data_25701 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25701 _Entry.Title ; Backbone assignments and ILV methyl assignments for EcoRV bound to 16-mer double stranded DNA (GCAAAGATATCTTTCG) without Lu3+ ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-07-13 _Entry.Accession_date 2015-07-15 _Entry.Last_release_date 2015-07-15 _Entry.Original_release_date 2015-07-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1.1.61 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Kaustubh Sinha . . . . 25701 2 Sahil Sangani . S . . 25701 3 Gordon Rule . S . . 25701 4 Linda Jen-Jacobson . . . . 25701 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Rule Lab ; Carnegie Mellon University' . 25701 2 . 'Jen-Jacobson Lab; Univ. of Pittsburgh' . 25701 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25701 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 371 25701 '15N chemical shifts' 121 25701 '1H chemical shifts' 295 25701 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 . . 2018-04-18 . original BMRB . 25701 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25752 'Complex with Lu3+' 25701 stop_ save_ ############### # Citations # ############### save_RV_AAA_Lu _Citation.Sf_category citations _Citation.Sf_framecode RV_AAA_Lu _Citation.Entry_ID 25701 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27786446 _Citation.Full_citation . _Citation.Title ; Metal Ion Binding at the Catalytic Site Induces Widely Distributed Changes in a Sequence Specific Protein-DNA Complex.' ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 55 _Citation.Journal_issue 44 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-4995 _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 6115 _Citation.Page_last 6132 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Kaustubh Sinha K. . . . 25701 1 2 Sahil Sangani S. S. . . 25701 1 3 Andrew Kehr A. D. . . 25701 1 4 Gordon Rule G. S. . . 25701 1 5 Linda Jen-Jacobson L. . . . 25701 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 25701 _Assembly.ID 1 _Assembly.Name 'EcoRV dimer with cognate DNA' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 65000 _Assembly.Enzyme_commission_number 3.1.21.4 _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 'RV dimer, 1' 1 $EcoRV A . yes native no no . Enzyme . 25701 1 2 'RV dimer, 2' 1 $EcoRV B . yes native no no . Enzyme . 25701 1 3 'AAA DNA fragment, 1' 2 $5'-GCAAAGATATCTTTCG-3' C . no native no no . Substrate . 25701 1 4 'AAA DNA fragment, 2' 2 $5'-GCAAAGATATCTTTCG-3' D . no native no no . Substrate . 25701 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_EcoRV _Entity.Sf_category entity _Entity.Sf_framecode EcoRV _Entity.Entry_ID 25701 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name EcoRV _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SLRSDLINALYDENQKYDVC GIISAEGKIYPLGSDTKVLS TIFELFSRPIINKIAEKHGY IVEEPKQQNHYPDFTLYKPS EPNKKIAIDIKTTYTNKENE KIKFTLGGYTSFIRNNTKNI VYPFDQYIAHWIIGYVYTRV ATRKSSLKTYNINELNEIPK PYKGVKVFLQDKWVIAGDLA GSGNTTNIGSIHAHYKDFVE GKGIFDSEDEFLDYWRNYER TSQLRNDKYNNISEYRNWIY RGRK ; _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 244 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 3.1.21.4 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 28650 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Restriction endonuclease, type II' 25701 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 2 SER . 25701 1 2 3 LEU . 25701 1 3 4 ARG . 25701 1 4 5 SER . 25701 1 5 6 ASP . 25701 1 6 7 LEU . 25701 1 7 8 ILE . 25701 1 8 9 ASN . 25701 1 9 10 ALA . 25701 1 10 11 LEU . 25701 1 11 12 TYR . 25701 1 12 13 ASP . 25701 1 13 14 GLU . 25701 1 14 15 ASN . 25701 1 15 16 GLN . 25701 1 16 17 LYS . 25701 1 17 18 TYR . 25701 1 18 19 ASP . 25701 1 19 20 VAL . 25701 1 20 21 CYS . 25701 1 21 22 GLY . 25701 1 22 23 ILE . 25701 1 23 24 ILE . 25701 1 24 25 SER . 25701 1 25 26 ALA . 25701 1 26 27 GLU . 25701 1 27 28 GLY . 25701 1 28 29 LYS . 25701 1 29 30 ILE . 25701 1 30 31 TYR . 25701 1 31 32 PRO . 25701 1 32 33 LEU . 25701 1 33 34 GLY . 25701 1 34 35 SER . 25701 1 35 36 ASP . 25701 1 36 37 THR . 25701 1 37 38 LYS . 25701 1 38 39 VAL . 25701 1 39 40 LEU . 25701 1 40 41 SER . 25701 1 41 42 THR . 25701 1 42 43 ILE . 25701 1 43 44 PHE . 25701 1 44 45 GLU . 25701 1 45 46 LEU . 25701 1 46 47 PHE . 25701 1 47 48 SER . 25701 1 48 49 ARG . 25701 1 49 50 PRO . 25701 1 50 51 ILE . 25701 1 51 52 ILE . 25701 1 52 53 ASN . 25701 1 53 54 LYS . 25701 1 54 55 ILE . 25701 1 55 56 ALA . 25701 1 56 57 GLU . 25701 1 57 58 LYS . 25701 1 58 59 HIS . 25701 1 59 60 GLY . 25701 1 60 61 TYR . 25701 1 61 62 ILE . 25701 1 62 63 VAL . 25701 1 63 64 GLU . 25701 1 64 65 GLU . 25701 1 65 66 PRO . 25701 1 66 67 LYS . 25701 1 67 68 GLN . 25701 1 68 69 GLN . 25701 1 69 70 ASN . 25701 1 70 71 HIS . 25701 1 71 72 TYR . 25701 1 72 73 PRO . 25701 1 73 74 ASP . 25701 1 74 75 PHE . 25701 1 75 76 THR . 25701 1 76 77 LEU . 25701 1 77 78 TYR . 25701 1 78 79 LYS . 25701 1 79 80 PRO . 25701 1 80 81 SER . 25701 1 81 82 GLU . 25701 1 82 83 PRO . 25701 1 83 84 ASN . 25701 1 84 85 LYS . 25701 1 85 86 LYS . 25701 1 86 87 ILE . 25701 1 87 88 ALA . 25701 1 88 89 ILE . 25701 1 89 90 ASP . 25701 1 90 91 ILE . 25701 1 91 92 LYS . 25701 1 92 93 THR . 25701 1 93 94 THR . 25701 1 94 95 TYR . 25701 1 95 96 THR . 25701 1 96 97 ASN . 25701 1 97 98 LYS . 25701 1 98 99 GLU . 25701 1 99 100 ASN . 25701 1 100 101 GLU . 25701 1 101 102 LYS . 25701 1 102 103 ILE . 25701 1 103 104 LYS . 25701 1 104 105 PHE . 25701 1 105 106 THR . 25701 1 106 107 LEU . 25701 1 107 108 GLY . 25701 1 108 109 GLY . 25701 1 109 110 TYR . 25701 1 110 111 THR . 25701 1 111 112 SER . 25701 1 112 113 PHE . 25701 1 113 114 ILE . 25701 1 114 115 ARG . 25701 1 115 116 ASN . 25701 1 116 117 ASN . 25701 1 117 118 THR . 25701 1 118 119 LYS . 25701 1 119 120 ASN . 25701 1 120 121 ILE . 25701 1 121 122 VAL . 25701 1 122 123 TYR . 25701 1 123 124 PRO . 25701 1 124 125 PHE . 25701 1 125 126 ASP . 25701 1 126 127 GLN . 25701 1 127 128 TYR . 25701 1 128 129 ILE . 25701 1 129 130 ALA . 25701 1 130 131 HIS . 25701 1 131 132 TRP . 25701 1 132 133 ILE . 25701 1 133 134 ILE . 25701 1 134 135 GLY . 25701 1 135 136 TYR . 25701 1 136 137 VAL . 25701 1 137 138 TYR . 25701 1 138 139 THR . 25701 1 139 140 ARG . 25701 1 140 141 VAL . 25701 1 141 142 ALA . 25701 1 142 143 THR . 25701 1 143 144 ARG . 25701 1 144 145 LYS . 25701 1 145 146 SER . 25701 1 146 147 SER . 25701 1 147 148 LEU . 25701 1 148 149 LYS . 25701 1 149 150 THR . 25701 1 150 151 TYR . 25701 1 151 152 ASN . 25701 1 152 153 ILE . 25701 1 153 154 ASN . 25701 1 154 155 GLU . 25701 1 155 156 LEU . 25701 1 156 157 ASN . 25701 1 157 158 GLU . 25701 1 158 159 ILE . 25701 1 159 160 PRO . 25701 1 160 161 LYS . 25701 1 161 162 PRO . 25701 1 162 163 TYR . 25701 1 163 164 LYS . 25701 1 164 165 GLY . 25701 1 165 166 VAL . 25701 1 166 167 LYS . 25701 1 167 168 VAL . 25701 1 168 169 PHE . 25701 1 169 170 LEU . 25701 1 170 171 GLN . 25701 1 171 172 ASP . 25701 1 172 173 LYS . 25701 1 173 174 TRP . 25701 1 174 175 VAL . 25701 1 175 176 ILE . 25701 1 176 177 ALA . 25701 1 177 178 GLY . 25701 1 178 179 ASP . 25701 1 179 180 LEU . 25701 1 180 181 ALA . 25701 1 181 182 GLY . 25701 1 182 183 SER . 25701 1 183 184 GLY . 25701 1 184 185 ASN . 25701 1 185 186 THR . 25701 1 186 187 THR . 25701 1 187 188 ASN . 25701 1 188 189 ILE . 25701 1 189 190 GLY . 25701 1 190 191 SER . 25701 1 191 192 ILE . 25701 1 192 193 HIS . 25701 1 193 194 ALA . 25701 1 194 195 HIS . 25701 1 195 196 TYR . 25701 1 196 197 LYS . 25701 1 197 198 ASP . 25701 1 198 199 PHE . 25701 1 199 200 VAL . 25701 1 200 201 GLU . 25701 1 201 202 GLY . 25701 1 202 203 LYS . 25701 1 203 204 GLY . 25701 1 204 205 ILE . 25701 1 205 206 PHE . 25701 1 206 207 ASP . 25701 1 207 208 SER . 25701 1 208 209 GLU . 25701 1 209 210 ASP . 25701 1 210 211 GLU . 25701 1 211 212 PHE . 25701 1 212 213 LEU . 25701 1 213 214 ASP . 25701 1 214 215 TYR . 25701 1 215 216 TRP . 25701 1 216 217 ARG . 25701 1 217 218 ASN . 25701 1 218 219 TYR . 25701 1 219 220 GLU . 25701 1 220 221 ARG . 25701 1 221 222 THR . 25701 1 222 223 SER . 25701 1 223 224 GLN . 25701 1 224 225 LEU . 25701 1 225 226 ARG . 25701 1 226 227 ASN . 25701 1 227 228 ASP . 25701 1 228 229 LYS . 25701 1 229 230 TYR . 25701 1 230 231 ASN . 25701 1 231 232 ASN . 25701 1 232 233 ILE . 25701 1 233 234 SER . 25701 1 234 235 GLU . 25701 1 235 236 TYR . 25701 1 236 237 ARG . 25701 1 237 238 ASN . 25701 1 238 239 TRP . 25701 1 239 240 ILE . 25701 1 240 241 TYR . 25701 1 241 242 ARG . 25701 1 242 243 GLY . 25701 1 243 244 ARG . 25701 1 244 245 LYS . 