . 142 ILE N . 52009 1 1276 . 1 . 1 143 143 GLU H H 1 7.793 . . . . . . . . 143 GLU H . 52009 1 1277 . 1 . 1 143 143 GLU HA H 1 4.709 . . . . . . . . 143 GLU HA . 52009 1 1278 . 1 . 1 143 143 GLU HB2 H 1 1.682 . . . . . . . . 143 GLU HB2 . 52009 1 1279 . 1 . 1 143 143 GLU HB3 H 1 2.081 . . . . . . . . 143 GLU HB3 . 52009 1 1280 . 1 . 1 143 143 GLU HG2 H 1 2.107 . . . . . . . . 143 GLU HG2 . 52009 1 1281 . 1 . 1 143 143 GLU HG3 H 1 2.293 . . . . . . . . 143 GLU HG3 . 52009 1 1282 . 1 . 1 143 143 GLU CA C 13 55.338 . . . . . . . . 143 GLU CA . 52009 1 1283 . 1 . 1 143 143 GLU CB C 13 31 . . . . . . . . 143 GLU CB . 52009 1 1284 . 1 . 1 143 143 GLU CG C 13 39.204 . . . . . . . . 143 GLU CG . 52009 1 1285 . 1 . 1 143 143 GLU N N 15 124.854 . . . . . . . . 143 GLU N . 52009 1 1286 . 1 . 1 144 144 THR H H 1 8.821 . . . . . . . . 144 THR H . 52009 1 1287 . 1 . 1 144 144 THR HA H 1 5.081 . . . . . . . . 144 THR HA . 52009 1 1288 . 1 . 1 144 144 THR HB H 1 3.939 . . . . . . . . 144 THR HB . 52009 1 1289 . 1 . 1 144 144 THR HG21 H 1 0.673 . . . . . . . . 144 THR QG2 . 52009 1 1290 . 1 . 1 144 144 THR HG22 H 1 0.673 . . . . . . . . 144 THR QG2 . 52009 1 1291 . 1 . 1 144 144 THR HG23 H 1 0.673 . . . . . . . . 144 THR QG2 . 52009 1 1292 . 1 . 1 144 144 THR CA C 13 59.713 . . . . . . . . 144 THR CA . 52009 1 1293 . 1 . 1 144 144 THR CB C 13 73.933 . . . . . . . . 144 THR CB . 52009 1 1294 . 1 . 1 144 144 THR CG2 C 13 22.249 . . . . . . . . 144 THR CG2 . 52009 1 1295 . 1 . 1 144 144 THR N N 15 111.925 . . . . . . . . 144 THR N . 52009 1 1296 . 1 . 1 145 145 SER H H 1 8.78 . . . . . . . . 145 SER H . 52009 1 1297 . 1 . 1 145 145 SER HA H 1 4.895 . . . . . . . . 145 SER HA . 52009 1 1298 . 1 . 1 145 145 SER HB2 H 1 4.019 . . . . . . . . 145 SER HB2 . 52009 1 1299 . 1 . 1 145 145 SER CA C 13 57.525 . . . . . . . . 145 SER CA . 52009 1 1300 . 1 . 1 145 145 SER CB C 13 64.635 . . . . . . . . 145 SER CB . 52009 1 1301 . 1 . 1 145 145 SER N N 15 112.333 . . . . . . . . 145 SER N . 52009 1 1302 . 1 . 1 146 146 ALA H H 1 9.195 . . . . . . . . 146 ALA H . 52009 1 1303 . 1 . 1 146 146 ALA HA H 1 3.916 . . . . . . . . 146 ALA HA . 52009 1 1304 . 1 . 1 146 146 ALA HB1 H 1 1.553 . . . . . . . . 146 ALA HB# . 52009 1 1305 . 1 . 1 146 146 ALA HB2 H 1 1.553 . . . . . . . . 146 ALA HB# . 52009 1 1306 . 1 . 1 146 146 ALA HB3 H 1 1.553 . . . . . . . . 146 ALA HB# . 52009 1 1307 . 1 . 