data_17525 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17525 _Entry.Title ; ATR13 Chemical Shifts ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-03-15 _Entry.Accession_date 2011-03-15 _Entry.Last_release_date 2012-01-18 _Entry.Original_release_date 2012-01-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 21 STRUCTURES' _Entry.Details 'ATR13 Chemical Shifts and Structure' _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.Entry_ID 1 Lauriebeth Leonelli . . . 17525 2 Jeffrey Pelton . G. . 17525 3 David Wemmer . E. . 17525 4 Brian Staskawicz . J. . 17525 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17525 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'nucleolar localization' . 17525 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17525 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 320 17525 '15N chemical shifts' 77 17525 '1H chemical shifts' 479 17525 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-01-18 2011-03-15 original author . 17525 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LAI 'BMRB Entry Tracking System' 17525 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17525 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22194684 _Citation.Full_citation . _Citation.Title 'Structural Elucidation and Functional Characterization of the Hyaloperonospora arabidopsidis Effector Protein ATR13' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Plos Pathog.' _Citation.Journal_name_full . _Citation.Journal_volume 7 _Citation.Journal_issue 12 _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 e1002428 _Citation.Page_last e1002428 _Citation.Year 2011 _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.Entry_ID _Citation_author.Citation_ID 1 Lauriebeth Leonelli . . . 17525 1 2 Jeffery Pelton . . . 17525 1 3 Allyn Schoeffler . . . 17525 1 4 Douglas Dahlbeck . . . 17525 1 5 James Berger . . . 17525 1 6 David Wemmer . E. . 17525 1 7 Brian Staskawicz . . . 17525 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17525 _Assembly.ID 1 _Assembly.Name ATR13 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 ATR13 1 $ATR13 A . yes native no no . . . 17525 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ATR13 _Entity.Sf_category entity _Entity.Sf_framecode ATR13 _Entity.Entry_ID 17525 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ATR13 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SFGLGKAQDPLDKFFSKIIF SGKPIETSYSAKGIHEKIIE AHDLHVSKSKNAPIQYASVM EYLKKTYPGPDIERIVSTLE RHDEVGAKDLGAKLRDALDR QSFGLGKAQDPLDKFFSKII FSGKPIETSYSAKGIHEKII EAHDLHVSKSKNAPIQYASV MEYLKKTYPGPDIERIVSTL ERHDEVGAKDLGAKLRDALD RQ ; _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 202 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 22593.979 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 no PDB 2LAI . "Hyaloperonospora Arabidopsidis Effector Protein Atr13" . . . . . 50.00 101 100.00 100.00 8.96e-64 . . . . 17525 1 2 no GB AAW63765 . "avirulence protein ATR13 [Hyaloperonospora parasitica]" . . . . . 50.00 154 98.02 99.01 8.71e-62 . . . . 17525 1 3 no GB AAW63767 . "avirulence protein ATR13 [Hyaloperonospora parasitica]" . . . . . 50.00 154 100.00 100.00 9.15e-64 . . . . 17525 1 4 no GB AAW63768 . "avirulence protein ATR13 [Hyaloperonospora parasitica]" . . . . . 50.00 154 100.00 100.00 9.15e-64 . . . . 17525 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 54 SER . 17525 1 2 55 PHE . 17525 1 3 56 GLY . 17525 1 4 57 LEU . 17525 1 5 58 GLY . 17525 1 6 59 LYS . 17525 1 7 60 ALA . 17525 1 8 61 GLN . 17525 1 9 62 ASP . 17525 1 10 63 PRO . 17525 1 11 64 LEU . 17525 1 12 65 ASP . 17525 1 13 66 LYS . 17525 1 14 67 PHE . 17525 1 15 68 PHE . 17525 1 16 69 SER . 17525 1 17 70 LYS . 17525 1 18 71 ILE . 17525 1 19 72 ILE . 17525 1 20 73 PHE . 17525 1 21 74 SER . 17525 1 22 75 GLY . 17525 1 23 76 LYS . 17525 1 24 77 PRO . 17525 1 25 78 ILE . 17525 1 26 79 GLU . 17525 1 27 80 THR . 17525 1 28 81 SER . 17525 1 29 82 TYR . 17525 1 30 83 SER . 17525 1 31 84 ALA . 17525 1 32 85 LYS . 17525 1 33 86 GLY . 17525 1 34 87 ILE . 17525 1 35 88 HIS . 17525 1 36 89 GLU . 17525 1 37 90 LYS . 17525 1 38 91 ILE . 17525 1 39 92 ILE . 17525 1 40 93 GLU . 17525 1 41 94 ALA . 17525 1 42 95 HIS . 17525 1 43 96 ASP . 17525 1 44 97 LEU . 17525 1 45 98 HIS . 17525 1 46 99 VAL . 17525 1 47 100 SER . 17525 1 48 101 LYS . 17525 1 49 102 SER . 17525 1 50 103 LYS . 17525 1 51 104 ASN . 17525 1 52 105 ALA . 17525 1 53 106 PRO . 17525 1 54 107 ILE . 17525 1 55 108 GLN . 17525 1 56 109 TYR . 17525 1 57 110 ALA . 17525 1 58 111 SER . 17525 1 59 112 VAL . 17525 1 60 113 MET . 17525 1 61 114 GLU . 17525 1 62 115 TYR . 17525 1 63 116 LEU . 17525 1 64 117 LYS . 17525 1 65 118 LYS . 17525 1 66 119 THR . 17525 1 67 120 TYR . 17525 1 68 121 PRO . 17525 1 69 122 GLY . 17525 1 70 123 PRO . 17525 1 71 124 ASP . 17525 1 72 125 ILE . 17525 1 73 126 GLU . 17525 1 74 127 ARG . 17525 1 75 128 ILE . 17525 1 76 129 VAL . 17525 1 77 130 SER . 17525 1 78 131 THR . 17525 1 79 132 LEU . 17525 1 80 133 GLU . 17525 1 81 134 ARG . 17525 1 82 135 HIS . 17525 1 83 136 ASP . 17525 1 84 137 GLU . 17525 1 85 138 VAL . 17525 1 86 139 GLY . 17525 1 87 140 ALA . 17525 1 88 141 LYS . 17525 1 89 142 ASP . 17525 1 90 143 LEU . 17525 1 91 144 GLY . 17525 1 92 145 ALA . 17525 1 93 146 LYS . 17525 1 94 147 LEU . 17525 1 95 148 ARG . 17525 1 96 149 ASP . 17525 1 97 150 ALA . 17525 1 98 151 LEU . 17525 1 99 152 ASP . 17525 1 100 153 ARG . 17525 1 101 154 GLN . 17525 1 102 155 SER . 17525 1 103 156 PHE . 17525 1 104 157 GLY . 17525 1 105 158 LEU . 17525 1 106 159 GLY . 17525 1 107 160 LYS . 17525 1 108 161 ALA . 17525 1 109 162 GLN . 17525 1 110 163 ASP . 17525 1 111 164 PRO . 17525 1 112 165 LEU . 17525 1 113 166 ASP . 17525 1 114 167 LYS . 17525 1 115 168 PHE . 17525 1 116 169 PHE . 17525 1 117 170 SER . 17525 1 118 171 LYS . 17525 1 119 172 ILE . 17525 1 120 173 ILE . 17525 1 121 174 PHE . 17525 1 122 175 SER . 17525 1 123 176 GLY . 17525 1 124 177 LYS . 17525 1 125 178 PRO . 17525 1 126 179 ILE . 17525 1 127 180 GLU . 17525 1 128 181 THR . 17525 1 129 182 SER . 17525 1 130 183 TYR . 17525 1 131 184 SER . 17525 1 132 185 ALA . 17525 1 133 186 LYS . 17525 1 134 187 GLY . 17525 1 135 188 ILE . 17525 1 136 189 HIS . 17525 1 137 190 GLU . 17525 1 138 191 LYS . 17525 1 139 192 ILE . 17525 1 140 193 ILE . 17525 1 141 194 GLU . 17525 1 142 195 ALA . 17525 1 143 196 HIS . 17525 1 144 197 ASP . 17525 1 145 198 LEU . 17525 1 146 199 HIS . 17525 1 147 200 VAL . 17525 1 148 201 SER . 17525 1 149 202 LYS . 17525 1 150 203 SER . 17525 1 151 204 LYS . 17525 1 152 205 ASN . 17525 1 153 206 ALA . 17525 1 154 207 PRO . 17525 1 155 208 ILE . 17525 1 156 209 GLN . 17525 1 157 210 TYR . 17525 1 158 211 ALA . 17525 1 159 212 SER . 17525 1 160 213 VAL . 17525 1 161 214 MET . 17525 1 162 215 GLU . 17525 1 163 216 TYR . 17525 1 164 217 LEU . 17525 1 165 218 LYS . 17525 1 166 219 LYS . 17525 1 167 220 THR . 17525 1 168 221 TYR . 17525 1 169 222 PRO . 17525 1 170 223 GLY . 17525 1 171 224 PRO . 17525 1 172 225 ASP . 17525 1 173 226 ILE . 17525 1 174 227 GLU . 17525 1 175 228 ARG . 17525 1 176 229 ILE . 17525 1 177 230 VAL . 17525 1 178 231 SER . 17525 1 179 232 THR . 17525 1 180 233 LEU . 17525 1 181 234 GLU . 17525 1 182 235 ARG . 17525 1 183 236 HIS . 17525 1 184 237 ASP . 17525 1 185 238 GLU . 17525 1 186 239 VAL . 17525 1 187 240 GLY . 17525 1 188 241 ALA . 17525 1 189 242 LYS . 17525 1 190 243 ASP . 17525 1 191 244 LEU . 17525 1 192 245 GLY . 17525 1 193 246 ALA . 17525 1 194 247 LYS . 17525 1 195 248 LEU . 17525 1 196 249 ARG . 17525 1 197 250 ASP . 17525 1 198 251 ALA . 17525 1 199 252 LEU . 17525 1 200 253 ASP . 17525 1 201 254 ARG . 17525 1 202 255 GLN . 17525 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 . SER 1 1 17525 1 . PHE 2 2 17525 1 . GLY 3 3 17525 1 . LEU 4 4 17525 1 . GLY 5 5 17525 1 . LYS 6 6 17525 1 . ALA 7 7 17525 1 . GLN 8 8 17525 1 . ASP 9 9 17525 1 . PRO 10 10 17525 1 . LEU 11 11 17525 1 . ASP 12 12 17525 1 . LYS 13 13 17525 1 . PHE 14 14 17525 1 . PHE 15 15 17525 1 . SER 16 16 17525 1 . LYS 17 17 17525 1 . ILE 18 18 17525 1 . ILE 19 19 17525 1 . PHE 20 20 17525 1 . SER 21 21 17525 1 . GLY 22 22 17525 1 . LYS 23 23 17525 1 . PRO 24 24 17525 1 . ILE 25 25 17525 1 . GLU 26 26 17525 1 . THR 27 27 17525 1 . SER 28 28 17525 1 . TYR 29 29 17525 1 . SER 30 30 17525 1 . ALA 31 31 17525 1 . LYS 32 32 17525 1 . GLY 33 33 17525 1 . ILE 34 34 17525 1 . HIS 35 35 17525 1 . GLU 36 36 17525 1 . LYS 37 37 17525 1 . ILE 38 38 17525 1 . ILE 39 39 17525 1 . GLU 40 40 17525 1 . ALA 41 41 17525 1 . HIS 42 42 17525 1 . ASP 43 43 17525 1 . LEU 44 44 17525 1 . HIS 45 45 17525 1 . VAL 46 46 17525 1 . SER 47 47 17525 1 . LYS 48 48 17525 1 . SER 49 49 17525 1 . LYS 50 50 17525 1 . ASN 51 51 17525 1 . ALA 52 52 17525 1 . PRO 53 53 17525 1 . ILE 54 54 17525 1 . GLN 55 55 17525 1 . TYR 56 56 17525 1 . ALA 57 57 17525 1 . SER 58 58 17525 1 . VAL 59 59 17525 1 . MET 60 60 17525 1 . GLU 61 61 17525 1 . TYR 62 62 17525 1 . LEU 63 63 17525 1 . LYS 64 64 17525 1 . LYS 65 65 17525 1 . THR 66 66 17525 1 . TYR 67 67 17525 1 . PRO 68 68 17525 1 . GLY 69 69 17525 1 . PRO 70 70 17525 1 . ASP 71 71 17525 1 . ILE 72 72 17525 1 . GLU 73 73 17525 1 . ARG 74 74 17525 1 . ILE 75 75 17525 1 . VAL 76 76 17525 1 . SER 77 77 17525 1 . THR 78 78 17525 1 . LEU 79 79 17525 1 . GLU 80 80 17525 1 . ARG 81 81 17525 1 . HIS 82 82 17525 1 . ASP 83 83 17525 1 . GLU 84 84 17525 1 . VAL 85 85 17525 1 . GLY 86 86 17525 1 . ALA 87 87 17525 1 . LYS 88 88 17525 1 . ASP 89 89 17525 1 . LEU 90 90 17525 1 . GLY 91 91 17525 1 . ALA 92 92 17525 1 . LYS 93 93 17525 1 . LEU 94 94 17525 1 . ARG 95 95 17525 1 . ASP 96 96 17525 1 . ALA 97 97 17525 1 . LEU 98 98 17525 1 . ASP 99 99 17525 1 . ARG 100 100 17525 1 . GLN 101 101 17525 1 . SER 102 102 17525 1 . PHE 103 103 17525 1 . GLY 104 104 17525 1 . LEU 105 105 17525 1 . GLY 106 106 17525 1 . LYS 107 107 17525 1 . ALA 108 108 17525 1 . GLN 109 109 17525 1 . ASP 110 110 17525 1 . PRO 111 111 17525 1 . LEU 112 112 17525 1 . ASP 113 113 17525 1 . LYS 114 114 17525 1 . PHE 115 115 17525 1 . PHE 116 116 17525 1 . SER 117 117 17525 1 . LYS 118 118 17525 1 . ILE 119 119 