25701 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 25701 1 . LEU 2 2 25701 1 . ARG 3 3 25701 1 . SER 4 4 25701 1 . ASP 5 5 25701 1 . LEU 6 6 25701 1 . ILE 7 7 25701 1 . ASN 8 8 25701 1 . ALA 9 9 25701 1 . LEU 10 10 25701 1 . TYR 11 11 25701 1 . ASP 12 12 25701 1 . GLU 13 13 25701 1 . ASN 14 14 25701 1 . GLN 15 15 25701 1 . LYS 16 16 25701 1 . TYR 17 17 25701 1 . ASP 18 18 25701 1 . VAL 19 19 25701 1 . CYS 20 20 25701 1 . GLY 21 21 25701 1 . ILE 22 22 25701 1 . ILE 23 23 25701 1 . SER 24 24 25701 1 . ALA 25 25 25701 1 . GLU 26 26 25701 1 . GLY 27 27 25701 1 . LYS 28 28 25701 1 . ILE 29 29 25701 1 . TYR 30 30 25701 1 . PRO 31 31 25701 1 . LEU 32 32 25701 1 . GLY 33 33 25701 1 . SER 34 34 25701 1 . ASP 35 35 25701 1 . THR 36 36 25701 1 . LYS 37 37 25701 1 . VAL 38 38 25701 1 . LEU 39 39 25701 1 . SER 40 40 25701 1 . THR 41 41 25701 1 . ILE 42 42 25701 1 . PHE 43 43 25701 1 . GLU 44 44 25701 1 . LEU 45 45 25701 1 . PHE 46 46 25701 1 . SER 47 47 25701 1 . ARG 48 48 25701 1 . PRO 49 49 25701 1 . ILE 50 50 25701 1 . ILE 51 51 25701 1 . ASN 52 52 25701 1 . LYS 53 53 25701 1 . ILE 54 54 25701 1 . ALA 55 55 25701 1 . GLU 56 56 25701 1 . LYS 57 57 25701 1 . HIS 58 58 25701 1 . GLY 59 59 25701 1 . TYR 60 60 25701 1 . ILE 61 61 25701 1 . VAL 62 62 25701 1 . GLU 63 63 25701 1 . GLU 64 64 25701 1 . PRO 65 65 25701 1 . LYS 66 66 25701 1 . GLN 67 67 25701 1 . GLN 68 68 25701 1 . ASN 69 69 25701 1 . HIS 70 70 25701 1 . TYR 71 71 25701 1 . PRO 72 72 25701 1 . ASP 73 73 25701 1 . PHE 74 74 25701 1 . THR 75 75 25701 1 . LEU 76 76 25701 1 . TYR 77 77 25701 1 . LYS 78 78 25701 1 . PRO 79 79 25701 1 . SER 80 80 25701 1 . GLU 81 81 25701 1 . PRO 82 82 25701 1 . ASN 83 83 25701 1 . LYS 84 84 25701 1 . LYS 85 85 25701 1 . ILE 86 86 25701 1 . ALA 87 87 25701 1 . ILE 88 88 25701 1 . ASP 89 89 25701 1 . ILE 90 90 25701 1 . LYS 91 91 25701 1 . THR 92 92 25701 1 . THR 93 93 25701 1 . TYR 94 94 25701 1 . THR 95 95 25701 1 . ASN 96 96 25701 1 . LYS 97 97 25701 1 . GLU 98 98 25701 1 . ASN 99 99 25701 1 . GLU 100 100 25701 1 . LYS 101 101 25701 1 . ILE 102 102 25701 1 . LYS 103 103 25701 1 . PHE 104 104 25701 1 . THR 105 105 25701 1 . LEU 106 106 25701 1 . GLY 107 107 25701 1 . GLY 108 108 25701 1 . TYR 109 109 25701 1 . THR 110 110 25701 1 . SER 111 111 25701 1 . PHE 112 112 25701 1 . ILE 113 113 25701 1 . ARG 114 114 25701 1 . ASN 115 115 25701 1 . ASN 116 116 25701 1 . THR 117 117 25701 1 . LYS 118 118 25701 1 . ASN 119 119 25701 1 . ILE 120 120 25701 1 . VAL 121 121 25701 1 . TYR 122 122 25701 1 . PRO 123 123 25701 1 . PHE 124 124 25701 1 . ASP 125 125 25701 1 . GLN 126 126 25701 1 . TYR 127 127 25701 1 . ILE 128 128 25701 1 . ALA 129 129 25701 1 . HIS 130 130 25701 1 . TRP 131 131 25701 1 . ILE 132 132 25701 1 . ILE 133 133 25701 1 . GLY 134 134 25701 1 . TYR 135 135 25701 1 . VAL 136 136 25701 1 . TYR 137 137 25701 1 . THR 138 138 25701 1 . ARG 139 139 25701 1 . VAL 140 140 25701 1 . ALA 141 141 25701 1 . THR 142 142 25701 1 . ARG 143 143 25701 1 . LYS 144 144 25701 1 . SER 145 145 25701 1 . SER 146 146 25701 1 . LEU 147 147 25701 1 . LYS 148 148 25701 1 . THR 149 149 25701 1 . TYR 150 150 25701 1 . ASN 151 151 25701 1 . ILE 152 152 25701 1 . ASN 153 153 25701 1 . GLU 154 154 25701 1 . LEU 155 155 25701 1 . ASN 156 156 25701 1 . GLU 157 157 25701 1 . ILE 158 158 25701 1 . PRO 159 159 25701 1 . LYS 160 160 25701 1 . PRO 161 161 25701 1 . TYR 162 162 25701 1 . LYS 163 163 25701 1 . GLY 164 164 25701 1 . VAL 165 165 25701 1 . LYS 166 166 25701 1 . VAL 167 167 25701 1 . PHE 168 168 25701 1 . LEU 169 169 25701 1 . GLN 170 170 25701 1 . ASP 171 171 25701 1 . LYS 172 172 25701 1 . TRP 173 173 25701 1 . VAL 174 174 25701 1 . ILE 175 175 25701 1 . ALA 176 176 25701 1 . GLY 177 177 25701 1 . ASP 178 178 25701 1 . LEU 179 179 25701 1 . ALA 180 180 25701 1 . GLY 181 181 25701 1 . SER 182 182 25701 1 . GLY 183 183 25701 1 . ASN 184 184 25701 1 . THR 185 185 25701 1 . THR 186 186 25701 1 . ASN 187 187 25701 1 . ILE 188 188 25701 1 . GLY 189 189 25701 1 . SER 190 190 25701 1 . ILE 191 191 25701 1 . HIS 192 192 25701 1 . ALA 193 193 25701 1 . HIS 194 194 25701 1 . TYR 195 195 25701 1 . LYS 196 196 25701 1 . ASP 197 197 25701 1 . PHE 198 198 25701 1 . VAL 199 199 25701 1 . GLU 200 200 25701 1 . GLY 201 201 25701 1 . LYS 202 202 25701 1 . GLY 203 203 25701 1 . ILE 204 204 25701 1 . PHE 205 205 25701 1 . ASP 206 206 25701 1 . SER 207 207 25701 1 . GLU 208 208 25701 1 . ASP 209 209 25701 1 . GLU 210 210 25701 1 . PHE 211 211 25701 1 . LEU 212 212 25701 1 . ASP 213 213 25701 1 . TYR 214 214 25701 1 . TRP 215 215 25701 1 . ARG 216 216 25701 1 . ASN 217 217 25701 1 . TYR 218 218 25701 1 . GLU 219 219 25701 1 . ARG 220 220 25701 1 . THR 221 221 25701 1 . SER 222 222 25701 1 . GLN 223 223 25701 1 . LEU 224 224 25701 1 . ARG 225 225 25701 1 . ASN 226 226 25701 1 . ASP 227 227 25701 1 . LYS 228 228 25701 1 . TYR 229 229 25701 1 . ASN 230 230 25701 1 . ASN 231 231 25701 1 . ILE 232 232 25701 1 . SER 233 233 25701 1 . GLU 234 234 25701 1 . TYR 235 235 25701 1 . ARG 236 236 25701 1 . ASN 237 237 25701 1 . TRP 238 238 25701 1 . ILE 239 239 25701 1 . TYR 240 240 25701 1 . ARG 241 241 25701 1 . GLY 242 242 25701 1 . ARG 243 243 25701 1 . LYS 244 244 25701 1 stop_ save_ save_5'-GCAAAGATATCTTTCG-3' _Entity.Sf_category entity _Entity.Sf_framecode 5'-GCAAAGATATCTTTCG-3' _Entity.Entry_ID 25701 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 5'-GCAAAGATATCTTTCG-3' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GCAAAGATATCTTTCG ; _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 16 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9760 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . DG . 25701 2 2 . DC . 25701 2 3 . DA . 25701 2 4 . DA . 25701 2 5 . DA . 25701 2 6 . DG . 25701 2 7 . DA . 25701 2 8 . DT . 25701 2 9 . DA . 25701 2 10 . DT . 25701 2 11 . DC . 25701 2 12 . DT . 25701 2 13 . DT . 25701 2 14 . DT . 25701 2 15 . DC . 25701 2 16 . DG . 25701 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . DG 1 1 25701 2 . DC 2 2 25701 2 . DA 3 3 25701 2 . DA 4 4 25701 2 . DA 5 5 25701 2 . DG 6 6 25701 2 . DA 7 7 25701 2 . DT 8 8 25701 2 . DA 9 9 25701 2 . DT 10 10 25701 2 . DC 11 11 25701 2 . DT 12 12 25701 2 . DT 13 13 25701 2 . DT 14 14 25701 2 . DC 15 15 25701 2 . DG 16 16 25701 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25701 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $EcoRV . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 25701 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 25701 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $EcoRV . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . 'pET 22b+' . . 'Expression optimized gene sequence.' 25701 1 2 2 $5'-GCAAAGATATCTTTCG-3' . 'obtained from a vendor' . . . . . . . . . . . . . . . . 25701 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25701 _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 EcoRV '[ILV-13CH3 ; U-99% 15N; U-99% 2H]' . . 1 $EcoRV . protein 0.5 . . mM . . . . 25701 1 2 5'-GCAAAGATATCTTTCG-3' n/a . . 2 $5'-GCAAAGATATCTTTCG-3' . DNA 0.5 . . mM . . . . 25701 1 3 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 25701 1 4 D2O [U-2H] . . . . . solvent 10 . . % . . . . 25701 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25701 _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 EcoRV '[U-99% 13C; U-99% 15N; U-99% 2H]' . . 1 $EcoRV . protein 1 . . mM . . . . 25701 2 2 5'-GCAAAGATATCTTTCG-3' n/a . . 2 $5'-GCAAAGATATCTTTCG-3' . DNA 0.5 . . mM . . . . 25701 2 3 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 25701 2 4 D2O [U-2H] . . . . . solvent 10 . . % . . . . 25701 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 25701 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; Used 2-keto-3,3-d2-1,2,3,4-13C-butyrate and 2-keto-3-methyl-d3-3-d1-1,2,3,4-13C-butyrate as precursors to achieve {I( 1 only), L(13CH3, 12CD3),V(13CH3,12CD3)} U-[15N,13C,2H] labeling. ; _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 EcoRV '[ILV-13CH3 ; U-99% 15N; U-99% 2H]' . . 1 $EcoRV . protein 0.5 . . mM . . . . 25701 3 2 5'-GCAAAGATATCTTTCG-3' n/a . . 2 $5'-GCAAAGATATCTTTCG-3' . DNA 0.5 . . mM . . . . 25701 3 3 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 25701 3 4 D2O [U-2H] . . . . . solvent 10 . . % . . . . 25701 3 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 25701 _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' 200 . mM 25701 1 pH 7.4 . pH 25701 1 pressure 1 . atm 25701 1 temperature 308 . K 25701 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 25701 _Software.ID 1 _Software.Type . _Software.Name xwinnmr _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25701 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25701 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25701 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25701 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25701 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25701 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25701 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25701 3 stop_ save_ save_Monte _Software.Sf_category software _Software.Sf_framecode Monte _Software.Entry_ID 25701 _Software.ID 4 _Software.Type . _Software.Name Monte _Software.Version 2.03 _Software.DOI . _Software.Details 'Monte Carlo based NMR assignment program' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Rule . rule@andrew.cmu.edu 25701 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25701 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 25701 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25701 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25701 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 25701 _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 . 600 . . . 25701 1 2 spectrometer_2 Bruker Avance . 900 . . . 25701 1 3 spectrometer_3 Bruker Avance . 700 . . . 25701 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 25701 _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 . . . . . . . . . . . . . . . . 25701 1 2 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25701 1 3 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25701 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25701 1 5 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25701 1 6 '3D HNCB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25701 1 7 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25701 1 8 '4D ILV methyl NOE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25701 1 9 ILV-HMCMCG no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25701 1 10 ILV-HMCM[CG]CB no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25701 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 25701 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TMS 'methyl protons' . . . . ppm 0 external indirect 0.251449530 . . . . . 25701 1 H 1 TMS 'methyl protons' . . . . ppm 0 external indirect 1.000000000 . . . . . 25701 1 N 15 TMS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . 