data_27956 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27956 _Entry.Title ; ILVM methyl chemical shifts for Pyrococcus furiosus Rad50 NBD (L828F) with unlabeled Mre11 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-06-24 _Entry.Accession_date 2019-06-24 _Entry.Last_release_date 2019-06-24 _Entry.Original_release_date 2019-06-24 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _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 Zachary Boswell . K. . . 27956 2 Marella Canny . D. . . 27956 3 Julie Sang . . . . 27956 4 Michael Latham . P. . . 27956 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Latham_Lab; TTU' . 27956 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 27956 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 138 27956 '1H chemical shifts' 411 27956 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 . . 2020-03-27 2019-06-24 update BMRB 'update entry citation' 27956 1 . . 2019-07-23 2019-06-24 original author 'original release' 27956 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27955 'MR complex [Rad50 NBD (wild type) with unlabeled Mre11]' 27956 BMRB 27957 'MR complex [Rad50 NBD (D829N) with unlabeled Mre11]' 27956 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27956 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31889185 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Adjacent mutations in the archaeal Rad50 ABC ATPase D-loop disrupt allosteric regulation of ATP hydrolysis through different mechanisms ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume 48 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 2457 _Citation.Page_last 2472 _Citation.Year 2020 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Zachary Boswell . K. . . 27956 1 2 Marella Canny . D. . . 27956 1 3 Tanner Buschmann . A. . . 27956 1 4 Julie Sang . . . . 27956 1 5 Michael Latham . P. . . 27956 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Allostery 27956 1 'DNA repair' 27956 1 'Methyl-based NMR' 27956 1 Regulation 27956 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27956 _Assembly.ID 1 _Assembly.Name 'MR complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 186400 _Assembly.Enzyme_commission_number . _Assembly.Details 'Two Rad50 NBD subunits bound to a Mre11 dimer' _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 'Rad50NBD (L828F), subunit A' 1 $Pf_Rad50_NBD_(L828F_mutant)_A A . yes native no no . . . 27956 1 2 'Rad50NBD (L828F), subunit B' 2 $Pf_Rad50_NBD_(L828F_mutant)_B B . yes native no no . . . 27956 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Pf_Rad50_NBD_(L828F_mutant)_A _Entity.Sf_category entity _Entity.Sf_framecode Pf_Rad50_NBD_(L828F_mutant)_A _Entity.Entry_ID 27956 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Pf_Rad50_NBD_(L828F_mutant)_A _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 ; AMGSMKLERVTVKNFRSHSD TVVEFKEGINLIIGQNGSGK SSLLDAILVGLYWPLRIKDI KKDEFTKVGARDTYIDLIFE KDGTKYRITRRFLKGYSSGE IHAMKRLVGNEWKHVTEPSS KAISAFMEKLIPYNIFLNAI YIRQGQIDAILESDEAREKV VREVLNLDKFETAYKKLSEL KKTINNRIKEYRDILARTE ; _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 199 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Rad50 NBD' _Entity.Mutation L828F _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'DNA repair; ABC ATPase' 27956 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 . ALA . 27956 1 2 . MET . 27956 1 3 . GLY . 27956 1 4 . SER . 27956 1 5 . MET . 27956 1 6 . LYS . 27956 1 7 . LEU . 27956 1 8 . GLU . 27956 1 9 . ARG . 27956 1 10 . VAL . 27956 1 11 . THR . 27956 1 12 . VAL . 27956 1 13 . LYS . 27956 1 14 . ASN . 27956 1 15 . PHE . 27956 1 16 . ARG . 27956 1 17 . SER . 27956 1 18 . HIS . 27956 1 19 . SER . 27956 1 20 . ASP . 27956 1 21 . THR . 27956 1 22 . VAL . 27956 1 23 . VAL . 27956 1 24 . GLU . 27956 1 25 . PHE . 27956 1 26 . LYS . 27956 1 27 . GLU . 27956 1 28 . GLY . 27956 1 29 . ILE . 27956 1 30 . ASN . 27956 1 31 . LEU . 27956 1 32 . ILE . 27956 1 33 . ILE . 27956 1 34 . GLY . 27956 1 35 . GLN . 27956 1 36 . ASN . 27956 1 37 . GLY . 27956 1 38 . SER . 27956 1 39 . GLY . 27956 1 40 . LYS . 27956 1 41 . SER . 27956 1 42 . SER . 27956 1 43 . LEU . 27956 1 44 . LEU . 27956 1 45 . ASP . 27956 1 46 . ALA . 27956 1 47 . ILE . 27956 1 48 . LEU . 27956 1 49 . VAL . 27956 1 50 . GLY . 27956 1 51 . LEU . 27956 1 52 . TYR . 27956 1 53 . TRP . 27956 1 54 . PRO . 27956 1 55 . LEU . 27956 1 56 . ARG . 27956 1 57 . ILE . 27956 1 58 . LYS . 27956 1 59 . ASP . 27956 1 60 . ILE . 27956 1 61 . LYS . 27956 1 62 . LYS . 27956 1 63 . ASP . 27956 1 64 . GLU . 27956 1 65 . PHE . 27956 1 66 . THR . 27956 1 67 . LYS . 27956 1 68 . VAL . 27956 1 69 . GLY . 27956 1 70 . ALA . 27956 1 71 . ARG . 27956 1 72 . ASP . 27956 1 73 . THR . 27956 1 74 . TYR . 27956 1 75 . ILE . 27956 1 76 . ASP . 27956 1 77 . LEU . 27956 1 78 . ILE . 27956 1 79 . PHE . 27956 1 80 . GLU . 27956 1 81 . LYS . 27956 1 82 . ASP . 27956 1 83 . GLY . 27956 1 84 . THR . 27956 1 85 . LYS . 27956 1 86 . TYR . 27956 1 87 . ARG . 27956 1 88 . ILE . 27956 1 89 . THR . 27956 1 90 . ARG . 27956 1 91 . ARG . 27956 1 92 . PHE . 27956 1 93 . LEU . 27956 1 94 . LYS . 27956 1 95 . GLY . 27956 1 96 . TYR . 27956 1 97 . SER . 27956 1 98 . SER . 27956 1 99 . GLY . 27956 1 100 . GLU . 27956 1 101 . ILE . 27956 1 102 . HIS . 27956 1 103 . ALA . 27956 1 104 . MET . 27956 1 105 . LYS . 27956 1 106 . ARG . 27956 1 107 . LEU . 27956 1 108 . VAL . 27956 1 109 . GLY . 27956 1 110 . ASN . 27956 1 111 . GLU . 27956 1 112 . TRP . 27956 1 113 . LYS . 27956 1 114 . HIS . 27956 1 115 . VAL . 27956 1 116 . THR . 27956 1 117 . GLU . 27956 1 118 . PRO . 27956 1 119 . SER . 27956 1 120 . SER . 27956 1 121 . LYS . 27956 1 122 . ALA . 27956 1 123 . ILE . 27956 1 124 . SER . 27956 1 125 . ALA . 27956 1 126 . PHE . 27956 1 127 . MET . 27956 1 128 . GLU . 27956 1 129 . LYS . 27956 1 130 . LEU . 27956 1 131 . ILE . 27956 1 132 . PRO . 27956 1 133 . TYR . 27956 1 134 . ASN . 27956 1 135 . ILE . 27956 1 136 . PHE . 27956 1 137 . LEU . 27956 1 138 . ASN . 27956 1 139 . ALA . 27956 1 140 . ILE . 27956 1 141 . TYR . 27956 1 142 . ILE . 27956 1 143 . ARG . 27956 1 144 . GLN . 27956 1 145 . GLY . 27956 1 146 . GLN . 27956 1 147 . ILE . 27956 1 148 . ASP . 27956 1 149 . ALA . 27956 1 150 . ILE . 27956 1 151 . LEU . 27956 1 152 . GLU . 27956 1 153 . SER . 27956 1 154 . ASP . 27956 1 155 . GLU . 27956 1 156 . ALA . 27956 1 157 . ARG . 27956 1 158 . GLU . 27956 1 159 . LYS . 27956 1 160 . VAL . 27956 1 161 . VAL . 27956 1 162 . ARG . 27956 1 163 . GLU . 27956 1 164 . VAL . 27956 1 165 . LEU . 27956 1 166 . ASN . 27956 1 167 . LEU . 27956 1 168 . ASP . 27956 1 169 . LYS . 27956 1 170 . PHE . 27956 1 171 . GLU . 27956 1 172 . THR . 27956 1 173 . ALA . 27956 1 174 . TYR . 27956 1 175 . LYS . 27956 1 176 . LYS . 27956 1 177 . LEU . 27956 1 178 . SER . 27956 1 179 . GLU . 27956 1 180 . LEU . 27956 1 181 . LYS . 27956 1 182 . LYS . 27956 1 183 . THR . 27956 1 184 . ILE . 27956 1 185 . ASN . 27956 1 186 . ASN . 27956 1 187 . ARG . 27956 1 188 . ILE . 27956 1 189 . LYS . 27956 1 190 . GLU . 27956 1 191 . TYR . 27956 1 192 . ARG . 27956 1 193 . ASP . 27956 1 194 . ILE . 27956 1 195 . LEU . 27956 1 196 . ALA . 27956 1 197 . ARG . 27956 1 198 . THR . 27956 1 199 . GLU . 