17525 1 . ILE 120 120 17525 1 . PHE 121 121 17525 1 . SER 122 122 17525 1 . GLY 123 123 17525 1 . LYS 124 124 17525 1 . PRO 125 125 17525 1 . ILE 126 126 17525 1 . GLU 127 127 17525 1 . THR 128 128 17525 1 . SER 129 129 17525 1 . TYR 130 130 17525 1 . SER 131 131 17525 1 . ALA 132 132 17525 1 . LYS 133 133 17525 1 . GLY 134 134 17525 1 . ILE 135 135 17525 1 . HIS 136 136 17525 1 . GLU 137 137 17525 1 . LYS 138 138 17525 1 . ILE 139 139 17525 1 . ILE 140 140 17525 1 . GLU 141 141 17525 1 . ALA 142 142 17525 1 . HIS 143 143 17525 1 . ASP 144 144 17525 1 . LEU 145 145 17525 1 . HIS 146 146 17525 1 . VAL 147 147 17525 1 . SER 148 148 17525 1 . LYS 149 149 17525 1 . SER 150 150 17525 1 . LYS 151 151 17525 1 . ASN 152 152 17525 1 . ALA 153 153 17525 1 . PRO 154 154 17525 1 . ILE 155 155 17525 1 . GLN 156 156 17525 1 . TYR 157 157 17525 1 . ALA 158 158 17525 1 . SER 159 159 17525 1 . VAL 160 160 17525 1 . MET 161 161 17525 1 . GLU 162 162 17525 1 . TYR 163 163 17525 1 . LEU 164 164 17525 1 . LYS 165 165 17525 1 . LYS 166 166 17525 1 . THR 167 167 17525 1 . TYR 168 168 17525 1 . PRO 169 169 17525 1 . GLY 170 170 17525 1 . PRO 171 171 17525 1 . ASP 172 172 17525 1 . ILE 173 173 17525 1 . GLU 174 174 17525 1 . ARG 175 175 17525 1 . ILE 176 176 17525 1 . VAL 177 177 17525 1 . SER 178 178 17525 1 . THR 179 179 17525 1 . LEU 180 180 17525 1 . GLU 181 181 17525 1 . ARG 182 182 17525 1 . HIS 183 183 17525 1 . ASP 184 184 17525 1 . GLU 185 185 17525 1 . VAL 186 186 17525 1 . GLY 187 187 17525 1 . ALA 188 188 17525 1 . LYS 189 189 17525 1 . ASP 190 190 17525 1 . LEU 191 191 17525 1 . GLY 192 192 17525 1 . ALA 193 193 17525 1 . LYS 194 194 17525 1 . LEU 195 195 17525 1 . ARG 196 196 17525 1 . ASP 197 197 17525 1 . ALA 198 198 17525 1 . LEU 199 199 17525 1 . ASP 200 200 17525 1 . ARG 201 201 17525 1 . GLN 202 202 17525 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17525 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $ATR13 . 123356 organism . 'Hyaloperonospora parasitica' 'Hyaloperonospora parasitica' . . Eukaryota . Hyaloperonospora parasitica . . . . . . . . . . . . . . . . . . . . . 17525 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 17525 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $ATR13 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-DUET1 . . . . . . 17525 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17525 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ATR13 '[U-100% 13C; U-100% 15N]' . . 1 $ATR13 . . 1 . . mM 0.1 . . . 17525 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM 1 . . . 17525 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM 5 . . . 17525 1 4 D2O '[U-99% 2H]' . . . . . . 10 . . % 0.5 . . . 17525 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17525 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17525 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ATR13 '[U-98% 15N]' . . 1 $ATR13 . . 1 . . mM 0.1 . . . 17525 2 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM 1 . . . 17525 2 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM 5 . . . 17525 2 4 D2O '[U-99% 2H]' . . . . . . 10 . . % 1 . . . 17525 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17525 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17525 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ATR13 '[U-10% 13C; U-99% 15N]' . . 1 $ATR13 . . 1 . . mM 0.1 . . . 17525 3 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM 1 . . . 17525 3 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM 5 . . . 17525 3 4 D2O '[U-99% 2H]' . . . . . . 10 . . % 1 . . . 17525 3 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17525 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 17525 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ATR13 '[U-98% 15N]' . . 1 $ATR13 . . 1 . . mM 0.1 . . . 17525 4 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM 1 . . . 17525 4 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM 5 . . . 17525 4 4 D2O '[U-99% 2H]' . . . . . . 10 . . % 1 . . . 17525 4 5 'Pf1 phage' 'natural abundance' . . . . . . 12 . . mg/ml 1 . . . 17525 4 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17525 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17525 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 210 10 mM 17525 1 pH 7.1 0.1 pH 17525 1 pressure 1 . atm 17525 1 temperature 298 2 K 17525 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17525 _Software.ID 1 _Software.Name NMRPipe _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17525 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17525 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17525 _Software.ID 2 _Software.Name CARA _Software.Version 1.8.4.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 17525 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17525 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17525 _Software.ID 3 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17525 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17525 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17525 _Software.ID 4 _Software.Name CNS _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17525 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17525 4 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 17525 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17525 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17525 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 17525 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 Spectrometer_1 Bruker Avance . 500 . . . 17525 1 2 Spectrometer_2 Bruker Avance . 800 . . . 17525 1 3 Spectrometer_3 Bruker 'Avance II' . 900 . . . 17525 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 17525 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17525 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17525 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17525 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17525 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17525 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17525 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17525 1 8 '3D (H)CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17525 1 9 '3D (H)CCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17525 1 10 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17525 1 11 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17525 1 12 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17525 1 13 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17525 1 14 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17525 1 15 '3D HNHA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17525 1 16 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17525 1 17 '2D IPAP' no . . . . . . . . . . 4 $sample_4 anisotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17525 1 18 '2D 15N Heteronuclear NOE' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17525 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 17525 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 17525 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17525 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17525 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 17525 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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 1H-15N HSQC' . . . 17525 1 2 '3D HNCACB' . . . 17525 1 3 '3D CBCA(CO)NH' . . . 17525 1 4 '3D HNCO' . . . 17525 1 5 '3D HN(CA)CO' . . . 17525 1 7 '3D HCCH-TOCSY' . . . 17525 1 8 '3D (H)CCH-TOCSY' . . . 17525 1 9 '3D (H)CCH-COSY' . . . 17525 1 10 '3D 1H-15N TOCSY' . . . 17525 1 11 '3D H(CCO)NH' . . . 17525 1 12 '3D C(CO)NH' . . . 17525 1 13 '3D HCCH-COSY' . . . 17525 1 16 '2D 1H-13C HSQC' . . . 17525 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 GLY H H 1 8.382 0.02 . 1 . . . . 56 GLY H . 17525 1 2 . 1 1 3 3 GLY HA3 H 1 3.875 0.02 . 2 . . . . 56 GLY HA3 . 17525 1 3 . 1 1 3 3 GLY C C 13 173.928 0.30 . 1 . . . . 56 GLY C . 17525 1 4 . 1 1 3 3 GLY CA C 13 45.508 0.30 . 1 . . . . 56 GLY CA . 17525 1 5 . 1 1 3 3 GLY N N 15 110.803 0.30 . 1 . . . . 56 GLY N . 17525 1 6 . 1 1 4 4 LEU H H 1 8.139 0.02 . 1 . . . . 57 LEU H . 17525 1 7 . 1 1 4 4 LEU HA H 1 4.287 0.02 . 1 . . . . 57 LEU HA . 17525 1 8 . 1 1 4 4 LEU HB2 H 1 1.611 0.02 . 2 . . . . 57 LEU HB2 . 17525 1 9 . 1 1 4 4 LEU HB3 H 1 1.564 0.02 . 2 . . . . 57 LEU HB3 . 17525 1 10 . 1 1 4 4 LEU HG H 1 1.718 0.02 . 1 . . . . 57 LEU HG . 17525 1 11 . 1 1 4 4 LEU HD11 H 1 0.843 0.02 . 1 . . . . 57 LEU HD11 . 17525 1 12 . 1 1 4 4 LEU HD12 H 1 0.843 0.02 . 1 . . . . 57 LEU HD12 . 17525 1 13 . 1 1 4 4 LEU HD13 H 1 0.843 0.02 . 1 . . . . 57 LEU HD13 . 17525 1 14 . 1 1 4 4 LEU HD21 H 1 0.800 0.02 . 1 . . . . 57 LEU HD21 . 17525 1 15 . 1 1 4 4 LEU HD22 H 1 0.800 0.02 . 1 . . . . 57 LEU HD22 . 17525 1 16 . 1 1 4 4 LEU HD23 H 1 0.800 0.02 . 1 . . . . 57 LEU HD23 . 17525 1 17 . 1 1 4 4 LEU C C 13 178.003 0.30 . 1 . . . . 57 LEU C . 17525 1 18 . 1 1 4 4 LEU CA C 13 55.521 0.30 . 1 . . . . 57 LEU CA . 17525 1 19 . 1 1 4 4 LEU CB C 13 42.380 0.30 . 1 . . . . 57 LEU CB . 17525 1 20 . 1 1 4 4 LEU CG C 13 26.769 0.30 . 1 . . . . 57 LEU CG . 17525 1 21 . 1 1 4 4 LEU CD1 C 13 24.917 0.30 . 1 . . . . 57 LEU CD1 . 17525 1 22 . 1 1 4 4 LEU CD2 C 13 23.594 0.30 . 1 . . . . 57 LEU CD2 . 17525 1 23 . 1 1 4 4 LEU N N 15 121.611 0.30 . 1 . . . . 57 LEU N . 17525 1 24 . 1 1 5 5 GLY H H 1 8.510 0.02 . 1 . . . . 58 GLY H . 17525 1 25 . 1 1 5 5 GLY HA2 H 1 3.902 0.02 . 2 . . . . 58 GLY HA2 . 17525 1 26 . 1 1 5 5 GLY C C 13 174.247 0.30 . 1 . . . . 58 GLY C . 17525 1 27 . 1 1 5 5 GLY CA C 13 45.849 0.30 . 1 . . . . 58 GLY CA . 17525 1 28 . 1 1 5 5 GLY N N 15 109.895 0.30 . 1 . . . . 58 GLY N . 17525 1 29 . 1 1 6 6 LYS H H 1 8.136 0.02 . 1 . . . . 59 LYS H . 17525 1 30 . 1 1 6 6 LYS HA H 1 4.269 0.02 . 1 . . . . 59 LYS HA . 17525 1 31 . 1 1 6 6 LYS HB2 H 1 1.699 0.02 . 2 . . . . 59 LYS HB2 . 17525 1 32 . 1 1 6 6 LYS HB3 H 1 1.796 0.02 . 2 . . . . 59 LYS HB3 . 17525 1 33 . 1 1 6 6 LYS HG2 H 1 1.476 0.02 . 2 . . . . 59 LYS HG2 . 17525 1 34 . 1 1 6 6 LYS HG3 H 1 1.348 0.02 . 2 . . . . 59 LYS HG3 . 17525 1 35 . 