1 146 146 ALA CA C 13 54.498 . . . . . . . . 146 ALA CA . 52009 1 1308 . 1 . 1 146 146 ALA CB C 13 18.69 . . . . . . . . 146 ALA CB . 52009 1 1309 . 1 . 1 146 146 ALA N N 15 132.28 . . . . . . . . 146 ALA N . 52009 1 1310 . 1 . 1 147 147 LYS H H 1 7.148 . . . . . . . . 147 LYS H . 52009 1 1311 . 1 . 1 147 147 LYS HA H 1 2.877 . . . . . . . . 147 LYS HA . 52009 1 1312 . 1 . 1 147 147 LYS HB2 H 1 0.461 . . . . . . . . 147 LYS HB2 . 52009 1 1313 . 1 . 1 147 147 LYS HB3 H 1 1.125 . . . . . . . . 147 LYS HB3 . 52009 1 1314 . 1 . 1 147 147 LYS HG2 H 1 0.568 . . . . . . . . 147 LYS HG2 . 52009 1 1315 . 1 . 1 147 147 LYS HG3 H 1 0.727 . . . . . . . . 147 LYS HG3 . 52009 1 1316 . 1 . 1 147 147 LYS CA C 13 58.346 . . . . . . . . 147 LYS CA . 52009 1 1317 . 1 . 1 147 147 LYS CB C 13 33.871 . . . . . . . . 147 LYS CB . 52009 1 1318 . 1 . 1 147 147 LYS CG C 13 24.76 . . . . . . . . 147 LYS CG . 52009 1 1319 . 1 . 1 147 147 LYS N N 15 116.047 . . . . . . . . 147 LYS N . 52009 1 1320 . 1 . 1 148 148 THR H H 1 7.745 . . . . . . . . 148 THR H . 52009 1 1321 . 1 . 1 148 148 THR HA H 1 4.178 . . . . . . . . 148 THR HA . 52009 1 1322 . 1 . 1 148 148 THR HB H 1 4.444 . . . . . . . . 148 THR HB . 52009 1 1323 . 1 . 1 148 148 THR HG21 H 1 1.072 . . . . . . . . 148 THR QG2 . 52009 1 1324 . 1 . 1 148 148 THR HG22 H 1 1.072 . . . . . . . . 148 THR QG2 . 52009 1 1325 . 1 . 1 148 148 THR HG23 H 1 1.072 . . . . . . . . 148 THR QG2 . 52009 1 1326 . 1 . 1 148 148 THR CA C 13 61.354 . . . . . . . . 148 THR CA . 52009 1 1327 . 1 . 1 148 148 THR CB C 13 69.831 . . . . . . . . 148 THR CB . 52009 1 1328 . 1 . 1 148 148 THR CG2 C 13 21.155 . . . . . . . . 148 THR CG2 . 52009 1 1329 . 1 . 1 148 148 THR N N 15 106.285 . . . . . . . . 148 THR N . 52009 1 1330 . 1 . 1 149 149 ARG H H 1 7.81 . . . . . . . . 149 ARG H . 52009 1 1331 . 1 . 1 149 149 ARG HA H 1 3.515 . . . . . . . . 149 ARG HA . 52009 1 1332 . 1 . 1 149 149 ARG HB2 H 1 1.736 . . . . . . . . 149 ARG HB2 . 52009 1 1333 . 1 . 1 149 149 ARG HB3 H 1 2.215 . . . . . . . . 149 ARG HB3 . 52009 1 1334 . 1 . 1 149 149 ARG HG2 H 1 1.204 . . . . . . . . 149 ARG HG2 . 52009 1 1335 . 1 . 1 149 149 ARG HG3 H 1 1.895 . . . . . . . . 149 ARG HG3 . 52009 1 1336 . 1 . 1 149 149 ARG CA C 13 59.166 . . . . . . . . 149 ARG CA . 52009 1 1337 . 1 . 1 149 149 ARG CB C 13 30.179 . . . . . . . . 149 ARG CB . 52009 1 1338 . 1 . 1 149 149 ARG CG C 13 32.778 . . . . . . . . 149 ARG CG . 