27956 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 . ALA 1 1 27956 1 . MET 2 2 27956 1 . GLY 3 3 27956 1 . SER 4 4 27956 1 . MET 5 5 27956 1 . LYS 6 6 27956 1 . LEU 7 7 27956 1 . GLU 8 8 27956 1 . ARG 9 9 27956 1 . VAL 10 10 27956 1 . THR 11 11 27956 1 . VAL 12 12 27956 1 . LYS 13 13 27956 1 . ASN 14 14 27956 1 . PHE 15 15 27956 1 . ARG 16 16 27956 1 . SER 17 17 27956 1 . HIS 18 18 27956 1 . SER 19 19 27956 1 . ASP 20 20 27956 1 . THR 21 21 27956 1 . VAL 22 22 27956 1 . VAL 23 23 27956 1 . GLU 24 24 27956 1 . PHE 25 25 27956 1 . LYS 26 26 27956 1 . GLU 27 27 27956 1 . GLY 28 28 27956 1 . ILE 29 29 27956 1 . ASN 30 30 27956 1 . LEU 31 31 27956 1 . ILE 32 32 27956 1 . ILE 33 33 27956 1 . GLY 34 34 27956 1 . GLN 35 35 27956 1 . ASN 36 36 27956 1 . GLY 37 37 27956 1 . SER 38 38 27956 1 . GLY 39 39 27956 1 . LYS 40 40 27956 1 . SER 41 41 27956 1 . SER 42 42 27956 1 . LEU 43 43 27956 1 . LEU 44 44 27956 1 . ASP 45 45 27956 1 . ALA 46 46 27956 1 . ILE 47 47 27956 1 . LEU 48 48 27956 1 . VAL 49 49 27956 1 . GLY 50 50 27956 1 . LEU 51 51 27956 1 . TYR 52 52 27956 1 . TRP 53 53 27956 1 . PRO 54 54 27956 1 . LEU 55 55 27956 1 . ARG 56 56 27956 1 . ILE 57 57 27956 1 . LYS 58 58 27956 1 . ASP 59 59 27956 1 . ILE 60 60 27956 1 . LYS 61 61 27956 1 . LYS 62 62 27956 1 . ASP 63 63 27956 1 . GLU 64 64 27956 1 . PHE 65 65 27956 1 . THR 66 66 27956 1 . LYS 67 67 27956 1 . VAL 68 68 27956 1 . GLY 69 69 27956 1 . ALA 70 70 27956 1 . ARG 71 71 27956 1 . ASP 72 72 27956 1 . THR 73 73 27956 1 . TYR 74 74 27956 1 . ILE 75 75 27956 1 . ASP 76 76 27956 1 . LEU 77 77 27956 1 . ILE 78 78 27956 1 . PHE 79 79 27956 1 . GLU 80 80 27956 1 . LYS 81 81 27956 1 . ASP 82 82 27956 1 . GLY 83 83 27956 1 . THR 84 84 27956 1 . LYS 85 85 27956 1 . TYR 86 86 27956 1 . ARG 87 87 27956 1 . ILE 88 88 27956 1 . THR 89 89 27956 1 . ARG 90 90 27956 1 . ARG 91 91 27956 1 . PHE 92 92 27956 1 . LEU 93 93 27956 1 . LYS 94 94 27956 1 . GLY 95 95 27956 1 . TYR 96 96 27956 1 . SER 97 97 27956 1 . SER 98 98 27956 1 . GLY 99 99 27956 1 . GLU 100 100 27956 1 . ILE 101 101 27956 1 . HIS 102 102 27956 1 . ALA 103 103 27956 1 . MET 104 104 27956 1 . LYS 105 105 27956 1 . ARG 106 106 27956 1 . LEU 107 107 27956 1 . VAL 108 108 27956 1 . GLY 109 109 27956 1 . ASN 110 110 27956 1 . GLU 111 111 27956 1 . TRP 112 112 27956 1 . LYS 113 113 27956 1 . HIS 114 114 27956 1 . VAL 115 115 27956 1 . THR 116 116 27956 1 . GLU 117 117 27956 1 . PRO 118 118 27956 1 . SER 119 119 27956 1 . SER 120 120 27956 1 . LYS 121 121 27956 1 . ALA 122 122 27956 1 . ILE 123 123 27956 1 . SER 124 124 27956 1 . ALA 125 125 27956 1 . PHE 126 126 27956 1 . MET 127 127 27956 1 . GLU 128 128 27956 1 . LYS 129 129 27956 1 . LEU 130 130 27956 1 . ILE 131 131 27956 1 . PRO 132 132 27956 1 . TYR 133 133 27956 1 . ASN 134 134 27956 1 . ILE 135 135 27956 1 . PHE 136 136 27956 1 . LEU 137 137 27956 1 . ASN 138 138 27956 1 . ALA 139 139 27956 1 . ILE 140 140 27956 1 . TYR 141 141 27956 1 . ILE 142 142 27956 1 . ARG 143 143 27956 1 . GLN 144 144 27956 1 . GLY 145 145 27956 1 . GLN 146 146 27956 1 . ILE 147 147 27956 1 . ASP 148 148 27956 1 . ALA 149 149 27956 1 . ILE 150 150 27956 1 . LEU 151 151 27956 1 . GLU 152 152 27956 1 . SER 153 153 27956 1 . ASP 154 154 27956 1 . GLU 155 155 27956 1 . ALA 156 156 27956 1 . ARG 157 157 27956 1 . GLU 158 158 27956 1 . LYS 159 159 27956 1 . VAL 160 160 27956 1 . VAL 161 161 27956 1 . ARG 162 162 27956 1 . GLU 163 163 27956 1 . VAL 164 164 27956 1 . LEU 165 165 27956 1 . ASN 166 166 27956 1 . LEU 167 167 27956 1 . ASP 168 168 27956 1 . LYS 169 169 27956 1 . PHE 170 170 27956 1 . GLU 171 171 27956 1 . THR 172 172 27956 1 . ALA 173 173 27956 1 . TYR 174 174 27956 1 . LYS 175 175 27956 1 . LYS 176 176 27956 1 . LEU 177 177 27956 1 . SER 178 178 27956 1 . GLU 179 179 27956 1 . LEU 180 180 27956 1 . LYS 181 181 27956 1 . LYS 182 182 27956 1 . THR 183 183 27956 1 . ILE 184 184 27956 1 . ASN 185 185 27956 1 . ASN 186 186 27956 1 . ARG 187 187 27956 1 . ILE 188 188 27956 1 . LYS 189 189 27956 1 . GLU 190 190 27956 1 . TYR 191 191 27956 1 . ARG 192 192 27956 1 . ASP 193 193 27956 1 . ILE 194 194 27956 1 . LEU 195 195 27956 1 . ALA 196 196 27956 1 . ARG 197 197 27956 1 . THR 198 198 27956 1 . GLU 199 199 27956 1 stop_ save_ save_Pf_Rad50_NBD_(L828F_mutant)_B _Entity.Sf_category entity _Entity.Sf_framecode Pf_Rad50_NBD_(L828F_mutant)_B _Entity.Entry_ID 27956 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Pf_Rad50_NBD_(L828F_mutant)_B _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 ; RERVKKEIKDLEKAKDFTEE LIEKVKKYKALAREAALSKI GELASEIFAEFTEGKYSEVV VRAEENKVRLFVVWEGKERP LTFLSGGERIALGLAFRLAM SLYLAGEISLLILDEPTPYF DEERRRKLITIMERYLKKIP QVILVSHDEELKDAADHVIR ISLENGSSKVEVVS ; _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 174 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Rad50 NBD' _Entity.Mutation L828F _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'DNA repair; ABC ATPase' 27956 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 . ARG . 27956 2 2 . GLU . 27956 2 3 . ARG . 27956 2 4 . VAL . 27956 2 5 . LYS . 27956 2 6 . LYS . 27956 2 7 . GLU . 27956 2 8 . ILE . 27956 2 9 . LYS . 27956 2 10 . ASP . 27956 2 11 . LEU . 27956 2 12 . GLU . 27956 2 13 . LYS . 27956 2 14 . ALA . 27956 2 15 . LYS . 27956 2 16 . ASP . 27956 2 17 . PHE . 27956 2 18 . THR . 27956 2 19 . GLU . 27956 2 20 . GLU . 27956 2 21 . LEU . 27956 2 22 . ILE . 27956 2 23 . GLU . 27956 2 24 . LYS . 27956 2 25 . VAL . 27956 2 26 . LYS . 27956 2 27 . LYS . 27956 2 28 . TYR . 27956 2 29 . LYS . 27956 2 30 . ALA . 27956 2 31 . LEU . 27956 2 32 . ALA . 27956 2 33 . ARG . 27956 2 34 . GLU . 27956 2 35 . ALA . 27956 2 36 . ALA . 27956 2 37 . LEU . 27956 2 38 . SER . 27956 2 39 . LYS . 27956 2 40 . ILE . 27956 2 41 . GLY . 27956 2 42 . GLU . 27956 2 43 . LEU . 27956 2 44 . ALA . 27956 2 45 . SER . 27956 2 46 . GLU . 27956 2 47 . ILE . 27956 2 48 . PHE . 27956 2 49 . ALA . 27956 2 50 . GLU . 27956 2 51 . PHE . 27956 2 52 . THR . 27956 2 53 . GLU . 27956 2 54 . GLY . 27956 2 55 . LYS . 27956 2 56 . TYR . 27956 2 57 . SER . 27956 2 58 . GLU . 27956 2 59 . VAL . 27956 2 60 . VAL . 27956 2 61 . VAL . 27956 2 62 . ARG . 27956 2 63 . ALA . 27956 2 64 . GLU . 27956 2 65 . GLU . 27956 2 66 . ASN . 27956 2 67 . LYS . 27956 2 68 . VAL . 27956 2 69 . ARG . 27956 2 70 . LEU . 27956 2 71 . PHE . 27956 2 72 . VAL . 27956 2 73 . VAL . 27956 2 74 . TRP . 27956 2 75 . GLU . 27956 2 76 . GLY . 27956 2 77 . LYS . 27956 2 78 . GLU . 27956 2 79 . ARG . 27956 2 80 . PRO . 27956 2 81 . LEU . 27956 2 82 . THR . 27956 2 83 . PHE . 27956 2 84 . LEU . 27956 2 85 . SER . 27956 2 86 . GLY . 27956 2 87 . GLY . 27956 2 88 . GLU . 27956 2 89 . ARG . 27956 2 90 . ILE . 27956 2 91 . ALA . 27956 2 92 . LEU . 27956 2 93 . GLY . 27956 2 94 . LEU . 27956 2 95 . ALA . 27956 2 96 . PHE . 27956 2 97 . ARG . 27956 2 98 . LEU . 27956 2 99 . ALA . 27956 2 100 . MET . 27956 2 101 . SER . 27956 2 102 . LEU . 27956 2 103 . TYR . 27956 2 104 . LEU . 27956 2 105 . ALA . 27956 2 106 . GLY . 27956 2 107 . GLU . 27956 2 108 . ILE . 27956 2 109 . SER . 27956 2 110 . LEU . 27956 2 111 . LEU . 27956 2 112 . ILE . 27956 2 113 . LEU . 27956 2 114 . ASP . 27956 2 115 . GLU . 27956 2 116 . PRO . 27956 2 117 . THR . 27956 2 118 . PRO . 27956 2 119 . TYR . 27956 2 120 . PHE . 27956 2 121 . ASP . 27956 2 122 . GLU . 27956 2 123 . GLU . 27956 2 124 . ARG . 27956 2 125 . ARG . 27956 2 126 . ARG . 27956 2 127 . LYS . 27956 2 128 . LEU . 27956 2 129 . ILE . 27956 2 130 . THR . 27956 2 131 . ILE . 27956 2 132 . MET . 27956 2 133 . GLU . 27956 2 134 . ARG . 27956 2 135 . TYR . 27956 2 136 . LEU . 27956 2 137 . LYS . 27956 2 138 . LYS . 27956 2 139 . ILE . 27956 2 140 . PRO . 27956 2 141 . GLN . 27956 2 142 . VAL . 27956 2 143 . ILE . 27956 2 144 . LEU . 27956 2 145 . VAL . 27956 2 146 . SER . 27956 2 147 . HIS . 27956 2 148 . ASP . 27956 2 149 . GLU . 27956 2 150 . GLU . 27956 2 151 . LEU . 27956 2 152 . LYS . 27956 2 153 . ASP . 27956 2 154 . ALA . 27956 2 155 . ALA . 27956 2 156 . ASP . 27956 2 157 . HIS . 27956 2 158 . VAL . 27956 2 159 . ILE . 27956 2 160 . ARG . 27956 2 161 . ILE . 27956 2 162 . SER . 27956 2 163 . LEU . 27956 2 164 . GLU . 27956 2 165 . ASN . 27956 2 166 . GLY . 27956 2 167 . SER . 27956 2 168 . SER . 27956 2 169 . LYS . 27956 2 170 . VAL . 27956 2 171 . GLU . 27956 2 172 . VAL . 27956 2 173 . VAL . 27956 2 174 . SER . 