1 1 6 6 LYS HD2 H 1 1.567 0.02 . 2 . . . . 59 LYS HD2 . 17525 1 36 . 1 1 6 6 LYS HD3 H 1 1.633 0.02 . 2 . . . . 59 LYS HD3 . 17525 1 37 . 1 1 6 6 LYS HE2 H 1 2.909 0.02 . 2 . . . . 59 LYS HE2 . 17525 1 38 . 1 1 6 6 LYS HE3 H 1 2.949 0.02 . 2 . . . . 59 LYS HE3 . 17525 1 39 . 1 1 6 6 LYS C C 13 176.347 0.30 . 1 . . . . 59 LYS C . 17525 1 40 . 1 1 6 6 LYS CA C 13 56.457 0.30 . 1 . . . . 59 LYS CA . 17525 1 41 . 1 1 6 6 LYS CB C 13 33.289 0.30 . 1 . . . . 59 LYS CB . 17525 1 42 . 1 1 6 6 LYS CG C 13 24.829 0.30 . 1 . . . . 59 LYS CG . 17525 1 43 . 1 1 6 6 LYS CD C 13 29.239 0.30 . 1 . . . . 59 LYS CD . 17525 1 44 . 1 1 6 6 LYS CE C 13 42.292 0.30 . 1 . . . . 59 LYS CE . 17525 1 45 . 1 1 6 6 LYS N N 15 120.858 0.30 . 1 . . . . 59 LYS N . 17525 1 46 . 1 1 7 7 ALA H H 1 8.300 0.02 . 1 . . . . 60 ALA H . 17525 1 47 . 1 1 7 7 ALA HA H 1 4.293 0.02 . 1 . . . . 60 ALA HA . 17525 1 48 . 1 1 7 7 ALA HB1 H 1 1.339 0.02 . 1 . . . . 60 ALA HB1 . 17525 1 49 . 1 1 7 7 ALA HB2 H 1 1.339 0.02 . 1 . . . . 60 ALA HB2 . 17525 1 50 . 1 1 7 7 ALA HB3 H 1 1.339 0.02 . 1 . . . . 60 ALA HB3 . 17525 1 51 . 1 1 7 7 ALA C C 13 177.302 0.30 . 1 . . . . 60 ALA C . 17525 1 52 . 1 1 7 7 ALA CA C 13 52.723 0.30 . 1 . . . . 60 ALA CA . 17525 1 53 . 1 1 7 7 ALA CB C 13 19.605 0.30 . 1 . . . . 60 ALA CB . 17525 1 54 . 1 1 7 7 ALA N N 15 124.767 0.30 . 1 . . . . 60 ALA N . 17525 1 55 . 1 1 8 8 GLN H H 1 8.386 0.02 . 1 . . . . 61 GLN H . 17525 1 56 . 1 1 8 8 GLN HA H 1 4.313 0.02 . 1 . . . . 61 GLN HA . 17525 1 57 . 1 1 8 8 GLN HB2 H 1 1.966 0.02 . 2 . . . . 61 GLN HB2 . 17525 1 58 . 1 1 8 8 GLN HB3 H 1 2.072 0.02 . 2 . . . . 61 GLN HB3 . 17525 1 59 . 1 1 8 8 GLN HG2 H 1 2.386 0.02 . 2 . . . . 61 GLN HG2 . 17525 1 60 . 1 1 8 8 GLN HG3 H 1 2.321 0.02 . 2 . . . . 61 GLN HG3 . 17525 1 61 . 1 1 8 8 GLN C C 13 175.584 0.30 . 1 . . . . 61 GLN C . 17525 1 62 . 1 1 8 8 GLN CA C 13 56.138 0.30 . 1 . . . . 61 GLN CA . 17525 1 63 . 1 1 8 8 GLN CB C 13 30.828 0.30 . 1 . . . . 61 GLN CB . 17525 1 64 . 1 1 8 8 GLN CG C 13 34.178 0.30 . 1 . . . . 61 GLN CG . 17525 1 65 . 1 1 8 8 GLN N N 15 119.973 0.30 . 1 . . . . 61 GLN N . 17525 1 66 . 1 1 9 9 ASP H H 1 8.979 0.02 . 1 . . . . 62 ASP H . 17525 1 67 . 1 1 9 9 ASP HA H 1 4.853 0.02 . 1 . . . . 62 ASP HA . 17525 1 68 . 1 1 9 9 ASP HB2 H 1 2.890 0.02 . 2 . . . . 62 ASP HB2 . 17525 1 69 . 1 1 9 9 ASP HB3 H 1 2.782 0.02 . 2 . . . . 62 ASP HB3 . 17525 1 70 . 1 1 9 9 ASP C C 13 175.170 0.30 . 1 . . . . 62 ASP C . 17525 1 71 . 1 1 9 9 ASP CA C 13 53.140 0.30 . 1 . . . . 62 ASP CA . 17525 1 72 . 1 1 9 9 ASP CB C 13 43.913 0.30 . 1 . . . . 62 ASP CB . 17525 1 73 . 1 1 9 9 ASP N N 15 125.485 0.30 . 1 . . . . 62 ASP N . 17525 1 74 . 1 1 11 11 LEU H H 1 9.121 0.02 . 1 . . . . 64 LEU H . 17525 1 75 . 1 1 11 11 LEU HA H 1 3.998 0.02 . 1 . . . . 64 LEU HA . 17525 1 76 . 1 1 11 11 LEU HB2 H 1 2.211 0.02 . 2 . . . . 64 LEU HB2 . 17525 1 77 . 1 1 11 11 LEU HB3 H 1 1.382 0.02 . 2 . . . . 64 LEU HB3 . 17525 1 78 . 1 1 11 11 LEU HG H 1 0.996 0.02 . 1 . . . . 64 LEU HG . 17525 1 79 . 1 1 11 11 LEU HD11 H 1 0.467 0.02 . 1 . . . . 64 LEU HD11 . 17525 1 80 . 1 1 11 11 LEU HD12 H 1 0.467 0.02 . 1 . . . . 64 LEU HD12 . 17525 1 81 . 1 1 11 11 LEU HD13 H 1 0.467 0.02 . 1 . . . . 64 LEU HD13 . 17525 1 82 . 1 1 11 11 LEU HD21 H 1 0.587 0.02 . 1 . . . . 64 LEU HD21 . 17525 1 83 . 1 1 11 11 LEU HD22 H 1 0.587 0.02 . 1 . . . . 64 LEU HD22 . 17525 1 84 . 1 1 11 11 LEU HD23 H 1 0.587 0.02 . 1 . . . . 64 LEU HD23 . 17525 1 85 . 1 1 11 11 LEU C C 13 177.867 0.30 . 1 . . . . 64 LEU C . 17525 1 86 . 1 1 11 11 LEU CA C 13 58.918 0.30 . 1 . . . . 64 LEU CA . 17525 1 87 . 1 1 11 11 LEU CB C 13 41.426 0.30 . 1 . . . . 64 LEU CB . 17525 1 88 . 1 1 11 11 LEU CG C 13 26.071 0.30 . 1 . . . . 64 LEU CG . 17525 1 89 . 1 1 11 11 LEU CD1 C 13 24.271 0.30 . 1 . . . . 64 LEU CD1 . 17525 1 90 . 1 1 11 11 LEU CD2 C 13 24.811 0.30 . 1 . . . . 64 LEU CD2 . 17525 1 91 . 1 1 11 11 LEU N N 15 119.663 0.30 . 1 . . . . 64 LEU N . 17525 1 92 . 1 1 12 12 ASP H H 1 7.321 0.02 . 1 . . . . 65 ASP H . 17525 1 93 . 1 1 12 12 ASP HA H 1 4.341 0.02 . 1 . . . . 65 ASP HA . 17525 1 94 . 1 1 12 12 ASP HB2 H 1 2.658 0.02 . 2 . . . . 65 ASP HB2 . 17525 1 95 . 1 1 12 12 ASP HB3 H 1 2.741 0.02 . 2 . . . . 65 ASP HB3 . 17525 1 96 . 1 1 12 12 ASP C C 13 179.403 0.30 . 1 . . . . 65 ASP C . 17525 1 97 . 1 1 12 12 ASP CA C 13 57.402 0.30 . 1 . . . . 65 ASP CA . 17525 1 98 . 1 1 12 12 ASP CB C 13 41.145 0.30 . 1 . . . . 65 ASP CB . 17525 1 99 . 1 1 12 12 ASP N N 15 118.682 0.30 . 1 . . . . 65 ASP N . 17525 1 100 . 1 1 13 13 LYS H H 1 8.621 0.02 . 1 . . . . 66 LYS H . 17525 1 101 . 1 1 13 13 LYS HA H 1 3.857 0.02 . 1 . . . . 66 LYS HA . 17525 1 102 . 1 1 13 13 LYS HB2 H 1 1.925 0.02 . 2 . . . . 66 LYS HB2 . 17525 1 103 . 1 1 13 13 LYS HB3 H 1 1.724 0.02 . 2 . . . . 66 LYS HB3 . 17525 1 104 . 1 1 13 13 LYS C C 13 178.066 0.30 . 1 . . . . 66 LYS C . 17525 1 105 . 1 1 13 13 LYS CA C 13 60.222 0.30 . 1 . . . . 66 LYS CA . 17525 1 106 . 1 1 13 13 LYS CB C 13 33.219 0.30 . 1 . . . . 66 LYS CB . 17525 1 107 . 1 1 13 13 LYS CG C 13 24.901 0.30 . 1 . . . . 66 LYS CG . 17525 1 108 . 1 1 13 13 LYS CD C 13 29.491 0.30 . 1 . . . . 66 LYS CD . 17525 1 109 . 1 1 13 13 LYS CE C 13 42.360 0.30 . 1 . . . . 66 LYS CE . 17525 1 110 . 1 1 13 13 LYS N N 15 119.973 0.30 . 1 . . . . 66 LYS N . 17525 1 111 . 1 1 14 14 PHE H H 1 7.595 0.02 . 1 . . . . 67 PHE H . 17525 1 112 . 1 1 14 14 PHE HA H 1 4.121 0.02 . 1 . . . . 67 PHE HA . 17525 1 113 . 1 1 14 14 PHE HB2 H 1 2.652 0.02 . 2 . . . . 67 PHE HB2 . 17525 1 114 . 1 1 14 14 PHE HB3 H 1 3.138 0.02 . 2 . . . . 67 PHE HB3 . 17525 1 115 . 1 1 14 14 PHE HD1 H 1 6.660 0.02 . 2 . . . . 67 PHE HD1 . 17525 1 116 . 1 1 14 14 PHE HE1 H 1 6.450 0.02 . 3 . . . . 67 PHE HE1 . 17525 1 117 . 1 1 14 14 PHE C C 13 176.952 0.30 . 1 . . . . 67 PHE C . 17525 1 118 . 1 1 14 14 PHE CA C 13 61.799 0.30 . 1 . . . . 67 PHE CA . 17525 1 119 . 1 1 14 14 PHE CB C 13 39.930 0.30 . 1 . . . . 67 PHE CB . 17525 1 120 . 1 1 14 14 PHE CD1 C 13 131.200 0.30 . 2 . . . . 67 PHE CD1 . 17525 1 121 . 1 1 14 14 PHE CE2 C 13 131.200 0.30 . 3 . . . . 67 PHE CE2 . 17525 1 122 . 1 1 14 14 PHE N N 15 117.707 0.30 . 1 . . . . 67 PHE N . 17525 1 123 . 1 1 15 15 PHE H H 1 8.670 0.02 . 1 . . . . 68 PHE H . 17525 1 124 . 1 1 15 15 PHE HA H 1 4.770 0.02 . 1 . . . . 68 PHE HA . 17525 1 125 . 1 1 15 15 PHE HB2 H 1 4.000 0.02 . 2 . . . . 68 PHE HB2 . 17525 1 126 . 1 1 15 15 PHE HB3 H 1 3.900 0.02 . 2 . . . . 68 PHE HB3 . 17525 1 127 . 1 1 15 15 PHE HD1 H 1 7.620 0.02 . 3 . . . . 68 PHE HD1 . 17525 1 128 . 1 1 15 15 PHE HE1 H 1 6.710 0.02 . 3 . . . . 68 PHE HE1 . 17525 1 129 . 1 1 15 15 PHE CA C 13 63.301 0.30 . 1 . . . . 68 PHE CA . 17525 1 130 . 1 1 15 15 PHE CD1 C 13 133.600 0.30 . 2 . . . . 68 PHE CD1 . 17525 1 131 . 1 1 15 15 PHE CE1 C 13 131.400 0.30 . 3 . . . . 68 PHE CE1 . 17525 1 132 . 1 1 15 15 PHE N N 15 115.412 0.30 . 1 . . . . 68 PHE N . 17525 1 133 . 1 1 16 16 SER H H 1 8.623 0.02 . 1 . . . . 69 SER H . 17525 1 134 . 1 1 16 16 SER HA H 1 3.955 0.02 . 1 . . . . 69 SER HA . 17525 1 135 . 1 1 16 16 SER HB2 H 1 3.510 0.02 . 2 . . . . 69 SER HB2 . 17525 1 136 . 1 1 16 16 SER HB3 H 1 3.280 0.02 . 2 . . . . 69 SER HB3 . 17525 1 137 . 1 1 16 16 SER C C 13 175.743 0.30 . 1 . . . . 69 SER C . 17525 1 138 . 1 1 16 16 SER CA C 13 62.797 0.30 . 1 . . . . 69 SER CA . 17525 1 139 . 1 1 16 16 SER CB C 13 63.000 0.30 . 1 . . . . 69 SER CB . 17525 1 140 . 1 1 16 16 SER N N 15 115.040 0.30 . 1 . . . . 69 SER N . 17525 1 141 . 1 1 17 17 LYS H H 1 7.014 0.02 . 1 . . . . 70 LYS H . 17525 1 142 . 1 1 17 17 LYS HA H 1 3.997 0.02 . 1 . . . . 70 LYS HA . 17525 1 143 . 1 1 17 17 LYS HB2 H 1 1.755 0.02 . 2 . . . . 70 LYS HB2 . 17525 1 144 . 1 1 17 17 LYS HB3 H 1 1.755 0.02 . 2 . . . . 70 LYS HB3 . 17525 1 145 . 1 1 17 17 LYS C C 13 179.053 0.30 . 1 . . . . 70 LYS C . 17525 1 146 . 1 1 17 17 LYS N N 15 120.218 0.30 . 1 . . . . 70 LYS N . 17525 1 147 . 1 1 18 18 ILE H H 1 6.922 0.02 . 1 . . . . 71 ILE H . 17525 1 148 . 1 1 18 18 ILE HA H 1 3.598 0.02 . 1 . . . . 71 ILE HA . 17525 1 149 . 1 1 18 18 ILE HB H 1 1.928 0.02 . 1 . . . . 71 ILE HB . 17525 1 150 . 1 1 18 18 ILE HG12 H 1 0.592 0.02 . 2 . . . . 71 ILE HG12 . 17525 1 151 . 1 1 18 18 ILE HG13 H 1 0.991 0.02 . 2 . . . . 71 ILE HG13 . 17525 1 152 . 1 1 18 18 ILE HG21 H 1 0.759 0.02 . 1 . . . . 71 ILE HG21 . 17525 1 153 . 1 1 18 18 ILE HG22 H 1 0.759 0.02 . 1 . . . . 71 ILE HG22 . 17525 1 154 . 1 1 18 18 ILE HG23 H 1 0.759 0.02 . 1 . . . . 71 ILE HG23 . 17525 1 155 . 1 1 18 18 ILE HD11 H 1 0.125 0.02 . 1 . . . . 71 ILE HD11 . 17525 1 156 . 1 1 18 18 ILE HD12 H 1 0.125 0.02 . 1 . . . . 71 ILE HD12 . 17525 1 157 . 1 1 18 18 ILE HD13 H 1 0.125 0.02 . 1 . . . . 71 ILE HD13 . 17525 1 158 . 1 1 18 18 ILE C C 13 180.294 0.30 . 1 . . . . 71 ILE C . 17525 1 159 . 1 1 18 18 ILE CA C 13 64.680 0.30 . 1 . . . . 71 ILE CA . 17525 1 160 . 1 1 18 18 ILE CB C 13 38.279 0.30 . 1 . . . . 71 ILE CB . 17525 1 161 . 1 1 18 18 ILE CG1 C 13 28.004 0.30 . 1 . . . . 71 ILE CG1 . 17525 1 162 . 1 1 18 18 ILE CG2 C 13 16.761 0.30 . 1 . . . . 71 ILE CG2 . 17525 1 163 . 1 1 18 18 ILE CD1 C 13 11.816 0.30 . 1 . . . . 71 ILE CD1 . 17525 1 164 . 1 1 18 18 ILE N N 15 118.975 0.30 . 1 . . . . 71 ILE N . 17525 1 165 . 1 1 19 19 ILE H H 1 8.726 0.02 . 1 . . . . 72 ILE H . 17525 1 166 . 1 1 19 19 ILE HA H 1 3.776 0.02 . 1 . . . . 72 ILE HA . 17525 1 167 . 1 1 19 19 ILE HB H 1 1.430 0.02 . 1 . . . . 72 ILE HB . 17525 1 168 . 1 1 19 19 ILE HG12 H 1 1.176 0.02 . 2 . . . . 72 ILE HG12 . 17525 1 169 . 1 1 19 19 ILE HG13 H 1 0.869 0.02 . 2 . . . . 72 ILE HG13 . 17525 1 170 . 1 1 19 19 ILE HG21 H 1 0.617 0.02 . 1 . . . . 72 ILE HG21 . 17525 1 171 . 1 1 19 19 ILE HG22 H 1 0.617 0.02 . 1 . . . . 72 ILE HG22 . 17525 1 172 . 1 1 19 19 ILE HG23 H 1 0.617 0.02 . 1 . . . . 72 ILE HG23 . 17525 1 173 . 1 1 19 19 ILE HD11 H 1 0.393 0.02 . 1 . . . . 72 ILE HD11 . 17525 1 174 . 1 1 19 19 ILE HD12 H 1 0.393 0.02 . 1 . . . . 72 ILE HD12 . 17525 1 175 . 1 1 19 19 ILE HD13 H 1 0.393 0.02 . 1 . . . . 72 ILE HD13 . 17525 1 176 . 1 1 19 19 ILE CA C 13 65.602 0.30 . 1 . . . . 72 ILE CA . 17525 1 177 . 1 1 19 19 ILE CB C 13 38.622 0.30 . 1 . . . . 72 ILE CB . 17525 1 178 . 