25701 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_nometal _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_nometal _Assigned_chem_shift_list.Entry_ID 25701 _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 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' 2 $sample_2 isotropic 25701 1 2 '3D HNCO' 2 $sample_2 isotropic 25701 1 3 '3D HN(CA)CO' 2 $sample_2 isotropic 25701 1 4 '3D HNCA' 2 $sample_2 isotropic 25701 1 5 '3D HN(CO)CA' 2 $sample_2 isotropic 25701 1 6 '3D HNCB' 2 $sample_2 isotropic 25701 1 7 '2D 1H-13C HSQC aliphatic' 1 $sample_1 isotropic 25701 1 8 '4D ILV methyl NOE' 1 $sample_1 isotropic 25701 1 9 ILV-HMCMCG 3 $sample_3 isotropic 25701 1 10 ILV-HMCM[CG]CB 3 $sample_3 isotropic 25701 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $xwinnmr . . 25701 1 2 $TOPSPIN . . 25701 1 3 $NMRPipe . . 25701 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 LEU HD11 H 1 0.431 0.03 . 1 . . . . . 3 LEU MD1 . 25701 1 2 . 1 1 2 2 LEU HD12 H 1 0.431 0.03 . 1 . . . . . 3 LEU MD1 . 25701 1 3 . 1 1 2 2 LEU HD13 H 1 0.431 0.03 . 1 . . . . . 3 LEU MD1 . 25701 1 4 . 1 1 2 2 LEU HD21 H 1 0.327 0.03 . 1 . . . . . 3 LEU MD2 . 25701 1 5 . 1 1 2 2 LEU HD22 H 1 0.327 0.03 . 1 . . . . . 3 LEU MD2 . 25701 1 6 . 1 1 2 2 LEU HD23 H 1 0.327 0.03 . 1 . . . . . 3 LEU MD2 . 25701 1 7 . 1 1 2 2 LEU CD1 C 13 21.128 0.2 . 1 . . . . . 3 LEU CD1 . 25701 1 8 . 1 1 2 2 LEU CD2 C 13 22.591 0.2 . 1 . . . . . 3 LEU CD2 . 25701 1 9 . 1 1 3 3 ARG H H 1 8.11 0.03 . 1 . . . . . 4 ARG H . 25701 1 10 . 1 1 3 3 ARG C C 13 174.89 0.2 . 1 . . . . . 4 ARG C . 25701 1 11 . 1 1 3 3 ARG CA C 13 56.65 0.2 . 1 . . . . . 4 ARG CA . 25701 1 12 . 1 1 3 3 ARG CB C 13 26.97 0.2 . 1 . . . . . 4 ARG CB . 25701 1 13 . 1 1 3 3 ARG N N 15 117.3 0.2 . 1 . . . . . 4 ARG N . 25701 1 14 . 1 1 5 5 ASP H H 1 8.31 0.03 . 1 . . . . . 6 ASP H . 25701 1 15 . 1 1 5 5 ASP C C 13 176.73 0.2 . 1 . . . . . 6 ASP C . 25701 1 16 . 1 1 5 5 ASP CA C 13 53.88 0.2 . 1 . . . . . 6 ASP CA . 25701 1 17 . 1 1 5 5 ASP CB C 13 37.04 0.2 . 1 . . . . . 6 ASP CB . 25701 1 18 . 1 1 5 5 ASP N N 15 123.76 0.2 . 1 . . . . . 6 ASP N . 25701 1 19 . 1 1 6 6 LEU H H 1 8.25 0.03 . 1 . . . . . 7 LEU H . 25701 1 20 . 1 1 6 6 LEU HD11 H 1 0.789 0.03 . 1 . . . . . 7 LEU MD1 . 25701 1 21 . 1 1 6 6 LEU HD12 H 1 0.789 0.03 . 1 . . . . . 7 LEU MD1 . 25701 1 22 . 1 1 6 6 LEU HD13 H 1 0.789 0.03 . 1 . . . . . 7 LEU MD1 . 25701 1 23 . 1 1 6 6 LEU HD21 H 1 0.793 0.03 . 1 . . . . . 7 LEU MD2 . 25701 1 24 . 1 1 6 6 LEU HD22 H 1 0.793 0.03 . 1 . . . . . 7 LEU MD2 . 25701 1 25 . 1 1 6 6 LEU HD23 H 1 0.793 0.03 . 1 . . . . . 7 LEU MD2 . 25701 1 26 . 1 1 6 6 LEU C C 13 174.88 0.2 . 1 . . . . . 7 LEU C . 25701 1 27 . 1 1 6 6 LEU CA C 13 55.195 0.2 . 1 . . . . . 7 LEU CA . 25701 1 28 . 1 1 6 6 LEU CB C 13 37.83 0.2 . 1 . . . . . 7 LEU CB . 25701 1 29 . 1 1 6 6 LEU CD1 C 13 21.844 0.2 . 1 . . . . . 7 LEU CD1 . 25701 1 30 . 1 1 6 6 LEU CD2 C 13 23.331 0.2 . 1 . . . . . 7 LEU CD2 . 25701 1 31 . 1 1 6 6 LEU N N 15 123.84 0.2 . 1 . . . . . 7 LEU N . 25701 1 32 . 1 1 7 7 ILE H H 1 7.87 0.03 . 1 . . . . . 8 ILE H . 25701 1 33 . 1 1 7 7 ILE HD11 H 1 0.686 0.03 . 1 . . . . . 8 ILE MD . 25701 1 34 . 1 1 7 7 ILE HD12 H 1 0.686 0.03 . 1 . . . . . 8 ILE MD . 25701 1 35 . 1 1 7 7 ILE HD13 H 1 0.686 0.03 . 1 . . . . . 8 ILE MD . 25701 1 36 . 1 1 7 7 ILE C C 13 174.41 0.2 . 1 . . . . . 8 ILE C . 25701 1 37 . 1 1 7 7 ILE CA C 13 46.955 0.2 . 1 . . . . . 8 ILE CA . 25701 1 38 . 1 1 7 7 ILE CB C 13 34.3 0.2 . 1 . . . . . 8 ILE CB . 25701 1 39 . 1 1 7 7 ILE CD1 C 13 11.084 0.2 . 1 . . . . . 8 ILE CD1 . 25701 1 40 . 1 1 7 7 ILE N N 15 119.39 0.2 . 1 . . . . . 8 ILE N . 25701 1 41 . 1 1 8 8 ASN H H 1 7.83 0.03 . 1 . . . . . 9 ASN H . 25701 1 42 . 1 1 8 8 ASN C C 13 175.32 0.2 . 1 . . . . . 9 ASN C . 25701 1 43 . 1 1 8 8 ASN CA C 13 53.135 0.2 . 1 . . . . . 9 ASN CA . 25701 1 44 . 1 1 8 8 ASN CB C 13 35 0.2 . 1 . . . . . 9 ASN CB . 25701 1 45 . 1 1 8 8 ASN N N 15 115.99 0.2 . 1 . . . . . 9 ASN N . 25701 1 46 . 1 1 9 9 ALA H H 1 7.72 0.03 . 1 . . . . . 10 ALA H . 25701 1 47 . 1 1 9 9 ALA C C 13 177.48 0.2 . 1 . . . . . 10 ALA C . 25701 1 48 . 1 1 9 9 ALA CA C 13 51.525 0.2 . 1 . . . . . 10 ALA CA . 25701 1 49 . 1 1 9 9 ALA CB C 13 15.69 0.2 . 1 . . . . . 10 ALA CB . 25701 1 50 . 1 1 9 9 ALA N N 15 121.76 0.2 . 1 . . . . . 10 ALA N . 25701 1 51 . 1 1 10 10 LEU H H 1 8.15 0.03 . 1 . . . . . 11 LEU H . 25701 1 52 . 1 1 10 10 LEU CA C 13 54.10 0.2 . 1 . . . . . 11 LEU CA . 25701 1 53 . 1 1 10 10 LEU CB C 13 38.01 0.2 . 1 . . . . . 11 LEU CB . 25701 1 54 . 1 1 10 10 LEU N N 15 119.2 0.2 . 1 . . . . . 11 LEU N . 25701 1 55 . 1 1 23 23 ILE HD11 H 1 0.733 0.03 . 1 . . . . . 24 ILE MD . 25701 1 56 . 1 1 23 23 ILE HD12 H 1 0.733 0.03 . 1 . . . . . 24 ILE MD . 25701 1 57 . 1 1 23 23 ILE HD13 H 1 0.733 0.03 . 1 . . . . . 24 ILE MD . 25701 1 58 . 1 1 23 23 ILE CD1 C 13 12.443 0.2 . 1 . . . . . 24 ILE CD1 . 25701 1 59 . 1 1 29 29 ILE HD11 H 1 0.627 0.03 . 1 . . . . . 30 ILE MD . 25701 1 60 . 1 1 29 29 ILE HD12 H 1 0.627 0.03 . 1 . . . . . 30 ILE MD . 25701 1 61 . 1 1 29 29 ILE HD13 H 1 0.627 0.03 . 1 . . . . . 30 ILE MD . 25701 1 62 . 1 1 29 29 ILE CD1 C 13 12.013 0.2 . 1 . . . . . 30 ILE CD1 . 25701 1 63 . 1 1 42 42 ILE HD11 H 1 0.509 0.03 . 1 . . . . . 43 ILE MD . 25701 1 64 . 1 1 42 42 ILE HD12 H 1 0.509 0.03 . 1 . . . . . 43 ILE MD . 25701 1 65 . 1 1 42 42 ILE HD13 H 1 0.509 0.03 . 1 . . . . . 43 ILE MD . 25701 1 66 . 1 1 42 42 ILE CD1 C 13 10.811 0.2 . 1 . . . . . 43 ILE CD1 . 25701 1 67 . 1 1 51 51 ILE HD11 H 1 0.032 0.03 . 1 . . . . . 52 ILE MD . 25701 1 68 . 1 1 51 51 ILE HD12 H 1 0.032 0.03 . 1 . . . . . 52 ILE MD . 25701 1 69 . 1 1 51 51 ILE HD13 H 1 0.032 0.03 . 1 . . . . . 52 ILE MD . 25701 1 70 . 1 1 51 51 ILE CD1 C 13 11.222 0.2 . 1 . . . . . 52 ILE CD1 . 25701 1 71 . 1 1 54 54 ILE HD11 H 1 0.738 0.03 . 1 . . . . . 55 ILE MD . 25701 1 72 . 1 1 54 54 ILE HD12 H 1 0.738 0.03 . 1 . . . . . 55 ILE MD . 25701 1 73 . 1 1 54 54 ILE HD13 H 1 0.738 0.03 . 1 . . . . . 55 ILE MD . 25701 1 74 . 1 1 54 54 ILE CD1 C 13 6.435 0.2 . 1 . . . . . 55 ILE CD1 . 25701 1 75 . 1 1 55 55 ALA H H 1 8.66 0.03 . 1 . . . . . 56 ALA H . 25701 1 76 . 1 1 55 55 ALA C C 13 177.89 0.2 . 1 . . . . . 56 ALA C . 25701 1 77 . 1 1 55 55 ALA CA C 13 53.185 0.2 . 1 . . . . . 56 ALA CA . 25701 1 78 . 1 1 55 55 ALA CB C 13 15.3 0.2 . 1 . . . . . 56 ALA CB . 25701 1 79 . 1 1 55 55 ALA N N 15 122.62 0.2 . 1 . . . . . 56 ALA N . 25701 1 80 . 1 1 56 56 GLU H H 1 8.06 0.03 . 1 . . . . . 57 GLU H . 25701 1 81 . 1 1 56 56 GLU CA C 13 56.525 0.2 . 1 . . . . . 57 GLU CA . 25701 1 82 . 1 1 56 56 GLU CB C 13 26.11 0.2 . 1 . . . . . 57 GLU CB . 25701 1 83 . 1 1 56 56 GLU N N 15 117.8 0.2 . 1 . . . . . 57 GLU N . 25701 1 84 . 1 1 57 57 LYS H H 1 7.4 0.03 . 1 . . . . . 58 LYS H . 25701 1 85 . 1 1 57 57 LYS C C 13 175.01 0.2 . 1 . . . . . 58 LYS C . 25701 1 86 . 1 1 57 57 LYS CA C 13 56.055 0.2 . 1 . . . . . 58 LYS CA . 25701 1 87 . 1 1 57 57 LYS CB C 13 28.93 0.2 . 1 . . . . . 58 LYS CB . 25701 1 88 . 1 1 57 57 LYS N N 15 120.82 0.2 . 1 . . . . . 58 LYS N . 25701 1 89 . 1 1 58 58 HIS H H 1 7.41 0.03 . 1 . . . . . 59 HIS H . 25701 1 90 . 1 1 58 58 HIS CA C 13 54.2 0.2 . 1 . . . . . 59 HIS CA . 25701 1 91 . 1 1 58 58 HIS CB C 13 30.29 0.2 . 1 . . . . . 59 HIS CB . 25701 1 92 . 1 1 58 58 HIS N N 15 115.58 0.2 . 1 . . . . . 59 HIS N . 25701 1 93 . 1 1 59 59 GLY H H 1 7.87 0.03 . 1 . . . . . 60 GLY H . 25701 1 94 . 1 1 59 59 GLY C C 13 171.98 0.2 . 1 . . . . . 60 GLY C . 25701 1 95 . 1 1 59 59 GLY CA C 13 43.305 0.2 . 1 . . . . . 60 GLY CA . 25701 1 96 . 1 1 59 59 GLY N N 15 109.13 0.2 . 1 . . . . . 60 GLY N . 25701 1 97 . 1 1 60 60 TYR H H 1 8.37 0.03 . 1 . . . . . 61 TYR H . 25701 1 98 . 1 1 60 60 TYR C C 13 172.91 0.2 . 1 . . . . . 61 TYR C . 25701 1 99 . 1 1 60 60 TYR CA C 13 55.045 0.2 . 1 . . . . . 61 TYR CA . 25701 1 100 . 1 1 60 60 TYR CB C 13 36.4 0.2 . 1 . . . . . 61 TYR CB . 25701 1 101 . 1 1 60 60 TYR N N 15 119.54 0.2 . 1 . . . . . 61 TYR N . 25701 1 102 . 1 1 61 61 ILE H H 1 8.72 0.03 . 1 . . . . . 62 ILE H . 25701 1 103 . 1 1 61 61 ILE HD11 H 1 0.669 0.03 . 1 . . . . . 62 ILE MD . 25701 1 104 . 1 1 61 61 ILE HD12 H 1 0.669 0.03 . 1 . . . . . 62 ILE MD . 25701 1 105 . 1 1 61 61 ILE HD13 H 1 0.669 0.03 . 1 . . . . . 62 ILE MD . 25701 1 106 . 1 1 61 61 ILE C C 13 171.97 0.2 . 1 . . . . . 62 ILE C . 25701 1 107 . 1 1 61 61 ILE CA C 13 57.11 0.2 . 1 . . . . . 62 ILE CA . 25701 1 108 . 1 1 61 61 ILE CB C 13 35.28 0.2 . 1 . . . . . 62 ILE CB . 25701 1 109 . 1 1 61 61 ILE CD1 C 13 10.084 0.2 . 1 . . . . . 62 ILE CD1 . 25701 1 110 . 1 1 61 61 ILE N N 15 122.14 0.2 . 1 . . . . . 62 ILE N . 25701 1 111 . 1 1 62 62 VAL H H 1 8.02 0.03 . 1 . . . . . 63 VAL H . 25701 1 112 . 1 1 62 62 VAL HG11 H 1 1.139 0.03 . 1 . . . . . 63 VAL MG1 . 25701 1 113 . 1 1 62 62 VAL HG12 H 1 1.139 0.03 . 1 . . . . . 63 VAL MG1 . 25701 1 114 . 1 1 62 62 VAL HG13 H 1 1.139 0.03 . 1 . . . . . 63 VAL MG1 . 25701 1 115 . 1 1 62 62 VAL HG21 H 1 0.815 0.03 . 1 . . . . . 63 VAL MG2 . 25701 1 116 . 1 1 62 62 VAL HG22 H 1 0.815 0.03 . 1 . . . . . 63 VAL MG2 . 25701 1 117 . 1 1 62 62 VAL HG23 H 1 0.815 0.03 . 1 . . . . . 63 VAL MG2 . 25701 1 118 . 1 1 62 62 VAL C C 13 173.91 0.2 . 1 . . . . . 63 VAL C . 25701 1 119 . 1 1 62 62 VAL CA C 13 57.825 0.2 . 1 . . . . . 63 VAL CA . 25701 1 120 . 1 1 62 62 VAL CB C 13 30.2 0.2 . 1 . . . . . 63 VAL CB . 25701 1 121 . 1 1 62 62 VAL CG1 C 13 19.987 0.2 . 1 . . . . . 63 VAL CG1 . 25701 1 122 . 1 1 62 62 VAL CG2 C 13 19.631 0.2 . 1 . . . . . 63 VAL CG2 . 25701 1 123 . 1 1 62 62 VAL N N 15 122.32 0.2 . 1 . . . . . 63 VAL N . 25701 1 124 . 1 1 63 63 GLU H H 1 9.88 0.03 . 1 . . . . . 64 GLU H . 25701 1 125 . 1 1 63 63 GLU C C 13 173.28 0.2 . 1 . . . . . 64 GLU C . 25701 1 126 . 1 1 63 63 GLU CA C 13 51.92 0.2 . 1 . . . . . 64 GLU CA . 25701 1 127 . 1 1 63 63 GLU CB C 13 30.63 0.2 . 1 . . . . . 64 GLU CB . 25701 1 128 . 1 1 63 63 GLU N N 15 128.55 0.2 . 1 . . . . . 64 GLU N . 25701 1 129 . 1 1 64 64 GLU H H 1 8.93 0.03 . 1 . . . . . 