27956 2 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 . ARG 1 1 27956 2 . GLU 2 2 27956 2 . ARG 3 3 27956 2 . VAL 4 4 27956 2 . LYS 5 5 27956 2 . LYS 6 6 27956 2 . GLU 7 7 27956 2 . ILE 8 8 27956 2 . LYS 9 9 27956 2 . ASP 10 10 27956 2 . LEU 11 11 27956 2 . GLU 12 12 27956 2 . LYS 13 13 27956 2 . ALA 14 14 27956 2 . LYS 15 15 27956 2 . ASP 16 16 27956 2 . PHE 17 17 27956 2 . THR 18 18 27956 2 . GLU 19 19 27956 2 . GLU 20 20 27956 2 . LEU 21 21 27956 2 . ILE 22 22 27956 2 . GLU 23 23 27956 2 . LYS 24 24 27956 2 . VAL 25 25 27956 2 . LYS 26 26 27956 2 . LYS 27 27 27956 2 . TYR 28 28 27956 2 . LYS 29 29 27956 2 . ALA 30 30 27956 2 . LEU 31 31 27956 2 . ALA 32 32 27956 2 . ARG 33 33 27956 2 . GLU 34 34 27956 2 . ALA 35 35 27956 2 . ALA 36 36 27956 2 . LEU 37 37 27956 2 . SER 38 38 27956 2 . LYS 39 39 27956 2 . ILE 40 40 27956 2 . GLY 41 41 27956 2 . GLU 42 42 27956 2 . LEU 43 43 27956 2 . ALA 44 44 27956 2 . SER 45 45 27956 2 . GLU 46 46 27956 2 . ILE 47 47 27956 2 . PHE 48 48 27956 2 . ALA 49 49 27956 2 . GLU 50 50 27956 2 . PHE 51 51 27956 2 . THR 52 52 27956 2 . GLU 53 53 27956 2 . GLY 54 54 27956 2 . LYS 55 55 27956 2 . TYR 56 56 27956 2 . SER 57 57 27956 2 . GLU 58 58 27956 2 . VAL 59 59 27956 2 . VAL 60 60 27956 2 . VAL 61 61 27956 2 . ARG 62 62 27956 2 . ALA 63 63 27956 2 . GLU 64 64 27956 2 . GLU 65 65 27956 2 . ASN 66 66 27956 2 . LYS 67 67 27956 2 . VAL 68 68 27956 2 . ARG 69 69 27956 2 . LEU 70 70 27956 2 . PHE 71 71 27956 2 . VAL 72 72 27956 2 . VAL 73 73 27956 2 . TRP 74 74 27956 2 . GLU 75 75 27956 2 . GLY 76 76 27956 2 . LYS 77 77 27956 2 . GLU 78 78 27956 2 . ARG 79 79 27956 2 . PRO 80 80 27956 2 . LEU 81 81 27956 2 . THR 82 82 27956 2 . PHE 83 83 27956 2 . LEU 84 84 27956 2 . SER 85 85 27956 2 . GLY 86 86 27956 2 . GLY 87 87 27956 2 . GLU 88 88 27956 2 . ARG 89 89 27956 2 . ILE 90 90 27956 2 . ALA 91 91 27956 2 . LEU 92 92 27956 2 . GLY 93 93 27956 2 . LEU 94 94 27956 2 . ALA 95 95 27956 2 . PHE 96 96 27956 2 . ARG 97 97 27956 2 . LEU 98 98 27956 2 . ALA 99 99 27956 2 . MET 100 100 27956 2 . SER 101 101 27956 2 . LEU 102 102 27956 2 . TYR 103 103 27956 2 . LEU 104 104 27956 2 . ALA 105 105 27956 2 . GLY 106 106 27956 2 . GLU 107 107 27956 2 . ILE 108 108 27956 2 . SER 109 109 27956 2 . LEU 110 110 27956 2 . LEU 111 111 27956 2 . ILE 112 112 27956 2 . LEU 113 113 27956 2 . ASP 114 114 27956 2 . GLU 115 115 27956 2 . PRO 116 116 27956 2 . THR 117 117 27956 2 . PRO 118 118 27956 2 . TYR 119 119 27956 2 . PHE 120 120 27956 2 . ASP 121 121 27956 2 . GLU 122 122 27956 2 . GLU 123 123 27956 2 . ARG 124 124 27956 2 . ARG 125 125 27956 2 . ARG 126 126 27956 2 . LYS 127 127 27956 2 . LEU 128 128 27956 2 . ILE 129 129 27956 2 . THR 130 130 27956 2 . ILE 131 131 27956 2 . MET 132 132 27956 2 . GLU 133 133 27956 2 . ARG 134 134 27956 2 . TYR 135 135 27956 2 . LEU 136 136 27956 2 . LYS 137 137 27956 2 . LYS 138 138 27956 2 . ILE 139 139 27956 2 . PRO 140 140 27956 2 . GLN 141 141 27956 2 . VAL 142 142 27956 2 . ILE 143 143 27956 2 . LEU 144 144 27956 2 . VAL 145 145 27956 2 . SER 146 146 27956 2 . HIS 147 147 27956 2 . ASP 148 148 27956 2 . GLU 149 149 27956 2 . GLU 150 150 27956 2 . LEU 151 151 27956 2 . LYS 152 152 27956 2 . ASP 153 153 27956 2 . ALA 154 154 27956 2 . ALA 155 155 27956 2 . ASP 156 156 27956 2 . HIS 157 157 27956 2 . VAL 158 158 27956 2 . ILE 159 159 27956 2 . ARG 160 160 27956 2 . ILE 161 161 27956 2 . SER 162 162 27956 2 . LEU 163 163 27956 2 . GLU 164 164 27956 2 . ASN 165 165 27956 2 . GLY 166 166 27956 2 . SER 167 167 27956 2 . SER 168 168 27956 2 . LYS 169 169 27956 2 . VAL 170 170 27956 2 . GLU 171 171 27956 2 . VAL 172 172 27956 2 . VAL 173 173 27956 2 . SER 174 174 27956 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27956 _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 $Pf_Rad50_NBD_(L828F_mutant)_A . 2261 organism . 'Pyrococcus furiosus' . . . Archaea . Pyrococcus furiosus . . . . . . . . . . . . . 27956 1 2 2 $Pf_Rad50_NBD_(L828F_mutant)_B . 2261 organism . 'Pyrococcus furiosus' . . . Archaea . Pyrococcus furiosus . . . . . . . . . . . . . 27956 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27956 _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 $Pf_Rad50_NBD_(L828F_mutant)_A . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pRSET . . 'mutated to add TEV cleavable His-Tag on N-terminus' 27956 1 2 2 $Pf_Rad50_NBD_(L828F_mutant)_B . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pRSET . . 'mutated to add TEV cleavable His-Tag on N-terminus' 27956 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27956 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'Pf Rad50 NBD (L828F mutant)' 'U-2H, Iled1-[13CH3], Leud/Valg-[13CH3,12CD3], Mete-[13CH3] (ILVM)' . . 1 $Pf_Rad50_NBD_(L828F_mutant)_A . . 0.5 . . mM . . . . 27956 1 2 'Pf Rad50 NBD (L828F mutant)' 'U-2H, Iled1-[13CH3], Leud/Valg-[13CH3,12CD3], Mete-[13CH3] (ILVM)' . . 2 $Pf_Rad50_NBD_(L828F_mutant)_B . . 0.5 . . mM . . . . 27956 1 3 'Pf Mre11' 'natural abundance' . . . . . . 0.5 . . mM . . . . 27956 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 27956 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 250 . mM 27956 1 pH 7 . pH 27956 1 pressure 1 . atm 27956 1 temperature 273 . K 27956 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27956 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27956 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 27956 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27956 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model DD2 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27956 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Agilent DD2 . 600 . . . 27956 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27956 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 13C,1H methyl-TROSY HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27956 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27956 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27956 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27956 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27956 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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 '2D 13C,1H methyl-TROSY HMQC' . . . 27956 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 2 2 MET HE1 H 1 2.181 0.0014 . 1 . . . . . 2 Met HE1 . 27956 1 2 . 1 . 1 2 2 MET HE2 H 1 2.181 0.0014 . 1 . . . . . 2 Met HE2 . 27956 1 3 . 1 . 1 2 2 MET HE3 H 1 2.181 0.0014 . 1 . . . . . 2 Met HE3 . 27956 1 4 . 1 . 1 2 2 MET CE C 13 17.877 0.0173 . 1 . . . . . 2 Met CE . 27956 1 5 . 1 . 1 5 5 MET HE1 H 1 1.551 0.0014 . 1 . . . . . 5 Met HE1 . 27956 1 6 . 1 . 1 5 5 MET HE2 H 1 1.551 0.0014 . 1 . . . . . 5 Met HE2 . 27956 1 7 . 1 . 1 5 5 MET HE3 H 1 1.551 0.0014 . 1 . . . . . 5 Met HE3 . 27956 1 8 . 1 . 1 5 5 MET CE C 13 17.975 0.0173 . 1 . . . . . 5 Met CE . 27956 1 9 . 1 . 1 7 7 LEU HD11 H 1 0.603 0.0014 . 1 . . . . . 7 Leu HD11 . 27956 1 10 . 1 . 1 7 7 LEU HD12 H 1 0.603 0.0014 . 1 . . . . . 7 Leu HD12 . 27956 1 11 . 1 . 1 7 7 LEU HD13 H 1 0.603 0.0014 . 1 . . . . . 7 Leu HD13 . 27956 1 12 . 1 . 1 7 7 LEU HD21 H 1 0.682 0.0014 . 1 . . . . . 7 Leu HD21 . 27956 1 13 . 1 . 1 7 7 LEU HD22 H 1 0.682 0.0014 . 1 . . . . . 7 Leu HD22 . 27956 1 14 . 1 . 1 7 7 LEU HD23 H 1 0.682 0.0014 . 1 . . . . . 7 Leu HD23 . 27956 1 15 . 1 . 1 7 7 LEU CD1 C 13 25.116 0.0173 . 1 . . . . . 7 Leu CD1 . 27956 1 16 . 1 . 1 7 7 LEU CD2 C 13 23.124 0.0173 . 1 . . . . . 7 Leu CD2 . 27956 1 17 . 1 . 1 10 10 VAL HG11 H 1 0.883 0.0014 . 1 . . . . . 10 Val HG11 . 27956 1 18 . 1 . 1 10 10 VAL HG12 H 1 0.883 0.0014 . 1 . . . . . 10 Val HG12 . 27956 1 19 . 1 . 1 10 10 VAL HG13 H 1 0.883 0.0014 . 1 . . . . . 10 Val HG13 . 27956 1 20 . 1 . 1 10 10 VAL HG21 H 1 0.950 0.0014 . 1 . . . . . 10 Val HG21 . 27956 1 21 . 1 . 1 10 10 VAL HG22 H 1 0.950 0.0014 . 1 . . . . . 10 Val HG22 . 27956 1 22 . 1 . 1 10 10 VAL HG23 H 1 0.950 0.0014 . 1 . . . . . 10 Val HG23 . 27956 1 23 . 1 . 1 10 10 VAL CG1 C 13 19.944 0.0173 . 1 . . . . . 10 Val CG1 . 27956 1 24 . 1 . 1 10 10 VAL CG2 C 13 21.073 0.0173 . 1 . . . . . 10 Val CG2 . 27956 1 25 . 1 . 1 12 12 VAL HG11 H 1 0.890 0.0014 . 1 . . . . . 12 Val HG11 . 27956 1 26 . 1 . 1 12 12 VAL HG12 H 1 0.890 0.0014 . 1 . . . . . 12 Val HG12 . 27956 1 27 . 1 . 1 12 12 VAL HG13 H 1 0.890 0.0014 . 1 . . . . . 12 Val HG13 . 27956 1 28 . 1 . 1 12 12 VAL HG21 H 1 0.715 0.0014 . 1 . . . . . 12 Val HG21 . 27956 1 29 . 1 . 1 12 12 VAL HG22 H 1 0.715 0.0014 . 1 . . . . . 12 Val HG22 . 27956 1 30 . 1 . 1 12 12 VAL HG23 H 1 0.715 0.0014 . 1 . . . . . 12 Val HG23 . 27956 1 31 . 1 . 1 12 12 VAL CG1 C 13 22.759 0.0173 . 1 . . . . . 12 Val CG1 . 27956 1 32 . 1 . 1 12 12 VAL CG2 C 13 21.643 0.0173 . 1 . . . . . 12 Val CG2 . 27956 1 33 . 1 . 1 23 23 VAL HG11 H 1 0.278 0.0014 . 1 . . . . . 23 Val HG11 . 27956 1 34 . 1 . 1 23 23 VAL HG12 H 1 0.278 0.0014 . 1 . . . . . 23 Val HG12 . 27956 1 35 . 1 . 1 23 23 VAL HG13 H 1 0.278 0.0014 . 1 . . . . . 23 Val HG13 . 27956 1 36 . 1 . 1 23 23 VAL HG21 H 1 0.683 0.0014 . 1 . . . . . 23 Val HG21 . 27956 1 37 . 1 . 1 23 23 VAL HG22 H 1 0.683 0.0014 . 1 . . . . . 23 Val HG22 . 27956 1 38 . 1 . 1 23 23 VAL HG23 H 1 0.683 0.0014 . 1 . . . . . 23 Val HG23 . 27956 1 39 . 1 . 1 23 23 VAL CG1 C 13 21.987 0.0173 . 1 . . . . . 23 Val CG1 . 27956 1 40 . 1 . 1 23 23 VAL CG2 C 13 21.924 0.0173 . 1 . . . . . 23 Val CG2 . 27956 1 41 . 1 . 