1 1 19 19 ILE CG1 C 13 29.944 0.30 . 1 . . . . 72 ILE CG1 . 17525 1 179 . 1 1 19 19 ILE CG2 C 13 16.587 0.30 . 1 . . . . 72 ILE CG2 . 17525 1 180 . 1 1 19 19 ILE CD1 C 13 13.628 0.30 . 1 . . . . 72 ILE CD1 . 17525 1 181 . 1 1 19 19 ILE N N 15 124.540 0.30 . 1 . . . . 72 ILE N . 17525 1 182 . 1 1 20 20 PHE H H 1 8.293 0.02 . 1 . . . . 73 PHE H . 17525 1 183 . 1 1 20 20 PHE HA H 1 4.590 0.02 . 1 . . . . 73 PHE HA . 17525 1 184 . 1 1 20 20 PHE HB2 H 1 2.981 0.02 . 2 . . . . 73 PHE HB2 . 17525 1 185 . 1 1 20 20 PHE HB3 H 1 3.347 0.02 . 2 . . . . 73 PHE HB3 . 17525 1 186 . 1 1 20 20 PHE HD1 H 1 7.330 0.02 . 3 . . . . 73 PHE HD1 . 17525 1 187 . 1 1 20 20 PHE C C 13 176.602 0.30 . 1 . . . . 73 PHE C . 17525 1 188 . 1 1 20 20 PHE CA C 13 58.649 0.30 . 1 . . . . 73 PHE CA . 17525 1 189 . 1 1 20 20 PHE CB C 13 37.950 0.30 . 1 . . . . 73 PHE CB . 17525 1 190 . 1 1 20 20 PHE CD1 C 13 131.100 0.30 . 2 . . . . 73 PHE CD1 . 17525 1 191 . 1 1 20 20 PHE N N 15 117.113 0.30 . 1 . . . . 73 PHE N . 17525 1 192 . 1 1 21 21 SER H H 1 7.637 0.02 . 1 . . . . 74 SER H . 17525 1 193 . 1 1 21 21 SER HA H 1 4.199 0.02 . 1 . . . . 74 SER HA . 17525 1 194 . 1 1 21 21 SER HB2 H 1 3.934 0.02 . 2 . . . . 74 SER HB2 . 17525 1 195 . 1 1 21 21 SER HB3 H 1 3.888 0.02 . 2 . . . . 74 SER HB3 . 17525 1 196 . 1 1 21 21 SER C C 13 176.093 0.30 . 1 . . . . 74 SER C . 17525 1 197 . 1 1 21 21 SER CA C 13 61.445 0.30 . 1 . . . . 74 SER CA . 17525 1 198 . 1 1 21 21 SER CB C 13 64.519 0.30 . 1 . . . . 74 SER CB . 17525 1 199 . 1 1 21 21 SER N N 15 114.748 0.30 . 1 . . . . 74 SER N . 17525 1 200 . 1 1 22 22 GLY H H 1 7.991 0.02 . 1 . . . . 75 GLY H . 17525 1 201 . 1 1 22 22 GLY HA2 H 1 3.745 0.02 . 2 . . . . 75 GLY HA2 . 17525 1 202 . 1 1 22 22 GLY HA3 H 1 4.037 0.02 . 2 . . . . 75 GLY HA3 . 17525 1 203 . 1 1 22 22 GLY C C 13 173.992 0.30 . 1 . . . . 75 GLY C . 17525 1 204 . 1 1 22 22 GLY CA C 13 46.443 0.30 . 1 . . . . 75 GLY CA . 17525 1 205 . 1 1 22 22 GLY N N 15 109.929 0.30 . 1 . . . . 75 GLY N . 17525 1 206 . 1 1 23 23 LYS H H 1 7.776 0.02 . 1 . . . . 76 LYS H . 17525 1 207 . 1 1 23 23 LYS HA H 1 4.340 0.02 . 1 . . . . 76 LYS HA . 17525 1 208 . 1 1 23 23 LYS HB2 H 1 1.770 0.02 . 2 . . . . 76 LYS HB2 . 17525 1 209 . 1 1 23 23 LYS HB3 H 1 1.786 0.02 . 2 . . . . 76 LYS HB3 . 17525 1 210 . 1 1 23 23 LYS HG2 H 1 1.322 0.02 . 2 . . . . 76 LYS HG2 . 17525 1 211 . 1 1 23 23 LYS HG3 H 1 1.368 0.02 . 2 . . . . 76 LYS HG3 . 17525 1 212 . 1 1 23 23 LYS HD2 H 1 1.585 0.02 . 2 . . . . 76 LYS HD2 . 17525 1 213 . 1 1 23 23 LYS HD3 H 1 1.615 0.02 . 2 . . . . 76 LYS HD3 . 17525 1 214 . 1 1 23 23 LYS HE2 H 1 2.914 0.02 . 2 . . . . 76 LYS HE2 . 17525 1 215 . 1 1 23 23 LYS HE3 H 1 2.929 0.02 . 2 . . . . 76 LYS HE3 . 17525 1 216 . 1 1 23 23 LYS C C 13 174.788 0.30 . 1 . . . . 76 LYS C . 17525 1 217 . 1 1 23 23 LYS CA C 13 53.998 0.30 . 1 . . . . 76 LYS CA . 17525 1 218 . 1 1 23 23 LYS CB C 13 32.695 0.30 . 1 . . . . 76 LYS CB . 17525 1 219 . 1 1 23 23 LYS CG C 13 24.741 0.30 . 1 . . . . 76 LYS CG . 17525 1 220 . 1 1 23 23 LYS CD C 13 29.239 0.30 . 1 . . . . 76 LYS CD . 17525 1 221 . 1 1 23 23 LYS CE C 13 42.292 0.30 . 1 . . . . 76 LYS CE . 17525 1 222 . 1 1 23 23 LYS N N 15 119.794 0.30 . 1 . . . . 76 LYS N . 17525 1 223 . 1 1 25 25 ILE H H 1 8.562 0.02 . 1 . . . . 78 ILE H . 17525 1 224 . 1 1 25 25 ILE HA H 1 3.830 0.02 . 1 . . . . 78 ILE HA . 17525 1 225 . 1 1 25 25 ILE HB H 1 1.460 0.02 . 1 . . . . 78 ILE HB . 17525 1 226 . 1 1 25 25 ILE HG12 H 1 1.180 0.02 . 2 . . . . 78 ILE HG12 . 17525 1 227 . 1 1 25 25 ILE HG13 H 1 1.910 0.02 . 2 . . . . 78 ILE HG13 . 17525 1 228 . 1 1 25 25 ILE HG21 H 1 0.610 0.02 . 1 . . . . 78 ILE HG21 . 17525 1 229 . 1 1 25 25 ILE HG22 H 1 0.610 0.02 . 1 . . . . 78 ILE HG22 . 17525 1 230 . 1 1 25 25 ILE HG23 H 1 0.610 0.02 . 1 . . . . 78 ILE HG23 . 17525 1 231 . 1 1 25 25 ILE HD11 H 1 0.840 0.02 . 1 . . . . 78 ILE HD11 . 17525 1 232 . 1 1 25 25 ILE HD12 H 1 0.840 0.02 . 1 . . . . 78 ILE HD12 . 17525 1 233 . 1 1 25 25 ILE HD13 H 1 0.840 0.02 . 1 . . . . 78 ILE HD13 . 17525 1 234 . 1 1 25 25 ILE C C 13 176.602 0.30 . 1 . . . . 78 ILE C . 17525 1 235 . 1 1 25 25 ILE CA C 13 65.877 0.30 . 1 . . . . 78 ILE CA . 17525 1 236 . 1 1 25 25 ILE CB C 13 39.569 0.30 . 1 . . . . 78 ILE CB . 17525 1 237 . 1 1 25 25 ILE CG1 C 13 31.100 0.30 . 1 . . . . 78 ILE CG1 . 17525 1 238 . 1 1 25 25 ILE CG2 C 13 17.370 0.30 . 1 . . . . 78 ILE CG2 . 17525 1 239 . 1 1 25 25 ILE CD1 C 13 14.250 0.30 . 1 . . . . 78 ILE CD1 . 17525 1 240 . 1 1 25 25 ILE N N 15 126.035 0.30 . 1 . . . . 78 ILE N . 17525 1 241 . 1 1 26 26 GLU H H 1 9.338 0.02 . 1 . . . . 79 GLU H . 17525 1 242 . 1 1 26 26 GLU HA H 1 4.182 0.02 . 1 . . . . 79 GLU HA . 17525 1 243 . 1 1 26 26 GLU HB2 H 1 2.027 0.02 . 2 . . . . 79 GLU HB2 . 17525 1 244 . 1 1 26 26 GLU HB3 H 1 1.895 0.02 . 2 . . . . 79 GLU HB3 . 17525 1 245 . 1 1 26 26 GLU HG2 H 1 2.268 0.02 . 2 . . . . 79 GLU HG2 . 17525 1 246 . 1 1 26 26 GLU HG3 H 1 2.319 0.02 . 2 . . . . 79 GLU HG3 . 17525 1 247 . 1 1 26 26 GLU C C 13 178.353 0.30 . 1 . . . . 79 GLU C . 17525 1 248 . 1 1 26 26 GLU CA C 13 60.548 0.30 . 1 . . . . 79 GLU CA . 17525 1 249 . 1 1 26 26 GLU CB C 13 27.916 0.30 . 1 . . . . 79 GLU CB . 17525 1 250 . 1 1 26 26 GLU CG C 13 37.401 0.30 . 1 . . . . 79 GLU CG . 17525 1 251 . 1 1 26 26 GLU N N 15 115.634 0.30 . 1 . . . . 79 GLU N . 17525 1 252 . 1 1 27 27 THR H H 1 7.595 0.02 . 1 . . . . 80 THR H . 17525 1 253 . 1 1 27 27 THR HA H 1 4.134 0.02 . 1 . . . . 80 THR HA . 17525 1 254 . 1 1 27 27 THR HB H 1 4.150 0.02 . 1 . . . . 80 THR HB . 17525 1 255 . 1 1 27 27 THR HG21 H 1 1.198 0.02 . 1 . . . . 80 THR HG21 . 17525 1 256 . 1 1 27 27 THR HG22 H 1 1.198 0.02 . 1 . . . . 80 THR HG22 . 17525 1 257 . 1 1 27 27 THR HG23 H 1 1.198 0.02 . 1 . . . . 80 THR HG23 . 17525 1 258 . 1 1 27 27 THR C C 13 176.507 0.30 . 1 . . . . 80 THR C . 17525 1 259 . 1 1 27 27 THR CA C 13 65.576 0.30 . 1 . . . . 80 THR CA . 17525 1 260 . 1 1 27 27 THR CB C 13 68.662 0.30 . 1 . . . . 80 THR CB . 17525 1 261 . 1 1 27 27 THR CG2 C 13 21.742 0.30 . 1 . . . . 80 THR CG2 . 17525 1 262 . 1 1 27 27 THR N N 15 114.748 0.30 . 1 . . . . 80 THR N . 17525 1 263 . 1 1 28 28 SER H H 1 8.425 0.02 . 1 . . . . 81 SER H . 17525 1 264 . 1 1 28 28 SER HA H 1 3.937 0.02 . 1 . . . . 81 SER HA . 17525 1 265 . 1 1 28 28 SER HB2 H 1 3.270 0.02 . 2 . . . . 81 SER HB2 . 17525 1 266 . 1 1 28 28 SER HB3 H 1 3.550 0.02 . 2 . . . . 81 SER HB3 . 17525 1 267 . 1 1 28 28 SER C C 13 176.252 0.30 . 1 . . . . 81 SER C . 17525 1 268 . 1 1 28 28 SER CA C 13 63.331 0.30 . 1 . . . . 81 SER CA . 17525 1 269 . 1 1 28 28 SER CB C 13 63.000 0.30 . 1 . . . . 81 SER CB . 17525 1 270 . 1 1 28 28 SER N N 15 119.172 0.30 . 1 . . . . 81 SER N . 17525 1 271 . 1 1 29 29 TYR H H 1 8.578 0.02 . 1 . . . . 82 TYR H . 17525 1 272 . 1 1 29 29 TYR HA H 1 4.409 0.02 . 1 . . . . 82 TYR HA . 17525 1 273 . 1 1 29 29 TYR HB2 H 1 3.277 0.02 . 2 . . . . 82 TYR HB2 . 17525 1 274 . 1 1 29 29 TYR HB3 H 1 2.736 0.02 . 2 . . . . 82 TYR HB3 . 17525 1 275 . 1 1 29 29 TYR HD1 H 1 7.270 0.02 . 3 . . . . 82 TYR HD1 . 17525 1 276 . 1 1 29 29 TYR HE1 H 1 6.660 0.02 . 3 . . . . 82 TYR HE1 . 17525 1 277 . 1 1 29 29 TYR C C 13 172.719 0.30 . 1 . . . . 82 TYR C . 17525 1 278 . 1 1 29 29 TYR CA C 13 60.870 0.30 . 1 . . . . 82 TYR CA . 17525 1 279 . 1 1 29 29 TYR CB C 13 36.118 0.30 . 1 . . . . 82 TYR CB . 17525 1 280 . 1 1 29 29 TYR CD1 C 13 133.000 0.30 . 3 . . . . 82 TYR CD1 . 17525 1 281 . 1 1 29 29 TYR CE1 C 13 118.000 0.30 . 3 . . . . 82 TYR CE1 . 17525 1 282 . 1 1 29 29 TYR N N 15 113.527 0.30 . 1 . . . . 82 TYR N . 17525 1 283 . 1 1 30 30 SER H H 1 7.059 0.02 . 1 . . . . 83 SER H . 17525 1 284 . 1 1 30 30 SER HA H 1 4.605 0.02 . 1 . . . . 83 SER HA . 17525 1 285 . 1 1 30 30 SER HB2 H 1 3.915 0.02 . 2 . . . . 83 SER HB2 . 17525 1 286 . 1 1 30 30 SER HB3 H 1 3.841 0.02 . 2 . . . . 83 SER HB3 . 17525 1 287 . 1 1 30 30 SER C C 13 173.865 0.30 . 1 . . . . 83 SER C . 17525 1 288 . 1 1 30 30 SER CA C 13 58.651 0.30 . 1 . . . . 83 SER CA . 17525 1 289 . 1 1 30 30 SER CB C 13 64.604 0.30 . 1 . . . . 83 SER CB . 17525 1 290 . 1 1 30 30 SER N N 15 109.761 0.30 . 1 . . . . 83 SER N . 17525 1 291 . 1 1 31 31 ALA H H 1 6.750 0.02 . 1 . . . . 84 ALA H . 17525 1 292 . 1 1 31 31 ALA HA H 1 4.164 0.02 . 1 . . . . 84 ALA HA . 17525 1 293 . 1 1 31 31 ALA HB1 H 1 1.424 0.02 . 1 . . . . 84 ALA HB1 . 17525 1 294 . 1 1 31 31 ALA HB2 H 1 1.424 0.02 . 1 . . . . 84 ALA HB2 . 17525 1 295 . 1 1 31 31 ALA HB3 H 1 1.424 0.02 . 1 . . . . 84 ALA HB3 . 17525 1 296 . 1 1 31 31 ALA C C 13 178.480 0.30 . 1 . . . . 84 ALA C . 17525 1 297 . 1 1 31 31 ALA CA C 13 52.694 0.30 . 1 . . . . 84 ALA CA . 17525 1 298 . 1 1 31 31 ALA CB C 13 19.971 0.30 . 1 . . . . 84 ALA CB . 17525 1 299 . 1 1 31 31 ALA N N 15 123.483 0.30 . 1 . . . . 84 ALA N . 17525 1 300 . 1 1 32 32 LYS H H 1 8.815 0.02 . 1 . . . . 85 LYS H . 17525 1 301 . 1 1 32 32 LYS HA H 1 4.462 0.02 . 1 . . . . 85 LYS HA . 17525 1 302 . 1 1 32 32 LYS HB2 H 1 1.852 0.02 . 2 . . . . 85 LYS HB2 . 17525 1 303 . 1 1 32 32 LYS HB3 H 1 1.775 0.02 . 2 . . . . 85 LYS HB3 . 17525 1 304 . 1 1 32 32 LYS HG2 H 1 1.348 0.02 . 2 . . . . 85 LYS HG2 . 17525 1 305 . 1 1 32 32 LYS HG3 H 1 1.480 0.02 . 2 . . . . 85 LYS HG3 . 17525 1 306 . 1 1 32 32 LYS HD3 H 1 1.623 0.02 . 2 . . . . 85 LYS HD3 . 17525 1 307 . 1 1 32 32 LYS HE2 H 1 3.019 0.02 . 2 . . . . 85 LYS HE2 . 17525 1 308 . 1 1 32 32 LYS HE3 H 1 2.929 0.02 . 2 . . . . 85 LYS HE3 . 17525 1 309 . 1 1 32 32 LYS C C 13 179.244 0.30 . 1 . . . . 85 LYS C . 17525 1 310 . 1 1 32 32 LYS CA C 13 57.730 0.30 . 1 . . . . 85 LYS CA . 17525 1 311 . 1 1 32 32 LYS CB C 13 32.370 0.30 . 1 . . . . 85 LYS CB . 17525 1 312 . 1 1 32 32 LYS CG C 13 24.901 0.30 . 1 . . . . 85 LYS CG . 17525 1 313 . 1 1 32 32 LYS CD C 13 29.311 0.30 . 1 . . . . 85 LYS CD . 17525 1 314 . 1 1 32 32 LYS CE C 13 42.292 0.30 . 1 . . . . 85 LYS CE . 17525 1 315 . 1 1 32 32 LYS N N 15 125.281 0.30 . 1 . . . . 85 LYS N . 17525 1 316 . 1 1 33 33 GLY H H 1 11.209 0.02 . 1 . . . . 86 GLY H . 17525 1 317 . 1 1 33 33 GLY HA2 H 1 3.745 0.02 . 2 . . . . 86 GLY HA2 . 17525 1 318 . 1 1 33 33 GLY HA3 H 1 4.042 0.02 . 2 . . . . 86 GLY HA3 . 17525 1 319 . 1 1 33 33 GLY C C 13 176.634 0.30 . 