52009 1 1339 . 1 . 1 149 149 ARG N N 15 118.729 . . . . . . . . 149 ARG N . 52009 1 1340 . 1 . 1 150 150 GLN H H 1 7.829 . . . . . . . . 150 GLN H . 52009 1 1341 . 1 . 1 150 150 GLN HA H 1 4.072 . . . . . . . . 150 GLN HA . 52009 1 1342 . 1 . 1 150 150 GLN HB2 H 1 1.576 . . . . . . . . 150 GLN HB2 . 52009 1 1343 . 1 . 1 150 150 GLN HB3 H 1 2.001 . . . . . . . . 150 GLN HB3 . 52009 1 1344 . 1 . 1 150 150 GLN HG2 H 1 2.107 . . . . . . . . 150 GLN HG2 . 52009 1 1345 . 1 . 1 150 150 GLN HG3 H 1 2.293 . . . . . . . . 150 GLN HG3 . 52009 1 1346 . 1 . 1 150 150 GLN CA C 13 57.525 . . . . . . . . 150 GLN CA . 52009 1 1347 . 1 . 1 150 150 GLN CB C 13 28.539 . . . . . . . . 150 GLN CB . 52009 1 1348 . 1 . 1 150 150 GLN CG C 13 32.778 . . . . . . . . 150 GLN CG . 52009 1 1349 . 1 . 1 150 150 GLN N N 15 124.191 . . . . . . . . 150 GLN N . 52009 1 1350 . 1 . 1 151 151 GLY H H 1 8.921 . . . . . . . . 151 GLY H . 52009 1 1351 . 1 . 1 151 151 GLY HA2 H 1 3.807 . . . . . . . . 151 GLY HA2 . 52009 1 1352 . 1 . 1 151 151 GLY HA3 H 1 4.152 . . . . . . . . 151 GLY HA3 . 52009 1 1353 . 1 . 1 151 151 GLY CA C 13 46.861 . . . . . . . . 151 GLY CA . 52009 1 1354 . 1 . 1 151 151 GLY N N 15 115.196 . . . . . . . . 151 GLY N . 52009 1 1355 . 1 . 1 152 152 VAL H H 1 7.088 . . . . . . . . 152 VAL H . 52009 1 1356 . 1 . 1 152 152 VAL HA H 1 3.223 . . . . . . . . 152 VAL HA . 52009 1 1357 . 1 . 1 152 152 VAL HB H 1 1.815 . . . . . . . . 152 VAL HB . 52009 1 1358 . 1 . 1 152 152 VAL HG11 H 1 0.78 . . . . . . . . 152 VAL QG1 . 52009 1 1359 . 1 . 1 152 152 VAL HG12 H 1 0.78 . . . . . . . . 152 VAL QG1 . 52009 1 1360 . 1 . 1 152 152 VAL HG13 H 1 0.78 . . . . . . . . 152 VAL QG1 . 52009 1 1361 . 1 . 1 152 152 VAL HG21 H 1 0.939 . . . . . . . . 152 VAL QG2 . 52009 1 1362 . 1 . 1 152 152 VAL HG22 H 1 0.939 . . . . . . . . 152 VAL QG2 . 52009 1 1363 . 1 . 1 152 152 VAL HG23 H 1 0.939 . . . . . . . . 152 VAL QG2 . 52009 1 1364 . 1 . 1 152 152 VAL CA C 13 68.464 . . . . . . . . 152 VAL CA . 52009 1 1365 . 1 . 1 152 152 VAL CB C 13 31.547 . . . . . . . . 152 VAL CB . 52009 1 1366 . 1 . 1 152 152 VAL CG1 C 13 24.163 . . . . . . . . 152 VAL CG1 . 52009 1 1367 . 1 . 1 152 152 VAL CG2 C 13 20.882 . . . . . . . . 152 VAL CG2 . 52009 1 1368 . 1 . 1 152 152 VAL N N 15 120.736 . . . . . . . . 152 VAL N . 52009 1 1369 . 1 . 1 153 153 ASP H H 1 8.012 . . . . . . . . 153 ASP H . 52009 1 1370 . 1 . 