1 29 29 ILE HD11 H 1 0.937 0.0014 . 1 . . . . . 29 Ile HD11 . 27956 1 42 . 1 . 1 29 29 ILE HD12 H 1 0.937 0.0014 . 1 . . . . . 29 Ile HD12 . 27956 1 43 . 1 . 1 29 29 ILE HD13 H 1 0.937 0.0014 . 1 . . . . . 29 Ile HD13 . 27956 1 44 . 1 . 1 29 29 ILE CD1 C 13 14.389 0.0173 . 1 . . . . . 29 Ile CD1 . 27956 1 45 . 1 . 1 31 31 LEU HD11 H 1 0.833 0.0014 . 1 . . . . . 31 Leu HD11 . 27956 1 46 . 1 . 1 31 31 LEU HD12 H 1 0.833 0.0014 . 1 . . . . . 31 Leu HD12 . 27956 1 47 . 1 . 1 31 31 LEU HD13 H 1 0.833 0.0014 . 1 . . . . . 31 Leu HD13 . 27956 1 48 . 1 . 1 31 31 LEU HD21 H 1 0.734 0.0014 . 1 . . . . . 31 Leu HD21 . 27956 1 49 . 1 . 1 31 31 LEU HD22 H 1 0.734 0.0014 . 1 . . . . . 31 Leu HD22 . 27956 1 50 . 1 . 1 31 31 LEU HD23 H 1 0.734 0.0014 . 1 . . . . . 31 Leu HD23 . 27956 1 51 . 1 . 1 31 31 LEU CD1 C 13 24.000 0.0173 . 1 . . . . . 31 Leu CD1 . 27956 1 52 . 1 . 1 31 31 LEU CD2 C 13 27.219 0.0173 . 1 . . . . . 31 Leu CD2 . 27956 1 53 . 1 . 1 32 32 ILE HD11 H 1 0.901 0.0014 . 1 . . . . . 32 Ile HD11 . 27956 1 54 . 1 . 1 32 32 ILE HD12 H 1 0.901 0.0014 . 1 . . . . . 32 Ile HD12 . 27956 1 55 . 1 . 1 32 32 ILE HD13 H 1 0.901 0.0014 . 1 . . . . . 32 Ile HD13 . 27956 1 56 . 1 . 1 32 32 ILE CD1 C 13 13.066 0.0173 . 1 . . . . . 32 Ile CD1 . 27956 1 57 . 1 . 1 33 33 ILE HD11 H 1 0.763 0.0014 . 1 . . . . . 33 Ile HD11 . 27956 1 58 . 1 . 1 33 33 ILE HD12 H 1 0.763 0.0014 . 1 . . . . . 33 Ile HD12 . 27956 1 59 . 1 . 1 33 33 ILE HD13 H 1 0.763 0.0014 . 1 . . . . . 33 Ile HD13 . 27956 1 60 . 1 . 1 33 33 ILE CD1 C 13 13.971 0.0173 . 1 . . . . . 33 Ile CD1 . 27956 1 61 . 1 . 1 43 43 LEU HD11 H 1 0.858 0.0014 . 1 . . . . . 43 Leu HD11 . 27956 1 62 . 1 . 1 43 43 LEU HD12 H 1 0.858 0.0014 . 1 . . . . . 43 Leu HD12 . 27956 1 63 . 1 . 1 43 43 LEU HD13 H 1 0.858 0.0014 . 1 . . . . . 43 Leu HD13 . 27956 1 64 . 1 . 1 43 43 LEU HD21 H 1 0.691 0.0014 . 1 . . . . . 43 Leu HD21 . 27956 1 65 . 1 . 1 43 43 LEU HD22 H 1 0.691 0.0014 . 1 . . . . . 43 Leu HD22 . 27956 1 66 . 1 . 1 43 43 LEU HD23 H 1 0.691 0.0014 . 1 . . . . . 43 Leu HD23 . 27956 1 67 . 1 . 1 43 43 LEU CD1 C 13 25.527 0.0173 . 1 . . . . . 43 Leu CD1 . 27956 1 68 . 1 . 1 43 43 LEU CD2 C 13 23.537 0.0173 . 1 . . . . . 43 Leu CD2 . 27956 1 69 . 1 . 1 44 44 LEU HD11 H 1 0.709 0.0014 . 1 . . . . . 44 Leu HD11 . 27956 1 70 . 1 . 1 44 44 LEU HD12 H 1 0.709 0.0014 . 1 . . . . . 44 Leu HD12 . 27956 1 71 . 1 . 1 44 44 LEU HD13 H 1 0.709 0.0014 . 1 . . . . . 44 Leu HD13 . 27956 1 72 . 1 . 1 44 44 LEU HD21 H 1 0.982 0.0014 . 1 . . . . . 44 Leu HD21 . 27956 1 73 . 1 . 1 44 44 LEU HD22 H 1 0.982 0.0014 . 1 . . . . . 44 Leu HD22 . 27956 1 74 . 1 . 1 44 44 LEU HD23 H 1 0.982 0.0014 . 1 . . . . . 44 Leu HD23 . 27956 1 75 . 1 . 1 44 44 LEU CD1 C 13 21.784 0.0173 . 1 . . . . . 44 Leu CD1 . 27956 1 76 . 1 . 1 44 44 LEU CD2 C 13 22.805 0.0173 . 1 . . . . . 44 Leu CD2 . 27956 1 77 . 1 . 1 47 47 ILE HD11 H 1 0.807 0.0014 . 1 . . . . . 47 Ile HD11 . 27956 1 78 . 1 . 1 47 47 ILE HD12 H 1 0.807 0.0014 . 1 . . . . . 47 Ile HD12 . 27956 1 79 . 1 . 1 47 47 ILE HD13 H 1 0.807 0.0014 . 1 . . . . . 47 Ile HD13 . 27956 1 80 . 1 . 1 47 47 ILE CD1 C 13 13.291 0.0173 . 1 . . . . . 47 Ile CD1 . 27956 1 81 . 1 . 1 48 48 LEU HD11 H 1 0.843 0.0014 . 1 . . . . . 48 Leu HD11 . 27956 1 82 . 1 . 1 48 48 LEU HD12 H 1 0.843 0.0014 . 1 . . . . . 48 Leu HD12 . 27956 1 83 . 1 . 1 48 48 LEU HD13 H 1 0.843 0.0014 . 1 . . . . . 48 Leu HD13 . 27956 1 84 . 1 . 1 48 48 LEU HD21 H 1 0.741 0.0014 . 1 . . . . . 48 Leu HD21 . 27956 1 85 . 1 . 1 48 48 LEU HD22 H 1 0.741 0.0014 . 1 . . . . . 48 Leu HD22 . 27956 1 86 . 1 . 1 48 48 LEU HD23 H 1 0.741 0.0014 . 1 . . . . . 48 Leu HD23 . 27956 1 87 . 1 . 1 48 48 LEU CD1 C 13 23.518 0.0173 . 1 . . . . . 48 Leu CD1 . 27956 1 88 . 1 . 1 48 48 LEU CD2 C 13 24.928 0.0173 . 1 . . . . . 48 Leu CD2 . 27956 1 89 . 1 . 1 49 49 VAL HG11 H 1 0.645 0.0014 . 1 . . . . . 49 Val HG11 . 27956 1 90 . 1 . 1 49 49 VAL HG12 H 1 0.645 0.0014 . 1 . . . . . 49 Val HG12 . 27956 1 91 . 1 . 1 49 49 VAL HG13 H 1 0.645 0.0014 . 1 . . . . . 49 Val HG13 . 27956 1 92 . 1 . 1 49 49 VAL HG21 H 1 1.055 0.0014 . 1 . . . . . 49 Val HG21 . 27956 1 93 . 1 . 1 49 49 VAL HG22 H 1 1.055 0.0014 . 1 . . . . . 49 Val HG22 . 27956 1 94 . 1 . 1 49 49 VAL HG23 H 1 1.055 0.0014 . 1 . . . . . 49 Val HG23 . 27956 1 95 . 1 . 1 49 49 VAL CG1 C 13 21.501 0.0173 . 1 . . . . . 49 Val CG1 . 27956 1 96 . 1 . 1 49 49 VAL CG2 C 13 23.300 0.0173 . 1 . . . . . 49 Val CG2 . 27956 1 97 . 1 . 1 51 51 LEU HD11 H 1 -0.163 0.0014 . 1 . . . . . 51 Leu HD11 . 27956 1 98 . 1 . 1 51 51 LEU HD12 H 1 -0.163 0.0014 . 1 . . . . . 51 Leu HD12 . 27956 1 99 . 1 . 1 51 51 LEU HD13 H 1 -0.163 0.0014 . 1 . . . . . 51 Leu HD13 . 27956 1 100 . 1 . 1 51 51 LEU HD21 H 1 -0.119 0.0014 . 1 . . . . . 51 Leu HD21 . 27956 1 101 . 1 . 1 51 51 LEU HD22 H 1 -0.119 0.0014 . 1 . . . . . 51 Leu HD22 . 27956 1 102 . 1 . 1 51 51 LEU HD23 H 1 -0.119 0.0014 . 1 . . . . . 51 Leu HD23 . 27956 1 103 . 1 . 1 51 51 LEU CD1 C 13 25.941 0.0173 . 1 . . . . . 51 Leu CD1 . 27956 1 104 . 1 . 1 51 51 LEU CD2 C 13 22.611 0.0173 . 1 . . . . . 51 Leu CD2 . 27956 1 105 . 1 . 1 55 55 LEU HD11 H 1 0.609 0.0014 . 1 . . . . . 55 Leu HD11 . 27956 1 106 . 1 . 1 55 55 LEU HD12 H 1 0.609 0.0014 . 1 . . . . . 55 Leu HD12 . 27956 1 107 . 1 . 1 55 55 LEU HD13 H 1 0.609 0.0014 . 1 . . . . . 55 Leu HD13 . 27956 1 108 . 1 . 1 55 55 LEU HD21 H 1 0.625 0.0014 . 1 . . . . . 55 Leu HD21 . 27956 1 109 . 1 . 1 55 55 LEU HD22 H 1 0.625 0.0014 . 1 . . . . . 55 Leu HD22 . 27956 1 110 . 1 . 1 55 55 LEU HD23 H 1 0.625 0.0014 . 1 . . . . . 55 Leu HD23 . 27956 1 111 . 1 . 1 55 55 LEU CD1 C 13 23.092 0.0173 . 1 . . . . . 55 Leu CD1 . 27956 1 112 . 1 . 1 55 55 LEU CD2 C 13 25.039 0.0173 . 1 . . . . . 55 Leu CD2 . 27956 1 113 . 1 . 1 57 57 ILE HD11 H 1 0.865 0.0014 . 1 . . . . . 57 Ile HD11 . 27956 1 114 . 1 . 1 57 57 ILE HD12 H 1 0.865 0.0014 . 1 . . . . . 57 Ile HD12 . 27956 1 115 . 1 . 1 57 57 ILE HD13 H 1 0.865 0.0014 . 1 . . . . . 57 Ile HD13 . 27956 1 116 . 1 . 1 57 57 ILE CD1 C 13 13.256 0.0173 . 1 . . . . . 57 Ile CD1 . 27956 1 117 . 1 . 1 60 60 ILE HD11 H 1 0.926 0.0014 . 1 . . . . . 60 Ile HD11 . 27956 1 118 . 1 . 1 60 60 ILE HD12 H 1 0.926 0.0014 . 1 . . . . . 60 Ile HD12 . 27956 1 119 . 1 . 1 60 60 ILE HD13 H 1 0.926 0.0014 . 1 . . . . . 60 Ile HD13 . 27956 1 120 . 1 . 1 60 60 ILE CD1 C 13 13.171 0.0173 . 1 . . . . . 60 Ile CD1 . 27956 1 121 . 1 . 1 75 75 ILE HD11 H 1 0.570 0.0014 . 1 . . . . . 75 Ile HD11 . 27956 1 122 . 1 . 1 75 75 ILE HD12 H 1 0.570 0.0014 . 1 . . . . . 75 Ile HD12 . 27956 1 123 . 1 . 1 75 75 ILE HD13 H 1 0.570 0.0014 . 1 . . . . . 75 Ile HD13 . 27956 1 124 . 1 . 1 75 75 ILE CD1 C 13 13.925 0.0173 . 1 . . . . . 75 Ile CD1 . 27956 1 125 . 1 . 1 77 77 LEU HD11 H 1 0.930 0.0014 . 1 . . . . . 77 Leu HD11 . 27956 1 126 . 1 . 1 77 77 LEU HD12 H 1 0.930 0.0014 . 1 . . . . . 77 Leu HD12 . 27956 1 127 . 1 . 1 77 77 LEU HD13 H 1 0.930 0.0014 . 1 . . . . . 77 Leu HD13 . 27956 1 128 . 1 . 1 77 77 LEU HD21 H 1 0.830 0.0014 . 1 . . . . . 77 Leu HD21 . 27956 1 129 . 1 . 1 77 77 LEU HD22 H 1 0.830 0.0014 . 1 . . . . . 77 Leu HD22 . 27956 1 130 . 1 . 1 77 77 LEU HD23 H 1 0.830 0.0014 . 1 . . . . . 77 Leu HD23 . 27956 1 131 . 1 . 1 77 77 LEU CD1 C 13 25.926 0.0173 . 1 . . . . . 77 Leu CD1 . 27956 1 132 . 1 . 1 77 77 LEU CD2 C 13 27.052 0.0173 . 1 . . . . . 77 Leu CD2 . 27956 1 133 . 1 . 1 88 88 ILE HD11 H 1 1.158 0.0014 . 1 . . . . . 88 Ile HD11 . 27956 1 134 . 1 . 1 88 88 ILE HD12 H 1 1.158 0.0014 . 1 . . . . . 88 Ile HD12 . 27956 1 135 . 1 . 1 88 88 ILE HD13 H 1 1.158 0.0014 . 1 . . . . . 88 Ile HD13 . 27956 1 136 . 1 . 1 88 88 ILE CD1 C 13 15.155 0.0173 . 1 . . . . . 88 Ile CD1 . 27956 1 137 . 1 . 1 104 104 MET HE1 H 1 1.998 0.0014 . 1 . . . . . 104 Met HE1 . 27956 1 138 . 1 . 1 104 104 MET HE2 H 1 1.998 0.0014 . 1 . . . . . 104 Met HE2 . 27956 1 139 . 1 . 1 104 104 MET HE3 H 1 1.998 0.0014 . 1 . . . . . 104 Met HE3 . 27956 1 140 . 1 . 1 104 104 MET CE C 13 20.537 0.0173 . 1 . . . . . 104 Met CE . 27956 1 141 . 1 . 1 107 107 LEU HD11 H 1 -0.619 0.0014 . 1 . . . . . 107 Leu HD11 . 27956 1 142 . 1 . 1 107 107 LEU HD12 H 1 -0.619 0.0014 . 1 . . . . . 107 Leu HD12 . 27956 1 143 . 1 . 1 107 107 LEU HD13 H 1 -0.619 0.0014 . 1 . . . . . 107 Leu HD13 . 27956 1 144 . 1 . 1 107 107 LEU HD21 H 1 0.356 0.0014 . 1 . . . . . 107 Leu HD21 . 27956 1 145 . 1 . 1 107 107 LEU HD22 H 1 0.356 0.0014 . 