65 GLU H . 25701 1 130 . 1 1 64 64 GLU C C 13 170.7 0.2 . 1 . . . . . 65 GLU C . 25701 1 131 . 1 1 64 64 GLU CA C 13 51.145 0.2 . 1 . . . . . 65 GLU CA . 25701 1 132 . 1 1 64 64 GLU CB C 13 26.39 0.2 . 1 . . . . . 65 GLU CB . 25701 1 133 . 1 1 64 64 GLU N N 15 128.22 0.2 . 1 . . . . . 65 GLU N . 25701 1 134 . 1 1 75 75 THR H H 1 9 0.03 . 1 . . . . . 76 THR H . 25701 1 135 . 1 1 75 75 THR CA C 13 59.955 0.2 . 1 . . . . . 76 THR CA . 25701 1 136 . 1 1 75 75 THR CB C 13 39.18 0.2 . 1 . . . . . 76 THR CB . 25701 1 137 . 1 1 75 75 THR N N 15 120.63 0.2 . 1 . . . . . 76 THR N . 25701 1 138 . 1 1 76 76 LEU H H 1 9.83 0.03 . 1 . . . . . 77 LEU H . 25701 1 139 . 1 1 76 76 LEU HD11 H 1 0.725 0.03 . 1 . . . . . 77 LEU MD1 . 25701 1 140 . 1 1 76 76 LEU HD12 H 1 0.725 0.03 . 1 . . . . . 77 LEU MD1 . 25701 1 141 . 1 1 76 76 LEU HD13 H 1 0.725 0.03 . 1 . . . . . 77 LEU MD1 . 25701 1 142 . 1 1 76 76 LEU HD21 H 1 0.506 0.03 . 1 . . . . . 77 LEU MD2 . 25701 1 143 . 1 1 76 76 LEU HD22 H 1 0.506 0.03 . 1 . . . . . 77 LEU MD2 . 25701 1 144 . 1 1 76 76 LEU HD23 H 1 0.506 0.03 . 1 . . . . . 77 LEU MD2 . 25701 1 145 . 1 1 76 76 LEU CA C 13 53.65 0.2 . 1 . . . . . 77 LEU CA . 25701 1 146 . 1 1 76 76 LEU CB C 13 41.12 0.2 . 1 . . . . . 77 LEU CB . 25701 1 147 . 1 1 76 76 LEU CD1 C 13 21.618 0.2 . 1 . . . . . 77 LEU CD1 . 25701 1 148 . 1 1 76 76 LEU CD2 C 13 24.018 0.2 . 1 . . . . . 77 LEU CD2 . 25701 1 149 . 1 1 76 76 LEU N N 15 130.03 0.2 . 1 . . . . . 77 LEU N . 25701 1 150 . 1 1 77 77 TYR H H 1 8.44 0.03 . 1 . . . . . 78 TYR H . 25701 1 151 . 1 1 77 77 TYR C C 13 170.05 0.2 . 1 . . . . . 78 TYR C . 25701 1 152 . 1 1 77 77 TYR CA C 13 53.985 0.2 . 1 . . . . . 78 TYR CA . 25701 1 153 . 1 1 77 77 TYR CB C 13 36.31 0.2 . 1 . . . . . 78 TYR CB . 25701 1 154 . 1 1 77 77 TYR N N 15 115.15 0.2 . 1 . . . . . 78 TYR N . 25701 1 155 . 1 1 78 78 LYS H H 1 9.26 0.03 . 1 . . . . . 79 LYS H . 25701 1 156 . 1 1 78 78 LYS C C 13 174.43 0.2 . 1 . . . . . 79 LYS C . 25701 1 157 . 1 1 78 78 LYS CA C 13 50.27 0.2 . 1 . . . . . 79 LYS CA . 25701 1 158 . 1 1 78 78 LYS CB C 13 29.02 0.2 . 1 . . . . . 79 LYS CB . 25701 1 159 . 1 1 78 78 LYS N N 15 123.37 0.2 . 1 . . . . . 79 LYS N . 25701 1 160 . 1 1 83 83 ASN H H 1 8.31 0.03 . 1 . . . . . 84 ASN H . 25701 1 161 . 1 1 83 83 ASN CA C 13 49.97 0.2 . 1 . . . . . 84 ASN CA . 25701 1 162 . 1 1 83 83 ASN CB C 13 34.3 0.2 . 1 . . . . . 84 ASN CB . 25701 1 163 . 1 1 83 83 ASN N N 15 116.08 0.2 . 1 . . . . . 84 ASN N . 25701 1 164 . 1 1 84 84 LYS H H 1 7 0.03 . 1 . . . . . 85 LYS H . 25701 1 165 . 1 1 84 84 LYS C C 13 173.22 0.2 . 1 . . . . . 85 LYS C . 25701 1 166 . 1 1 84 84 LYS CA C 13 51.375 0.2 . 1 . . . . . 85 LYS CA . 25701 1 167 . 1 1 84 84 LYS CB C 13 28.9 0.2 . 1 . . . . . 85 LYS CB . 25701 1 168 . 1 1 84 84 LYS N N 15 119.98 0.2 . 1 . . . . . 85 LYS N . 25701 1 169 . 1 1 85 85 LYS H H 1 8.39 0.03 . 1 . . . . . 86 LYS H . 25701 1 170 . 1 1 85 85 LYS C C 13 172.55 0.2 . 1 . . . . . 86 LYS C . 25701 1 171 . 1 1 85 85 LYS CA C 13 53.625 0.2 . 1 . . . . . 86 LYS CA . 25701 1 172 . 1 1 85 85 LYS CB C 13 31.17 0.2 . 1 . . . . . 86 LYS CB . 25701 1 173 . 1 1 85 85 LYS N N 15 121.44 0.2 . 1 . . . . . 86 LYS N . 25701 1 174 . 1 1 86 86 ILE H H 1 9.29 0.03 . 1 . . . . . 87 ILE H . 25701 1 175 . 1 1 86 86 ILE HD11 H 1 0.397 0.03 . 1 . . . . . 87 ILE MD . 25701 1 176 . 1 1 86 86 ILE HD12 H 1 0.397 0.03 . 1 . . . . . 87 ILE MD . 25701 1 177 . 1 1 86 86 ILE HD13 H 1 0.397 0.03 . 1 . . . . . 87 ILE MD . 25701 1 178 . 1 1 86 86 ILE C C 13 171.83 0.2 . 1 . . . . . 87 ILE C . 25701 1 179 . 1 1 86 86 ILE CA C 13 57.52 0.2 . 1 . . . . . 87 ILE CA . 25701 1 180 . 1 1 86 86 ILE CB C 13 37.56 0.2 . 1 . . . . . 87 ILE CB . 25701 1 181 . 1 1 86 86 ILE CD1 C 13 11.022 0.2 . 1 . . . . . 87 ILE CD1 . 25701 1 182 . 1 1 86 86 ILE N N 15 122.8 0.2 . 1 . . . . . 87 ILE N . 25701 1 183 . 1 1 87 87 ALA H H 1 8.12 0.03 . 1 . . . . . 88 ALA H . 25701 1 184 . 1 1 87 87 ALA C C 13 173.23 0.2 . 1 . . . . . 88 ALA C . 25701 1 185 . 1 1 87 87 ALA CA C 13 47.14 0.2 . 1 . . . . . 88 ALA CA . 25701 1 186 . 1 1 87 87 ALA CB C 13 18.11 0.2 . 1 . . . . . 88 ALA CB . 25701 1 187 . 1 1 87 87 ALA N N 15 131.23 0.2 . 1 . . . . . 88 ALA N . 25701 1 188 . 1 1 88 88 ILE H H 1 9.25 0.03 . 1 . . . . . 89 ILE H . 25701 1 189 . 1 1 88 88 ILE C C 13 170.8 0.2 . 1 . . . . . 89 ILE C . 25701 1 190 . 1 1 88 88 ILE CA C 13 57.815 0.2 . 1 . . . . . 89 ILE CA . 25701 1 191 . 1 1 88 88 ILE CB C 13 37.19 0.2 . 1 . . . . . 89 ILE CB . 25701 1 192 . 1 1 88 88 ILE N N 15 121.07 0.2 . 1 . . . . . 89 ILE N . 25701 1 193 . 1 1 89 89 ASP H H 1 8.94 0.03 . 1 . . . . . 90 ASP H . 25701 1 194 . 1 1 89 89 ASP C C 13 172.16 0.2 . 1 . . . . . 90 ASP C . 25701 1 195 . 1 1 89 89 ASP CA C 13 49.6 0.2 . 1 . . . . . 90 ASP CA . 25701 1 196 . 1 1 89 89 ASP CB C 13 43.74 0.2 . 1 . . . . . 90 ASP CB . 25701 1 197 . 1 1 89 89 ASP N N 15 131.26 0.2 . 1 . . . . . 90 ASP N . 25701 1 198 . 1 1 90 90 ILE HD11 H 1 1.141 0.03 . 1 . . . . . 91 ILE MD . 25701 1 199 . 1 1 90 90 ILE HD12 H 1 1.141 0.03 . 1 . . . . . 91 ILE MD . 25701 1 200 . 1 1 90 90 ILE HD13 H 1 1.141 0.03 . 1 . . . . . 91 ILE MD . 25701 1 201 . 1 1 90 90 ILE CD1 C 13 8.925 0.2 . 1 . . . . . 91 ILE CD1 . 25701 1 202 . 1 1 101 101 LYS H H 1 8.21 0.03 . 1 . . . . . 102 LYS H . 25701 1 203 . 1 1 101 101 LYS CA C 13 54.52 0.2 . 1 . . . . . 102 LYS CA . 25701 1 204 . 1 1 101 101 LYS CB C 13 29.22 0.2 . 1 . . . . . 102 LYS CB . 25701 1 205 . 1 1 101 101 LYS N N 15 121.31 0.2 . 1 . . . . . 102 LYS N . 25701 1 206 . 1 1 102 102 ILE H H 1 8.73 0.03 . 1 . . . . . 103 ILE H . 25701 1 207 . 1 1 102 102 ILE HD11 H 1 0.628 0.03 . 1 . . . . . 103 ILE MD . 25701 1 208 . 1 1 102 102 ILE HD12 H 1 0.628 0.03 . 1 . . . . . 103 ILE MD . 25701 1 209 . 1 1 102 102 ILE HD13 H 1 0.628 0.03 . 1 . . . . . 103 ILE MD . 25701 1 210 . 1 1 102 102 ILE C C 13 170.94 0.2 . 1 . . . . . 103 ILE C . 25701 1 211 . 1 1 102 102 ILE CA C 13 56.895 0.2 . 1 . . . . . 103 ILE CA . 25701 1 212 . 1 1 102 102 ILE CB C 13 38.29 0.2 . 1 . . . . . 103 ILE CB . 25701 1 213 . 1 1 102 102 ILE CD1 C 13 11.07 0.2 . 1 . . . . . 103 ILE CD1 . 25701 1 214 . 1 1 102 102 ILE N N 15 117.6 0.2 . 1 . . . . . 103 ILE N . 25701 1 215 . 1 1 106 106 LEU HD11 H 1 0.762 0.03 . 1 . . . . . 107 LEU MD1 . 25701 1 216 . 1 1 106 106 LEU HD12 H 1 0.762 0.03 . 1 . . . . . 107 LEU MD1 . 25701 1 217 . 1 1 106 106 LEU HD13 H 1 0.762 0.03 . 1 . . . . . 107 LEU MD1 . 25701 1 218 . 1 1 106 106 LEU HD21 H 1 0.801 0.03 . 1 . . . . . 107 LEU MD2 . 25701 1 219 . 1 1 106 106 LEU HD22 H 1 0.801 0.03 . 1 . . . . . 107 LEU MD2 . 25701 1 220 . 1 1 106 106 LEU HD23 H 1 0.801 0.03 . 1 . . . . . 107 LEU MD2 . 25701 1 221 . 1 1 106 106 LEU CD1 C 13 23.673 0.2 . 1 . . . . . 107 LEU CD1 . 25701 1 222 . 1 1 106 106 LEU CD2 C 13 20.525 0.2 . 1 . . . . . 107 LEU CD2 . 25701 1 223 . 1 1 113 113 ILE HD11 H 1 0.615 0.03 . 1 . . . . . 114 ILE MD . 25701 1 224 . 1 1 113 113 ILE HD12 H 1 0.615 0.03 . 1 . . . . . 114 ILE MD . 25701 1 225 . 1 1 113 113 ILE HD13 H 1 0.615 0.03 . 1 . . . . . 114 ILE MD . 25701 1 226 . 1 1 113 113 ILE CD1 C 13 10.119 0.2 . 1 . . . . . 114 ILE CD1 . 25701 1 227 . 1 1 121 121 VAL HG11 H 1 0.825 0.03 . 1 . . . . . 122 VAL MG1 . 25701 1 228 . 1 1 121 121 VAL HG12 H 1 0.825 0.03 . 1 . . . . . 122 VAL MG1 . 25701 1 229 . 1 1 121 121 VAL HG13 H 1 0.825 0.03 . 1 . . . . . 122 VAL MG1 . 25701 1 230 . 1 1 121 121 VAL HG21 H 1 1.298 0.03 . 1 . . . . . 122 VAL MG2 . 25701 1 231 . 1 1 121 121 VAL HG22 H 1 1.298 0.03 . 1 . . . . . 122 VAL MG2 . 25701 1 232 . 1 1 121 121 VAL HG23 H 1 1.298 0.03 . 1 . . . . . 122 VAL MG2 . 25701 1 233 . 1 1 121 121 VAL CG1 C 13 18.874 0.2 . 1 . . . . . 122 VAL CG1 . 25701 1 234 . 1 1 121 121 VAL CG2 C 13 20.381 0.2 . 1 . . . . . 122 VAL CG2 . 25701 1 235 . 1 1 125 125 ASP H H 1 8.01 0.03 . 1 . . . . . 126 ASP H . 25701 1 236 . 1 1 125 125 ASP CA C 13 52.01 0.2 . 1 . . . . . 126 ASP CA . 25701 1 237 . 1 1 125 125 ASP CB C 13 31.39 0.2 . 1 . . . . . 126 ASP CB . 25701 1 238 . 1 1 125 125 ASP N N 15 119.02 0.2 . 1 . . . . . 126 ASP N . 25701 1 239 . 1 1 126 126 GLN H H 1 8.36 0.03 . 1 . . . . . 127 GLN H . 25701 1 240 . 1 1 126 126 GLN CA C 13 53.585 0.2 . 1 . . . . . 127 GLN CA . 25701 1 241 . 1 1 126 126 GLN CB C 13 24.29 0.2 . 1 . . . . . 127 GLN CB . 25701 1 242 . 1 1 126 126 GLN N N 15 119.41 0.2 . 1 . . . . . 127 GLN N . 25701 1 243 . 1 1 127 127 TYR H H 1 7.6 0.03 . 1 . . . . . 128 TYR H . 25701 1 244 . 1 1 127 127 TYR C C 13 175.09 0.2 . 1 . . . . . 128 TYR C . 25701 1 245 . 1 1 127 127 TYR CA C 13 53.725 0.2 . 1 . . . . . 128 TYR CA . 25701 1 246 . 1 1 127 127 TYR CB C 13 36.34 0.2 . 1 . . . . . 128 TYR CB . 25701 1 247 . 1 1 127 127 TYR N N 15 115.74 0.2 . 1 . . . . . 128 TYR N . 25701 1 248 . 1 1 128 128 ILE H H 1 9.48 0.03 . 1 . . . . . 129 ILE H . 25701 1 249 . 1 1 128 128 ILE HD11 H 1 0.875 0.03 . 1 . . . . . 129 ILE MD . 25701 1 250 . 1 1 128 128 ILE HD12 H 1 0.875 0.03 . 1 . . . . . 129 ILE MD . 25701 1 251 . 1 1 128 128 ILE HD13 H 1 0.875 0.03 . 1 . . . . . 129 ILE MD . 25701 1 252 . 1 1 128 128 ILE CA C 13 56.735 0.2 . 1 . . . . . 129 ILE CA . 25701 1 253 . 1 1 128 128 ILE CB C 13 36.29 0.2 . 1 . . . . . 129 ILE CB . 25701 1 254 . 1 1 128 128 ILE CD1 C 13 11.794 0.2 . 1 . . . . . 129 ILE CD1 . 25701 1 255 . 1 1 128 128 ILE N N 15 117.58 0.2 . 1 . . . . . 129 ILE N . 25701 1 256 . 1 1 129 129 ALA H H 1 7.17 0.03 . 1 . . . . . 130 ALA H . 25701 1 257 . 1 1 129 129 ALA C C 13 171.72 0.2 . 1 . . . . . 130 ALA C . 25701 1 258 . 1 1 129 129 ALA CA C 13 49.0 0.2 . 1 . . . . . 130 ALA CA . 25701 1 259 . 1 1 129 129 ALA CB C 13 18.7 0.2 . 1 . . . . . 130 ALA CB . 25701 1 260 . 1 1 129 129 ALA N N 15 123.3 0.2 . 1 . . . . . 130 ALA N . 25701 1 261 . 1 1 130 130 HIS H H 1 9.32 0.03 . 1 . . . . . 131 HIS H . 25701 1 262 . 1 1 130 130 HIS C C 13 171.28 0.2 . 1 . . . . . 131 HIS C . 25701 1 263 . 1 1 130 130 HIS CA C 13 52.495 0.2 . 