1 . . . . 86 GLY C . 17525 1 320 . 1 1 33 33 GLY CA C 13 46.443 0.30 . 1 . . . . 86 GLY CA . 17525 1 321 . 1 1 33 33 GLY N N 15 115.963 0.30 . 1 . . . . 86 GLY N . 17525 1 322 . 1 1 34 34 ILE H H 1 7.544 0.02 . 1 . . . . 87 ILE H . 17525 1 323 . 1 1 34 34 ILE HA H 1 4.054 0.02 . 1 . . . . 87 ILE HA . 17525 1 324 . 1 1 34 34 ILE C C 13 175.393 0.30 . 1 . . . . 87 ILE C . 17525 1 325 . 1 1 34 34 ILE CA C 13 61.785 0.30 . 1 . . . . 87 ILE CA . 17525 1 326 . 1 1 34 34 ILE CB C 13 38.015 0.30 . 1 . . . . 87 ILE CB . 17525 1 327 . 1 1 34 34 ILE CG1 C 13 29.327 0.30 . 1 . . . . 87 ILE CG1 . 17525 1 328 . 1 1 34 34 ILE CG2 C 13 19.272 0.30 . 1 . . . . 87 ILE CG2 . 17525 1 329 . 1 1 34 34 ILE CD1 C 13 14.245 0.30 . 1 . . . . 87 ILE CD1 . 17525 1 330 . 1 1 34 34 ILE N N 15 120.475 0.30 . 1 . . . . 87 ILE N . 17525 1 331 . 1 1 35 35 HIS H H 1 9.372 0.02 . 1 . . . . 88 HIS H . 17525 1 332 . 1 1 35 35 HIS HA H 1 4.060 0.02 . 1 . . . . 88 HIS HA . 17525 1 333 . 1 1 35 35 HIS HB2 H 1 2.560 0.02 . 2 . . . . 88 HIS HB2 . 17525 1 334 . 1 1 35 35 HIS HB3 H 1 2.800 0.02 . 2 . . . . 88 HIS HB3 . 17525 1 335 . 1 1 35 35 HIS HD2 H 1 6.830 0.02 . 1 . . . . 88 HIS HD2 . 17525 1 336 . 1 1 35 35 HIS C C 13 176.125 0.30 . 1 . . . . 88 HIS C . 17525 1 337 . 1 1 35 35 HIS CA C 13 58.918 0.30 . 1 . . . . 88 HIS CA . 17525 1 338 . 1 1 35 35 HIS CB C 13 30.149 0.30 . 1 . . . . 88 HIS CB . 17525 1 339 . 1 1 35 35 HIS CD2 C 13 118.200 0.30 . 1 . . . . 88 HIS CD2 . 17525 1 340 . 1 1 35 35 HIS N N 15 120.404 0.30 . 1 . . . . 88 HIS N . 17525 1 341 . 1 1 36 36 GLU H H 1 5.886 0.02 . 1 . . . . 89 GLU H . 17525 1 342 . 1 1 36 36 GLU HA H 1 3.645 0.02 . 1 . . . . 89 GLU HA . 17525 1 343 . 1 1 36 36 GLU HG2 H 1 1.455 0.02 . 2 . . . . 89 GLU HG2 . 17525 1 344 . 1 1 36 36 GLU HG3 H 1 1.769 0.02 . 2 . . . . 89 GLU HG3 . 17525 1 345 . 1 1 36 36 GLU C C 13 179.276 0.30 . 1 . . . . 89 GLU C . 17525 1 346 . 1 1 36 36 GLU CA C 13 58.696 0.30 . 1 . . . . 89 GLU CA . 17525 1 347 . 1 1 36 36 GLU CB C 13 29.062 0.30 . 1 . . . . 89 GLU CB . 17525 1 348 . 1 1 36 36 GLU CG C 13 35.531 0.30 . 1 . . . . 89 GLU CG . 17525 1 349 . 1 1 36 36 GLU N N 15 119.084 0.30 . 1 . . . . 89 GLU N . 17525 1 350 . 1 1 37 37 LYS H H 1 7.076 0.02 . 1 . . . . 90 LYS H . 17525 1 351 . 1 1 37 37 LYS HA H 1 3.785 0.02 . 1 . . . . 90 LYS HA . 17525 1 352 . 1 1 37 37 LYS HB2 H 1 1.724 0.02 . 2 . . . . 90 LYS HB2 . 17525 1 353 . 1 1 37 37 LYS HB3 H 1 1.780 0.02 . 2 . . . . 90 LYS HB3 . 17525 1 354 . 1 1 37 37 LYS HG3 H 1 1.337 0.02 . 2 . . . . 90 LYS HG3 . 17525 1 355 . 1 1 37 37 LYS HD3 H 1 1.615 0.02 . 2 . . . . 90 LYS HD3 . 17525 1 356 . 1 1 37 37 LYS HE2 H 1 2.914 0.02 . 2 . . . . 90 LYS HE2 . 17525 1 357 . 1 1 37 37 LYS HE3 H 1 2.945 0.02 . 2 . . . . 90 LYS HE3 . 17525 1 358 . 1 1 37 37 LYS C C 13 178.926 0.30 . 1 . . . . 90 LYS C . 17525 1 359 . 1 1 37 37 LYS CA C 13 58.275 0.30 . 1 . . . . 90 LYS CA . 17525 1 360 . 1 1 37 37 LYS CB C 13 32.780 0.30 . 1 . . . . 90 LYS CB . 17525 1 361 . 1 1 37 37 LYS CG C 13 24.917 0.30 . 1 . . . . 90 LYS CG . 17525 1 362 . 1 1 37 37 LYS CD C 13 28.357 0.30 . 1 . . . . 90 LYS CD . 17525 1 363 . 1 1 37 37 LYS CE C 13 42.380 0.30 . 1 . . . . 90 LYS CE . 17525 1 364 . 1 1 37 37 LYS N N 15 117.427 0.30 . 1 . . . . 90 LYS N . 17525 1 365 . 1 1 38 38 ILE H H 1 7.755 0.02 . 1 . . . . 91 ILE H . 17525 1 366 . 1 1 38 38 ILE HA H 1 2.873 0.02 . 1 . . . . 91 ILE HA . 17525 1 367 . 1 1 38 38 ILE HB H 1 1.697 0.02 . 1 . . . . 91 ILE HB . 17525 1 368 . 1 1 38 38 ILE HG12 H 1 1.054 0.02 . 2 . . . . 91 ILE HG12 . 17525 1 369 . 1 1 38 38 ILE HG13 H 1 1.007 0.02 . 2 . . . . 91 ILE HG13 . 17525 1 370 . 1 1 38 38 ILE HG21 H 1 0.922 0.02 . 1 . . . . 91 ILE HG21 . 17525 1 371 . 1 1 38 38 ILE HG22 H 1 0.922 0.02 . 1 . . . . 91 ILE HG22 . 17525 1 372 . 1 1 38 38 ILE HG23 H 1 0.922 0.02 . 1 . . . . 91 ILE HG23 . 17525 1 373 . 1 1 38 38 ILE HD11 H 1 0.909 0.02 . 1 . . . . 91 ILE HD11 . 17525 1 374 . 1 1 38 38 ILE HD12 H 1 0.909 0.02 . 1 . . . . 91 ILE HD12 . 17525 1 375 . 1 1 38 38 ILE HD13 H 1 0.909 0.02 . 1 . . . . 91 ILE HD13 . 17525 1 376 . 1 1 38 38 ILE C C 13 176.538 0.30 . 1 . . . . 91 ILE C . 17525 1 377 . 1 1 38 38 ILE CA C 13 65.822 0.30 . 1 . . . . 91 ILE CA . 17525 1 378 . 1 1 38 38 ILE CB C 13 38.676 0.30 . 1 . . . . 91 ILE CB . 17525 1 379 . 1 1 38 38 ILE CG1 C 13 29.591 0.30 . 1 . . . . 91 ILE CG1 . 17525 1 380 . 1 1 38 38 ILE CG2 C 13 17.420 0.30 . 1 . . . . 91 ILE CG2 . 17525 1 381 . 1 1 38 38 ILE CD1 C 13 13.628 0.30 . 1 . . . . 91 ILE CD1 . 17525 1 382 . 1 1 38 38 ILE N N 15 120.212 0.30 . 1 . . . . 91 ILE N . 17525 1 383 . 1 1 40 40 GLU H H 1 7.928 0.02 . 1 . . . . 93 GLU H . 17525 1 384 . 1 1 40 40 GLU HA H 1 4.028 0.02 . 1 . . . . 93 GLU HA . 17525 1 385 . 1 1 40 40 GLU HB2 H 1 1.877 0.02 . 2 . . . . 93 GLU HB2 . 17525 1 386 . 1 1 40 40 GLU HB3 H 1 2.014 0.02 . 2 . . . . 93 GLU HB3 . 17525 1 387 . 1 1 40 40 GLU HG2 H 1 2.212 0.02 . 2 . . . . 93 GLU HG2 . 17525 1 388 . 1 1 40 40 GLU HG3 H 1 2.060 0.02 . 2 . . . . 93 GLU HG3 . 17525 1 389 . 1 1 40 40 GLU C C 13 178.162 0.30 . 1 . . . . 93 GLU C . 17525 1 390 . 1 1 40 40 GLU CA C 13 59.388 0.30 . 1 . . . . 93 GLU CA . 17525 1 391 . 1 1 40 40 GLU CB C 13 30.032 0.30 . 1 . . . . 93 GLU CB . 17525 1 392 . 1 1 40 40 GLU CG C 13 36.118 0.30 . 1 . . . . 93 GLU CG . 17525 1 393 . 1 1 40 40 GLU N N 15 118.993 0.30 . 1 . . . . 93 GLU N . 17525 1 394 . 1 1 41 41 ALA H H 1 7.395 0.02 . 1 . . . . 94 ALA H . 17525 1 395 . 1 1 41 41 ALA HA H 1 3.966 0.02 . 1 . . . . 94 ALA HA . 17525 1 396 . 1 1 41 41 ALA HB1 H 1 1.094 0.02 . 1 . . . . 94 ALA HB1 . 17525 1 397 . 1 1 41 41 ALA HB2 H 1 1.094 0.02 . 1 . . . . 94 ALA HB2 . 17525 1 398 . 1 1 41 41 ALA HB3 H 1 1.094 0.02 . 1 . . . . 94 ALA HB3 . 17525 1 399 . 1 1 41 41 ALA C C 13 179.180 0.30 . 1 . . . . 94 ALA C . 17525 1 400 . 1 1 41 41 ALA CA C 13 55.389 0.30 . 1 . . . . 94 ALA CA . 17525 1 401 . 1 1 41 41 ALA CB C 13 17.744 0.30 . 1 . . . . 94 ALA CB . 17525 1 402 . 1 1 41 41 ALA N N 15 120.404 0.30 . 1 . . . . 94 ALA N . 17525 1 403 . 1 1 42 42 HIS H H 1 8.259 0.02 . 1 . . . . 95 HIS H . 17525 1 404 . 1 1 42 42 HIS HA H 1 4.770 0.02 . 1 . . . . 95 HIS HA . 17525 1 405 . 1 1 42 42 HIS HB2 H 1 3.330 0.02 . 2 . . . . 95 HIS HB2 . 17525 1 406 . 1 1 42 42 HIS HB3 H 1 2.900 0.02 . 2 . . . . 95 HIS HB3 . 17525 1 407 . 1 1 42 42 HIS C C 13 176.602 0.30 . 1 . . . . 95 HIS C . 17525 1 408 . 1 1 42 42 HIS CA C 13 62.058 0.30 . 1 . . . . 95 HIS CA . 17525 1 409 . 1 1 42 42 HIS CB C 13 30.849 0.30 . 1 . . . . 95 HIS CB . 17525 1 410 . 1 1 42 42 HIS N N 15 117.539 0.30 . 1 . . . . 95 HIS N . 17525 1 411 . 1 1 43 43 ASP H H 1 9.181 0.02 . 1 . . . . 96 ASP H . 17525 1 412 . 1 1 43 43 ASP HA H 1 4.217 0.02 . 1 . . . . 96 ASP HA . 17525 1 413 . 1 1 43 43 ASP HB2 H 1 2.834 0.02 . 2 . . . . 96 ASP HB2 . 17525 1 414 . 1 1 43 43 ASP HB3 H 1 2.549 0.02 . 2 . . . . 96 ASP HB3 . 17525 1 415 . 1 1 43 43 ASP C C 13 179.530 0.30 . 1 . . . . 96 ASP C . 17525 1 416 . 1 1 43 43 ASP CA C 13 57.373 0.30 . 1 . . . . 96 ASP CA . 17525 1 417 . 1 1 43 43 ASP CB C 13 39.910 0.30 . 1 . . . . 96 ASP CB . 17525 1 418 . 1 1 43 43 ASP N N 15 120.607 0.30 . 1 . . . . 96 ASP N . 17525 1 419 . 1 1 51 51 ASN H H 1 8.468 0.02 . 1 . . . . 104 ASN H . 17525 1 420 . 1 1 51 51 ASN HA H 1 4.683 0.02 . 1 . . . . 104 ASN HA . 17525 1 421 . 1 1 51 51 ASN HB2 H 1 2.890 0.02 . 2 . . . . 104 ASN HB2 . 17525 1 422 . 1 1 51 51 ASN HB3 H 1 2.673 0.02 . 2 . . . . 104 ASN HB3 . 17525 1 423 . 1 1 51 51 ASN C C 13 174.056 0.30 . 1 . . . . 104 ASN C . 17525 1 424 . 1 1 51 51 ASN CA C 13 53.302 0.30 . 1 . . . . 104 ASN CA . 17525 1 425 . 1 1 51 51 ASN CB C 13 38.676 0.30 . 1 . . . . 104 ASN CB . 17525 1 426 . 1 1 51 51 ASN N N 15 116.788 0.30 . 1 . . . . 104 ASN N . 17525 1 427 . 1 1 52 52 ALA H H 1 7.806 0.02 . 1 . . . . 105 ALA H . 17525 1 428 . 1 1 52 52 ALA HA H 1 4.623 0.02 . 1 . . . . 105 ALA HA . 17525 1 429 . 1 1 52 52 ALA HB1 H 1 1.385 0.02 . 1 . . . . 105 ALA HB1 . 17525 1 430 . 1 1 52 52 ALA HB2 H 1 1.385 0.02 . 1 . . . . 105 ALA HB2 . 17525 1 431 . 1 1 52 52 ALA HB3 H 1 1.385 0.02 . 1 . . . . 105 ALA HB3 . 17525 1 432 . 1 1 52 52 ALA CA C 13 50.594 0.30 . 1 . . . . 105 ALA CA . 17525 1 433 . 1 1 52 52 ALA CB C 13 19.277 0.30 . 1 . . . . 105 ALA CB . 17525 1 434 . 1 1 52 52 ALA N N 15 124.217 0.30 . 1 . . . . 105 ALA N . 17525 1 435 . 1 1 63 63 LEU H H 1 8.611 0.02 . 1 . . . . 116 LEU H . 17525 1 436 . 1 1 63 63 LEU HA H 1 3.643 0.02 . 1 . . . . 116 LEU HA . 17525 1 437 . 1 1 63 63 LEU HG H 1 1.853 0.02 . 1 . . . . 116 LEU HG . 17525 1 438 . 1 1 63 63 LEU HD11 H 1 0.720 0.02 . 1 . . . . 116 LEU HD11 . 17525 1 439 . 1 1 63 63 LEU HD12 H 1 0.720 0.02 . 1 . . . . 116 LEU HD12 . 17525 1 440 . 1 1 63 63 LEU HD13 H 1 0.720 0.02 . 1 . . . . 116 LEU HD13 . 17525 1 441 . 1 1 63 63 LEU HD21 H 1 0.540 0.02 . 1 . . . . 116 LEU HD21 . 17525 1 442 . 1 1 63 63 LEU HD22 H 1 0.540 0.02 . 1 . . . . 116 LEU HD22 . 17525 1 443 . 1 1 63 63 LEU HD23 H 1 0.540 0.02 . 1 . . . . 116 LEU HD23 . 17525 1 444 . 1 1 63 63 LEU C C 13 178.810 0.30 . 1 . . . . 116 LEU C . 17525 1 445 . 1 1 63 63 LEU CA C 13 58.959 0.30 . 1 . . . . 116 LEU CA . 17525 1 446 . 1 1 63 63 LEU CB C 13 41.406 0.30 . 1 . . . . 116 LEU CB . 17525 1 447 . 1 1 63 63 LEU CG C 13 26.159 0.30 . 1 . . . . 116 LEU CG . 17525 1 448 . 1 1 63 63 LEU CD1 C 13 26.120 0.30 . 1 . . . . 116 LEU CD1 . 17525 1 449 . 1 1 63 63 LEU CD2 C 13 22.900 0.30 . 1 . . . . 116 LEU CD2 . 17525 1 450 . 1 1 63 63 LEU N N 15 121.650 0.30 . 1 . . . . 116 LEU N . 17525 1 451 . 1 1 64 64 LYS H H 1 8.430 0.02 . 1 . . . . 117 LYS H . 17525 1 452 . 1 1 64 64 LYS HA H 1 4.062 0.02 . 1 . . . . 117 LYS HA . 17525 1 453 . 1 1 64 64 LYS HB2 H 1 1.748 0.02 . 2 . . . . 117 LYS HB2 . 17525 1 454 . 1 1 64 64 LYS HB3 H 1 1.788 0.02 . 2 . . . . 117 LYS HB3 . 17525 1 455 . 1 1 64 64 LYS HG2 H 1 1.353 0.02 . 2 . . . . 117 LYS HG2 . 17525 1 456 . 1 1 64 64 LYS HG3 H 1 1.503 0.02 . 2 . . . . 117 LYS HG3 . 17525 1 457 . 1 1 64 64 LYS HD2 H 1 1.601 0.02 . 2 . . . . 117 LYS HD2 . 17525 1 458 . 1 1 64 64 LYS HD3 H 1 1.636 0.02 . 2 . . . . 117 LYS HD3 . 17525 1 459 . 1 1 64 64 LYS HE2 H 1 2.945 0.02 . 2 . . . . 117 LYS HE2 . 17525 1 460 . 