1 153 153 ASP HA H 1 3.886 . . . . . . . . 153 ASP HA . 52009 1 1371 . 1 . 1 153 153 ASP HB2 H 1 1.842 . . . . . . . . 153 ASP HB2 . 52009 1 1372 . 1 . 1 153 153 ASP HB3 H 1 2.187 . . . . . . . . 153 ASP HB3 . 52009 1 1373 . 1 . 1 153 153 ASP CA C 13 57.525 . . . . . . . . 153 ASP CA . 52009 1 1374 . 1 . 1 153 153 ASP CB C 13 39.34 . . . . . . . . 153 ASP CB . 52009 1 1375 . 1 . 1 153 153 ASP N N 15 117.288 . . . . . . . . 153 ASP N . 52009 1 1376 . 1 . 1 154 154 ASP H H 1 8.091 . . . . . . . . 154 ASP H . 52009 1 1377 . 1 . 1 154 154 ASP HA H 1 4.152 . . . . . . . . 154 ASP HA . 52009 1 1378 . 1 . 1 154 154 ASP HB2 H 1 2.479 . . . . . . . . 154 ASP HB2 . 52009 1 1379 . 1 . 1 154 154 ASP CA C 13 57.252 . . . . . . . . 154 ASP CA . 52009 1 1380 . 1 . 1 154 154 ASP CB C 13 40.246 . . . . . . . . 154 ASP CB . 52009 1 1381 . 1 . 1 154 154 ASP N N 15 116.508 . . . . . . . . 154 ASP N . 52009 1 1382 . 1 . 1 155 155 ALA H H 1 8.666 . . . . . . . . 155 ALA H . 52009 1 1383 . 1 . 1 155 155 ALA HA H 1 3.727 . . . . . . . . 155 ALA HA . 52009 1 1384 . 1 . 1 155 155 ALA HB1 H 1 1.125 . . . . . . . . 155 ALA HB# . 52009 1 1385 . 1 . 1 155 155 ALA HB2 H 1 1.125 . . . . . . . . 155 ALA HB# . 52009 1 1386 . 1 . 1 155 155 ALA HB3 H 1 1.125 . . . . . . . . 155 ALA HB# . 52009 1 1387 . 1 . 1 155 155 ALA CA C 13 56.432 . . . . . . . . 155 ALA CA . 52009 1 1388 . 1 . 1 155 155 ALA CB C 13 17.327 . . . . . . . . 155 ALA CB . 52009 1 1389 . 1 . 1 155 155 ALA N N 15 124.834 . . . . . . . . 155 ALA N . 52009 1 1390 . 1 . 1 156 156 PHE H H 1 7.317 . . . . . . . . 156 PHE H . 52009 1 1391 . 1 . 1 156 156 PHE HA H 1 3.939 . . . . . . . . 156 PHE HA . 52009 1 1392 . 1 . 1 156 156 PHE HB2 H 1 2.691 . . . . . . . . 156 PHE HB2 . 52009 1 1393 . 1 . 1 156 156 PHE HB3 H 1 2.877 . . . . . . . . 156 PHE HB3 . 52009 1 1394 . 1 . 1 156 156 PHE CA C 13 62.995 . . . . . . . . 156 PHE CA . 52009 1 1395 . 1 . 1 156 156 PHE CB C 13 39.477 . . . . . . . . 156 PHE CB . 52009 1 1396 . 1 . 1 156 156 PHE N N 15 113.225 . . . . . . . . 156 PHE N . 52009 1 1397 . 1 . 1 157 157 TYR H H 1 9.61 . . . . . . . . 157 TYR H . 52009 1 1398 . 1 . 1 157 157 TYR HA H 1 4.311 . . . . . . . . 157 TYR HA . 52009 1 1399 . 1 . 1 157 157 TYR HB2 H 1 2.93 . . . . . . . . 157 TYR HB2 . 52009 1 1400 . 1 . 1 157 157 TYR HB3 H 1 3.302 . . . . . . . . 157 TYR HB3 . 52009 1 1401 . 1 . 1 157 157 TYR CA C 13 58.619 . . . . . . . . 157 TYR CA . 52009 1 1402 . 