1 . . . . . 107 Leu HD22 . 27956 1 146 . 1 . 1 107 107 LEU HD23 H 1 0.356 0.0014 . 1 . . . . . 107 Leu HD23 . 27956 1 147 . 1 . 1 107 107 LEU CD1 C 13 20.643 0.0173 . 1 . . . . . 107 Leu CD1 . 27956 1 148 . 1 . 1 107 107 LEU CD2 C 13 25.567 0.0173 . 1 . . . . . 107 Leu CD2 . 27956 1 149 . 1 . 1 115 115 VAL HG11 H 1 0.706 0.0014 . 1 . . . . . 115 Val HG11 . 27956 1 150 . 1 . 1 115 115 VAL HG12 H 1 0.706 0.0014 . 1 . . . . . 115 Val HG12 . 27956 1 151 . 1 . 1 115 115 VAL HG13 H 1 0.706 0.0014 . 1 . . . . . 115 Val HG13 . 27956 1 152 . 1 . 1 115 115 VAL HG21 H 1 0.695 0.0014 . 1 . . . . . 115 Val HG21 . 27956 1 153 . 1 . 1 115 115 VAL HG22 H 1 0.695 0.0014 . 1 . . . . . 115 Val HG22 . 27956 1 154 . 1 . 1 115 115 VAL HG23 H 1 0.695 0.0014 . 1 . . . . . 115 Val HG23 . 27956 1 155 . 1 . 1 115 115 VAL CG1 C 13 21.106 0.0173 . 1 . . . . . 115 Val CG1 . 27956 1 156 . 1 . 1 115 115 VAL CG2 C 13 21.376 0.0173 . 1 . . . . . 115 Val CG2 . 27956 1 157 . 1 . 1 123 123 ILE HD11 H 1 0.732 0.0014 . 1 . . . . . 123 Ile HD11 . 27956 1 158 . 1 . 1 123 123 ILE HD12 H 1 0.732 0.0014 . 1 . . . . . 123 Ile HD12 . 27956 1 159 . 1 . 1 123 123 ILE HD13 H 1 0.732 0.0014 . 1 . . . . . 123 Ile HD13 . 27956 1 160 . 1 . 1 123 123 ILE CD1 C 13 15.042 0.0173 . 1 . . . . . 123 Ile CD1 . 27956 1 161 . 1 . 1 127 127 MET HE1 H 1 1.594 0.0014 . 1 . . . . . 127 Met HE1 . 27956 1 162 . 1 . 1 127 127 MET HE2 H 1 1.594 0.0014 . 1 . . . . . 127 Met HE2 . 27956 1 163 . 1 . 1 127 127 MET HE3 H 1 1.594 0.0014 . 1 . . . . . 127 Met HE3 . 27956 1 164 . 1 . 1 127 127 MET CE C 13 16.460 0.0173 . 1 . . . . . 127 Met CE . 27956 1 165 . 1 . 1 130 130 LEU HD11 H 1 0.808 0.0014 . 1 . . . . . 130 Leu HD11 . 27956 1 166 . 1 . 1 130 130 LEU HD12 H 1 0.808 0.0014 . 1 . . . . . 130 Leu HD12 . 27956 1 167 . 1 . 1 130 130 LEU HD13 H 1 0.808 0.0014 . 1 . . . . . 130 Leu HD13 . 27956 1 168 . 1 . 1 130 130 LEU HD21 H 1 0.743 0.0014 . 1 . . . . . 130 Leu HD21 . 27956 1 169 . 1 . 1 130 130 LEU HD22 H 1 0.743 0.0014 . 1 . . . . . 130 Leu HD22 . 27956 1 170 . 1 . 1 130 130 LEU HD23 H 1 0.743 0.0014 . 1 . . . . . 130 Leu HD23 . 27956 1 171 . 1 . 1 130 130 LEU CD1 C 13 24.617 0.0173 . 1 . . . . . 130 Leu CD1 . 27956 1 172 . 1 . 1 130 130 LEU CD2 C 13 24.347 0.0173 . 1 . . . . . 130 Leu CD2 . 27956 1 173 . 1 . 1 131 131 ILE HD11 H 1 0.908 0.0014 . 1 . . . . . 131 Ile HD11 . 27956 1 174 . 1 . 1 131 131 ILE HD12 H 1 0.908 0.0014 . 1 . . . . . 131 Ile HD12 . 27956 1 175 . 1 . 1 131 131 ILE HD13 H 1 0.908 0.0014 . 1 . . . . . 131 Ile HD13 . 27956 1 176 . 1 . 1 131 131 ILE CD1 C 13 14.309 0.0173 . 1 . . . . . 131 Ile CD1 . 27956 1 177 . 1 . 1 135 135 ILE HD11 H 1 0.823 0.0014 . 1 . . . . . 135 Ile HD11 . 27956 1 178 . 1 . 1 135 135 ILE HD12 H 1 0.823 0.0014 . 1 . . . . . 135 Ile HD12 . 27956 1 179 . 1 . 1 135 135 ILE HD13 H 1 0.823 0.0014 . 1 . . . . . 135 Ile HD13 . 27956 1 180 . 1 . 1 135 135 ILE CD1 C 13 10.089 0.0173 . 1 . . . . . 135 Ile CD1 . 27956 1 181 . 1 . 1 137 137 LEU HD11 H 1 0.833 0.0014 . 1 . . . . . 137 Leu HD11 . 27956 1 182 . 1 . 1 137 137 LEU HD12 H 1 0.833 0.0014 . 1 . . . . . 137 Leu HD12 . 27956 1 183 . 1 . 1 137 137 LEU HD13 H 1 0.833 0.0014 . 1 . . . . . 137 Leu HD13 . 27956 1 184 . 1 . 1 137 137 LEU HD21 H 1 0.684 0.0014 . 1 . . . . . 137 Leu HD21 . 27956 1 185 . 1 . 1 137 137 LEU HD22 H 1 0.684 0.0014 . 1 . . . . . 137 Leu HD22 . 27956 1 186 . 1 . 1 137 137 LEU HD23 H 1 0.684 0.0014 . 1 . . . . . 137 Leu HD23 . 27956 1 187 . 1 . 1 137 137 LEU CD1 C 13 24.051 0.0173 . 1 . . . . . 137 Leu CD1 . 27956 1 188 . 1 . 1 137 137 LEU CD2 C 13 24.279 0.0173 . 1 . . . . . 137 Leu CD2 . 27956 1 189 . 1 . 1 140 140 ILE HD11 H 1 0.779 0.0014 . 1 . . . . . 140 Ile HD11 . 27956 1 190 . 1 . 1 140 140 ILE HD12 H 1 0.779 0.0014 . 1 . . . . . 140 Ile HD12 . 27956 1 191 . 1 . 1 140 140 ILE HD13 H 1 0.779 0.0014 . 1 . . . . . 140 Ile HD13 . 27956 1 192 . 1 . 1 140 140 ILE CD1 C 13 13.549 0.0173 . 1 . . . . . 140 Ile CD1 . 27956 1 193 . 1 . 1 142 142 ILE HD11 H 1 0.700 0.0014 . 1 . . . . . 142 Ile HD11 . 27956 1 194 . 1 . 1 142 142 ILE HD12 H 1 0.700 0.0014 . 1 . . . . . 142 Ile HD12 . 27956 1 195 . 1 . 1 142 142 ILE HD13 H 1 0.700 0.0014 . 1 . . . . . 142 Ile HD13 . 27956 1 196 . 1 . 1 142 142 ILE CD1 C 13 12.022 0.0173 . 1 . . . . . 142 Ile CD1 . 27956 1 197 . 1 . 1 147 147 ILE HD11 H 1 0.866 0.0014 . 1 . . . . . 147 Ile HD11 . 27956 1 198 . 1 . 1 147 147 ILE HD12 H 1 0.866 0.0014 . 1 . . . . . 147 Ile HD12 . 27956 1 199 . 1 . 1 147 147 ILE HD13 H 1 0.866 0.0014 . 1 . . . . . 147 Ile HD13 . 27956 1 200 . 1 . 1 147 147 ILE CD1 C 13 12.568 0.0173 . 1 . . . . . 147 Ile CD1 . 27956 1 201 . 1 . 1 150 150 ILE HD11 H 1 1.057 0.0014 . 1 . . . . . 150 Ile HD11 . 27956 1 202 . 1 . 1 150 150 ILE HD12 H 1 1.057 0.0014 . 1 . . . . . 150 Ile HD12 . 27956 1 203 . 1 . 1 150 150 ILE HD13 H 1 1.057 0.0014 . 1 . . . . . 150 Ile HD13 . 27956 1 204 . 1 . 1 150 150 ILE CD1 C 13 15.213 0.0173 . 1 . . . . . 150 Ile CD1 . 27956 1 205 . 1 . 1 151 151 LEU HD11 H 1 0.861 0.0014 . 1 . . . . . 151 Leu HD11 . 27956 1 206 . 1 . 1 151 151 LEU HD12 H 1 0.861 0.0014 . 1 . . . . . 151 Leu HD12 . 27956 1 207 . 1 . 1 151 151 LEU HD13 H 1 0.861 0.0014 . 1 . . . . . 151 Leu HD13 . 27956 1 208 . 1 . 1 151 151 LEU HD21 H 1 0.723 0.0014 . 1 . . . . . 151 Leu HD21 . 27956 1 209 . 1 . 1 151 151 LEU HD22 H 1 0.723 0.0014 . 1 . . . . . 151 Leu HD22 . 27956 1 210 . 1 . 1 151 151 LEU HD23 H 1 0.723 0.0014 . 1 . . . . . 151 Leu HD23 . 27956 1 211 . 1 . 1 151 151 LEU CD1 C 13 25.058 0.0173 . 1 . . . . . 151 Leu CD1 . 27956 1 212 . 1 . 1 151 151 LEU CD2 C 13 22.158 0.0173 . 1 . . . . . 151 Leu CD2 . 27956 1 213 . 1 . 1 160 160 VAL HG11 H 1 1.202 0.0014 . 1 . . . . . 160 Val HG11 . 27956 1 214 . 1 . 1 160 160 VAL HG12 H 1 1.202 0.0014 . 1 . . . . . 160 Val HG12 . 27956 1 215 . 1 . 1 160 160 VAL HG13 H 1 1.202 0.0014 . 1 . . . . . 160 Val HG13 . 27956 1 216 . 1 . 1 160 160 VAL CG1 C 13 23.303 0.0173 . 1 . . . . . 160 Val CG1 . 27956 1 217 . 1 . 1 161 161 VAL CG1 C 13 23.270 0.0173 . 1 . . . . . 161 Val CG1 . 27956 1 218 . 1 . 1 164 164 VAL HG11 H 1 1.086 0.0014 . 1 . . . . . 164 Val HG11 . 27956 1 219 . 1 . 1 164 164 VAL HG12 H 1 1.086 0.0014 . 1 . . . . . 164 Val HG12 . 27956 1 220 . 1 . 1 164 164 VAL HG13 H 1 1.086 0.0014 . 1 . . . . . 164 Val HG13 . 27956 1 221 . 1 . 1 164 164 VAL HG21 H 1 1.015 0.0014 . 1 . . . . . 164 Val HG21 . 27956 1 222 . 1 . 1 164 164 VAL HG22 H 1 1.015 0.0014 . 1 . . . . . 164 Val HG22 . 27956 1 223 . 1 . 1 164 164 VAL HG23 H 1 1.015 0.0014 . 1 . . . . . 164 Val HG23 . 27956 1 224 . 1 . 1 164 164 VAL CG1 C 13 23.402 0.0173 . 1 . . . . . 164 Val CG1 . 27956 1 225 . 1 . 1 164 164 VAL CG2 C 13 23.490 0.0173 . 1 . . . . . 164 Val CG2 . 27956 1 226 . 1 . 1 165 165 LEU HD11 H 1 0.713 0.0014 . 1 . . . . . 165 Leu HD11 . 27956 1 227 . 1 . 1 165 165 LEU HD12 H 1 0.713 0.0014 . 1 . . . . . 165 Leu HD12 . 27956 1 228 . 1 . 1 165 165 LEU HD13 H 1 0.713 0.0014 . 1 . . . . . 165 Leu HD13 . 27956 1 229 . 1 . 1 165 165 LEU HD21 H 1 0.926 0.0014 . 1 . . . . . 165 Leu HD21 . 27956 1 230 . 1 . 1 165 165 LEU HD22 H 1 0.926 0.0014 . 1 . . . . . 165 Leu HD22 . 27956 1 231 . 1 . 1 165 165 LEU HD23 H 1 0.926 0.0014 . 1 . . . . . 165 Leu HD23 . 27956 1 232 . 1 . 1 165 165 LEU CD1 C 13 25.884 0.0173 . 1 . . . . . 165 Leu CD1 . 27956 1 233 . 1 . 1 165 165 LEU CD2 C 13 22.373 0.0173 . 1 . . . . . 165 Leu CD2 . 27956 1 234 . 1 . 1 167 167 LEU HD11 H 1 0.867 0.0014 . 1 . . . . . 167 Leu HD11 . 27956 1 235 . 1 . 1 167 167 LEU HD12 H 1 0.867 0.0014 . 1 . . . . . 167 Leu HD12 . 27956 1 236 . 1 . 1 167 167 LEU HD13 H 1 0.867 0.0014 . 1 . . . . . 167 Leu HD13 . 27956 1 237 . 1 . 1 167 167 LEU CD1 C 13 22.340 0.0173 . 1 . . . . . 167 Leu CD1 . 27956 1 238 . 1 . 1 180 180 LEU HD11 H 1 0.800 0.0014 . 1 . . . . . 180 Leu HD11 . 27956 1 239 . 1 . 1 180 180 LEU HD12 H 1 0.800 0.0014 . 1 . . . . . 180 Leu HD12 . 27956 1 240 . 1 . 1 180 180 LEU HD13 H 1 0.800 0.0014 . 1 . . . . . 180 Leu HD13 . 27956 1 241 . 1 . 1 180 180 LEU HD21 H 1 0.959 0.0014 . 1 . . . . . 180 Leu HD21 . 27956 1 242 . 1 . 1 180 180 LEU HD22 H 1 0.959 0.0014 . 1 . . . . . 180 Leu HD22 . 27956 1 243 . 1 . 1 180 180 LEU HD23 H 1 0.959 0.0014 . 1 . . . . . 180 Leu HD23 . 27956 1 244 . 1 . 1 180 180 LEU CD1 C 13 25.799 0.0173 . 1 . . . . . 180 Leu CD1 . 27956 1 245 . 1 . 1 180 180 LEU CD2 C 13 27.265 0.0173 . 