1 1 64 64 LYS HE3 H 1 2.964 0.02 . 2 . . . . 117 LYS HE3 . 17525 1 461 . 1 1 64 64 LYS C C 13 178.353 0.30 . 1 . . . . 117 LYS C . 17525 1 462 . 1 1 64 64 LYS CA C 13 58.954 0.30 . 1 . . . . 117 LYS CA . 17525 1 463 . 1 1 64 64 LYS CB C 13 33.119 0.30 . 1 . . . . 117 LYS CB . 17525 1 464 . 1 1 64 64 LYS CG C 13 24.811 0.30 . 1 . . . . 117 LYS CG . 17525 1 465 . 1 1 64 64 LYS CD C 13 29.311 0.30 . 1 . . . . 117 LYS CD . 17525 1 466 . 1 1 64 64 LYS CE C 13 42.292 0.30 . 1 . . . . 117 LYS CE . 17525 1 467 . 1 1 64 64 LYS N N 15 115.768 0.30 . 1 . . . . 117 LYS N . 17525 1 468 . 1 1 65 65 LYS H H 1 7.059 0.02 . 1 . . . . 118 LYS H . 17525 1 469 . 1 1 65 65 LYS HA H 1 4.218 0.02 . 1 . . . . 118 LYS HA . 17525 1 470 . 1 1 65 65 LYS HB2 H 1 1.816 0.02 . 2 . . . . 118 LYS HB2 . 17525 1 471 . 1 1 65 65 LYS HG2 H 1 1.384 0.02 . 2 . . . . 118 LYS HG2 . 17525 1 472 . 1 1 65 65 LYS HD2 H 1 1.615 0.02 . 2 . . . . 118 LYS HD2 . 17525 1 473 . 1 1 65 65 LYS HD3 H 1 1.631 0.02 . 2 . . . . 118 LYS HD3 . 17525 1 474 . 1 1 65 65 LYS HE2 H 1 2.898 0.02 . 2 . . . . 118 LYS HE2 . 17525 1 475 . 1 1 65 65 LYS HE3 H 1 2.945 0.02 . 2 . . . . 118 LYS HE3 . 17525 1 476 . 1 1 65 65 LYS C C 13 176.825 0.30 . 1 . . . . 118 LYS C . 17525 1 477 . 1 1 65 65 LYS CA C 13 57.051 0.30 . 1 . . . . 118 LYS CA . 17525 1 478 . 1 1 65 65 LYS CB C 13 32.679 0.30 . 1 . . . . 118 LYS CB . 17525 1 479 . 1 1 65 65 LYS CG C 13 24.917 0.30 . 1 . . . . 118 LYS CG . 17525 1 480 . 1 1 65 65 LYS CD C 13 29.327 0.30 . 1 . . . . 118 LYS CD . 17525 1 481 . 1 1 65 65 LYS CE C 13 42.292 0.30 . 1 . . . . 118 LYS CE . 17525 1 482 . 1 1 65 65 LYS N N 15 116.508 0.30 . 1 . . . . 118 LYS N . 17525 1 483 . 1 1 66 66 THR H H 1 7.269 0.02 . 1 . . . . 119 THR H . 17525 1 484 . 1 1 66 66 THR HA H 1 3.832 0.02 . 1 . . . . 119 THR HA . 17525 1 485 . 1 1 66 66 THR HB H 1 3.342 0.02 . 1 . . . . 119 THR HB . 17525 1 486 . 1 1 66 66 THR HG21 H 1 0.580 0.02 . 1 . . . . 119 THR HG21 . 17525 1 487 . 1 1 66 66 THR HG22 H 1 0.580 0.02 . 1 . . . . 119 THR HG22 . 17525 1 488 . 1 1 66 66 THR HG23 H 1 0.580 0.02 . 1 . . . . 119 THR HG23 . 17525 1 489 . 1 1 66 66 THR C C 13 173.196 0.30 . 1 . . . . 119 THR C . 17525 1 490 . 1 1 66 66 THR CA C 13 64.253 0.30 . 1 . . . . 119 THR CA . 17525 1 491 . 1 1 66 66 THR CB C 13 70.800 0.30 . 1 . . . . 119 THR CB . 17525 1 492 . 1 1 66 66 THR CG2 C 13 21.186 0.30 . 1 . . . . 119 THR CG2 . 17525 1 493 . 1 1 66 66 THR N N 15 114.345 0.30 . 1 . . . . 119 THR N . 17525 1 494 . 1 1 67 67 TYR H H 1 8.583 0.02 . 1 . . . . 120 TYR H . 17525 1 495 . 1 1 67 67 TYR HA H 1 4.741 0.02 . 1 . . . . 120 TYR HA . 17525 1 496 . 1 1 67 67 TYR HB2 H 1 2.456 0.02 . 2 . . . . 120 TYR HB2 . 17525 1 497 . 1 1 67 67 TYR HB3 H 1 2.771 0.02 . 2 . . . . 120 TYR HB3 . 17525 1 498 . 1 1 67 67 TYR HD1 H 1 7.010 0.02 . 3 . . . . 120 TYR HD1 . 17525 1 499 . 1 1 67 67 TYR HE1 H 1 6.700 0.02 . 3 . . . . 120 TYR HE1 . 17525 1 500 . 1 1 67 67 TYR C C 13 173.069 0.30 . 1 . . . . 120 TYR C . 17525 1 501 . 1 1 67 67 TYR CA C 13 56.457 0.30 . 1 . . . . 120 TYR CA . 17525 1 502 . 1 1 67 67 TYR CB C 13 41.945 0.30 . 1 . . . . 120 TYR CB . 17525 1 503 . 1 1 67 67 TYR CD1 C 13 133.600 0.30 . 3 . . . . 120 TYR CD1 . 17525 1 504 . 1 1 67 67 TYR CE1 C 13 118.000 0.30 . 3 . . . . 120 TYR CE1 . 17525 1 505 . 1 1 67 67 TYR N N 15 120.810 0.30 . 1 . . . . 120 TYR N . 17525 1 506 . 1 1 69 69 GLY H H 1 9.066 0.02 . 1 . . . . 122 GLY H . 17525 1 507 . 1 1 69 69 GLY HA2 H 1 3.682 0.02 . 2 . . . . 122 GLY HA2 . 17525 1 508 . 1 1 69 69 GLY HA3 H 1 4.191 0.02 . 2 . . . . 122 GLY HA3 . 17525 1 509 . 1 1 69 69 GLY C C 13 174.692 0.30 . 1 . . . . 122 GLY C . 17525 1 510 . 1 1 69 69 GLY CA C 13 49.556 0.30 . 1 . . . . 122 GLY CA . 17525 1 511 . 1 1 69 69 GLY N N 15 109.649 0.30 . 1 . . . . 122 GLY N . 17525 1 512 . 1 1 70 70 PRO HA H 1 4.270 0.02 . 1 . . . . 123 PRO HA . 17525 1 513 . 1 1 70 70 PRO HD2 H 1 3.730 0.02 . 2 . . . . 123 PRO HD2 . 17525 1 514 . 1 1 70 70 PRO HD3 H 1 3.520 0.02 . 2 . . . . 123 PRO HD3 . 17525 1 515 . 1 1 70 70 PRO CA C 13 65.300 0.30 . 1 . . . . 123 PRO CA . 17525 1 516 . 1 1 70 70 PRO CD C 13 51.100 0.30 . 1 . . . . 123 PRO CD . 17525 1 517 . 1 1 71 71 ASP H H 1 7.255 0.02 . 1 . . . . 124 ASP H . 17525 1 518 . 1 1 71 71 ASP HA H 1 4.409 0.02 . 1 . . . . 124 ASP HA . 17525 1 519 . 1 1 71 71 ASP HB2 H 1 2.841 0.02 . 2 . . . . 124 ASP HB2 . 17525 1 520 . 1 1 71 71 ASP HB3 H 1 2.497 0.02 . 2 . . . . 124 ASP HB3 . 17525 1 521 . 1 1 71 71 ASP C C 13 177.875 0.30 . 1 . . . . 124 ASP C . 17525 1 522 . 1 1 71 71 ASP CA C 13 56.756 0.30 . 1 . . . . 124 ASP CA . 17525 1 523 . 1 1 71 71 ASP CB C 13 40.783 0.30 . 1 . . . . 124 ASP CB . 17525 1 524 . 1 1 71 71 ASP N N 15 117.214 0.30 . 1 . . . . 124 ASP N . 17525 1 525 . 1 1 72 72 ILE H H 1 7.788 0.02 . 1 . . . . 125 ILE H . 17525 1 526 . 1 1 72 72 ILE HA H 1 3.125 0.02 . 1 . . . . 125 ILE HA . 17525 1 527 . 1 1 72 72 ILE HB H 1 1.963 0.02 . 1 . . . . 125 ILE HB . 17525 1 528 . 1 1 72 72 ILE HG12 H 1 0.438 0.02 . 2 . . . . 125 ILE HG12 . 17525 1 529 . 1 1 72 72 ILE HG13 H 1 0.404 0.02 . 2 . . . . 125 ILE HG13 . 17525 1 530 . 1 1 72 72 ILE HG21 H 1 0.673 0.02 . 1 . . . . 125 ILE HG21 . 17525 1 531 . 1 1 72 72 ILE HG22 H 1 0.673 0.02 . 1 . . . . 125 ILE HG22 . 17525 1 532 . 1 1 72 72 ILE HG23 H 1 0.673 0.02 . 1 . . . . 125 ILE HG23 . 17525 1 533 . 1 1 72 72 ILE HD11 H 1 0.751 0.02 . 1 . . . . 125 ILE HD11 . 17525 1 534 . 1 1 72 72 ILE HD12 H 1 0.751 0.02 . 1 . . . . 125 ILE HD12 . 17525 1 535 . 1 1 72 72 ILE HD13 H 1 0.751 0.02 . 1 . . . . 125 ILE HD13 . 17525 1 536 . 1 1 72 72 ILE C C 13 177.716 0.30 . 1 . . . . 125 ILE C . 17525 1 537 . 1 1 72 72 ILE CA C 13 66.193 0.30 . 1 . . . . 125 ILE CA . 17525 1 538 . 1 1 72 72 ILE CB C 13 37.653 0.30 . 1 . . . . 125 ILE CB . 17525 1 539 . 1 1 72 72 ILE CG1 C 13 29.944 0.30 . 1 . . . . 125 ILE CG1 . 17525 1 540 . 1 1 72 72 ILE CG2 C 13 18.038 0.30 . 1 . . . . 125 ILE CG2 . 17525 1 541 . 1 1 72 72 ILE CD1 C 13 13.540 0.30 . 1 . . . . 125 ILE CD1 . 17525 1 542 . 1 1 72 72 ILE N N 15 121.791 0.30 . 1 . . . . 125 ILE N . 17525 1 543 . 1 1 73 73 GLU H H 1 7.475 0.02 . 1 . . . . 126 GLU H . 17525 1 544 . 1 1 73 73 GLU HA H 1 3.762 0.02 . 1 . . . . 126 GLU HA . 17525 1 545 . 1 1 73 73 GLU HB2 H 1 2.088 0.02 . 2 . . . . 126 GLU HB2 . 17525 1 546 . 1 1 73 73 GLU HB3 H 1 1.932 0.02 . 2 . . . . 126 GLU HB3 . 17525 1 547 . 1 1 73 73 GLU HG2 H 1 2.243 0.02 . 2 . . . . 126 GLU HG2 . 17525 1 548 . 1 1 73 73 GLU HG3 H 1 2.054 0.02 . 2 . . . . 126 GLU HG3 . 17525 1 549 . 1 1 73 73 GLU C C 13 178.607 0.30 . 1 . . . . 126 GLU C . 17525 1 550 . 1 1 73 73 GLU CA C 13 59.597 0.30 . 1 . . . . 126 GLU CA . 17525 1 551 . 1 1 73 73 GLU CB C 13 28.959 0.30 . 1 . . . . 126 GLU CB . 17525 1 552 . 1 1 73 73 GLU CG C 13 35.501 0.30 . 1 . . . . 126 GLU CG . 17525 1 553 . 1 1 73 73 GLU N N 15 117.819 0.30 . 1 . . . . 126 GLU N . 17525 1 554 . 1 1 74 74 ARG H H 1 7.045 0.02 . 1 . . . . 127 ARG H . 17525 1 555 . 1 1 74 74 ARG HA H 1 4.025 0.02 . 1 . . . . 127 ARG HA . 17525 1 556 . 1 1 74 74 ARG HB2 H 1 1.905 0.02 . 2 . . . . 127 ARG HB2 . 17525 1 557 . 1 1 74 74 ARG HB3 H 1 1.866 0.02 . 2 . . . . 127 ARG HB3 . 17525 1 558 . 1 1 74 74 ARG HG2 H 1 1.628 0.02 . 2 . . . . 127 ARG HG2 . 17525 1 559 . 1 1 74 74 ARG HD2 H 1 3.217 0.02 . 2 . . . . 127 ARG HD2 . 17525 1 560 . 1 1 74 74 ARG HD3 H 1 3.277 0.02 . 2 . . . . 127 ARG HD3 . 17525 1 561 . 1 1 74 74 ARG C C 13 179.180 0.30 . 1 . . . . 127 ARG C . 17525 1 562 . 1 1 74 74 ARG CA C 13 59.573 0.30 . 1 . . . . 127 ARG CA . 17525 1 563 . 1 1 74 74 ARG CB C 13 31.200 0.30 . 1 . . . . 127 ARG CB . 17525 1 564 . 1 1 74 74 ARG CG C 13 26.791 0.30 . 1 . . . . 127 ARG CG . 17525 1 565 . 1 1 74 74 ARG CD C 13 44.790 0.30 . 1 . . . . 127 ARG CD . 17525 1 566 . 1 1 74 74 ARG N N 15 117.943 0.30 . 1 . . . . 127 ARG N . 17525 1 567 . 1 1 75 75 ILE H H 1 8.127 0.02 . 1 . . . . 128 ILE H . 17525 1 568 . 1 1 75 75 ILE HA H 1 2.678 0.02 . 1 . . . . 128 ILE HA . 17525 1 569 . 1 1 75 75 ILE HB H 1 1.464 0.02 . 1 . . . . 128 ILE HB . 17525 1 570 . 1 1 75 75 ILE HG12 H 1 -0.446 0.02 . 2 . . . . 128 ILE HG12 . 17525 1 571 . 1 1 75 75 ILE HG13 H 1 -0.399 0.02 . 2 . . . . 128 ILE HG13 . 17525 1 572 . 1 1 75 75 ILE HG21 H 1 -0.046 0.02 . 1 . . . . 128 ILE HG21 . 17525 1 573 . 1 1 75 75 ILE HG22 H 1 -0.046 0.02 . 1 . . . . 128 ILE HG22 . 17525 1 574 . 1 1 75 75 ILE HG23 H 1 -0.046 0.02 . 1 . . . . 128 ILE HG23 . 17525 1 575 . 1 1 75 75 ILE HD11 H 1 -0.485 0.02 . 1 . . . . 128 ILE HD11 . 17525 1 576 . 1 1 75 75 ILE HD12 H 1 -0.485 0.02 . 1 . . . . 128 ILE HD12 . 17525 1 577 . 1 1 75 75 ILE HD13 H 1 -0.485 0.02 . 1 . . . . 128 ILE HD13 . 17525 1 578 . 1 1 75 75 ILE C C 13 176.825 0.30 . 1 . . . . 128 ILE C . 17525 1 579 . 1 1 75 75 ILE CA C 13 66.517 0.30 . 1 . . . . 128 ILE CA . 17525 1 580 . 1 1 75 75 ILE CB C 13 38.318 0.30 . 1 . . . . 128 ILE CB . 17525 1 581 . 1 1 75 75 ILE CG1 C 13 28.621 0.30 . 1 . . . . 128 ILE CG1 . 17525 1 582 . 1 1 75 75 ILE CG2 C 13 14.951 0.30 . 1 . . . . 128 ILE CG2 . 17525 1 583 . 1 1 75 75 ILE CD1 C 13 13.010 0.30 . 1 . . . . 128 ILE CD1 . 17525 1 584 . 1 1 75 75 ILE N N 15 124.994 0.30 . 1 . . . . 128 ILE N . 17525 1 585 . 1 1 76 76 VAL H H 1 8.300 0.02 . 1 . . . . 129 VAL H . 17525 1 586 . 1 1 76 76 VAL HA H 1 3.133 0.02 . 1 . . . . 129 VAL HA . 17525 1 587 . 1 1 76 76 VAL HB H 1 1.802 0.02 . 1 . . . . 129 VAL HB . 17525 1 588 . 1 1 76 76 VAL HG11 H 1 0.740 0.02 . 1 . . . . 129 VAL HG11 . 17525 1 589 . 1 1 76 76 VAL HG12 H 1 0.740 0.02 . 1 . . . . 129 VAL HG12 . 17525 1 590 . 1 1 76 76 VAL HG13 H 1 0.740 0.02 . 1 . . . . 129 VAL HG13 . 17525 1 591 . 1 1 76 76 VAL HG21 H 1 0.763 0.02 . 1 . . . . 129 VAL HG21 . 17525 1 592 . 1 1 76 76 VAL HG22 H 1 0.763 0.02 . 1 . . . . 129 VAL HG22 . 17525 1 593 . 1 1 76 76 VAL HG23 H 1 0.763 0.02 . 1 . . . . 129 VAL HG23 . 17525 1 594 . 1 1 76 76 VAL C C 13 177.589 0.30 . 1 . . . . 129 VAL C . 17525 1 595 . 1 1 76 76 VAL CA C 13 68.045 0.30 . 1 . . . . 129 VAL CA . 17525 1 596 . 1 1 76 76 VAL CB C 13 31.796 0.30 . 1 . . . . 129 VAL CB . 17525 1 597 . 1 1 76 76 VAL CG1 C 13 21.700 0.30 . 1 . . . . 129 VAL CG1 . 17525 1 598 . 1 1 76 76 VAL CG2 C 13 23.702 0.30 . 1 . . . . 129 VAL CG2 . 