1 . 1 157 157 TYR CB C 13 35.512 . . . . . . . . 157 TYR CB . 52009 1 1403 . 1 . 1 157 157 TYR N N 15 119.838 . . . . . . . . 157 TYR N . 52009 1 1404 . 1 . 1 158 158 THR H H 1 8.591 . . . . . . . . 158 THR H . 52009 1 1405 . 1 . 1 158 158 THR HA H 1 3.885 . . . . . . . . 158 THR HA . 52009 1 1406 . 1 . 1 158 158 THR HB H 1 4.248 . . . . . . . . 158 THR HB . 52009 1 1407 . 1 . 1 158 158 THR HG21 H 1 1.204 . . . . . . . . 158 THR QG2 . 52009 1 1408 . 1 . 1 158 158 THR HG22 H 1 1.204 . . . . . . . . 158 THR QG2 . 52009 1 1409 . 1 . 1 158 158 THR HG23 H 1 1.204 . . . . . . . . 158 THR QG2 . 52009 1 1410 . 1 . 1 158 158 THR CA C 13 67.482 . . . . . . . . 158 THR CA . 52009 1 1411 . 1 . 1 158 158 THR CB C 13 67.998 . . . . . . . . 158 THR CB . 52009 1 1412 . 1 . 1 158 158 THR CG2 C 13 21.429 . . . . . . . . 158 THR CG2 . 52009 1 1413 . 1 . 1 158 158 THR N N 15 116.446 . . . . . . . . 158 THR N . 52009 1 1414 . 1 . 1 159 159 LEU H H 1 7.374 . . . . . . . . 159 LEU H . 52009 1 1415 . 1 . 1 159 159 LEU HA H 1 3.886 . . . . . . . . 159 LEU HA . 52009 1 1416 . 1 . 1 159 159 LEU HB2 H 1 1.231 . . . . . . . . 159 LEU HB2 . 52009 1 1417 . 1 . 1 159 159 LEU HB3 H 1 2.107 . . . . . . . . 159 LEU HB3 . 52009 1 1418 . 1 . 1 159 159 LEU HD11 H 1 0.78 . . . . . . . . 159 LEU QD1 . 52009 1 1419 . 1 . 1 159 159 LEU HD12 H 1 0.78 . . . . . . . . 159 LEU QD1 . 52009 1 1420 . 1 . 1 159 159 LEU HD13 H 1 0.78 . . . . . . . . 159 LEU QD1 . 52009 1 1421 . 1 . 1 159 159 LEU HD21 H 1 0.7 . . . . . . . . 159 LEU QD2 . 52009 1 1422 . 1 . 1 159 159 LEU HD22 H 1 0.7 . . . . . . . . 159 LEU QD2 . 52009 1 1423 . 1 . 1 159 159 LEU HD23 H 1 0.7 . . . . . . . . 159 LEU QD2 . 52009 1 1424 . 1 . 1 159 159 LEU CA C 13 58.072 . . . . . . . . 159 LEU CA . 52009 1 1425 . 1 . 1 159 159 LEU CB C 13 40.297 . . . . . . . . 159 LEU CB . 52009 1 1426 . 1 . 1 159 159 LEU CD1 C 13 22.796 . . . . . . . . 159 LEU CD1 . 52009 1 1427 . 1 . 1 159 159 LEU CD2 C 13 27.445 . . . . . . . . 159 LEU CD2 . 52009 1 1428 . 1 . 1 159 159 LEU N N 15 121.965 . . . . . . . . 159 LEU N . 52009 1 1429 . 1 . 1 160 160 VAL H H 1 7.725 . . . . . . . . 160 VAL H . 52009 1 1430 . 1 . 1 160 160 VAL HA H 1 3.063 . . . . . . . . 160 VAL HA . 52009 1 1431 . 1 . 1 160 160 VAL HB H 1 2.028 . . . . . . . . 160 VAL HB . 52009 1 1432 . 1 . 1 160 160 VAL HG11 H 1 0.673 . . . . . . . . 160 VAL QG1 . 52009 1 1433 . 1 . 1 160 160 VAL HG12 H 1 0.673 . . . . . . . . 