1 . . . . . 131 HIS CA . 25701 1 264 . 1 1 130 130 HIS CB C 13 28.67 0.2 . 1 . . . . . 131 HIS CB . 25701 1 265 . 1 1 130 130 HIS N N 15 121.68 0.2 . 1 . . . . . 131 HIS N . 25701 1 266 . 1 1 131 131 TRP H H 1 9.8 0.03 . 1 . . . . . 132 TRP H . 25701 1 267 . 1 1 131 131 TRP C C 13 172.43 0.2 . 1 . . . . . 132 TRP C . 25701 1 268 . 1 1 131 131 TRP CA C 13 50.075 0.2 . 1 . . . . . 132 TRP CA . 25701 1 269 . 1 1 131 131 TRP CB C 13 28.49 0.2 . 1 . . . . . 132 TRP CB . 25701 1 270 . 1 1 131 131 TRP N N 15 127.2 0.2 . 1 . . . . . 132 TRP N . 25701 1 271 . 1 1 132 132 ILE H H 1 9.35 0.03 . 1 . . . . . 133 ILE H . 25701 1 272 . 1 1 132 132 ILE HD11 H 1 0.954 0.03 . 1 . . . . . 133 ILE MD . 25701 1 273 . 1 1 132 132 ILE HD12 H 1 0.954 0.03 . 1 . . . . . 133 ILE MD . 25701 1 274 . 1 1 132 132 ILE HD13 H 1 0.954 0.03 . 1 . . . . . 133 ILE MD . 25701 1 275 . 1 1 132 132 ILE C C 13 173.65 0.2 . 1 . . . . . 133 ILE C . 25701 1 276 . 1 1 132 132 ILE CA C 13 53.675 0.2 . 1 . . . . . 133 ILE CA . 25701 1 277 . 1 1 132 132 ILE CB C 13 35.3 0.2 . 1 . . . . . 133 ILE CB . 25701 1 278 . 1 1 132 132 ILE CD1 C 13 8.598 0.2 . 1 . . . . . 133 ILE CD1 . 25701 1 279 . 1 1 132 132 ILE N N 15 124.14 0.2 . 1 . . . . . 133 ILE N . 25701 1 280 . 1 1 133 133 ILE H H 1 8.41 0.03 . 1 . . . . . 134 ILE H . 25701 1 281 . 1 1 133 133 ILE HD11 H 1 0.779 0.03 . 1 . . . . . 134 ILE MD . 25701 1 282 . 1 1 133 133 ILE HD12 H 1 0.779 0.03 . 1 . . . . . 134 ILE MD . 25701 1 283 . 1 1 133 133 ILE HD13 H 1 0.779 0.03 . 1 . . . . . 134 ILE MD . 25701 1 284 . 1 1 133 133 ILE CA C 13 57.475 0.2 . 1 . . . . . 134 ILE CA . 25701 1 285 . 1 1 133 133 ILE CB C 13 34.09 0.2 . 1 . . . . . 134 ILE CB . 25701 1 286 . 1 1 133 133 ILE CD1 C 13 11.655 0.2 . 1 . . . . . 134 ILE CD1 . 25701 1 287 . 1 1 133 133 ILE N N 15 127.16 0.2 . 1 . . . . . 134 ILE N . 25701 1 288 . 1 1 134 134 GLY H H 1 7.27 0.03 . 1 . . . . . 135 GLY H . 25701 1 289 . 1 1 134 134 GLY C C 13 168.23 0.2 . 1 . . . . . 135 GLY C . 25701 1 290 . 1 1 134 134 GLY CA C 13 37.77 0.2 . 1 . . . . . 135 GLY CA . 25701 1 291 . 1 1 134 134 GLY N N 15 113.96 0.2 . 1 . . . . . 135 GLY N . 25701 1 292 . 1 1 135 135 TYR H H 1 8.76 0.03 . 1 . . . . . 136 TYR H . 25701 1 293 . 1 1 135 135 TYR CA C 13 53.445 0.2 . 1 . . . . . 136 TYR CA . 25701 1 294 . 1 1 135 135 TYR CB C 13 37.77 0.2 . 1 . . . . . 136 TYR CB . 25701 1 295 . 1 1 135 135 TYR N N 15 120.56 0.2 . 1 . . . . . 136 TYR N . 25701 1 296 . 1 1 136 136 VAL H H 1 8.59 0.03 . 1 . . . . . 137 VAL H . 25701 1 297 . 1 1 136 136 VAL HG11 H 1 0.801 0.03 . 1 . . . . . 137 VAL MG1 . 25701 1 298 . 1 1 136 136 VAL HG12 H 1 0.801 0.03 . 1 . . . . . 137 VAL MG1 . 25701 1 299 . 1 1 136 136 VAL HG13 H 1 0.801 0.03 . 1 . . . . . 137 VAL MG1 . 25701 1 300 . 1 1 136 136 VAL HG21 H 1 0.856 0.03 . 1 . . . . . 137 VAL MG2 . 25701 1 301 . 1 1 136 136 VAL HG22 H 1 0.856 0.03 . 1 . . . . . 137 VAL MG2 . 25701 1 302 . 1 1 136 136 VAL HG23 H 1 0.856 0.03 . 1 . . . . . 137 VAL MG2 . 25701 1 303 . 1 1 136 136 VAL C C 13 171.37 0.2 . 1 . . . . . 137 VAL C . 25701 1 304 . 1 1 136 136 VAL CA C 13 55.77 0.2 . 1 . . . . . 137 VAL CA . 25701 1 305 . 1 1 136 136 VAL CB C 13 30.73 0.2 . 1 . . . . . 137 VAL CB . 25701 1 306 . 1 1 136 136 VAL CG1 C 13 18.122 0.2 . 1 . . . . . 137 VAL CG1 . 25701 1 307 . 1 1 136 136 VAL CG2 C 13 19.11 0.2 . 1 . . . . . 137 VAL CG2 . 25701 1 308 . 1 1 136 136 VAL N N 15 119.28 0.2 . 1 . . . . . 137 VAL N . 25701 1 309 . 1 1 140 140 VAL HG11 H 1 0.956 0.03 . 1 . . . . . 141 VAL MG1 . 25701 1 310 . 1 1 140 140 VAL HG12 H 1 0.956 0.03 . 1 . . . . . 141 VAL MG1 . 25701 1 311 . 1 1 140 140 VAL HG13 H 1 0.956 0.03 . 1 . . . . . 141 VAL MG1 . 25701 1 312 . 1 1 140 140 VAL HG21 H 1 0.815 0.03 . 1 . . . . . 141 VAL MG2 . 25701 1 313 . 1 1 140 140 VAL HG22 H 1 0.815 0.03 . 1 . . . . . 141 VAL MG2 . 25701 1 314 . 1 1 140 140 VAL HG23 H 1 0.815 0.03 . 1 . . . . . 141 VAL MG2 . 25701 1 315 . 1 1 140 140 VAL CG1 C 13 18.508 0.2 . 1 . . . . . 141 VAL CG1 . 25701 1 316 . 1 1 140 140 VAL CG2 C 13 17.74 0.2 . 1 . . . . . 141 VAL CG2 . 25701 1 317 . 1 1 147 147 LEU HD11 H 1 0.963 0.03 . 1 . . . . . 148 LEU MD1 . 25701 1 318 . 1 1 147 147 LEU HD12 H 1 0.963 0.03 . 1 . . . . . 148 LEU MD1 . 25701 1 319 . 1 1 147 147 LEU HD13 H 1 0.963 0.03 . 1 . . . . . 148 LEU MD1 . 25701 1 320 . 1 1 147 147 LEU HD21 H 1 0.88 0.03 . 1 . . . . . 148 LEU MD2 . 25701 1 321 . 1 1 147 147 LEU HD22 H 1 0.88 0.03 . 1 . . . . . 148 LEU MD2 . 25701 1 322 . 1 1 147 147 LEU HD23 H 1 0.88 0.03 . 1 . . . . . 148 LEU MD2 . 25701 1 323 . 1 1 147 147 LEU CD1 C 13 22.378 0.2 . 1 . . . . . 148 LEU CD1 . 25701 1 324 . 1 1 147 147 LEU CD2 C 13 20.754 0.2 . 1 . . . . . 148 LEU CD2 . 25701 1 325 . 1 1 152 152 ILE H H 1 8.67 0.03 . 1 . . . . . 153 ILE H . 25701 1 326 . 1 1 152 152 ILE HD11 H 1 0.953 0.03 . 1 . . . . . 153 ILE MD . 25701 1 327 . 1 1 152 152 ILE HD12 H 1 0.953 0.03 . 1 . . . . . 153 ILE MD . 25701 1 328 . 1 1 152 152 ILE HD13 H 1 0.953 0.03 . 1 . . . . . 153 ILE MD . 25701 1 329 . 1 1 152 152 ILE C C 13 173.65 0.2 . 1 . . . . . 153 ILE C . 25701 1 330 . 1 1 152 152 ILE CA C 13 59.805 0.2 . 1 . . . . . 153 ILE CA . 25701 1 331 . 1 1 152 152 ILE CB C 13 35.13 0.2 . 1 . . . . . 153 ILE CB . 25701 1 332 . 1 1 152 152 ILE CD1 C 13 11.973 0.2 . 1 . . . . . 153 ILE CD1 . 25701 1 333 . 1 1 152 152 ILE N N 15 118.27 0.2 . 1 . . . . . 153 ILE N . 25701 1 334 . 1 1 153 153 ASN H H 1 8.47 0.03 . 1 . . . . . 154 ASN H . 25701 1 335 . 1 1 153 153 ASN CA C 13 51.59 0.2 . 1 . . . . . 154 ASN CA . 25701 1 336 . 1 1 153 153 ASN CB C 13 34.79 0.2 . 1 . . . . . 154 ASN CB . 25701 1 337 . 1 1 153 153 ASN N N 15 118.53 0.2 . 1 . . . . . 154 ASN N . 25701 1 338 . 1 1 155 155 LEU H H 1 7.11 0.03 . 1 . . . . . 156 LEU H . 25701 1 339 . 1 1 155 155 LEU HD11 H 1 0.869 0.03 . 1 . . . . . 156 LEU MD1 . 25701 1 340 . 1 1 155 155 LEU HD12 H 1 0.869 0.03 . 1 . . . . . 156 LEU MD1 . 25701 1 341 . 1 1 155 155 LEU HD13 H 1 0.869 0.03 . 1 . . . . . 156 LEU MD1 . 25701 1 342 . 1 1 155 155 LEU HD21 H 1 0.782 0.03 . 1 . . . . . 156 LEU MD2 . 25701 1 343 . 1 1 155 155 LEU HD22 H 1 0.782 0.03 . 1 . . . . . 156 LEU MD2 . 25701 1 344 . 1 1 155 155 LEU HD23 H 1 0.782 0.03 . 1 . . . . . 156 LEU MD2 . 25701 1 345 . 1 1 155 155 LEU C C 13 175.53 0.2 . 1 . . . . . 156 LEU C . 25701 1 346 . 1 1 155 155 LEU CA C 13 55.555 0.2 . 1 . . . . . 156 LEU CA . 25701 1 347 . 1 1 155 155 LEU CB C 13 38.91 0.2 . 1 . . . . . 156 LEU CB . 25701 1 348 . 1 1 155 155 LEU CD1 C 13 22.102 0.2 . 1 . . . . . 156 LEU CD1 . 25701 1 349 . 1 1 155 155 LEU CD2 C 13 21.447 0.2 . 1 . . . . . 156 LEU CD2 . 25701 1 350 . 1 1 155 155 LEU N N 15 119.27 0.2 . 1 . . . . . 156 LEU N . 25701 1 351 . 1 1 156 156 ASN H H 1 8.48 0.03 . 1 . . . . . 157 ASN H . 25701 1 352 . 1 1 156 156 ASN C C 13 172.95 0.2 . 1 . . . . . 157 ASN C . 25701 1 353 . 1 1 156 156 ASN CA C 13 52.085 0.2 . 1 . . . . . 157 ASN CA . 25701 1 354 . 1 1 156 156 ASN CB C 13 34.88 0.2 . 1 . . . . . 157 ASN CB . 25701 1 355 . 1 1 156 156 ASN N N 15 112.81 0.2 . 1 . . . . . 157 ASN N . 25701 1 356 . 1 1 157 157 GLU H H 1 7.98 0.03 . 1 . . . . . 158 GLU H . 25701 1 357 . 1 1 157 157 GLU C C 13 173.7 0.2 . 1 . . . . . 158 GLU C . 25701 1 358 . 1 1 157 157 GLU CA C 13 52.795 0.2 . 1 . . . . . 158 GLU CA . 25701 1 359 . 1 1 157 157 GLU CB C 13 27.12 0.2 . 1 . . . . . 158 GLU CB . 25701 1 360 . 1 1 157 157 GLU N N 15 117.83 0.2 . 1 . . . . . 158 GLU N . 25701 1 361 . 1 1 158 158 ILE H H 1 6.75 0.03 . 1 . . . . . 159 ILE H . 25701 1 362 . 1 1 158 158 ILE HD11 H 1 0.487 0.03 . 1 . . . . . 159 ILE MD . 25701 1 363 . 1 1 158 158 ILE HD12 H 1 0.487 0.03 . 1 . . . . . 159 ILE MD . 25701 1 364 . 1 1 158 158 ILE HD13 H 1 0.487 0.03 . 1 . . . . . 159 ILE MD . 25701 1 365 . 1 1 158 158 ILE C C 13 171.93 0.2 . 1 . . . . . 159 ILE C . 25701 1 366 . 1 1 158 158 ILE CA C 13 57.395 0.2 . 1 . . . . . 159 ILE CA . 25701 1 367 . 1 1 158 158 ILE CB C 13 35.23 0.2 . 1 . . . . . 159 ILE CB . 25701 1 368 . 1 1 158 158 ILE CD1 C 13 12.474 0.2 . 1 . . . . . 159 ILE CD1 . 25701 1 369 . 1 1 158 158 ILE N N 15 122.61 0.2 . 1 . . . . . 159 ILE N . 25701 1 370 . 1 1 162 162 TYR H H 1 6.56 0.03 . 1 . . . . . 163 TYR H . 25701 1 371 . 1 1 162 162 TYR C C 13 170.63 0.2 . 1 . . . . . 163 TYR C . 25701 1 372 . 1 1 162 162 TYR CB C 13 39.13 0.2 . 1 . . . . . 163 TYR CB . 25701 1 373 . 1 1 162 162 TYR N N 15 114.4 0.2 . 1 . . . . . 163 TYR N . 25701 1 374 . 1 1 163 163 LYS H H 1 8.86 0.03 . 1 . . . . . 164 LYS H . 25701 1 375 . 1 1 163 163 LYS C C 13 172.68 0.2 . 1 . . . . . 164 LYS C . 25701 1 376 . 1 1 163 163 LYS CA C 13 55.37 0.2 . 1 . . . . . 164 LYS CA . 25701 1 377 . 1 1 163 163 LYS CB C 13 31.81 0.2 . 1 . . . . . 164 LYS CB . 25701 1 378 . 1 1 163 163 LYS N N 15 117.44 0.2 . 1 . . . . . 164 LYS N . 25701 1 379 . 1 1 165 165 VAL HG11 H 1 0.842 0.03 . 1 . . . . . 166 VAL MG1 . 25701 1 380 . 1 1 165 165 VAL HG12 H 1 0.842 0.03 . 1 . . . . . 166 VAL MG1 . 25701 1 381 . 1 1 165 165 VAL HG13 H 1 0.842 0.03 . 1 . . . . . 166 VAL MG1 . 25701 1 382 . 1 1 165 165 VAL HG21 H 1 1.04 0.03 . 1 . . . . . 166 VAL MG2 . 25701 1 383 . 1 1 165 165 VAL HG22 H 1 1.04 0.03 . 1 . . . . . 166 VAL MG2 . 25701 1 384 . 1 1 165 165 VAL HG23 H 1 1.04 0.03 . 1 . . . . . 166 VAL MG2 . 25701 1 385 . 1 1 165 165 VAL CG1 C 13 18.556 0.2 . 1 . . . . . 166 VAL CG1 . 25701 1 386 . 1 1 165 165 VAL CG2 C 13 19.989 0.2 . 1 . . . . . 166 VAL CG2 . 25701 1 387 . 1 1 167 167 VAL H H 1 8.19 0.03 . 1 . . . . . 168 VAL H . 25701 1 388 . 1 1 167 167 VAL HG11 H 1 0.633 0.03 . 1 . . . . . 168 VAL MG1 . 25701 1 389 . 1 1 167 167 VAL HG12 H 1 0.633 0.03 . 1 . . . . . 168 VAL MG1 . 25701 1 390 . 1 1 167 167 VAL HG13 H 1 0.633 0.03 . 1 . . . . . 168 VAL MG1 . 25701 1 391 . 1 1 167 167 VAL HG21 H 1 0.135 0.03 . 1 . . . . . 168 VAL MG2 . 25701 1 392 . 1 1 167 167 VAL HG22 H 1 0.135 0.03 . 1 . . . . . 168 VAL MG2 . 25701 1 393 . 