17525 1 599 . 1 1 76 76 VAL N N 15 118.228 0.30 . 1 . . . . 129 VAL N . 17525 1 600 . 1 1 77 77 SER H H 1 8.293 0.02 . 1 . . . . 130 SER H . 17525 1 601 . 1 1 77 77 SER HA H 1 4.654 0.02 . 1 . . . . 130 SER HA . 17525 1 602 . 1 1 77 77 SER HB3 H 1 3.748 0.02 . 2 . . . . 130 SER HB3 . 17525 1 603 . 1 1 77 77 SER C C 13 176.793 0.30 . 1 . . . . 130 SER C . 17525 1 604 . 1 1 77 77 SER CA C 13 61.464 0.30 . 1 . . . . 130 SER CA . 17525 1 605 . 1 1 77 77 SER CB C 13 63.331 0.30 . 1 . . . . 130 SER CB . 17525 1 606 . 1 1 77 77 SER N N 15 112.888 0.30 . 1 . . . . 130 SER N . 17525 1 607 . 1 1 78 78 THR H H 1 7.782 0.02 . 1 . . . . 131 THR H . 17525 1 608 . 1 1 78 78 THR HA H 1 3.797 0.02 . 1 . . . . 131 THR HA . 17525 1 609 . 1 1 78 78 THR HB H 1 4.172 0.02 . 1 . . . . 131 THR HB . 17525 1 610 . 1 1 78 78 THR HG21 H 1 1.120 0.02 . 1 . . . . 131 THR HG21 . 17525 1 611 . 1 1 78 78 THR HG22 H 1 1.120 0.02 . 1 . . . . 131 THR HG22 . 17525 1 612 . 1 1 78 78 THR HG23 H 1 1.120 0.02 . 1 . . . . 131 THR HG23 . 17525 1 613 . 1 1 78 78 THR CA C 13 68.045 0.30 . 1 . . . . 131 THR CA . 17525 1 614 . 1 1 78 78 THR CG2 C 13 23.076 0.30 . 1 . . . . 131 THR CG2 . 17525 1 615 . 1 1 78 78 THR N N 15 118.885 0.30 . 1 . . . . 131 THR N . 17525 1 616 . 1 1 79 79 LEU H H 1 7.996 0.02 . 1 . . . . 132 LEU H . 17525 1 617 . 1 1 79 79 LEU HA H 1 4.087 0.02 . 1 . . . . 132 LEU HA . 17525 1 618 . 1 1 79 79 LEU HB2 H 1 1.480 0.02 . 2 . . . . 132 LEU HB2 . 17525 1 619 . 1 1 79 79 LEU HB3 H 1 1.940 0.02 . 2 . . . . 132 LEU HB3 . 17525 1 620 . 1 1 79 79 LEU HG H 1 0.670 0.02 . 1 . . . . 132 LEU HG . 17525 1 621 . 1 1 79 79 LEU HD11 H 1 0.690 0.02 . 1 . . . . 132 LEU HD11 . 17525 1 622 . 1 1 79 79 LEU HD12 H 1 0.690 0.02 . 1 . . . . 132 LEU HD12 . 17525 1 623 . 1 1 79 79 LEU HD13 H 1 0.690 0.02 . 1 . . . . 132 LEU HD13 . 17525 1 624 . 1 1 79 79 LEU HD21 H 1 1.040 0.02 . 1 . . . . 132 LEU HD21 . 17525 1 625 . 1 1 79 79 LEU HD22 H 1 1.040 0.02 . 1 . . . . 132 LEU HD22 . 17525 1 626 . 1 1 79 79 LEU HD23 H 1 1.040 0.02 . 1 . . . . 132 LEU HD23 . 17525 1 627 . 1 1 79 79 LEU C C 13 178.416 0.30 . 1 . . . . 132 LEU C . 17525 1 628 . 1 1 79 79 LEU CA C 13 58.910 0.30 . 1 . . . . 132 LEU CA . 17525 1 629 . 1 1 79 79 LEU CB C 13 41.351 0.30 . 1 . . . . 132 LEU CB . 17525 1 630 . 1 1 79 79 LEU CG C 13 27.034 0.30 . 1 . . . . 132 LEU CG . 17525 1 631 . 1 1 79 79 LEU CD1 C 13 26.769 0.30 . 1 . . . . 132 LEU CD1 . 17525 1 632 . 1 1 79 79 LEU CD2 C 13 22.712 0.30 . 1 . . . . 132 LEU CD2 . 17525 1 633 . 1 1 79 79 LEU N N 15 122.735 0.30 . 1 . . . . 132 LEU N . 17525 1 634 . 1 1 80 80 GLU H H 1 8.544 0.02 . 1 . . . . 133 GLU H . 17525 1 635 . 1 1 80 80 GLU HA H 1 3.868 0.02 . 1 . . . . 133 GLU HA . 17525 1 636 . 1 1 80 80 GLU HB2 H 1 1.901 0.02 . 2 . . . . 133 GLU HB2 . 17525 1 637 . 1 1 80 80 GLU HB3 H 1 2.197 0.02 . 2 . . . . 133 GLU HB3 . 17525 1 638 . 1 1 80 80 GLU HG2 H 1 2.431 0.02 . 2 . . . . 133 GLU HG2 . 17525 1 639 . 1 1 80 80 GLU HG3 H 1 2.339 0.02 . 2 . . . . 133 GLU HG3 . 17525 1 640 . 1 1 80 80 GLU C C 13 178.194 0.30 . 1 . . . . 133 GLU C . 17525 1 641 . 1 1 80 80 GLU CA C 13 60.222 0.30 . 1 . . . . 133 GLU CA . 17525 1 642 . 1 1 80 80 GLU CB C 13 30.849 0.30 . 1 . . . . 133 GLU CB . 17525 1 643 . 1 1 80 80 GLU CG C 13 37.088 0.30 . 1 . . . . 133 GLU CG . 17525 1 644 . 1 1 80 80 GLU N N 15 114.782 0.30 . 1 . . . . 133 GLU N . 17525 1 645 . 1 1 81 81 ARG H H 1 7.338 0.02 . 1 . . . . 134 ARG H . 17525 1 646 . 1 1 81 81 ARG HA H 1 4.390 0.02 . 1 . . . . 134 ARG HA . 17525 1 647 . 1 1 81 81 ARG HB3 H 1 1.855 0.02 . 2 . . . . 134 ARG HB3 . 17525 1 648 . 1 1 81 81 ARG HG2 H 1 1.646 0.02 . 2 . . . . 134 ARG HG2 . 17525 1 649 . 1 1 81 81 ARG HG3 H 1 1.739 0.02 . 2 . . . . 134 ARG HG3 . 17525 1 650 . 1 1 81 81 ARG HD2 H 1 3.120 0.02 . 2 . . . . 134 ARG HD2 . 17525 1 651 . 1 1 81 81 ARG HD3 H 1 3.098 0.02 . 2 . . . . 134 ARG HD3 . 17525 1 652 . 1 1 81 81 ARG C C 13 174.724 0.30 . 1 . . . . 134 ARG C . 17525 1 653 . 1 1 81 81 ARG CA C 13 55.500 0.30 . 1 . . . . 134 ARG CA . 17525 1 654 . 1 1 81 81 ARG CB C 13 30.824 0.30 . 1 . . . . 134 ARG CB . 17525 1 655 . 1 1 81 81 ARG CG C 13 27.220 0.30 . 1 . . . . 134 ARG CG . 17525 1 656 . 1 1 81 81 ARG CD C 13 43.658 0.30 . 1 . . . . 134 ARG CD . 17525 1 657 . 1 1 81 81 ARG N N 15 115.376 0.30 . 1 . . . . 134 ARG N . 17525 1 658 . 1 1 82 82 HIS H H 1 7.416 0.02 . 1 . . . . 135 HIS H . 17525 1 659 . 1 1 82 82 HIS HA H 1 4.178 0.02 . 1 . . . . 135 HIS HA . 17525 1 660 . 1 1 82 82 HIS HB2 H 1 3.040 0.02 . 2 . . . . 135 HIS HB2 . 17525 1 661 . 1 1 82 82 HIS HB3 H 1 3.390 0.02 . 2 . . . . 135 HIS HB3 . 17525 1 662 . 1 1 82 82 HIS HD2 H 1 7.670 0.02 . 1 . . . . 135 HIS HD2 . 17525 1 663 . 1 1 82 82 HIS CA C 13 58.324 0.30 . 1 . . . . 135 HIS CA . 17525 1 664 . 1 1 82 82 HIS CB C 13 33.908 0.30 . 1 . . . . 135 HIS CB . 17525 1 665 . 1 1 82 82 HIS CD2 C 13 117.900 0.30 . 1 . . . . 135 HIS CD2 . 17525 1 666 . 1 1 82 82 HIS N N 15 125.509 0.30 . 1 . . . . 135 HIS N . 17525 1 667 . 1 1 83 83 ASP H H 1 8.032 0.02 . 1 . . . . 136 ASP H . 17525 1 668 . 1 1 83 83 ASP HA H 1 4.395 0.02 . 1 . . . . 136 ASP HA . 17525 1 669 . 1 1 83 83 ASP HB2 H 1 2.663 0.02 . 2 . . . . 136 ASP HB2 . 17525 1 670 . 1 1 83 83 ASP HB3 H 1 2.588 0.02 . 2 . . . . 136 ASP HB3 . 17525 1 671 . 1 1 83 83 ASP C C 13 178.194 0.30 . 1 . . . . 136 ASP C . 17525 1 672 . 1 1 83 83 ASP CA C 13 57.373 0.30 . 1 . . . . 136 ASP CA . 17525 1 673 . 1 1 83 83 ASP CB C 13 42.650 0.30 . 1 . . . . 136 ASP CB . 17525 1 674 . 1 1 83 83 ASP N N 15 122.902 0.30 . 1 . . . . 136 ASP N . 17525 1 675 . 1 1 84 84 GLU H H 1 11.989 0.02 . 1 . . . . 137 GLU H . 17525 1 676 . 1 1 84 84 GLU HA H 1 4.519 0.02 . 1 . . . . 137 GLU HA . 17525 1 677 . 1 1 84 84 GLU HB2 H 1 1.886 0.02 . 2 . . . . 137 GLU HB2 . 17525 1 678 . 1 1 84 84 GLU HG2 H 1 2.352 0.02 . 2 . . . . 137 GLU HG2 . 17525 1 679 . 1 1 84 84 GLU C C 13 177.966 0.30 . 1 . . . . 137 GLU C . 17525 1 680 . 1 1 84 84 GLU CA C 13 56.756 0.30 . 1 . . . . 137 GLU CA . 17525 1 681 . 1 1 84 84 GLU CB C 13 30.473 0.30 . 1 . . . . 137 GLU CB . 17525 1 682 . 1 1 84 84 GLU CG C 13 38.587 0.30 . 1 . . . . 137 GLU CG . 17525 1 683 . 1 1 84 84 GLU N N 15 123.963 0.30 . 1 . . . . 137 GLU N . 17525 1 684 . 1 1 85 85 VAL H H 1 8.755 0.02 . 1 . . . . 138 VAL H . 17525 1 685 . 1 1 85 85 VAL HA H 1 3.500 0.02 . 1 . . . . 138 VAL HA . 17525 1 686 . 1 1 85 85 VAL HB H 1 2.037 0.02 . 1 . . . . 138 VAL HB . 17525 1 687 . 1 1 85 85 VAL HG11 H 1 0.930 0.02 . 1 . . . . 138 VAL HG11 . 17525 1 688 . 1 1 85 85 VAL HG12 H 1 0.930 0.02 . 1 . . . . 138 VAL HG12 . 17525 1 689 . 1 1 85 85 VAL HG13 H 1 0.930 0.02 . 1 . . . . 138 VAL HG13 . 17525 1 690 . 1 1 85 85 VAL HG21 H 1 1.050 0.02 . 1 . . . . 138 VAL HG21 . 17525 1 691 . 1 1 85 85 VAL HG22 H 1 1.050 0.02 . 1 . . . . 138 VAL HG22 . 17525 1 692 . 1 1 85 85 VAL HG23 H 1 1.050 0.02 . 1 . . . . 138 VAL HG23 . 17525 1 693 . 1 1 85 85 VAL C C 13 177.684 0.30 . 1 . . . . 138 VAL C . 17525 1 694 . 1 1 85 85 VAL CA C 13 66.193 0.30 . 1 . . . . 138 VAL CA . 17525 1 695 . 1 1 85 85 VAL CB C 13 31.708 0.30 . 1 . . . . 138 VAL CB . 17525 1 696 . 1 1 85 85 VAL CG1 C 13 20.600 0.30 . 1 . . . . 138 VAL CG1 . 17525 1 697 . 1 1 85 85 VAL CG2 C 13 21.700 0.30 . 1 . . . . 138 VAL CG2 . 17525 1 698 . 1 1 85 85 VAL N N 15 124.971 0.30 . 1 . . . . 138 VAL N . 17525 1 699 . 1 1 86 86 GLY H H 1 8.989 0.02 . 1 . . . . 139 GLY H . 17525 1 700 . 1 1 86 86 GLY HA2 H 1 3.692 0.02 . 2 . . . . 139 GLY HA2 . 17525 1 701 . 1 1 86 86 GLY HA3 H 1 3.150 0.02 . 2 . . . . 139 GLY HA3 . 17525 1 702 . 1 1 86 86 GLY C C 13 176.252 0.30 . 1 . . . . 139 GLY C . 17525 1 703 . 1 1 86 86 GLY CA C 13 46.742 0.30 . 1 . . . . 139 GLY CA . 17525 1 704 . 1 1 86 86 GLY N N 15 106.028 0.30 . 1 . . . . 139 GLY N . 17525 1 705 . 1 1 87 87 ALA H H 1 6.272 0.02 . 1 . . . . 140 ALA H . 17525 1 706 . 1 1 87 87 ALA HA H 1 3.650 0.02 . 1 . . . . 140 ALA HA . 17525 1 707 . 1 1 87 87 ALA HB1 H 1 0.856 0.02 . 1 . . . . 140 ALA HB1 . 17525 1 708 . 1 1 87 87 ALA HB2 H 1 0.856 0.02 . 1 . . . . 140 ALA HB2 . 17525 1 709 . 1 1 87 87 ALA HB3 H 1 0.856 0.02 . 1 . . . . 140 ALA HB3 . 17525 1 710 . 1 1 87 87 ALA C C 13 178.225 0.30 . 1 . . . . 140 ALA C . 17525 1 711 . 1 1 87 87 ALA CA C 13 54.935 0.30 . 1 . . . . 140 ALA CA . 17525 1 712 . 1 1 87 87 ALA CB C 13 17.405 0.30 . 1 . . . . 140 ALA CB . 17525 1 713 . 1 1 87 87 ALA N N 15 123.770 0.30 . 1 . . . . 140 ALA N . 17525 1 714 . 1 1 88 88 LYS H H 1 7.642 0.02 . 1 . . . . 141 LYS H . 17525 1 715 . 1 1 88 88 LYS HA H 1 4.287 0.02 . 1 . . . . 141 LYS HA . 17525 1 716 . 1 1 88 88 LYS HB2 H 1 1.755 0.02 . 2 . . . . 141 LYS HB2 . 17525 1 717 . 1 1 88 88 LYS HB3 H 1 1.786 0.02 . 2 . . . . 141 LYS HB3 . 17525 1 718 . 1 1 88 88 LYS HG2 H 1 1.368 0.02 . 2 . . . . 141 LYS HG2 . 17525 1 719 . 1 1 88 88 LYS HG3 H 1 1.337 0.02 . 2 . . . . 141 LYS HG3 . 17525 1 720 . 1 1 88 88 LYS HD2 H 1 1.615 0.02 . 2 . . . . 141 LYS HD2 . 17525 1 721 . 1 1 88 88 LYS HD3 H 1 1.585 0.02 . 2 . . . . 141 LYS HD3 . 17525 1 722 . 1 1 88 88 LYS HE2 H 1 2.914 0.02 . 2 . . . . 141 LYS HE2 . 17525 1 723 . 1 1 88 88 LYS HE3 H 1 2.945 0.02 . 2 . . . . 141 LYS HE3 . 17525 1 724 . 1 1 88 88 LYS C C 13 181.026 0.30 . 1 . . . . 141 LYS C . 17525 1 725 . 1 1 88 88 LYS CA C 13 56.756 0.30 . 1 . . . . 141 LYS CA . 17525 1 726 . 1 1 88 88 LYS CB C 13 33.289 0.30 . 1 . . . . 141 LYS CB . 17525 1 727 . 1 1 88 88 LYS CG C 13 24.829 0.30 . 1 . . . . 141 LYS CG . 17525 1 728 . 1 1 88 88 LYS CD C 13 29.327 0.30 . 1 . . . . 141 LYS CD . 17525 1 729 . 1 1 88 88 LYS CE C 13 42.292 0.30 . 1 . . . . 141 LYS CE . 17525 1 730 . 1 1 88 88 LYS N N 15 119.495 0.30 . 1 . . . . 141 LYS N . 17525 1 731 . 1 1 89 89 ASP H H 1 8.479 0.02 . 1 . . . . 142 ASP H . 17525 1 732 . 1 1 89 89 ASP HA H 1 4.357 0.02 . 1 . . . . 142 ASP HA . 17525 1 733 . 1 1 89 89 ASP HB2 H 1 2.565 0.02 . 2 . . . . 142 ASP HB2 . 17525 1 734 . 1 1 89 89 ASP HB3 H 1 2.659 0.02 . 2 . . . . 142 ASP HB3 . 17525 1 735 . 1 1 89 89 ASP C C 13 178.544 0.30 . 1 . . . . 142 ASP C . 17525 1 736 . 1 1 89 89 ASP CA C 13 57.649 0.30 . 1 . . . . 142 ASP CA . 17525 1 737 . 1 1 89 89 ASP CB C 13 41.103 0.30 . 1 . . . . 142 ASP CB . 17525 1 738 . 1 1 89 89 ASP N N 15 120.380 0.30 . 