160 VAL QG1 . 52009 1 1434 . 1 . 1 160 160 VAL HG13 H 1 0.673 . . . . . . . . 160 VAL QG1 . 52009 1 1435 . 1 . 1 160 160 VAL HG21 H 1 0.116 . . . . . . . . 160 VAL QG2 . 52009 1 1436 . 1 . 1 160 160 VAL HG22 H 1 0.116 . . . . . . . . 160 VAL QG2 . 52009 1 1437 . 1 . 1 160 160 VAL HG23 H 1 0.116 . . . . . . . . 160 VAL QG2 . 52009 1 1438 . 1 . 1 160 160 VAL CA C 13 67.643 . . . . . . . . 160 VAL CA . 52009 1 1439 . 1 . 1 160 160 VAL CB C 13 30.726 . . . . . . . . 160 VAL CB . 52009 1 1440 . 1 . 1 160 160 VAL CG1 C 13 23.616 . . . . . . . . 160 VAL CG1 . 52009 1 1441 . 1 . 1 160 160 VAL CG2 C 13 20.062 . . . . . . . . 160 VAL CG2 . 52009 1 1442 . 1 . 1 160 160 VAL N N 15 119.746 . . . . . . . . 160 VAL N . 52009 1 1443 . 1 . 1 161 161 ARG H H 1 8.138 . . . . . . . . 161 ARG H . 52009 1 1444 . 1 . 1 161 161 ARG HA H 1 3.807 . . . . . . . . 161 ARG HA . 52009 1 1445 . 1 . 1 161 161 ARG HB2 H 1 1.55 . . . . . . . . 161 ARG HB2 . 52009 1 1446 . 1 . 1 161 161 ARG HB3 H 1 1.815 . . . . . . . . 161 ARG HB3 . 52009 1 1447 . 1 . 1 161 161 ARG HD2 H 1 3.143 . . . . . . . . 161 ARG QD . 52009 1 1448 . 1 . 1 161 161 ARG HD3 H 1 3.143 . . . . . . . . 161 ARG QD . 52009 1 1449 . 1 . 1 161 161 ARG CA C 13 60.807 . . . . . . . . 161 ARG CA . 52009 1 1450 . 1 . 1 161 161 ARG CB C 13 29.086 . . . . . . . . 161 ARG CB . 52009 1 1451 . 1 . 1 161 161 ARG CD C 13 43.852 . . . . . . . . 161 ARG CD . 52009 1 1452 . 1 . 1 161 161 ARG N N 15 118.818 . . . . . . . . 161 ARG N . 52009 1 1453 . 1 . 1 162 162 GLU H H 1 8.28 . . . . . . . . 162 GLU H . 52009 1 1454 . 1 . 1 162 162 GLU HA H 1 4.099 . . . . . . . . 162 GLU HA . 52009 1 1455 . 1 . 1 162 162 GLU HB2 H 1 2.24 . . . . . . . . 162 GLU HB2 . 52009 1 1456 . 1 . 1 162 162 GLU HB3 H 1 2.426 . . . . . . . . 162 GLU HB3 . 52009 1 1457 . 1 . 1 162 162 GLU HG2 H 1 2.134 . . . . . . . . 162 GLU HG2 . 52009 1 1458 . 1 . 1 162 162 GLU HG3 H 1 2.506 . . . . . . . . 162 GLU HG3 . 52009 1 1459 . 1 . 1 162 162 GLU CA C 13 58.893 . . . . . . . . 162 GLU CA . 52009 1 1460 . 1 . 1 162 162 GLU CB C 13 30.453 . . . . . . . . 162 GLU CB . 52009 1 1461 . 1 . 1 162 162 GLU CG C 13 37.016 . . . . . . . . 162 GLU CG . 52009 1 1462 . 1 . 1 162 162 GLU N N 15 119.424 . . . . . . . . 162 GLU N . 52009 1 1463 . 1 . 1 163 163 ILE H H 1 8.416 . . . . . . . . 163 ILE H . 52009 1 1464 . 1 . 1 163 163 ILE HA H 1 3.647 . . . . . . . . 163 ILE HA . 52009 1 1465 . 