1 1 167 167 VAL HG23 H 1 0.135 0.03 . 1 . . . . . 168 VAL MG2 . 25701 1 394 . 1 1 167 167 VAL C C 13 172.34 0.2 . 1 . . . . . 168 VAL C . 25701 1 395 . 1 1 167 167 VAL CA C 13 55.37 0.2 . 1 . . . . . 168 VAL CA . 25701 1 396 . 1 1 167 167 VAL CB C 13 32.71 0.2 . 1 . . . . . 168 VAL CB . 25701 1 397 . 1 1 167 167 VAL CG1 C 13 16.895 0.2 . 1 . . . . . 168 VAL CG1 . 25701 1 398 . 1 1 167 167 VAL CG2 C 13 20.103 0.2 . 1 . . . . . 168 VAL CG2 . 25701 1 399 . 1 1 167 167 VAL N N 15 119.03 0.2 . 1 . . . . . 168 VAL N . 25701 1 400 . 1 1 168 168 PHE H H 1 8.36 0.03 . 1 . . . . . 169 PHE H . 25701 1 401 . 1 1 168 168 PHE CA C 13 53.27 0.2 . 1 . . . . . 169 PHE CA . 25701 1 402 . 1 1 168 168 PHE CB C 13 39.51 0.2 . 1 . . . . . 169 PHE CB . 25701 1 403 . 1 1 168 168 PHE N N 15 124.82 0.2 . 1 . . . . . 169 PHE N . 25701 1 404 . 1 1 169 169 LEU H H 1 8.4 0.03 . 1 . . . . . 170 LEU H . 25701 1 405 . 1 1 169 169 LEU HD11 H 1 0.57 0.03 . 1 . . . . . 170 LEU MD1 . 25701 1 406 . 1 1 169 169 LEU HD12 H 1 0.57 0.03 . 1 . . . . . 170 LEU MD1 . 25701 1 407 . 1 1 169 169 LEU HD13 H 1 0.57 0.03 . 1 . . . . . 170 LEU MD1 . 25701 1 408 . 1 1 169 169 LEU HD21 H 1 0.019 0.03 . 1 . . . . . 170 LEU MD2 . 25701 1 409 . 1 1 169 169 LEU HD22 H 1 0.019 0.03 . 1 . . . . . 170 LEU MD2 . 25701 1 410 . 1 1 169 169 LEU HD23 H 1 0.019 0.03 . 1 . . . . . 170 LEU MD2 . 25701 1 411 . 1 1 169 169 LEU C C 13 173.03 0.2 . 1 . . . . . 170 LEU C . 25701 1 412 . 1 1 169 169 LEU CA C 13 51.105 0.2 . 1 . . . . . 170 LEU CA . 25701 1 413 . 1 1 169 169 LEU CB C 13 41.43 0.2 . 1 . . . . . 170 LEU CB . 25701 1 414 . 1 1 169 169 LEU CD1 C 13 24.208 0.2 . 1 . . . . . 170 LEU CD1 . 25701 1 415 . 1 1 169 169 LEU CD2 C 13 20.84 0.2 . 1 . . . . . 170 LEU CD2 . 25701 1 416 . 1 1 169 169 LEU N N 15 122.05 0.2 . 1 . . . . . 170 LEU N . 25701 1 417 . 1 1 170 170 GLN H H 1 9.24 0.03 . 1 . . . . . 171 GLN H . 25701 1 418 . 1 1 170 170 GLN C C 13 171.15 0.2 . 1 . . . . . 171 GLN C . 25701 1 419 . 1 1 170 170 GLN CA C 13 50.475 0.2 . 1 . . . . . 171 GLN CA . 25701 1 420 . 1 1 170 170 GLN CB C 13 30.67 0.2 . 1 . . . . . 171 GLN CB . 25701 1 421 . 1 1 170 170 GLN N N 15 125.78 0.2 . 1 . . . . . 171 GLN N . 25701 1 422 . 1 1 171 171 ASP H H 1 8.51 0.03 . 1 . . . . . 172 ASP H . 25701 1 423 . 1 1 171 171 ASP C C 13 173.8 0.2 . 1 . . . . . 172 ASP C . 25701 1 424 . 1 1 171 171 ASP CA C 13 53.215 0.2 . 1 . . . . . 172 ASP CA . 25701 1 425 . 1 1 171 171 ASP CB C 13 39.44 0.2 . 1 . . . . . 172 ASP CB . 25701 1 426 . 1 1 171 171 ASP N N 15 125.44 0.2 . 1 . . . . . 172 ASP N . 25701 1 427 . 1 1 172 172 LYS H H 1 9.15 0.03 . 1 . . . . . 173 LYS H . 25701 1 428 . 1 1 172 172 LYS C C 13 174.89 0.2 . 1 . . . . . 173 LYS C . 25701 1 429 . 1 1 172 172 LYS CB C 13 39.47 0.2 . 1 . . . . . 173 LYS CB . 25701 1 430 . 1 1 172 172 LYS N N 15 124.29 0.2 . 1 . . . . . 173 LYS N . 25701 1 431 . 1 1 174 174 VAL HG11 H 1 0.356 0.03 . 1 . . . . . 175 VAL MG1 . 25701 1 432 . 1 1 174 174 VAL HG12 H 1 0.356 0.03 . 1 . . . . . 175 VAL MG1 . 25701 1 433 . 1 1 174 174 VAL HG13 H 1 0.356 0.03 . 1 . . . . . 175 VAL MG1 . 25701 1 434 . 1 1 174 174 VAL HG21 H 1 -0.418 0.03 . 1 . . . . . 175 VAL MG2 . 25701 1 435 . 1 1 174 174 VAL HG22 H 1 -0.418 0.03 . 1 . . . . . 175 VAL MG2 . 25701 1 436 . 1 1 174 174 VAL HG23 H 1 -0.418 0.03 . 1 . . . . . 175 VAL MG2 . 25701 1 437 . 1 1 174 174 VAL CG1 C 13 18.457 0.2 . 1 . . . . . 175 VAL CG1 . 25701 1 438 . 1 1 174 174 VAL CG2 C 13 18.694 0.2 . 1 . . . . . 175 VAL CG2 . 25701 1 439 . 1 1 175 175 ILE H H 1 6.52 0.03 . 1 . . . . . 176 ILE H . 25701 1 440 . 1 1 175 175 ILE HD11 H 1 0.925 0.03 . 1 . . . . . 176 ILE MD . 25701 1 441 . 1 1 175 175 ILE HD12 H 1 0.925 0.03 . 1 . . . . . 176 ILE MD . 25701 1 442 . 1 1 175 175 ILE HD13 H 1 0.925 0.03 . 1 . . . . . 176 ILE MD . 25701 1 443 . 1 1 175 175 ILE CA C 13 56.355 0.2 . 1 . . . . . 176 ILE CA . 25701 1 444 . 1 1 175 175 ILE CB C 13 34.14 0.2 . 1 . . . . . 176 ILE CB . 25701 1 445 . 1 1 175 175 ILE CD1 C 13 12.081 0.2 . 1 . . . . . 176 ILE CD1 . 25701 1 446 . 1 1 175 175 ILE N N 15 106.03 0.2 . 1 . . . . . 176 ILE N . 25701 1 447 . 1 1 176 176 ALA H H 1 7.22 0.03 . 1 . . . . . 177 ALA H . 25701 1 448 . 1 1 176 176 ALA C C 13 172.91 0.2 . 1 . . . . . 177 ALA C . 25701 1 449 . 1 1 176 176 ALA CA C 13 50.49 0.2 . 1 . . . . . 177 ALA CA . 25701 1 450 . 1 1 176 176 ALA CB C 13 17.99 0.2 . 1 . . . . . 177 ALA CB . 25701 1 451 . 1 1 176 176 ALA N N 15 126.52 0.2 . 1 . . . . . 177 ALA N . 25701 1 452 . 1 1 177 177 GLY H H 1 9.06 0.03 . 1 . . . . . 178 GLY H . 25701 1 453 . 1 1 177 177 GLY C C 13 168.52 0.2 . 1 . . . . . 178 GLY C . 25701 1 454 . 1 1 177 177 GLY CA C 13 40.175 0.2 . 1 . . . . . 178 GLY CA . 25701 1 455 . 1 1 177 177 GLY N N 15 110.27 0.2 . 1 . . . . . 178 GLY N . 25701 1 456 . 1 1 178 178 ASP H H 1 8.18 0.03 . 1 . . . . . 179 ASP H . 25701 1 457 . 1 1 178 178 ASP CA C 13 48.815 0.2 . 1 . . . . . 179 ASP CA . 25701 1 458 . 1 1 178 178 ASP CB C 13 35.82 0.2 . 1 . . . . . 179 ASP CB . 25701 1 459 . 1 1 178 178 ASP N N 15 113.74 0.2 . 1 . . . . . 179 ASP N . 25701 1 460 . 1 1 179 179 LEU H H 1 7.63 0.03 . 1 . . . . . 180 LEU H . 25701 1 461 . 1 1 179 179 LEU HD11 H 1 1.162 0.03 . 1 . . . . . 180 LEU MD1 . 25701 1 462 . 1 1 179 179 LEU HD12 H 1 1.162 0.03 . 1 . . . . . 180 LEU MD1 . 25701 1 463 . 1 1 179 179 LEU HD13 H 1 1.162 0.03 . 1 . . . . . 180 LEU MD1 . 25701 1 464 . 1 1 179 179 LEU HD21 H 1 1.259 0.03 . 1 . . . . . 180 LEU MD2 . 25701 1 465 . 1 1 179 179 LEU HD22 H 1 1.259 0.03 . 1 . . . . . 180 LEU MD2 . 25701 1 466 . 1 1 179 179 LEU HD23 H 1 1.259 0.03 . 1 . . . . . 180 LEU MD2 . 25701 1 467 . 1 1 179 179 LEU C C 13 175.62 0.2 . 1 . . . . . 180 LEU C . 25701 1 468 . 1 1 179 179 LEU CA C 13 59.795 0.2 . 1 . . . . . 180 LEU CA . 25701 1 469 . 1 1 179 179 LEU CB C 13 40.74 0.2 . 1 . . . . . 180 LEU CB . 25701 1 470 . 1 1 179 179 LEU CD1 C 13 24.406 0.2 . 1 . . . . . 180 LEU CD1 . 25701 1 471 . 1 1 179 179 LEU CD2 C 13 21.024 0.2 . 1 . . . . . 180 LEU CD2 . 25701 1 472 . 1 1 179 179 LEU N N 15 119.51 0.2 . 1 . . . . . 180 LEU N . 25701 1 473 . 1 1 180 180 ALA H H 1 8.11 0.03 . 1 . . . . . 181 ALA H . 25701 1 474 . 1 1 180 180 ALA CA C 13 50.80 0.2 . 1 . . . . . 181 ALA CA . 25701 1 475 . 1 1 180 180 ALA CB C 13 16.24 0.2 . 1 . . . . . 181 ALA CB . 25701 1 476 . 1 1 180 180 ALA N N 15 123.35 0.2 . 1 . . . . . 181 ALA N . 25701 1 477 . 1 1 181 181 GLY H H 1 8.72 0.03 . 1 . . . . . 182 GLY H . 25701 1 478 . 1 1 181 181 GLY C C 13 170.28 0.2 . 1 . . . . . 182 GLY C . 25701 1 479 . 1 1 181 181 GLY CA C 13 41.86 0.2 . 1 . . . . . 182 GLY CA . 25701 1 480 . 1 1 181 181 GLY N N 15 109.02 0.2 . 1 . . . . . 182 GLY N . 25701 1 481 . 1 1 182 182 SER H H 1 7.77 0.03 . 1 . . . . . 183 SER H . 25701 1 482 . 1 1 182 182 SER CA C 13 54.38 0.2 . 1 . . . . . 183 SER CA . 25701 1 483 . 1 1 182 182 SER CB C 13 61.06 0.2 . 1 . . . . . 183 SER CB . 25701 1 484 . 1 1 182 182 SER N N 15 114.3 0.2 . 1 . . . . . 183 SER N . 25701 1 485 . 1 1 183 183 GLY H H 1 8.95 0.03 . 1 . . . . . 184 GLY H . 25701 1 486 . 1 1 183 183 GLY C C 13 173.02 0.2 . 1 . . . . . 184 GLY C . 25701 1 487 . 1 1 183 183 GLY CA C 13 43.04 0.2 . 1 . . . . . 184 GLY CA . 25701 1 488 . 1 1 183 183 GLY N N 15 109.73 0.2 . 1 . . . . . 184 GLY N . 25701 1 489 . 1 1 187 187 ASN H H 1 7.29 0.03 . 1 . . . . . 188 ASN H . 25701 1 490 . 1 1 187 187 ASN CA C 13 52.34 0.2 . 1 . . . . . 188 ASN CA . 25701 1 491 . 1 1 187 187 ASN CB C 13 37.51 0.2 . 1 . . . . . 188 ASN CB . 25701 1 492 . 1 1 187 187 ASN N N 15 115.25 0.2 . 1 . . . . . 188 ASN N . 25701 1 493 . 1 1 188 188 ILE H H 1 9.2 0.03 . 1 . . . . . 189 ILE H . 25701 1 494 . 1 1 188 188 ILE HD11 H 1 0.282 0.03 . 1 . . . . . 189 ILE MD . 25701 1 495 . 1 1 188 188 ILE HD12 H 1 0.282 0.03 . 1 . . . . . 189 ILE MD . 25701 1 496 . 1 1 188 188 ILE HD13 H 1 0.282 0.03 . 1 . . . . . 189 ILE MD . 25701 1 497 . 1 1 188 188 ILE C C 13 173.13 0.2 . 1 . . . . . 189 ILE C . 25701 1 498 . 1 1 188 188 ILE CA C 13 58.96 0.2 . 1 . . . . . 189 ILE CA . 25701 1 499 . 1 1 188 188 ILE CB C 13 35.84 0.2 . 1 . . . . . 189 ILE CB . 25701 1 500 . 1 1 188 188 ILE CD1 C 13 9.678 0.2 . 1 . . . . . 189 ILE CD1 . 25701 1 501 . 1 1 188 188 ILE N N 15 123.71 0.2 . 1 . . . . . 189 ILE N . 25701 1 502 . 1 1 189 189 GLY H H 1 6.86 0.03 . 1 . . . . . 190 GLY H . 25701 1 503 . 1 1 189 189 GLY C C 13 171.05 0.2 . 1 . . . . . 190 GLY C . 25701 1 504 . 1 1 189 189 GLY CA C 13 40.58 0.2 . 1 . . . . . 190 GLY CA . 25701 1 505 . 1 1 189 189 GLY N N 15 117.2 0.2 . 1 . . . . . 190 GLY N . 25701 1 506 . 1 1 190 190 SER H H 1 8.48 0.03 . 1 . . . . . 191 SER H . 25701 1 507 . 1 1 190 190 SER C C 13 171.93 0.2 . 1 . . . . . 191 SER C . 25701 1 508 . 1 1 190 190 SER CA C 13 55.81 0.2 . 1 . . . . . 191 SER CA . 25701 1 509 . 1 1 190 190 SER CB C 13 63.24 0.2 . 1 . . . . . 191 SER CB . 25701 1 510 . 1 1 190 190 SER N N 15 116.96 0.2 . 1 . . . . . 191 SER N . 25701 1 511 . 1 1 191 191 ILE H H 1 8.26 0.03 . 1 . . . . . 192 ILE H . 25701 1 512 . 1 1 191 191 ILE HD11 H 1 -0.066 0.03 . 1 . . . . . 192 ILE MD . 25701 1 513 . 1 1 191 191 ILE HD12 H 1 -0.066 0.03 . 1 . . . . . 192 ILE MD . 25701 1 514 . 1 1 191 191 ILE HD13 H 1 -0.066 0.03 . 1 . . . . . 192 ILE MD . 25701 1 515 . 1 1 191 191 ILE CA C 13 60.46 0.2 . 1 . . . . . 192 ILE CA . 25701 1 516 . 1 1 191 191 ILE CB C 13 35.57 0.2 . 1 . . . . . 192 ILE CB . 25701 1 517 . 1 1 191 191 ILE CD1 C 13 9.698 0.2 . 1 . . . . . 192 ILE CD1 . 25701 1 518 . 1 1 191 191 ILE N N 15 113.77 0.2 . 1 . . . . . 192 ILE N . 25701 1 519 . 1 1 192 192 HIS H H 1 8.82 0.03 . 1 . . . . . 193 HIS H . 25701 1 520 . 1 1 192 192 HIS CA C 13 49.735 0.2 . 1 . . . . . 193 HIS CA . 25701 1 521 . 1 1 192 192 HIS CB C 13 27.23 0.2 . 1 . . . . . 193 HIS CB . 25701 1 522 . 1 1 192 192 HIS N N 15 125.08 0.2 . 1 . . . . . 193 HIS N . 25701 1 523 . 1 1 193 193 ALA H H 1 8.75 0.03 . 1 . . . . . 194 ALA H . 25701 1 524 . 