1 . . . . . 180 Leu CD2 . 27956 1 246 . 1 . 1 184 184 ILE HD11 H 1 0.787 0.0014 . 1 . . . . . 184 Ile HD11 . 27956 1 247 . 1 . 1 184 184 ILE HD12 H 1 0.787 0.0014 . 1 . . . . . 184 Ile HD12 . 27956 1 248 . 1 . 1 184 184 ILE HD13 H 1 0.787 0.0014 . 1 . . . . . 184 Ile HD13 . 27956 1 249 . 1 . 1 184 184 ILE CD1 C 13 14.537 0.0173 . 1 . . . . . 184 Ile CD1 . 27956 1 250 . 1 . 1 194 194 ILE HD11 H 1 0.895 0.0014 . 1 . . . . . 194 Ile HD11 . 27956 1 251 . 1 . 1 194 194 ILE HD12 H 1 0.895 0.0014 . 1 . . . . . 194 Ile HD12 . 27956 1 252 . 1 . 1 194 194 ILE HD13 H 1 0.895 0.0014 . 1 . . . . . 194 Ile HD13 . 27956 1 253 . 1 . 1 194 194 ILE CD1 C 13 14.594 0.0173 . 1 . . . . . 194 Ile CD1 . 27956 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 27956 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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 '2D 13C,1H methyl-TROSY HMQC' . . . 27956 2 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 . 2 . 2 4 4 VAL HG11 H 1 0.935 0.0014 . 1 . . . . . 4 Val HG11 . 27956 2 2 . 2 . 2 4 4 VAL HG12 H 1 0.935 0.0014 . 1 . . . . . 4 Val HG12 . 27956 2 3 . 2 . 2 4 4 VAL HG13 H 1 0.935 0.0014 . 1 . . . . . 4 Val HG13 . 27956 2 4 . 2 . 2 4 4 VAL CG1 C 13 22.357 0.0173 . 1 . . . . . 4 Val CG1 . 27956 2 5 . 2 . 2 8 8 ILE HD11 H 1 0.878 0.0014 . 1 . . . . . 8 Ile HD11 . 27956 2 6 . 2 . 2 8 8 ILE HD12 H 1 0.878 0.0014 . 1 . . . . . 8 Ile HD12 . 27956 2 7 . 2 . 2 8 8 ILE HD13 H 1 0.878 0.0014 . 1 . . . . . 8 Ile HD13 . 27956 2 8 . 2 . 2 8 8 ILE CD1 C 13 13.856 0.0173 . 1 . . . . . 8 Ile CD1 . 27956 2 9 . 2 . 2 11 11 LEU HD11 H 1 0.979 0.0014 . 1 . . . . . 11 Leu HD11 . 27956 2 10 . 2 . 2 11 11 LEU HD12 H 1 0.979 0.0014 . 1 . . . . . 11 Leu HD12 . 27956 2 11 . 2 . 2 11 11 LEU HD13 H 1 0.979 0.0014 . 1 . . . . . 11 Leu HD13 . 27956 2 12 . 2 . 2 11 11 LEU HD21 H 1 0.910 0.0014 . 1 . . . . . 11 Leu HD21 . 27956 2 13 . 2 . 2 11 11 LEU HD22 H 1 0.910 0.0014 . 1 . . . . . 11 Leu HD22 . 27956 2 14 . 2 . 2 11 11 LEU HD23 H 1 0.910 0.0014 . 1 . . . . . 11 Leu HD23 . 27956 2 15 . 2 . 2 11 11 LEU CD1 C 13 23.124 0.0173 . 1 . . . . . 11 Leu CD1 . 27956 2 16 . 2 . 2 11 11 LEU CD2 C 13 24.029 0.0173 . 1 . . . . . 11 Leu CD2 . 27956 2 17 . 2 . 2 21 21 LEU HD21 H 1 1.263 0.0014 . 1 . . . . . 21 Leu HD21 . 27956 2 18 . 2 . 2 21 21 LEU HD22 H 1 1.263 0.0014 . 1 . . . . . 21 Leu HD22 . 27956 2 19 . 2 . 2 21 21 LEU HD23 H 1 1.263 0.0014 . 1 . . . . . 21 Leu HD23 . 27956 2 20 . 2 . 2 21 21 LEU CD2 C 13 24.466 0.0173 . 1 . . . . . 21 Leu CD2 . 27956 2 21 . 2 . 2 22 22 ILE HD11 H 1 0.768 0.0014 . 1 . . . . . 22 Ile HD11 . 27956 2 22 . 2 . 2 22 22 ILE HD12 H 1 0.768 0.0014 . 1 . . . . . 22 Ile HD12 . 27956 2 23 . 2 . 2 22 22 ILE HD13 H 1 0.768 0.0014 . 1 . . . . . 22 Ile HD13 . 27956 2 24 . 2 . 2 22 22 ILE CD1 C 13 13.670 0.0173 . 1 . . . . . 22 Ile CD1 . 27956 2 25 . 2 . 2 25 25 VAL HG11 H 1 1.307 0.0014 . 1 . . . . . 25 Val HG11 . 27956 2 26 . 2 . 2 25 25 VAL HG12 H 1 1.307 0.0014 . 1 . . . . . 25 Val HG12 . 27956 2 27 . 2 . 2 25 25 VAL HG13 H 1 1.307 0.0014 . 1 . . . . . 25 Val HG13 . 27956 2 28 . 2 . 2 25 25 VAL CG1 C 13 23.442 0.0173 . 1 . . . . . 25 Val CG1 . 27956 2 29 . 2 . 2 37 37 LEU HD11 H 1 0.896 0.0014 . 1 . . . . . 37 Leu HD11 . 27956 2 30 . 2 . 2 37 37 LEU HD12 H 1 0.896 0.0014 . 1 . . . . . 37 Leu HD12 . 27956 2 31 . 2 . 2 37 37 LEU HD13 H 1 0.896 0.0014 . 1 . . . . . 37 Leu HD13 . 27956 2 32 . 2 . 2 37 37 LEU HD21 H 1 0.827 0.0014 . 1 . . . . . 37 Leu HD21 . 27956 2 33 . 2 . 2 37 37 LEU HD22 H 1 0.827 0.0014 . 1 . . . . . 37 Leu HD22 . 27956 2 34 . 2 . 2 37 37 LEU HD23 H 1 0.827 0.0014 . 1 . . . . . 37 Leu HD23 . 27956 2 35 . 2 . 2 37 37 LEU CD1 C 13 26.514 0.0173 . 1 . . . . . 37 Leu CD1 . 27956 2 36 . 2 . 2 37 37 LEU CD2 C 13 22.123 0.0173 . 1 . . . . . 37 Leu CD2 . 27956 2 37 . 2 . 2 40 40 ILE HD11 H 1 0.426 0.0014 . 1 . . . . . 40 Ile HD11 . 27956 2 38 . 2 . 2 40 40 ILE HD12 H 1 0.426 0.0014 . 1 . . . . . 40 Ile HD12 . 27956 2 39 . 2 . 2 40 40 ILE HD13 H 1 0.426 0.0014 . 1 . . . . . 40 Ile HD13 . 27956 2 40 . 2 . 2 40 40 ILE CD1 C 13 14.431 0.0173 . 1 . . . . . 40 Ile CD1 . 27956 2 41 . 2 . 2 43 43 LEU HD11 H 1 1.035 0.0014 . 1 . . . . . 43 Leu HD11 . 27956 2 42 . 2 . 2 43 43 LEU HD12 H 1 1.035 0.0014 . 1 . . . . . 43 Leu HD12 . 27956 2 43 . 2 . 2 43 43 LEU HD13 H 1 1.035 0.0014 . 1 . . . . . 43 Leu HD13 . 27956 2 44 . 2 . 2 43 43 LEU HD21 H 1 1.017 0.0014 . 1 . . . . . 43 Leu HD21 . 27956 2 45 . 2 . 2 43 43 LEU HD22 H 1 1.017 0.0014 . 1 . . . . . 43 Leu HD22 . 27956 2 46 . 2 . 2 43 43 LEU HD23 H 1 1.017 0.0014 . 1 . . . . . 43 Leu HD23 . 27956 2 47 . 2 . 2 43 43 LEU CD1 C 13 25.572 0.0173 . 1 . . . . . 43 Leu CD1 . 27956 2 48 . 2 . 2 43 43 LEU CD2 C 13 22.495 0.0173 . 1 . . . . . 43 Leu CD2 . 27956 2 49 . 2 . 2 47 47 ILE HD11 H 1 0.904 0.0014 . 1 . . . . . 47 Ile HD11 . 27956 2 50 . 2 . 2 47 47 ILE HD12 H 1 0.904 0.0014 . 1 . . . . . 47 Ile HD12 . 27956 2 51 . 2 . 2 47 47 ILE HD13 H 1 0.904 0.0014 . 1 . . . . . 47 Ile HD13 . 27956 2 52 . 2 . 2 47 47 ILE CD1 C 13 13.068 0.0173 . 1 . . . . . 47 Ile CD1 . 27956 2 53 . 2 . 2 59 59 VAL HG11 H 1 0.740 0.0014 . 1 . . . . . 59 Val HG11 . 27956 2 54 . 2 . 2 59 59 VAL HG12 H 1 0.740 0.0014 . 1 . . . . . 59 Val HG12 . 27956 2 55 . 2 . 2 59 59 VAL HG13 H 1 0.740 0.0014 . 1 . . . . . 59 Val HG13 . 27956 2 56 . 2 . 2 59 59 VAL HG21 H 1 0.774 0.0014 . 1 . . . . . 59 Val HG21 . 27956 2 57 . 2 . 2 59 59 VAL HG22 H 1 0.774 0.0014 . 1 . . . . . 59 Val HG22 . 27956 2 58 . 2 . 2 59 59 VAL HG23 H 1 0.774 0.0014 . 1 . . . . . 59 Val HG23 . 27956 2 59 . 2 . 2 59 59 VAL CG1 C 13 21.386 0.0173 . 1 . . . . . 59 Val CG1 . 27956 2 60 . 2 . 2 59 59 VAL CG2 C 13 21.674 0.0173 . 1 . . . . . 59 Val CG2 . 27956 2 61 . 2 . 2 60 60 VAL HG11 H 1 0.854 0.0014 . 1 . . . . . 60 Val HG11 . 27956 2 62 . 2 . 2 60 60 VAL HG12 H 1 0.854 0.0014 . 1 . . . . . 60 Val HG12 . 27956 2 63 . 2 . 2 60 60 VAL HG13 H 1 0.854 0.0014 . 1 . . . . . 60 Val HG13 . 27956 2 64 . 2 . 2 60 60 VAL HG21 H 1 0.797 0.0014 . 1 . . . . . 60 Val HG21 . 27956 2 65 . 2 . 2 60 60 VAL HG22 H 1 0.797 0.0014 . 1 . . . . . 60 Val HG22 . 27956 2 66 . 2 . 2 60 60 VAL HG23 H 1 0.797 0.0014 . 1 . . . . . 60 Val HG23 . 27956 2 67 . 2 . 2 60 60 VAL CG1 C 13 20.640 0.0173 . 1 . . . . . 60 Val CG1 . 27956 2 68 . 2 . 2 60 60 VAL CG2 C 13 20.719 0.0173 . 1 . . . . . 60 Val CG2 . 27956 2 69 . 2 . 2 61 61 VAL HG11 H 1 0.912 0.0014 . 1 . . . . . 61 Val HG11 . 27956 2 70 . 2 . 2 61 61 VAL HG12 H 1 0.912 0.0014 . 1 . . . . . 61 Val HG12 . 27956 2 71 . 2 . 2 61 61 VAL HG13 H 1 0.912 0.0014 . 1 . . . . . 61 Val HG13 . 27956 2 72 . 2 . 2 61 61 VAL HG21 H 1 0.909 0.0014 . 1 . . . . . 61 Val HG21 . 27956 2 73 . 2 . 2 61 61 VAL HG22 H 1 0.909 0.0014 . 1 . . . . . 61 Val HG22 . 27956 2 74 . 2 . 2 61 61 VAL HG23 H 1 0.909 0.0014 . 1 . . . . . 61 Val HG23 . 27956 2 75 . 2 . 2 61 61 VAL CG1 C 13 22.617 0.0173 . 1 . . . . . 61 Val CG1 . 27956 2 76 . 2 . 2 61 61 VAL CG2 C 13 21.402 0.0173 . 1 . . . . . 61 Val CG2 . 27956 2 77 . 2 . 2 68 68 VAL HG11 H 1 0.776 0.0014 . 1 . . . . . 68 Val HG11 . 27956 2 78 . 2 . 2 68 68 VAL HG12 H 1 0.776 0.0014 . 1 . . . . . 68 Val HG12 . 27956 2 79 . 2 . 2 68 68 VAL HG13 H 1 0.776 0.0014 . 1 . . . . . 68 Val HG13 . 27956 2 80 . 2 . 2 68 68 VAL HG21 H 1 1.021 0.0014 . 1 . . . . . 68 Val HG21 . 27956 2 81 . 2 . 2 68 68 VAL HG22 H 1 1.021 0.0014 . 1 . . . . . 68 Val HG22 . 27956 2 82 . 2 . 2 68 68 VAL HG23 H 1 1.021 0.0014 . 1 . . . . . 68 Val HG23 . 27956 2 83 . 2 . 2 68 68 VAL CG1 C 13 21.632 0.0173 . 1 . . . . . 68 Val CG1 . 27956 2 84 . 2 . 2 68 68 VAL CG2 C 13 22.087 0.0173 . 1 . . . . . 68 Val CG2 . 27956 2 85 . 2 . 2 70 70 LEU HD11 H 1 0.260 0.0014 . 1 . . . . . 70 Leu HD11 . 27956 2 86 . 2 . 2 70 70 LEU HD12 H 1 0.260 0.0014 . 1 . . . . . 70 Leu HD12 . 27956 2 87 . 2 . 2 70 70 LEU HD13 H 1 0.260 0.0014 . 1 . . . . . 70 Leu HD13 . 27956 2 88 . 2 . 2 70 70 LEU HD21 H 1 0.327 0.0014 . 1 . . . . . 70 Leu HD21 . 27956 2 89 . 2 . 2 70 70 LEU HD22 H 1 0.327 0.0014 . 1 . . . . . 70 Leu HD22 . 27956 2 90 . 2 . 2 70 70 LEU HD23 H 1 0.327 0.0014 . 1 . . . . . 70 Leu HD23 . 27956 2 91 . 2 . 2 70 70 LEU CD1 C 13 24.789 0.0173 . 1 . . . . . 70 Leu CD1 . 27956 2 92 . 2 . 2 70 70 LEU CD2 C 13 24.255 0.0173 . 1 . . . . . 70 Leu CD2 . 27956 2 93 . 2 . 2 72 72 VAL HG11 H 1 0.765 0.0014 . 1 . . . . . 72 Val HG11 . 27956 2 94 . 2 . 2 72 72 VAL HG12 H 1 0.765 0.0014 . 