1 . 1 163 163 ILE HB H 1 1.974 . . . . . . . . 163 ILE HB . 52009 1 1466 . 1 . 1 163 163 ILE HG13 H 1 1.815 . . . . . . . . 163 ILE HG13 . 52009 1 1467 . 1 . 1 163 163 ILE HG21 H 1 1.072 . . . . . . . . 163 ILE QG2 . 52009 1 1468 . 1 . 1 163 163 ILE HG22 H 1 1.072 . . . . . . . . 163 ILE QG2 . 52009 1 1469 . 1 . 1 163 163 ILE HG23 H 1 1.072 . . . . . . . . 163 ILE QG2 . 52009 1 1470 . 1 . 1 163 163 ILE HD11 H 1 0.62 . . . . . . . . 163 ILE QD1 . 52009 1 1471 . 1 . 1 163 163 ILE HD12 H 1 0.62 . . . . . . . . 163 ILE QD1 . 52009 1 1472 . 1 . 1 163 163 ILE HD13 H 1 0.62 . . . . . . . . 163 ILE QD1 . 52009 1 1473 . 1 . 1 163 163 ILE CA C 13 66.276 . . . . . . . . 163 ILE CA . 52009 1 1474 . 1 . 1 163 163 ILE CB C 13 38.11 . . . . . . . . 163 ILE CB . 52009 1 1475 . 1 . 1 163 163 ILE CG1 C 13 28.265 . . . . . . . . 163 ILE CG1 . 52009 1 1476 . 1 . 1 163 163 ILE CG2 C 13 18.147 . . . . . . . . 163 ILE CG2 . 52009 1 1477 . 1 . 1 163 163 ILE CD1 C 13 15.686 . . . . . . . . 163 ILE CD1 . 52009 1 1478 . 1 . 1 163 163 ILE N N 15 122.908 . . . . . . . . 163 ILE N . 52009 1 1479 . 1 . 1 164 164 ARG H H 1 8.61 . . . . . . . . 164 ARG H . 52009 1 1480 . 1 . 1 164 164 ARG HA H 1 4.007 . . . . . . . . 164 ARG HA . 52009 1 1481 . 1 . 1 164 164 ARG HB2 H 1 1.948 . . . . . . . . 164 ARG HB2 . 52009 1 1482 . 1 . 1 164 164 ARG HG2 H 1 1.842 . . . . . . . . 164 ARG QG . 52009 1 1483 . 1 . 1 164 164 ARG HG3 H 1 1.842 . . . . . . . . 164 ARG QG . 52009 1 1484 . 1 . 1 164 164 ARG CA C 13 60.204 . . . . . . . . 164 ARG CA . 52009 1 1485 . 1 . 1 164 164 ARG CB C 13 30.726 . . . . . . . . 164 ARG CB . 52009 1 1486 . 1 . 1 164 164 ARG CG C 13 27.445 . . . . . . . . 164 ARG CG . 52009 1 1487 . 1 . 1 164 164 ARG N N 15 119.319 . . . . . . . . 164 ARG N . 52009 1 1488 . 1 . 1 165 165 LYS H H 1 7.799 . . . . . . . . 165 LYS H . 52009 1 1489 . 1 . 1 165 165 LYS HA H 1 4.099 . . . . . . . . 165 LYS HA . 52009 1 1490 . 1 . 1 165 165 LYS HB2 H 1 1.921 . . . . . . . . 165 LYS HB2 . 52009 1 1491 . 1 . 1 165 165 LYS HG2 H 1 1.443 . . . . . . . . 165 LYS HG2 . 52009 1 1492 . 1 . 1 165 165 LYS HG3 H 1 1.603 . . . . . . . . 165 LYS HG3 . 52009 1 1493 . 1 . 1 165 165 LYS HD2 H 1 1.709 . . . . . . . . 165 LYS QD . 52009 1 1494 . 1 . 1 165 165 LYS HD3 H 1 1.709 . . . . . . . . 165 LYS QD . 52009 1 1495 . 1 . 1 165 165 LYS CA C 13 59.166 . . . . . . . . 165 LYS CA . 52009 1 1496 . 1 . 1 165 165 LYS CB C 13 32.641 . . . . . . . . 