1 1 193 193 ALA C C 13 172.85 0.2 . 1 . . . . . 194 ALA C . 25701 1 525 . 1 1 193 193 ALA CA C 13 48.205 0.2 . 1 . . . . . 194 ALA CA . 25701 1 526 . 1 1 193 193 ALA CB C 13 19.03 0.2 . 1 . . . . . 194 ALA CB . 25701 1 527 . 1 1 193 193 ALA N N 15 127.35 0.2 . 1 . . . . . 194 ALA N . 25701 1 528 . 1 1 194 194 HIS H H 1 8.54 0.03 . 1 . . . . . 195 HIS H . 25701 1 529 . 1 1 194 194 HIS C C 13 173.77 0.2 . 1 . . . . . 195 HIS C . 25701 1 530 . 1 1 194 194 HIS CA C 13 54.945 0.2 . 1 . . . . . 195 HIS CA . 25701 1 531 . 1 1 194 194 HIS CB C 13 28.04 0.2 . 1 . . . . . 195 HIS CB . 25701 1 532 . 1 1 194 194 HIS N N 15 119.63 0.2 . 1 . . . . . 195 HIS N . 25701 1 533 . 1 1 195 195 TYR H H 1 9.18 0.03 . 1 . . . . . 196 TYR H . 25701 1 534 . 1 1 195 195 TYR CA C 13 59.44 0.2 . 1 . . . . . 196 TYR CA . 25701 1 535 . 1 1 195 195 TYR CB C 13 35.39 0.2 . 1 . . . . . 196 TYR CB . 25701 1 536 . 1 1 195 195 TYR N N 15 123.41 0.2 . 1 . . . . . 196 TYR N . 25701 1 537 . 1 1 196 196 LYS H H 1 8.95 0.03 . 1 . . . . . 197 LYS H . 25701 1 538 . 1 1 196 196 LYS C C 13 174.47 0.2 . 1 . . . . . 197 LYS C . 25701 1 539 . 1 1 196 196 LYS CA C 13 56.12 0.2 . 1 . . . . . 197 LYS CA . 25701 1 540 . 1 1 196 196 LYS CB C 13 28.58 0.2 . 1 . . . . . 197 LYS CB . 25701 1 541 . 1 1 196 196 LYS N N 15 117.61 0.2 . 1 . . . . . 197 LYS N . 25701 1 542 . 1 1 197 197 ASP H H 1 7.68 0.03 . 1 . . . . . 198 ASP H . 25701 1 543 . 1 1 197 197 ASP C C 13 176.1 0.2 . 1 . . . . . 198 ASP C . 25701 1 544 . 1 1 197 197 ASP CA C 13 54.305 0.2 . 1 . . . . . 198 ASP CA . 25701 1 545 . 1 1 197 197 ASP CB C 13 36.92 0.2 . 1 . . . . . 198 ASP CB . 25701 1 546 . 1 1 197 197 ASP N N 15 119.32 0.2 . 1 . . . . . 198 ASP N . 25701 1 547 . 1 1 198 198 PHE H H 1 7.33 0.03 . 1 . . . . . 199 PHE H . 25701 1 548 . 1 1 198 198 PHE CA C 13 58.295 0.2 . 1 . . . . . 199 PHE CA . 25701 1 549 . 1 1 198 198 PHE CB C 13 33.26 0.2 . 1 . . . . . 199 PHE CB . 25701 1 550 . 1 1 198 198 PHE N N 15 119.25 0.2 . 1 . . . . . 199 PHE N . 25701 1 551 . 1 1 199 199 VAL H H 1 6.75 0.03 . 1 . . . . . 200 VAL H . 25701 1 552 . 1 1 199 199 VAL HG11 H 1 0.909 0.03 . 1 . . . . . 200 VAL MG1 . 25701 1 553 . 1 1 199 199 VAL HG12 H 1 0.909 0.03 . 1 . . . . . 200 VAL MG1 . 25701 1 554 . 1 1 199 199 VAL HG13 H 1 0.909 0.03 . 1 . . . . . 200 VAL MG1 . 25701 1 555 . 1 1 199 199 VAL HG21 H 1 0.547 0.03 . 1 . . . . . 200 VAL MG2 . 25701 1 556 . 1 1 199 199 VAL HG22 H 1 0.547 0.03 . 1 . . . . . 200 VAL MG2 . 25701 1 557 . 1 1 199 199 VAL HG23 H 1 0.547 0.03 . 1 . . . . . 200 VAL MG2 . 25701 1 558 . 1 1 199 199 VAL C C 13 176.39 0.2 . 1 . . . . . 200 VAL C . 25701 1 559 . 1 1 199 199 VAL CA C 13 53.86 0.2 . 1 . . . . . 200 VAL CA . 25701 1 560 . 1 1 199 199 VAL CB C 13 28.45 0.2 . 1 . . . . . 200 VAL CB . 25701 1 561 . 1 1 199 199 VAL CG1 C 13 18.15 0.2 . 1 . . . . . 200 VAL CG1 . 25701 1 562 . 1 1 199 199 VAL CG2 C 13 19.402 0.2 . 1 . . . . . 200 VAL CG2 . 25701 1 563 . 1 1 199 199 VAL N N 15 118.52 0.2 . 1 . . . . . 200 VAL N . 25701 1 564 . 1 1 200 200 GLU H H 1 7.94 0.03 . 1 . . . . . 201 GLU H . 25701 1 565 . 1 1 200 200 GLU C C 13 174.07 0.2 . 1 . . . . . 201 GLU C . 25701 1 566 . 1 1 200 200 GLU CA C 13 53.86 0.2 . 1 . . . . . 201 GLU CA . 25701 1 567 . 1 1 200 200 GLU CB C 13 26.6 0.2 . 1 . . . . . 201 GLU CB . 25701 1 568 . 1 1 200 200 GLU N N 15 114.91 0.2 . 1 . . . . . 201 GLU N . 25701 1 569 . 1 1 201 201 GLY H H 1 7.16 0.03 . 1 . . . . . 202 GLY H . 25701 1 570 . 1 1 201 201 GLY C C 13 170.79 0.2 . 1 . . . . . 202 GLY C . 25701 1 571 . 1 1 201 201 GLY CA C 13 44.22 0.2 . 1 . . . . . 202 GLY CA . 25701 1 572 . 1 1 201 201 GLY N N 15 109.34 0.2 . 1 . . . . . 202 GLY N . 25701 1 573 . 1 1 202 202 LYS H H 1 7.84 0.03 . 1 . . . . . 203 LYS H . 25701 1 574 . 1 1 202 202 LYS C C 13 172.13 0.2 . 1 . . . . . 203 LYS C . 25701 1 575 . 1 1 202 202 LYS CA C 13 51.43 0.2 . 1 . . . . . 203 LYS CA . 25701 1 576 . 1 1 202 202 LYS CB C 13 27.05 0.2 . 1 . . . . . 203 LYS CB . 25701 1 577 . 1 1 202 202 LYS N N 15 123.44 0.2 . 1 . . . . . 203 LYS N . 25701 1 578 . 1 1 203 203 GLY H H 1 7.37 0.03 . 1 . . . . . 204 GLY H . 25701 1 579 . 1 1 203 203 GLY CA C 13 41.31 0.2 . 1 . . . . . 204 GLY CA . 25701 1 580 . 1 1 203 203 GLY N N 15 110.15 0.2 . 1 . . . . . 204 GLY N . 25701 1 581 . 1 1 204 204 ILE HD11 H 1 0.338 0.03 . 1 . . . . . 205 ILE MD . 25701 1 582 . 1 1 204 204 ILE HD12 H 1 0.338 0.03 . 1 . . . . . 205 ILE MD . 25701 1 583 . 1 1 204 204 ILE HD13 H 1 0.338 0.03 . 1 . . . . . 205 ILE MD . 25701 1 584 . 1 1 204 204 ILE CD1 C 13 11.406 0.2 . 1 . . . . . 205 ILE CD1 . 25701 1 585 . 1 1 205 205 PHE H H 1 8.37 0.03 . 1 . . . . . 206 PHE H . 25701 1 586 . 1 1 205 205 PHE CA C 13 57.325 0.2 . 1 . . . . . 206 PHE CA . 25701 1 587 . 1 1 205 205 PHE CB C 13 36.89 0.2 . 1 . . . . . 206 PHE CB . 25701 1 588 . 1 1 205 205 PHE N N 15 122.12 0.2 . 1 . . . . . 206 PHE N . 25701 1 589 . 1 1 206 206 ASP H H 1 9.68 0.03 . 1 . . . . . 207 ASP H . 25701 1 590 . 1 1 206 206 ASP CA C 13 52.705 0.2 . 1 . . . . . 207 ASP CA . 25701 1 591 . 1 1 206 206 ASP CB C 13 39.07 0.2 . 1 . . . . . 207 ASP CB . 25701 1 592 . 1 1 206 206 ASP N N 15 120.85 0.2 . 1 . . . . . 207 ASP N . 25701 1 593 . 1 1 207 207 SER H H 1 7.47 0.03 . 1 . . . . . 208 SER H . 25701 1 594 . 1 1 207 207 SER CA C 13 53.735 0.2 . 1 . . . . . 208 SER CA . 25701 1 595 . 1 1 207 207 SER CB C 13 62.59 0.2 . 1 . . . . . 208 SER CB . 25701 1 596 . 1 1 207 207 SER N N 15 110.06 0.2 . 1 . . . . . 208 SER N . 25701 1 597 . 1 1 208 208 GLU H H 1 7.78 0.03 . 1 . . . . . 209 GLU H . 25701 1 598 . 1 1 208 208 GLU C C 13 174.85 0.2 . 1 . . . . . 209 GLU C . 25701 1 599 . 1 1 208 208 GLU CA C 13 56.13 0.2 . 1 . . . . . 209 GLU CA . 25701 1 600 . 1 1 208 208 GLU CB C 13 25.42 0.2 . 1 . . . . . 209 GLU CB . 25701 1 601 . 1 1 208 208 GLU N N 15 123.38 0.2 . 1 . . . . . 209 GLU N . 25701 1 602 . 1 1 209 209 ASP H H 1 7.67 0.03 . 1 . . . . . 210 ASP H . 25701 1 603 . 1 1 209 209 ASP C C 13 175.73 0.2 . 1 . . . . . 210 ASP C . 25701 1 604 . 1 1 209 209 ASP CA C 13 54.14 0.2 . 1 . . . . . 210 ASP CA . 25701 1 605 . 1 1 209 209 ASP CB C 13 37.22 0.2 . 1 . . . . . 210 ASP CB . 25701 1 606 . 1 1 209 209 ASP N N 15 116.81 0.2 . 1 . . . . . 210 ASP N . 25701 1 607 . 1 1 210 210 GLU H H 1 7.86 0.03 . 1 . . . . . 211 GLU H . 25701 1 608 . 1 1 210 210 GLU C C 13 173.9 0.2 . 1 . . . . . 211 GLU C . 25701 1 609 . 1 1 210 210 GLU CA C 13 56.795 0.2 . 1 . . . . . 211 GLU CA . 25701 1 610 . 1 1 210 210 GLU CB C 13 27.35 0.2 . 1 . . . . . 211 GLU CB . 25701 1 611 . 1 1 210 210 GLU N N 15 124.55 0.2 . 1 . . . . . 211 GLU N . 25701 1 612 . 1 1 211 211 PHE H H 1 7.21 0.03 . 1 . . . . . 212 PHE H . 25701 1 613 . 1 1 211 211 PHE C C 13 173.15 0.2 . 1 . . . . . 212 PHE C . 25701 1 614 . 1 1 211 211 PHE CA C 13 56.17 0.2 . 1 . . . . . 212 PHE CA . 25701 1 615 . 1 1 211 211 PHE CB C 13 35.35 0.2 . 1 . . . . . 212 PHE CB . 25701 1 616 . 1 1 211 211 PHE N N 15 120.34 0.2 . 1 . . . . . 212 PHE N . 25701 1 617 . 1 1 212 212 LEU H H 1 7.98 0.03 . 1 . . . . . 213 LEU H . 25701 1 618 . 1 1 212 212 LEU HD11 H 1 1.133 0.03 . 1 . . . . . 213 LEU MD1 . 25701 1 619 . 1 1 212 212 LEU HD12 H 1 1.133 0.03 . 1 . . . . . 213 LEU MD1 . 25701 1 620 . 1 1 212 212 LEU HD13 H 1 1.133 0.03 . 1 . . . . . 213 LEU MD1 . 25701 1 621 . 1 1 212 212 LEU HD21 H 1 0.91 0.03 . 1 . . . . . 213 LEU MD2 . 25701 1 622 . 1 1 212 212 LEU HD22 H 1 0.91 0.03 . 1 . . . . . 213 LEU MD2 . 25701 1 623 . 1 1 212 212 LEU HD23 H 1 0.91 0.03 . 1 . . . . . 213 LEU MD2 . 25701 1 624 . 1 1 212 212 LEU CA C 13 54.295 0.2 . 1 . . . . . 213 LEU CA . 25701 1 625 . 1 1 212 212 LEU CB C 13 39.08 0.2 . 1 . . . . . 213 LEU CB . 25701 1 626 . 1 1 212 212 LEU CD1 C 13 22.535 0.2 . 1 . . . . . 213 LEU CD1 . 25701 1 627 . 1 1 212 212 LEU CD2 C 13 20.584 0.2 . 1 . . . . . 213 LEU CD2 . 25701 1 628 . 1 1 212 212 LEU N N 15 119.17 0.2 . 1 . . . . . 213 LEU N . 25701 1 629 . 1 1 213 213 ASP H H 1 7.99 0.03 . 1 . . . . . 214 ASP H . 25701 1 630 . 1 1 213 213 ASP C C 13 176.09 0.2 . 1 . . . . . 214 ASP C . 25701 1 631 . 1 1 213 213 ASP CA C 13 55.295 0.2 . 1 . . . . . 214 ASP CA . 25701 1 632 . 1 1 213 213 ASP CB C 13 38.08 0.2 . 1 . . . . . 214 ASP CB . 25701 1 633 . 1 1 213 213 ASP N N 15 119 0.2 . 1 . . . . . 214 ASP N . 25701 1 634 . 1 1 214 214 TYR H H 1 8.47 0.03 . 1 . . . . . 215 TYR H . 25701 1 635 . 1 1 214 214 TYR C C 13 177.89 0.2 . 1 . . . . . 215 TYR C . 25701 1 636 . 1 1 214 214 TYR CA C 13 58.325 0.2 . 1 . . . . . 215 TYR CA . 25701 1 637 . 1 1 214 214 TYR CB C 13 36.04 0.2 . 1 . . . . . 215 TYR CB . 25701 1 638 . 1 1 214 214 TYR N N 15 119.94 0.2 . 1 . . . . . 215 TYR N . 25701 1 639 . 1 1 215 215 TRP H H 1 7.72 0.03 . 1 . . . . . 216 TRP H . 25701 1 640 . 1 1 215 215 TRP C C 13 175.43 0.2 . 1 . . . . . 216 TRP C . 25701 1 641 . 1 1 215 215 TRP CA C 13 57.385 0.2 . 1 . . . . . 216 TRP CA . 25701 1 642 . 1 1 215 215 TRP CB C 13 25.02 0.2 . 1 . . . . . 216 TRP CB . 25701 1 643 . 1 1 215 215 TRP N N 15 119.97 0.2 . 1 . . . . . 216 TRP N . 25701 1 644 . 1 1 216 216 ARG H H 1 8.63 0.03 . 1 . . . . . 217 ARG H . 25701 1 645 . 1 1 216 216 ARG C C 13 173.98 0.2 . 1 . . . . . 217 ARG C . 25701 1 646 . 1 1 216 216 ARG CA C 13 55.77 0.2 . 1 . . . . . 217 ARG CA . 25701 1 647 . 1 1 216 216 ARG CB C 13 27.78 0.2 . 1 . . . . . 217 ARG CB . 25701 1 648 . 1 1 216 216 ARG N N 15 119.83 0.2 . 1 . . . . . 217 ARG N . 25701 1 649 . 1 1 217 217 ASN H H 1 6.75 0.03 . 1 . . . . . 218 ASN H . 25701 1 650 . 1 1 217 217 ASN CA C 13 49.94 0.2 . 1 . . . . . 218 ASN CA . 25701 1 651 . 1 1 217 217 ASN CB C 13 38.58 0.2 . 1 . . . . . 218 ASN CB . 25701 1 652 . 1 1 217 217 ASN N N 15 113.29 0.2 . 1 . . . . . 218 ASN N . 25701 1 653 . 1 1 218 218 TYR H H 1 6.38 0.03 . 1 . . . . . 219 TYR H . 25701 1 654 . 1 1 218 218 TYR CA C 13 55.4 0.2 . 1 . . . . . 219 TYR CA . 25701 1 655 . 1 1 218 218 TYR CB C 13 35.5 0.2 . 1 . . . . . 219 TYR CB . 