1 . . . . . 72 Val HG12 . 27956 2 95 . 2 . 2 72 72 VAL HG13 H 1 0.765 0.0014 . 1 . . . . . 72 Val HG13 . 27956 2 96 . 2 . 2 72 72 VAL HG21 H 1 0.774 0.0014 . 1 . . . . . 72 Val HG21 . 27956 2 97 . 2 . 2 72 72 VAL HG22 H 1 0.774 0.0014 . 1 . . . . . 72 Val HG22 . 27956 2 98 . 2 . 2 72 72 VAL HG23 H 1 0.774 0.0014 . 1 . . . . . 72 Val HG23 . 27956 2 99 . 2 . 2 72 72 VAL CG1 C 13 22.347 0.0173 . 1 . . . . . 72 Val CG1 . 27956 2 100 . 2 . 2 72 72 VAL CG2 C 13 20.011 0.0173 . 1 . . . . . 72 Val CG2 . 27956 2 101 . 2 . 2 73 73 VAL HG11 H 1 0.782 0.0014 . 1 . . . . . 73 Val HG11 . 27956 2 102 . 2 . 2 73 73 VAL HG12 H 1 0.782 0.0014 . 1 . . . . . 73 Val HG12 . 27956 2 103 . 2 . 2 73 73 VAL HG13 H 1 0.782 0.0014 . 1 . . . . . 73 Val HG13 . 27956 2 104 . 2 . 2 73 73 VAL HG21 H 1 0.797 0.0014 . 1 . . . . . 73 Val HG21 . 27956 2 105 . 2 . 2 73 73 VAL HG22 H 1 0.797 0.0014 . 1 . . . . . 73 Val HG22 . 27956 2 106 . 2 . 2 73 73 VAL HG23 H 1 0.797 0.0014 . 1 . . . . . 73 Val HG23 . 27956 2 107 . 2 . 2 73 73 VAL CG1 C 13 20.889 0.0173 . 1 . . . . . 73 Val CG1 . 27956 2 108 . 2 . 2 73 73 VAL CG2 C 13 22.164 0.0173 . 1 . . . . . 73 Val CG2 . 27956 2 109 . 2 . 2 81 81 LEU HD11 H 1 0.775 0.0014 . 1 . . . . . 81 Leu HD11 . 27956 2 110 . 2 . 2 81 81 LEU HD12 H 1 0.775 0.0014 . 1 . . . . . 81 Leu HD12 . 27956 2 111 . 2 . 2 81 81 LEU HD13 H 1 0.775 0.0014 . 1 . . . . . 81 Leu HD13 . 27956 2 112 . 2 . 2 81 81 LEU HD21 H 1 0.683 0.0014 . 1 . . . . . 81 Leu HD21 . 27956 2 113 . 2 . 2 81 81 LEU HD22 H 1 0.683 0.0014 . 1 . . . . . 81 Leu HD22 . 27956 2 114 . 2 . 2 81 81 LEU HD23 H 1 0.683 0.0014 . 1 . . . . . 81 Leu HD23 . 27956 2 115 . 2 . 2 81 81 LEU CD1 C 13 25.265 0.0173 . 1 . . . . . 81 Leu CD1 . 27956 2 116 . 2 . 2 81 81 LEU CD2 C 13 24.211 0.0173 . 1 . . . . . 81 Leu CD2 . 27956 2 117 . 2 . 2 84 84 LEU HD11 H 1 0.788 0.0014 . 1 . . . . . 84 Leu HD11 . 27956 2 118 . 2 . 2 84 84 LEU HD12 H 1 0.788 0.0014 . 1 . . . . . 84 Leu HD12 . 27956 2 119 . 2 . 2 84 84 LEU HD13 H 1 0.788 0.0014 . 1 . . . . . 84 Leu HD13 . 27956 2 120 . 2 . 2 84 84 LEU HD21 H 1 0.710 0.0014 . 1 . . . . . 84 Leu HD21 . 27956 2 121 . 2 . 2 84 84 LEU HD22 H 1 0.710 0.0014 . 1 . . . . . 84 Leu HD22 . 27956 2 122 . 2 . 2 84 84 LEU HD23 H 1 0.710 0.0014 . 1 . . . . . 84 Leu HD23 . 27956 2 123 . 2 . 2 84 84 LEU CD1 C 13 26.459 0.0173 . 1 . . . . . 84 Leu CD1 . 27956 2 124 . 2 . 2 84 84 LEU CD2 C 13 23.289 0.0173 . 1 . . . . . 84 Leu CD2 . 27956 2 125 . 2 . 2 90 90 ILE HD11 H 1 0.912 0.0014 . 1 . . . . . 90 Ile HD11 . 27956 2 126 . 2 . 2 90 90 ILE HD12 H 1 0.912 0.0014 . 1 . . . . . 90 Ile HD12 . 27956 2 127 . 2 . 2 90 90 ILE HD13 H 1 0.912 0.0014 . 1 . . . . . 90 Ile HD13 . 27956 2 128 . 2 . 2 90 90 ILE CD1 C 13 13.097 0.0173 . 1 . . . . . 90 Ile CD1 . 27956 2 129 . 2 . 2 92 92 LEU HD11 H 1 0.057 0.0014 . 1 . . . . . 92 Leu HD11 . 27956 2 130 . 2 . 2 92 92 LEU HD12 H 1 0.057 0.0014 . 1 . . . . . 92 Leu HD12 . 27956 2 131 . 2 . 2 92 92 LEU HD13 H 1 0.057 0.0014 . 1 . . . . . 92 Leu HD13 . 27956 2 132 . 2 . 2 92 92 LEU HD21 H 1 0.310 0.0014 . 1 . . . . . 92 Leu HD21 . 27956 2 133 . 2 . 2 92 92 LEU HD22 H 1 0.310 0.0014 . 1 . . . . . 92 Leu HD22 . 27956 2 134 . 2 . 2 92 92 LEU HD23 H 1 0.310 0.0014 . 1 . . . . . 92 Leu HD23 . 27956 2 135 . 2 . 2 92 92 LEU CD1 C 13 22.093 0.0173 . 1 . . . . . 92 Leu CD1 . 27956 2 136 . 2 . 2 92 92 LEU CD2 C 13 25.930 0.0173 . 1 . . . . . 92 Leu CD2 . 27956 2 137 . 2 . 2 94 94 LEU HD11 H 1 0.847 0.0014 . 1 . . . . . 94 Leu HD11 . 27956 2 138 . 2 . 2 94 94 LEU HD12 H 1 0.847 0.0014 . 1 . . . . . 94 Leu HD12 . 27956 2 139 . 2 . 2 94 94 LEU HD13 H 1 0.847 0.0014 . 1 . . . . . 94 Leu HD13 . 27956 2 140 . 2 . 2 94 94 LEU HD21 H 1 0.940 0.0014 . 1 . . . . . 94 Leu HD21 . 27956 2 141 . 2 . 2 94 94 LEU HD22 H 1 0.940 0.0014 . 1 . . . . . 94 Leu HD22 . 27956 2 142 . 2 . 2 94 94 LEU HD23 H 1 0.940 0.0014 . 1 . . . . . 94 Leu HD23 . 27956 2 143 . 2 . 2 94 94 LEU CD1 C 13 25.003 0.0173 . 1 . . . . . 94 Leu CD1 . 27956 2 144 . 2 . 2 94 94 LEU CD2 C 13 24.188 0.0173 . 1 . . . . . 94 Leu CD2 . 27956 2 145 . 2 . 2 98 98 LEU HD11 H 1 1.012 0.0014 . 1 . . . . . 98 Leu HD11 . 27956 2 146 . 2 . 2 98 98 LEU HD12 H 1 1.012 0.0014 . 1 . . . . . 98 Leu HD12 . 27956 2 147 . 2 . 2 98 98 LEU HD13 H 1 1.012 0.0014 . 1 . . . . . 98 Leu HD13 . 27956 2 148 . 2 . 2 98 98 LEU HD21 H 1 1.006 0.0014 . 1 . . . . . 98 Leu HD21 . 27956 2 149 . 2 . 2 98 98 LEU HD22 H 1 1.006 0.0014 . 1 . . . . . 98 Leu HD22 . 27956 2 150 . 2 . 2 98 98 LEU HD23 H 1 1.006 0.0014 . 1 . . . . . 98 Leu HD23 . 27956 2 151 . 2 . 2 98 98 LEU CD1 C 13 25.567 0.0173 . 1 . . . . . 98 Leu CD1 . 27956 2 152 . 2 . 2 98 98 LEU CD2 C 13 23.625 0.0173 . 1 . . . . . 98 Leu CD2 . 27956 2 153 . 2 . 2 100 100 MET HE1 H 1 1.911 0.0014 . 1 . . . . . 100 Met HE1 . 27956 2 154 . 2 . 2 100 100 MET HE2 H 1 1.911 0.0014 . 1 . . . . . 100 Met HE2 . 27956 2 155 . 2 . 2 100 100 MET HE3 H 1 1.911 0.0014 . 1 . . . . . 100 Met HE3 . 27956 2 156 . 2 . 2 100 100 MET CE C 13 18.240 0.0173 . 1 . . . . . 100 Met CE . 27956 2 157 . 2 . 2 102 102 LEU HD11 H 1 0.936 0.0014 . 1 . . . . . 102 Leu HD11 . 27956 2 158 . 2 . 2 102 102 LEU HD12 H 1 0.936 0.0014 . 1 . . . . . 102 Leu HD12 . 27956 2 159 . 2 . 2 102 102 LEU HD13 H 1 0.936 0.0014 . 1 . . . . . 102 Leu HD13 . 27956 2 160 . 2 . 2 102 102 LEU HD21 H 1 0.957 0.0014 . 1 . . . . . 102 Leu HD21 . 27956 2 161 . 2 . 2 102 102 LEU HD22 H 1 0.957 0.0014 . 1 . . . . . 102 Leu HD22 . 27956 2 162 . 2 . 2 102 102 LEU HD23 H 1 0.957 0.0014 . 1 . . . . . 102 Leu HD23 . 27956 2 163 . 2 . 2 102 102 LEU CD1 C 13 23.683 0.0173 . 1 . . . . . 102 Leu CD1 . 27956 2 164 . 2 . 2 102 102 LEU CD2 C 13 25.363 0.0173 . 1 . . . . . 102 Leu CD2 . 27956 2 165 . 2 . 2 104 104 LEU HD11 H 1 0.931 0.0014 . 1 . . . . . 104 Leu HD11 . 27956 2 166 . 2 . 2 104 104 LEU HD12 H 1 0.931 0.0014 . 1 . . . . . 104 Leu HD12 . 27956 2 167 . 2 . 2 104 104 LEU HD13 H 1 0.931 0.0014 . 1 . . . . . 104 Leu HD13 . 27956 2 168 . 2 . 2 104 104 LEU HD21 H 1 1.029 0.0014 . 1 . . . . . 104 Leu HD21 . 27956 2 169 . 2 . 2 104 104 LEU HD22 H 1 1.029 0.0014 . 1 . . . . . 104 Leu HD22 . 27956 2 170 . 2 . 2 104 104 LEU HD23 H 1 1.029 0.0014 . 1 . . . . . 104 Leu HD23 . 27956 2 171 . 2 . 2 104 104 LEU CD1 C 13 25.828 0.0173 . 1 . . . . . 104 Leu CD1 . 27956 2 172 . 2 . 2 104 104 LEU CD2 C 13 23.361 0.0173 . 1 . . . . . 104 Leu CD2 . 27956 2 173 . 2 . 2 108 108 ILE HD11 H 1 0.711 0.0014 . 1 . . . . . 108 Ile HD11 . 27956 2 174 . 2 . 2 108 108 ILE HD12 H 1 0.711 0.0014 . 1 . . . . . 108 Ile HD12 . 27956 2 175 . 2 . 2 108 108 ILE HD13 H 1 0.711 0.0014 . 1 . . . . . 108 Ile HD13 . 27956 2 176 . 2 . 2 108 108 ILE CD1 C 13 13.292 0.0173 . 1 . . . . . 108 Ile CD1 . 27956 2 177 . 2 . 2 110 110 LEU HD21 H 1 0.782 0.0014 . 1 . . . . . 110 Leu HD21 . 27956 2 178 . 2 . 2 110 110 LEU HD22 H 1 0.782 0.0014 . 1 . . . . . 110 Leu HD22 . 27956 2 179 . 2 . 2 110 110 LEU HD23 H 1 0.782 0.0014 . 1 . . . . . 110 Leu HD23 . 27956 2 180 . 2 . 2 110 110 LEU CD2 C 13 26.397 0.0173 . 1 . . . . . 110 Leu CD2 . 27956 2 181 . 2 . 2 111 111 LEU HD11 H 1 1.089 0.0014 . 1 . . . . . 111 Leu HD11 . 27956 2 182 . 2 . 2 111 111 LEU HD12 H 1 1.089 0.0014 . 1 . . . . . 111 Leu HD12 . 27956 2 183 . 2 . 2 111 111 LEU HD13 H 1 1.089 0.0014 . 1 . . . . . 111 Leu HD13 . 27956 2 184 . 2 . 2 111 111 LEU HD21 H 1 0.999 0.0014 . 1 . . . . . 111 Leu HD21 . 27956 2 185 . 2 . 2 111 111 LEU HD22 H 1 0.999 0.0014 . 1 . . . . . 111 Leu HD22 . 27956 2 186 . 2 . 2 111 111 LEU HD23 H 1 0.999 0.0014 . 1 . . . . . 111 Leu HD23 . 27956 2 187 . 2 . 2 111 111 LEU CD1 C 13 24.008 0.0173 . 1 . . . . . 111 Leu CD1 . 27956 2 188 . 2 . 2 111 111 LEU CD2 C 13 26.264 0.0173 . 1 . . . . . 111 Leu CD2 . 27956 2 189 . 2 . 2 112 112 ILE HD11 H 1 0.648 0.0014 . 1 . . . . . 112 Ile HD11 . 27956 2 190 . 2 . 2 112 112 ILE HD12 H 1 0.648 0.0014 . 1 . . . . . 112 Ile HD12 . 27956 2 191 . 2 . 2 112 112 ILE HD13 H 1 0.648 0.0014 . 1 . . . . . 112 Ile HD13 . 27956 2 192 . 2 . 2 112 112 ILE CD1 C 13 13.225 0.0173 . 1 . . . . . 112 Ile CD1 . 27956 2 193 . 2 . 2 113 113 LEU HD11 H 1 0.902 0.0014 . 1 . . . . . 113 Leu HD11 . 27956 2 194 . 2 . 2 113 113 LEU HD12 H 1 0.902 0.0014 . 1 . . . . . 113 Leu HD12 . 27956 2 195 . 2 . 2 113 113 LEU HD13 H 1 0.902 0.0014 . 1 . . . . . 113 Leu HD13 . 27956 2 196 . 2 . 2 113 113 LEU HD21 H 1 0.875 0.0014 . 1 . . . . . 113 Leu HD21 . 