165 LYS CB . 52009 1 1497 . 1 . 1 165 165 LYS CG C 13 24.984 . . . . . . . . 165 LYS CG . 52009 1 1498 . 1 . 1 165 165 LYS CD C 13 29.633 . . . . . . . . 165 LYS CD . 52009 1 1499 . 1 . 1 165 165 LYS N N 15 117.406 . . . . . . . . 165 LYS N . 52009 1 1500 . 1 . 1 166 166 HIS H H 1 7.823 . . . . . . . . 166 HIS H . 52009 1 1501 . 1 . 1 166 166 HIS HA H 1 4.417 . . . . . . . . 166 HIS HA . 52009 1 1502 . 1 . 1 166 166 HIS HB2 H 1 3.276 . . . . . . . . 166 HIS HB2 . 52009 1 1503 . 1 . 1 166 166 HIS HB3 H 1 3.488 . . . . . . . . 166 HIS HB3 . 52009 1 1504 . 1 . 1 166 166 HIS CA C 13 58.619 . . . . . . . . 166 HIS CA . 52009 1 1505 . 1 . 1 166 166 HIS CB C 13 30.863 . . . . . . . . 166 HIS CB . 52009 1 1506 . 1 . 1 166 166 HIS N N 15 118.488 . . . . . . . . 166 HIS N . 52009 1 1507 . 1 . 1 167 167 LYS H H 1 8.05 . . . . . . . . 167 LYS H . 52009 1 1508 . 1 . 1 167 167 LYS HA H 1 4.285 . . . . . . . . 167 LYS HA . 52009 1 1509 . 1 . 1 167 167 LYS HB2 H 1 2.001 . . . . . . . . 167 LYS HB2 . 52009 1 1510 . 1 . 1 167 167 LYS HG2 H 1 1.603 . . . . . . . . 167 LYS HG2 . 52009 1 1511 . 1 . 1 167 167 LYS HG3 H 1 1.789 . . . . . . . . 167 LYS HG3 . 52009 1 1512 . 1 . 1 167 167 LYS CA C 13 57.525 . . . . . . . . 167 LYS CA . 52009 1 1513 . 1 . 1 167 167 LYS CB C 13 33.188 . . . . . . . . 167 LYS CB . 52009 1 1514 . 1 . 1 167 167 LYS CG C 13 25.257 . . . . . . . . 167 LYS CG . 52009 1 1515 . 1 . 1 167 167 LYS N N 15 118.644 . . . . . . . . 167 LYS N . 52009 1 1516 . 1 . 1 168 168 GLU H H 1 7.823 . . . . . . . . 168 GLU H . 52009 1 1517 . 1 . 1 168 168 GLU HA H 1 4.338 . . . . . . . . 168 GLU HA . 52009 1 1518 . 1 . 1 168 168 GLU HB2 H 1 2.001 . . . . . . . . 168 GLU HB2 . 52009 1 1519 . 1 . 1 168 168 GLU HB3 H 1 2.16 . . . . . . . . 168 GLU HB3 . 52009 1 1520 . 1 . 1 168 168 GLU HG2 H 1 2.293 . . . . . . . . 168 GLU HG2 . 52009 1 1521 . 1 . 1 168 168 GLU HG3 H 1 2.426 . . . . . . . . 168 GLU HG3 . 52009 1 1522 . 1 . 1 168 168 GLU CA C 13 56.705 . . . . . . . . 168 GLU CA . 52009 1 1523 . 1 . 1 168 168 GLU CB C 13 30.179 . . . . . . . . 168 GLU CB . 52009 1 1524 . 1 . 1 168 168 GLU CG C 13 36.469 . . . . . . . . 168 GLU CG . 52009 1 1525 . 1 . 1 168 168 GLU N N 15 119.48 . . . . . . . . 168 GLU N . 52009 1 1526 . 1 . 1 169 169 LYS H H 1 7.571 . . . . . . . . 169 LYS H . 52009 1 1527 . 1 . 1 169 169 LYS N N 15 126.462 . . . . . . . . 169 LYS N . 52009 1 stop_ save_