25701 1 656 . 1 1 218 218 TYR N N 15 124.01 0.2 . 1 . . . . . 219 TYR N . 25701 1 657 . 1 1 219 219 GLU H H 1 6.51 0.03 . 1 . . . . . 220 GLU H . 25701 1 658 . 1 1 219 219 GLU C C 13 173.66 0.2 . 1 . . . . . 220 GLU C . 25701 1 659 . 1 1 219 219 GLU CA C 13 51.78 0.2 . 1 . . . . . 220 GLU CA . 25701 1 660 . 1 1 219 219 GLU CB C 13 26.53 0.2 . 1 . . . . . 220 GLU CB . 25701 1 661 . 1 1 219 219 GLU N N 15 125.73 0.2 . 1 . . . . . 220 GLU N . 25701 1 662 . 1 1 220 220 ARG H H 1 8.67 0.03 . 1 . . . . . 221 ARG H . 25701 1 663 . 1 1 220 220 ARG CB C 13 26.47 0.2 . 1 . . . . . 221 ARG CB . 25701 1 664 . 1 1 220 220 ARG N N 15 116.33 0.2 . 1 . . . . . 221 ARG N . 25701 1 665 . 1 1 221 221 THR H H 1 7.06 0.03 . 1 . . . . . 222 THR H . 25701 1 666 . 1 1 221 221 THR CB C 13 68.92 0.2 . 1 . . . . . 222 THR CB . 25701 1 667 . 1 1 221 221 THR N N 15 105.87 0.2 . 1 . . . . . 222 THR N . 25701 1 668 . 1 1 223 223 GLN H H 1 8.55 0.03 . 1 . . . . . 224 GLN H . 25701 1 669 . 1 1 223 223 GLN C C 13 175.86 0.2 . 1 . . . . . 224 GLN C . 25701 1 670 . 1 1 223 223 GLN CA C 13 56.01 0.2 . 1 . . . . . 224 GLN CA . 25701 1 671 . 1 1 223 223 GLN CB C 13 24.69 0.2 . 1 . . . . . 224 GLN CB . 25701 1 672 . 1 1 223 223 GLN N N 15 120.27 0.2 . 1 . . . . . 224 GLN N . 25701 1 673 . 1 1 224 224 LEU H H 1 7.11 0.03 . 1 . . . . . 225 LEU H . 25701 1 674 . 1 1 224 224 LEU HD11 H 1 1.019 0.03 . 1 . . . . . 225 LEU MD1 . 25701 1 675 . 1 1 224 224 LEU HD12 H 1 1.019 0.03 . 1 . . . . . 225 LEU MD1 . 25701 1 676 . 1 1 224 224 LEU HD13 H 1 1.019 0.03 . 1 . . . . . 225 LEU MD1 . 25701 1 677 . 1 1 224 224 LEU HD21 H 1 0.87 0.03 . 1 . . . . . 225 LEU MD2 . 25701 1 678 . 1 1 224 224 LEU HD22 H 1 0.87 0.03 . 1 . . . . . 225 LEU MD2 . 25701 1 679 . 1 1 224 224 LEU HD23 H 1 0.87 0.03 . 1 . . . . . 225 LEU MD2 . 25701 1 680 . 1 1 224 224 LEU C C 13 176.65 0.2 . 1 . . . . . 225 LEU C . 25701 1 681 . 1 1 224 224 LEU CA C 13 53.33 0.2 . 1 . . . . . 225 LEU CA . 25701 1 682 . 1 1 224 224 LEU CB C 13 39.03 0.2 . 1 . . . . . 225 LEU CB . 25701 1 683 . 1 1 224 224 LEU CD1 C 13 22.961 0.2 . 1 . . . . . 225 LEU CD1 . 25701 1 684 . 1 1 224 224 LEU CD2 C 13 19.445 0.2 . 1 . . . . . 225 LEU CD2 . 25701 1 685 . 1 1 224 224 LEU N N 15 117.91 0.2 . 1 . . . . . 225 LEU N . 25701 1 686 . 1 1 225 225 ARG H H 1 7.82 0.03 . 1 . . . . . 226 ARG H . 25701 1 687 . 1 1 225 225 ARG C C 13 176.07 0.2 . 1 . . . . . 226 ARG C . 25701 1 688 . 1 1 225 225 ARG CA C 13 56.515 0.2 . 1 . . . . . 226 ARG CA . 25701 1 689 . 1 1 225 225 ARG CB C 13 27.43 0.2 . 1 . . . . . 226 ARG CB . 25701 1 690 . 1 1 225 225 ARG N N 15 119.39 0.2 . 1 . . . . . 226 ARG N . 25701 1 691 . 1 1 226 226 ASN H H 1 7.54 0.03 . 1 . . . . . 227 ASN H . 25701 1 692 . 1 1 226 226 ASN C C 13 173.03 0.2 . 1 . . . . . 227 ASN C . 25701 1 693 . 1 1 226 226 ASN CA C 13 53.18 0.2 . 1 . . . . . 227 ASN CA . 25701 1 694 . 1 1 226 226 ASN CB C 13 35.6 0.2 . 1 . . . . . 227 ASN CB . 25701 1 695 . 1 1 226 226 ASN N N 15 117.66 0.2 . 1 . . . . . 227 ASN N . 25701 1 696 . 1 1 227 227 ASP H H 1 7.44 0.03 . 1 . . . . . 228 ASP H . 25701 1 697 . 1 1 227 227 ASP CA C 13 51.135 0.2 . 1 . . . . . 228 ASP CA . 25701 1 698 . 1 1 227 227 ASP CB C 13 37.95 0.2 . 1 . . . . . 228 ASP CB . 25701 1 699 . 1 1 227 227 ASP N N 15 116.57 0.2 . 1 . . . . . 228 ASP N . 25701 1 700 . 1 1 228 228 LYS H H 1 7.59 0.03 . 1 . . . . . 229 LYS H . 25701 1 701 . 1 1 228 228 LYS C C 13 170.13 0.2 . 1 . . . . . 229 LYS C . 25701 1 702 . 1 1 228 228 LYS CA C 13 54.37 0.2 . 1 . . . . . 229 LYS CA . 25701 1 703 . 1 1 228 228 LYS CB C 13 30.85 0.2 . 1 . . . . . 229 LYS CB . 25701 1 704 . 1 1 228 228 LYS N N 15 124.35 0.2 . 1 . . . . . 229 LYS N . 25701 1 705 . 1 1 229 229 TYR H H 1 6.38 0.03 . 1 . . . . . 230 TYR H . 25701 1 706 . 1 1 229 229 TYR C C 13 171.27 0.2 . 1 . . . . . 230 TYR C . 25701 1 707 . 1 1 229 229 TYR CB C 13 36.53 0.2 . 1 . . . . . 230 TYR CB . 25701 1 708 . 1 1 229 229 TYR N N 15 112.48 0.2 . 1 . . . . . 230 TYR N . 25701 1 709 . 1 1 230 230 ASN H H 1 9.05 0.03 . 1 . . . . . 231 ASN H . 25701 1 710 . 1 1 230 230 ASN C C 13 171.28 0.2 . 1 . . . . . 231 ASN C . 25701 1 711 . 1 1 230 230 ASN CA C 13 49.86 0.2 . 1 . . . . . 231 ASN CA . 25701 1 712 . 1 1 230 230 ASN CB C 13 39.14 0.2 . 1 . . . . . 231 ASN CB . 25701 1 713 . 1 1 230 230 ASN N N 15 115.71 0.2 . 1 . . . . . 231 ASN N . 25701 1 714 . 1 1 231 231 ASN H H 1 7.73 0.03 . 1 . . . . . 232 ASN H . 25701 1 715 . 1 1 231 231 ASN C C 13 174.62 0.2 . 1 . . . . . 232 ASN C . 25701 1 716 . 1 1 231 231 ASN CA C 13 49.93 0.2 . 1 . . . . . 232 ASN CA . 25701 1 717 . 1 1 231 231 ASN CB C 13 36.54 0.2 . 1 . . . . . 232 ASN CB . 25701 1 718 . 1 1 231 231 ASN N N 15 112.55 0.2 . 1 . . . . . 232 ASN N . 25701 1 719 . 1 1 232 232 ILE H H 1 10.96 0.03 . 1 . . . . . 233 ILE H . 25701 1 720 . 1 1 232 232 ILE HD11 H 1 0.591 0.03 . 1 . . . . . 233 ILE MD . 25701 1 721 . 1 1 232 232 ILE HD12 H 1 0.591 0.03 . 1 . . . . . 233 ILE MD . 25701 1 722 . 1 1 232 232 ILE HD13 H 1 0.591 0.03 . 1 . . . . . 233 ILE MD . 25701 1 723 . 1 1 232 232 ILE C C 13 173.53 0.2 . 1 . . . . . 233 ILE C . 25701 1 724 . 1 1 232 232 ILE CA C 13 59.93 0.2 . 1 . . . . . 233 ILE CA . 25701 1 725 . 1 1 232 232 ILE CB C 13 34.85 0.2 . 1 . . . . . 233 ILE CB . 25701 1 726 . 1 1 232 232 ILE CD1 C 13 13.126 0.2 . 1 . . . . . 233 ILE CD1 . 25701 1 727 . 1 1 232 232 ILE N N 15 121.77 0.2 . 1 . . . . . 233 ILE N . 25701 1 728 . 1 1 233 233 SER H H 1 7.88 0.03 . 1 . . . . . 234 SER H . 25701 1 729 . 1 1 233 233 SER CA C 13 58.95 0.2 . 1 . . . . . 234 SER CA . 25701 1 730 . 1 1 233 233 SER CB C 13 34.9 0.2 . 1 . . . . . 234 SER CB . 25701 1 731 . 1 1 233 233 SER N N 15 120.91 0.2 . 1 . . . . . 234 SER N . 25701 1 732 . 1 1 234 234 GLU H H 1 8.51 0.03 . 1 . . . . . 235 GLU H . 25701 1 733 . 1 1 234 234 GLU C C 13 177.56 0.2 . 1 . . . . . 235 GLU C . 25701 1 734 . 1 1 234 234 GLU CA C 13 55.85 0.2 . 1 . . . . . 235 GLU CA . 25701 1 735 . 1 1 234 234 GLU CB C 13 27.47 0.2 . 1 . . . . . 235 GLU CB . 25701 1 736 . 1 1 234 234 GLU N N 15 122.28 0.2 . 1 . . . . . 235 GLU N . 25701 1 737 . 1 1 235 235 TYR H H 1 8.87 0.03 . 1 . . . . . 236 TYR H . 25701 1 738 . 1 1 235 235 TYR CA C 13 57.94 0.2 . 1 . . . . . 236 TYR CA . 25701 1 739 . 1 1 235 235 TYR CB C 13 35.12 0.2 . 1 . . . . . 236 TYR CB . 25701 1 740 . 1 1 235 235 TYR N N 15 126.14 0.2 . 1 . . . . . 236 TYR N . 25701 1 741 . 1 1 236 236 ARG H H 1 8.38 0.03 . 1 . . . . . 237 ARG H . 25701 1 742 . 1 1 236 236 ARG C C 13 176.48 0.2 . 1 . . . . . 237 ARG C . 25701 1 743 . 1 1 236 236 ARG CA C 13 57.44 0.2 . 1 . . . . . 237 ARG CA . 25701 1 744 . 1 1 236 236 ARG CB C 13 25.32 0.2 . 1 . . . . . 237 ARG CB . 25701 1 745 . 1 1 236 236 ARG N N 15 120.31 0.2 . 1 . . . . . 237 ARG N . 25701 1 746 . 1 1 237 237 ASN H H 1 7.65 0.03 . 1 . . . . . 238 ASN H . 25701 1 747 . 1 1 237 237 ASN C C 13 173.54 0.2 . 1 . . . . . 238 ASN C . 25701 1 748 . 1 1 237 237 ASN CA C 13 53.25 0.2 . 1 . . . . . 238 ASN CA . 25701 1 749 . 1 1 237 237 ASN CB C 13 35.6 0.2 . 1 . . . . . 238 ASN CB . 25701 1 750 . 1 1 237 237 ASN N N 15 118.89 0.2 . 1 . . . . . 238 ASN N . 25701 1 751 . 1 1 238 238 TRP H H 1 8.51 0.03 . 1 . . . . . 239 TRP H . 25701 1 752 . 1 1 238 238 TRP C C 13 176.49 0.2 . 1 . . . . . 239 TRP C . 25701 1 753 . 1 1 238 238 TRP CA C 13 58.78 0.2 . 1 . . . . . 239 TRP CA . 25701 1 754 . 1 1 238 238 TRP CB C 13 24.66 0.2 . 1 . . . . . 239 TRP CB . 25701 1 755 . 1 1 238 238 TRP N N 15 125.75 0.2 . 1 . . . . . 239 TRP N . 25701 1 756 . 1 1 239 239 ILE H H 1 8.32 0.03 . 1 . . . . . 240 ILE H . 25701 1 757 . 1 1 239 239 ILE HD11 H 1 0.635 0.03 . 1 . . . . . 240 ILE MD . 25701 1 758 . 1 1 239 239 ILE HD12 H 1 0.635 0.03 . 1 . . . . . 240 ILE MD . 25701 1 759 . 1 1 239 239 ILE HD13 H 1 0.635 0.03 . 1 . . . . . 240 ILE MD . 25701 1 760 . 1 1 239 239 ILE C C 13 177.31 0.2 . 1 . . . . . 240 ILE C . 25701 1 761 . 1 1 239 239 ILE CA C 13 60.46 0.2 . 1 . . . . . 240 ILE CA . 25701 1 762 . 1 1 239 239 ILE CB C 13 32.86 0.2 . 1 . . . . . 240 ILE CB . 25701 1 763 . 1 1 239 239 ILE CD1 C 13 9.093 0.2 . 1 . . . . . 240 ILE CD1 . 25701 1 764 . 1 1 239 239 ILE N N 15 118.62 0.2 . 1 . . . . . 240 ILE N . 25701 1 765 . 1 1 240 240 TYR H H 1 7.66 0.03 . 1 . . . . . 241 TYR H . 25701 1 766 . 1 1 240 240 TYR CA C 13 57.29 0.2 . 1 . . . . . 241 TYR CA . 25701 1 767 . 1 1 240 240 TYR CB C 13 34.5 0.2 . 1 . . . . . 241 TYR CB . 25701 1 768 . 1 1 240 240 TYR N N 15 123.25 0.2 . 1 . . . . . 241 TYR N . 25701 1 769 . 1 1 241 241 ARG H H 1 7.82 0.03 . 1 . . . . . 242 ARG H . 25701 1 770 . 1 1 241 241 ARG C C 13 173.54 0.2 . 1 . . . . . 242 ARG C . 25701 1 771 . 1 1 241 241 ARG CA C 13 53.61 0.2 . 1 . . . . . 242 ARG CA . 25701 1 772 . 1 1 241 241 ARG CB C 13 27.27 0.2 . 1 . . . . . 242 ARG CB . 25701 1 773 . 1 1 241 241 ARG N N 15 117.34 0.2 . 1 . . . . . 242 ARG N . 25701 1 774 . 1 1 242 242 GLY H H 1 7.72 0.03 . 1 . . . . . 243 GLY H . 25701 1 775 . 1 1 242 242 GLY C C 13 171.36 0.2 . 1 . . . . . 243 GLY C . 25701 1 776 . 1 1 242 242 GLY CA C 13 42.44 0.2 . 1 . . . . . 243 GLY CA . 25701 1 777 . 1 1 242 242 GLY N N 15 107.78 0.2 . 1 . . . . . 243 GLY N . 25701 1 778 . 1 1 243 243 ARG H H 1 7.99 0.03 . 1 . . . . . 244 ARG H . 25701 1 779 . 1 1 243 243 ARG C C 13 171.87 0.2 . 1 . . . . . 244 ARG C . 25701 1 780 . 1 1 243 243 ARG CA C 13 52.89 0.2 . 1 . . . . . 244 ARG CA . 25701 1 781 . 1 1 243 243 ARG CB C 13 24.12 0.2 . 1 . . . . . 244 ARG CB . 25701 1 782 . 1 1 243 243 ARG N N 15 117.86 0.2 . 1 . . . . . 244 ARG N . 25701 1 783 . 1 1 244 244 LYS H H 1 7.03 0.03 . 1 . . . . . 245 LYS H . 25701 1 784 . 1 1 244 244 LYS C C 13 178.45 0.2 . 1 . . . . . 245 LYS C . 25701 1 785 . 1 1 244 244 LYS CA C 13 54.40 0.2 . 1 . . . . . 245 LYS CA . 25701 1 786 . 1 1 244 244 LYS CB C 13 30.19 0.2 . 1 . . . . . 245 LYS CB . 25701 1 787 . 1 1 244 244 LYS N N 15 123.62 0.2 . 1 . . . . . 245 LYS N . 25701 1 stop_ save_