1 . . . . 142 ASP N . 17525 1 739 . 1 1 90 90 LEU H H 1 7.464 0.02 . 1 . . . . 143 LEU H . 17525 1 740 . 1 1 90 90 LEU HA H 1 4.234 0.02 . 1 . . . . 143 LEU HA . 17525 1 741 . 1 1 90 90 LEU HB2 H 1 2.018 0.02 . 2 . . . . 143 LEU HB2 . 17525 1 742 . 1 1 90 90 LEU HB3 H 1 1.637 0.02 . 2 . . . . 143 LEU HB3 . 17525 1 743 . 1 1 90 90 LEU HG H 1 1.580 0.02 . 1 . . . . 143 LEU HG . 17525 1 744 . 1 1 90 90 LEU HD11 H 1 0.863 0.02 . 2 . . . . 143 LEU HD11 . 17525 1 745 . 1 1 90 90 LEU HD12 H 1 0.863 0.02 . 2 . . . . 143 LEU HD12 . 17525 1 746 . 1 1 90 90 LEU HD13 H 1 0.863 0.02 . 2 . . . . 143 LEU HD13 . 17525 1 747 . 1 1 90 90 LEU C C 13 178.798 0.30 . 1 . . . . 143 LEU C . 17525 1 748 . 1 1 90 90 LEU CA C 13 58.298 0.30 . 1 . . . . 143 LEU CA . 17525 1 749 . 1 1 90 90 LEU CB C 13 40.989 0.30 . 1 . . . . 143 LEU CB . 17525 1 750 . 1 1 90 90 LEU CG C 13 27.386 0.30 . 1 . . . . 143 LEU CG . 17525 1 751 . 1 1 90 90 LEU CD1 C 13 24.917 0.30 . 2 . . . . 143 LEU CD1 . 17525 1 752 . 1 1 90 90 LEU CD2 C 13 22.359 0.30 . 2 . . . . 143 LEU CD2 . 17525 1 753 . 1 1 90 90 LEU N N 15 122.101 0.30 . 1 . . . . 143 LEU N . 17525 1 754 . 1 1 91 91 GLY H H 1 9.053 0.02 . 1 . . . . 144 GLY H . 17525 1 755 . 1 1 91 91 GLY HA2 H 1 3.390 0.02 . 2 . . . . 144 GLY HA2 . 17525 1 756 . 1 1 91 91 GLY HA3 H 1 3.498 0.02 . 2 . . . . 144 GLY HA3 . 17525 1 757 . 1 1 91 91 GLY C C 13 173.674 0.30 . 1 . . . . 144 GLY C . 17525 1 758 . 1 1 91 91 GLY CA C 13 48.904 0.30 . 1 . . . . 144 GLY CA . 17525 1 759 . 1 1 91 91 GLY N N 15 106.857 0.30 . 1 . . . . 144 GLY N . 17525 1 760 . 1 1 92 92 ALA H H 1 8.214 0.02 . 1 . . . . 145 ALA H . 17525 1 761 . 1 1 92 92 ALA HA H 1 4.282 0.02 . 1 . . . . 145 ALA HA . 17525 1 762 . 1 1 92 92 ALA C C 13 180.676 0.30 . 1 . . . . 145 ALA C . 17525 1 763 . 1 1 92 92 ALA CA C 13 54.935 0.30 . 1 . . . . 145 ALA CA . 17525 1 764 . 1 1 92 92 ALA CB C 13 18.062 0.30 . 1 . . . . 145 ALA CB . 17525 1 765 . 1 1 92 92 ALA N N 15 122.675 0.30 . 1 . . . . 145 ALA N . 17525 1 766 . 1 1 93 93 LYS H H 1 7.892 0.02 . 1 . . . . 146 LYS H . 17525 1 767 . 1 1 93 93 LYS HA H 1 4.095 0.02 . 1 . . . . 146 LYS HA . 17525 1 768 . 1 1 93 93 LYS HB2 H 1 1.861 0.02 . 2 . . . . 146 LYS HB2 . 17525 1 769 . 1 1 93 93 LYS HB3 H 1 1.861 0.02 . 2 . . . . 146 LYS HB3 . 17525 1 770 . 1 1 93 93 LYS HG2 H 1 1.353 0.02 . 2 . . . . 146 LYS HG2 . 17525 1 771 . 1 1 93 93 LYS HG3 H 1 1.368 0.02 . 2 . . . . 146 LYS HG3 . 17525 1 772 . 1 1 93 93 LYS HD2 H 1 1.585 0.02 . 2 . . . . 146 LYS HD2 . 17525 1 773 . 1 1 93 93 LYS HD3 H 1 1.615 0.02 . 2 . . . . 146 LYS HD3 . 17525 1 774 . 1 1 93 93 LYS HE2 H 1 2.945 0.02 . 2 . . . . 146 LYS HE2 . 17525 1 775 . 1 1 93 93 LYS HE3 H 1 2.914 0.02 . 2 . . . . 146 LYS HE3 . 17525 1 776 . 1 1 93 93 LYS C C 13 180.453 0.30 . 1 . . . . 146 LYS C . 17525 1 777 . 1 1 93 93 LYS CA C 13 59.562 0.30 . 1 . . . . 146 LYS CA . 17525 1 778 . 1 1 93 93 LYS CB C 13 32.695 0.30 . 1 . . . . 146 LYS CB . 17525 1 779 . 1 1 93 93 LYS CG C 13 24.829 0.30 . 1 . . . . 146 LYS CG . 17525 1 780 . 1 1 93 93 LYS CD C 13 29.239 0.30 . 1 . . . . 146 LYS CD . 17525 1 781 . 1 1 93 93 LYS CE C 13 42.380 0.30 . 1 . . . . 146 LYS CE . 17525 1 782 . 1 1 93 93 LYS N N 15 120.117 0.30 . 1 . . . . 146 LYS N . 17525 1 783 . 1 1 94 94 LEU H H 1 8.595 0.02 . 1 . . . . 147 LEU H . 17525 1 784 . 1 1 94 94 LEU HA H 1 4.025 0.02 . 1 . . . . 147 LEU HA . 17525 1 785 . 1 1 94 94 LEU HD11 H 1 0.630 0.02 . 1 . . . . 147 LEU HD11 . 17525 1 786 . 1 1 94 94 LEU HD12 H 1 0.630 0.02 . 1 . . . . 147 LEU HD12 . 17525 1 787 . 1 1 94 94 LEU HD13 H 1 0.630 0.02 . 1 . . . . 147 LEU HD13 . 17525 1 788 . 1 1 94 94 LEU HD21 H 1 0.770 0.02 . 1 . . . . 147 LEU HD21 . 17525 1 789 . 1 1 94 94 LEU HD22 H 1 0.770 0.02 . 1 . . . . 147 LEU HD22 . 17525 1 790 . 1 1 94 94 LEU HD23 H 1 0.770 0.02 . 1 . . . . 147 LEU HD23 . 17525 1 791 . 1 1 94 94 LEU C C 13 178.162 0.30 . 1 . . . . 147 LEU C . 17525 1 792 . 1 1 94 94 LEU CA C 13 58.005 0.30 . 1 . . . . 147 LEU CA . 17525 1 793 . 1 1 94 94 LEU CB C 13 42.030 0.30 . 1 . . . . 147 LEU CB . 17525 1 794 . 1 1 94 94 LEU CG C 13 26.063 0.30 . 1 . . . . 147 LEU CG . 17525 1 795 . 1 1 94 94 LEU CD1 C 13 26.280 0.30 . 1 . . . . 147 LEU CD1 . 17525 1 796 . 1 1 94 94 LEU CD2 C 13 22.640 0.30 . 1 . . . . 147 LEU CD2 . 17525 1 797 . 1 1 94 94 LEU N N 15 120.487 0.30 . 1 . . . . 147 LEU N . 17525 1 798 . 1 1 95 95 ARG H H 1 8.851 0.02 . 1 . . . . 148 ARG H . 17525 1 799 . 1 1 95 95 ARG HA H 1 3.777 0.02 . 1 . . . . 148 ARG HA . 17525 1 800 . 1 1 95 95 ARG HB2 H 1 1.708 0.02 . 2 . . . . 148 ARG HB2 . 17525 1 801 . 1 1 95 95 ARG HB3 H 1 1.761 0.02 . 2 . . . . 148 ARG HB3 . 17525 1 802 . 1 1 95 95 ARG HG2 H 1 1.529 0.02 . 2 . . . . 148 ARG HG2 . 17525 1 803 . 1 1 95 95 ARG HG3 H 1 1.368 0.02 . 2 . . . . 148 ARG HG3 . 17525 1 804 . 1 1 95 95 ARG HD2 H 1 2.939 0.02 . 2 . . . . 148 ARG HD2 . 17525 1 805 . 1 1 95 95 ARG HD3 H 1 2.894 0.02 . 2 . . . . 148 ARG HD3 . 17525 1 806 . 1 1 95 95 ARG C C 13 178.225 0.30 . 1 . . . . 148 ARG C . 17525 1 807 . 1 1 95 95 ARG CA C 13 58.107 0.30 . 1 . . . . 148 ARG CA . 17525 1 808 . 1 1 95 95 ARG CB C 13 28.593 0.30 . 1 . . . . 148 ARG CB . 17525 1 809 . 1 1 95 95 ARG CG C 13 24.893 0.30 . 1 . . . . 148 ARG CG . 17525 1 810 . 1 1 95 95 ARG CD C 13 42.427 0.30 . 1 . . . . 148 ARG CD . 17525 1 811 . 1 1 95 95 ARG N N 15 120.930 0.30 . 1 . . . . 148 ARG N . 17525 1 812 . 1 1 96 96 ASP H H 1 7.808 0.02 . 1 . . . . 149 ASP H . 17525 1 813 . 1 1 96 96 ASP HA H 1 4.339 0.02 . 1 . . . . 149 ASP HA . 17525 1 814 . 1 1 96 96 ASP HB2 H 1 2.749 0.02 . 2 . . . . 149 ASP HB2 . 17525 1 815 . 1 1 96 96 ASP HB3 H 1 2.666 0.02 . 2 . . . . 149 ASP HB3 . 17525 1 816 . 1 1 96 96 ASP C C 13 177.684 0.30 . 1 . . . . 149 ASP C . 17525 1 817 . 1 1 96 96 ASP CA C 13 57.686 0.30 . 1 . . . . 149 ASP CA . 17525 1 818 . 1 1 96 96 ASP CB C 13 41.426 0.30 . 1 . . . . 149 ASP CB . 17525 1 819 . 1 1 96 96 ASP N N 15 118.032 0.30 . 1 . . . . 149 ASP N . 17525 1 820 . 1 1 97 97 ALA H H 1 7.434 0.02 . 1 . . . . 150 ALA H . 17525 1 821 . 1 1 97 97 ALA HA H 1 4.154 0.02 . 1 . . . . 150 ALA HA . 17525 1 822 . 1 1 97 97 ALA HB1 H 1 1.519 0.02 . 1 . . . . 150 ALA HB1 . 17525 1 823 . 1 1 97 97 ALA HB2 H 1 1.519 0.02 . 1 . . . . 150 ALA HB2 . 17525 1 824 . 1 1 97 97 ALA HB3 H 1 1.519 0.02 . 1 . . . . 150 ALA HB3 . 17525 1 825 . 1 1 97 97 ALA C C 13 179.594 0.30 . 1 . . . . 150 ALA C . 17525 1 826 . 1 1 97 97 ALA CA C 13 54.237 0.30 . 1 . . . . 150 ALA CA . 17525 1 827 . 1 1 97 97 ALA CB C 13 18.669 0.30 . 1 . . . . 150 ALA CB . 17525 1 828 . 1 1 97 97 ALA N N 15 119.412 0.30 . 1 . . . . 150 ALA N . 17525 1 829 . 1 1 98 98 LEU H H 1 7.996 0.02 . 1 . . . . 151 LEU H . 17525 1 830 . 1 1 98 98 LEU HA H 1 4.031 0.02 . 1 . . . . 151 LEU HA . 17525 1 831 . 1 1 98 98 LEU HB2 H 1 1.739 0.02 . 2 . . . . 151 LEU HB2 . 17525 1 832 . 1 1 98 98 LEU HB3 H 1 1.662 0.02 . 2 . . . . 151 LEU HB3 . 17525 1 833 . 1 1 98 98 LEU HG H 1 1.538 0.02 . 1 . . . . 151 LEU HG . 17525 1 834 . 1 1 98 98 LEU HD11 H 1 0.796 0.02 . 2 . . . . 151 LEU HD11 . 17525 1 835 . 1 1 98 98 LEU HD12 H 1 0.796 0.02 . 2 . . . . 151 LEU HD12 . 17525 1 836 . 1 1 98 98 LEU HD13 H 1 0.796 0.02 . 2 . . . . 151 LEU HD13 . 17525 1 837 . 1 1 98 98 LEU HD21 H 1 0.765 0.02 . 2 . . . . 151 LEU HD21 . 17525 1 838 . 1 1 98 98 LEU HD22 H 1 0.765 0.02 . 2 . . . . 151 LEU HD22 . 17525 1 839 . 1 1 98 98 LEU HD23 H 1 0.765 0.02 . 2 . . . . 151 LEU HD23 . 17525 1 840 . 1 1 98 98 LEU C C 13 178.353 0.30 . 1 . . . . 151 LEU C . 17525 1 841 . 1 1 98 98 LEU CA C 13 57.645 0.30 . 1 . . . . 151 LEU CA . 17525 1 842 . 1 1 98 98 LEU CB C 13 42.380 0.30 . 1 . . . . 151 LEU CB . 17525 1 843 . 1 1 98 98 LEU CG C 13 26.769 0.30 . 1 . . . . 151 LEU CG . 17525 1 844 . 1 1 98 98 LEU CD1 C 13 24.829 0.30 . 2 . . . . 151 LEU CD1 . 17525 1 845 . 1 1 98 98 LEU CD2 C 13 24.388 0.30 . 2 . . . . 151 LEU CD2 . 17525 1 846 . 1 1 98 98 LEU N N 15 120.452 0.30 . 1 . . . . 151 LEU N . 17525 1 847 . 1 1 99 99 ASP H H 1 8.139 0.02 . 1 . . . . 152 ASP H . 17525 1 848 . 1 1 99 99 ASP HA H 1 4.539 0.02 . 1 . . . . 152 ASP HA . 17525 1 849 . 1 1 99 99 ASP HB2 H 1 2.714 0.02 . 2 . . . . 152 ASP HB2 . 17525 1 850 . 1 1 99 99 ASP HB3 H 1 2.650 0.02 . 2 . . . . 152 ASP HB3 . 17525 1 851 . 1 1 99 99 ASP C C 13 176.704 0.30 . 1 . . . . 152 ASP C . 17525 1 852 . 1 1 99 99 ASP CA C 13 55.851 0.30 . 1 . . . . 152 ASP CA . 17525 1 853 . 1 1 99 99 ASP CB C 13 41.426 0.30 . 1 . . . . 152 ASP CB . 17525 1 854 . 1 1 99 99 ASP N N 15 118.685 0.30 . 1 . . . . 152 ASP N . 17525 1 855 . 1 1 100 100 ARG H H 1 7.654 0.02 . 1 . . . . 153 ARG H . 17525 1 856 . 1 1 100 100 ARG HA H 1 4.322 0.02 . 1 . . . . 153 ARG HA . 17525 1 857 . 1 1 100 100 ARG HB3 H 1 1.870 0.02 . 2 . . . . 153 ARG HB3 . 17525 1 858 . 1 1 100 100 ARG HG2 H 1 1.632 0.02 . 2 . . . . 153 ARG HG2 . 17525 1 859 . 1 1 100 100 ARG HG3 H 1 1.679 0.02 . 2 . . . . 153 ARG HG3 . 17525 1 860 . 1 1 100 100 ARG HD2 H 1 3.145 0.02 . 2 . . . . 153 ARG HD2 . 17525 1 861 . 1 1 100 100 ARG HD3 H 1 3.155 0.02 . 2 . . . . 153 ARG HD3 . 17525 1 862 . 1 1 100 100 ARG C C 13 175.615 0.30 . 1 . . . . 153 ARG C . 17525 1 863 . 1 1 100 100 ARG CA C 13 56.168 0.30 . 1 . . . . 153 ARG CA . 17525 1 864 . 1 1 100 100 ARG CB C 13 31.148 0.30 . 1 . . . . 153 ARG CB . 17525 1 865 . 1 1 100 100 ARG CG C 13 27.396 0.30 . 1 . . . . 153 ARG CG . 17525 1 866 . 1 1 100 100 ARG CD C 13 43.570 0.30 . 1 . . . . 153 ARG CD . 17525 1 867 . 1 1 100 100 ARG N N 15 119.710 0.30 . 1 . . . . 153 ARG N . 17525 1 868 . 1 1 101 101 GLN H H 1 7.806 0.02 . 1 . . . . 154 GLN H . 17525 1 869 . 1 1 101 101 GLN HA H 1 4.077 0.02 . 1 . . . . 154 GLN HA . 17525 1 870 . 1 1 101 101 GLN HB2 H 1 2.082 0.02 . 2 . . . . 154 GLN HB2 . 17525 1 871 . 1 1 101 101 GLN HB3 H 1 1.917 0.02 . 2 . . . . 154 GLN HB3 . 17525 1 872 . 1 1 101 101 GLN C C 13 180.676 0.30 . 1 . . . . 154 GLN C . 17525 1 873 . 1 1 101 101 GLN CA C 13 57.730 0.30 . 1 . . . . 154 GLN CA . 17525 1 874 . 1 1 101 101 GLN CB C 13 30.290 0.30 . 1 . . . . 154 GLN CB . 17525 1 875 . 1 1 101 101 GLN CG C 13 34.178 0.30 . 1 . . . . 154 GLN CG . 17525 1 876 . 1 1 101 101 GLN N N 15 125.975 0.30 . 1 . . . . 154 GLN N . 17525 1 stop_ save_