27956 2 197 . 2 . 2 113 113 LEU HD22 H 1 0.875 0.0014 . 1 . . . . . 113 Leu HD22 . 27956 2 198 . 2 . 2 113 113 LEU HD23 H 1 0.875 0.0014 . 1 . . . . . 113 Leu HD23 . 27956 2 199 . 2 . 2 113 113 LEU CD1 C 13 26.454 0.0173 . 1 . . . . . 113 Leu CD1 . 27956 2 200 . 2 . 2 113 113 LEU CD2 C 13 25.567 0.0173 . 1 . . . . . 113 Leu CD2 . 27956 2 201 . 2 . 2 128 128 LEU HD11 H 1 0.833 0.0014 . 1 . . . . . 128 Leu HD11 . 27956 2 202 . 2 . 2 128 128 LEU HD12 H 1 0.833 0.0014 . 1 . . . . . 128 Leu HD12 . 27956 2 203 . 2 . 2 128 128 LEU HD13 H 1 0.833 0.0014 . 1 . . . . . 128 Leu HD13 . 27956 2 204 . 2 . 2 128 128 LEU HD21 H 1 0.880 0.0014 . 1 . . . . . 128 Leu HD21 . 27956 2 205 . 2 . 2 128 128 LEU HD22 H 1 0.880 0.0014 . 1 . . . . . 128 Leu HD22 . 27956 2 206 . 2 . 2 128 128 LEU HD23 H 1 0.880 0.0014 . 1 . . . . . 128 Leu HD23 . 27956 2 207 . 2 . 2 128 128 LEU CD1 C 13 23.129 0.0173 . 1 . . . . . 128 Leu CD1 . 27956 2 208 . 2 . 2 128 128 LEU CD2 C 13 25.789 0.0173 . 1 . . . . . 128 Leu CD2 . 27956 2 209 . 2 . 2 129 129 ILE HD11 H 1 0.865 0.0014 . 1 . . . . . 129 Ile HD11 . 27956 2 210 . 2 . 2 129 129 ILE HD12 H 1 0.865 0.0014 . 1 . . . . . 129 Ile HD12 . 27956 2 211 . 2 . 2 129 129 ILE HD13 H 1 0.865 0.0014 . 1 . . . . . 129 Ile HD13 . 27956 2 212 . 2 . 2 129 129 ILE CD1 C 13 13.375 0.0173 . 1 . . . . . 129 Ile CD1 . 27956 2 213 . 2 . 2 131 131 ILE HD11 H 1 0.368 0.0014 . 1 . . . . . 131 Ile HD11 . 27956 2 214 . 2 . 2 131 131 ILE HD12 H 1 0.368 0.0014 . 1 . . . . . 131 Ile HD12 . 27956 2 215 . 2 . 2 131 131 ILE HD13 H 1 0.368 0.0014 . 1 . . . . . 131 Ile HD13 . 27956 2 216 . 2 . 2 131 131 ILE CD1 C 13 13.698 0.0173 . 1 . . . . . 131 Ile CD1 . 27956 2 217 . 2 . 2 132 132 MET HE1 H 1 2.011 0.0014 . 1 . . . . . 132 Met HE1 . 27956 2 218 . 2 . 2 132 132 MET HE2 H 1 2.011 0.0014 . 1 . . . . . 132 Met HE2 . 27956 2 219 . 2 . 2 132 132 MET HE3 H 1 2.011 0.0014 . 1 . . . . . 132 Met HE3 . 27956 2 220 . 2 . 2 132 132 MET CE C 13 16.799 0.0173 . 1 . . . . . 132 Met CE . 27956 2 221 . 2 . 2 136 136 LEU HD11 H 1 1.018 0.0014 . 1 . . . . . 136 Leu HD11 . 27956 2 222 . 2 . 2 136 136 LEU HD12 H 1 1.018 0.0014 . 1 . . . . . 136 Leu HD12 . 27956 2 223 . 2 . 2 136 136 LEU HD13 H 1 1.018 0.0014 . 1 . . . . . 136 Leu HD13 . 27956 2 224 . 2 . 2 136 136 LEU CD1 C 13 22.558 0.0173 . 1 . . . . . 136 Leu CD1 . 27956 2 225 . 2 . 2 139 139 ILE HD11 H 1 0.860 0.0014 . 1 . . . . . 139 Ile HD11 . 27956 2 226 . 2 . 2 139 139 ILE HD12 H 1 0.860 0.0014 . 1 . . . . . 139 Ile HD12 . 27956 2 227 . 2 . 2 139 139 ILE HD13 H 1 0.860 0.0014 . 1 . . . . . 139 Ile HD13 . 27956 2 228 . 2 . 2 139 139 ILE CD1 C 13 12.710 0.0173 . 1 . . . . . 139 Ile CD1 . 27956 2 229 . 2 . 2 142 142 VAL HG11 H 1 0.958 0.0014 . 1 . . . . . 142 Val HG11 . 27956 2 230 . 2 . 2 142 142 VAL HG12 H 1 0.958 0.0014 . 1 . . . . . 142 Val HG12 . 27956 2 231 . 2 . 2 142 142 VAL HG13 H 1 0.958 0.0014 . 1 . . . . . 142 Val HG13 . 27956 2 232 . 2 . 2 142 142 VAL HG21 H 1 1.089 0.0014 . 1 . . . . . 142 Val HG21 . 27956 2 233 . 2 . 2 142 142 VAL HG22 H 1 1.089 0.0014 . 1 . . . . . 142 Val HG22 . 27956 2 234 . 2 . 2 142 142 VAL HG23 H 1 1.089 0.0014 . 1 . . . . . 142 Val HG23 . 27956 2 235 . 2 . 2 142 142 VAL CG1 C 13 21.001 0.0173 . 1 . . . . . 142 Val CG1 . 27956 2 236 . 2 . 2 142 142 VAL CG2 C 13 23.030 0.0173 . 1 . . . . . 142 Val CG2 . 27956 2 237 . 2 . 2 143 143 ILE HD11 H 1 0.138 0.0014 . 1 . . . . . 143 Ile HD11 . 27956 2 238 . 2 . 2 143 143 ILE HD12 H 1 0.138 0.0014 . 1 . . . . . 143 Ile HD12 . 27956 2 239 . 2 . 2 143 143 ILE HD13 H 1 0.138 0.0014 . 1 . . . . . 143 Ile HD13 . 27956 2 240 . 2 . 2 143 143 ILE CD1 C 13 12.557 0.0173 . 1 . . . . . 143 Ile CD1 . 27956 2 241 . 2 . 2 144 144 LEU HD11 H 1 0.889 0.0014 . 1 . . . . . 144 Leu HD11 . 27956 2 242 . 2 . 2 144 144 LEU HD12 H 1 0.889 0.0014 . 1 . . . . . 144 Leu HD12 . 27956 2 243 . 2 . 2 144 144 LEU HD13 H 1 0.889 0.0014 . 1 . . . . . 144 Leu HD13 . 27956 2 244 . 2 . 2 144 144 LEU HD21 H 1 0.849 0.0014 . 1 . . . . . 144 Leu HD21 . 27956 2 245 . 2 . 2 144 144 LEU HD22 H 1 0.849 0.0014 . 1 . . . . . 144 Leu HD22 . 27956 2 246 . 2 . 2 144 144 LEU HD23 H 1 0.849 0.0014 . 1 . . . . . 144 Leu HD23 . 27956 2 247 . 2 . 2 144 144 LEU CD1 C 13 25.074 0.0173 . 1 . . . . . 144 Leu CD1 . 27956 2 248 . 2 . 2 144 144 LEU CD2 C 13 25.487 0.0173 . 1 . . . . . 144 Leu CD2 . 27956 2 249 . 2 . 2 151 151 LEU HD11 H 1 0.874 0.0014 . 1 . . . . . 151 Leu HD11 . 27956 2 250 . 2 . 2 151 151 LEU HD12 H 1 0.874 0.0014 . 1 . . . . . 151 Leu HD12 . 27956 2 251 . 2 . 2 151 151 LEU HD13 H 1 0.874 0.0014 . 1 . . . . . 151 Leu HD13 . 27956 2 252 . 2 . 2 151 151 LEU HD21 H 1 0.730 0.0014 . 1 . . . . . 151 Leu HD21 . 27956 2 253 . 2 . 2 151 151 LEU HD22 H 1 0.730 0.0014 . 1 . . . . . 151 Leu HD22 . 27956 2 254 . 2 . 2 151 151 LEU HD23 H 1 0.730 0.0014 . 1 . . . . . 151 Leu HD23 . 27956 2 255 . 2 . 2 151 151 LEU CD1 C 13 25.127 0.0173 . 1 . . . . . 151 Leu CD1 . 27956 2 256 . 2 . 2 151 151 LEU CD2 C 13 22.456 0.0173 . 1 . . . . . 151 Leu CD2 . 27956 2 257 . 2 . 2 158 158 VAL HG11 H 1 0.968 0.0014 . 1 . . . . . 158 Val HG11 . 27956 2 258 . 2 . 2 158 158 VAL HG12 H 1 0.968 0.0014 . 1 . . . . . 158 Val HG12 . 27956 2 259 . 2 . 2 158 158 VAL HG13 H 1 0.968 0.0014 . 1 . . . . . 158 Val HG13 . 27956 2 260 . 2 . 2 158 158 VAL HG21 H 1 0.854 0.0014 . 1 . . . . . 158 Val HG21 . 27956 2 261 . 2 . 2 158 158 VAL HG22 H 1 0.854 0.0014 . 1 . . . . . 158 Val HG22 . 27956 2 262 . 2 . 2 158 158 VAL HG23 H 1 0.854 0.0014 . 1 . . . . . 158 Val HG23 . 27956 2 263 . 2 . 2 158 158 VAL CG1 C 13 22.346 0.0173 . 1 . . . . . 158 Val CG1 . 27956 2 264 . 2 . 2 158 158 VAL CG2 C 13 21.592 0.0173 . 1 . . . . . 158 Val CG2 . 27956 2 265 . 2 . 2 159 159 ILE HD11 H 1 0.824 0.0014 . 1 . . . . . 159 Ile HD11 . 27956 2 266 . 2 . 2 159 159 ILE HD12 H 1 0.824 0.0014 . 1 . . . . . 159 Ile HD12 . 27956 2 267 . 2 . 2 159 159 ILE HD13 H 1 0.824 0.0014 . 1 . . . . . 159 Ile HD13 . 27956 2 268 . 2 . 2 159 159 ILE CD1 C 13 14.571 0.0173 . 1 . . . . . 159 Ile CD1 . 27956 2 269 . 2 . 2 161 161 ILE HD11 H 1 0.781 0.0014 . 1 . . . . . 161 Ile HD11 . 27956 2 270 . 2 . 2 161 161 ILE HD12 H 1 0.781 0.0014 . 1 . . . . . 161 Ile HD12 . 27956 2 271 . 2 . 2 161 161 ILE HD13 H 1 0.781 0.0014 . 1 . . . . . 161 Ile HD13 . 27956 2 272 . 2 . 2 161 161 ILE CD1 C 13 13.148 0.0173 . 1 . . . . . 161 Ile CD1 . 27956 2 273 . 2 . 2 163 163 LEU HD11 H 1 0.716 0.0014 . 1 . . . . . 163 Leu HD11 . 27956 2 274 . 2 . 2 163 163 LEU HD12 H 1 0.716 0.0014 . 1 . . . . . 163 Leu HD12 . 27956 2 275 . 2 . 2 163 163 LEU HD13 H 1 0.716 0.0014 . 1 . . . . . 163 Leu HD13 . 27956 2 276 . 2 . 2 163 163 LEU HD21 H 1 0.751 0.0014 . 1 . . . . . 163 Leu HD21 . 27956 2 277 . 2 . 2 163 163 LEU HD22 H 1 0.751 0.0014 . 1 . . . . . 163 Leu HD22 . 27956 2 278 . 2 . 2 163 163 LEU HD23 H 1 0.751 0.0014 . 1 . . . . . 163 Leu HD23 . 27956 2 279 . 2 . 2 163 163 LEU CD1 C 13 23.869 0.0173 . 1 . . . . . 163 Leu CD1 . 27956 2 280 . 2 . 2 163 163 LEU CD2 C 13 24.283 0.0173 . 1 . . . . . 163 Leu CD2 . 27956 2 281 . 2 . 2 170 170 VAL HG11 H 1 1.050 0.0014 . 1 . . . . . 170 Val HG11 . 27956 2 282 . 2 . 2 170 170 VAL HG12 H 1 1.050 0.0014 . 1 . . . . . 170 Val HG12 . 27956 2 283 . 2 . 2 170 170 VAL HG13 H 1 1.050 0.0014 . 1 . . . . . 170 Val HG13 . 27956 2 284 . 2 . 2 170 170 VAL HG21 H 1 0.939 0.0014 . 1 . . . . . 170 Val HG21 . 27956 2 285 . 2 . 2 170 170 VAL HG22 H 1 0.939 0.0014 . 1 . . . . . 170 Val HG22 . 27956 2 286 . 2 . 2 170 170 VAL HG23 H 1 0.939 0.0014 . 1 . . . . . 170 Val HG23 . 27956 2 287 . 2 . 2 170 170 VAL CG1 C 13 21.620 0.0173 . 1 . . . . . 170 Val CG1 . 27956 2 288 . 2 . 2 170 170 VAL CG2 C 13 21.669 0.0173 . 1 . . . . . 170 Val CG2 . 27956 2 289 . 2 . 2 173 173 VAL HG11 H 1 0.918 0.0014 . 1 . . . . . 173 Val HG11 . 27956 2 290 . 2 . 2 173 173 VAL HG12 H 1 0.918 0.0014 . 1 . . . . . 173 Val HG12 . 27956 2 291 . 2 . 2 173 173 VAL HG13 H 1 0.918 0.0014 . 1 . . . . . 173 Val HG13 . 27956 2 292 . 2 . 2 173 173 VAL HG21 H 1 0.967 0.0014 . 1 . . . . . 173 Val HG21 . 27956 2 293 . 2 . 2 173 173 VAL HG22 H 1 0.967 0.0014 . 1 . . . . . 173 Val HG22 . 27956 2 294 . 2 . 2 173 173 VAL HG23 H 1 0.967 0.0014 . 1 . . . . . 173 Val HG23 . 27956 2 295 . 2 . 2 173 173 VAL CG1 C 13 21.529 0.0173 . 1 . . . . . 173 Val CG1 . 27956 2 296 . 2 . 2 173 173 VAL CG2 C 13 20.962 0.0173 . 1 . . . . . 173 Val CG2 . 27956 2 stop_ save_