data_28055 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28055 _Entry.Title ; Backbone resonance assignments of N-terminal domain of p50 NF-kappaB subunit ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-12-20 _Entry.Accession_date 2019-12-20 _Entry.Last_release_date 2019-12-20 _Entry.Original_release_date 2019-12-20 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Sulakshana Mukherjee . P. . . 28055 2 Tahseen Raza . . . . 28055 3 Hanudatta Atreya . S. . . 28055 4 Prikshat Dadhwal . . . . 28055 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Indian Institute of Technology Roorkee' . 28055 2 . 'Indian Institute of Science Bengaluru' . 28055 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 28055 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 427 28055 '15N chemical shifts' 158 28055 '1H chemical shifts' 158 28055 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2021-06-25 2019-12-20 update BMRB 'update entry citation' 28055 1 . . 2020-12-21 2019-12-20 original author 'original release' 28055 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50819 'T1, T2, and NOE of N-terminal domain of p50 subunit of NF-kappaB' 28055 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 28055 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34056439 _Citation.DOI 10.1021/acsomega.1c01299 _Citation.Full_citation . _Citation.Title ; Insights into the NF-kappaB-DNA Interaction through NMR Spectroscopy. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'ACS Omega' _Citation.Journal_name_full 'ACS omega' _Citation.Journal_volume 6 _Citation.Journal_issue 19 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2470-1343 _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 12877 _Citation.Page_last 12886 _Citation.Year 2021 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Tahseen Raza T. . . . 28055 1 2 Nitin Dhaka N. . . . 28055 1 3 David Joseph D. . . . 28055 1 4 Prikshat Dadhwal P. . . . 28055 1 5 'Veera Mohana Rao' Kakita . . . . 28055 1 6 Hanudatta Atreya H. S. . . 28055 1 7 Sulakshana Mukherjee S. P. . . 28055 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NF-kappaB 28055 1 'Transcription factor' 28055 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28055 _Assembly.ID 1 _Assembly.Name 'p50 NF-kappaB subunit' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 p50NTD 1 $p50NTD A . yes native no no . . . 28055 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_p50NTD _Entity.Sf_category entity _Entity.Sf_framecode p50NTD _Entity.Entry_ID 28055 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name p50NTD _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 ; GPYLQILEQPKQRGFRFRYV CEGPSHGGLPGASSEKNKKS YPQVKICNYVGPAKVIVQLV TNGKNIHLHAHSLVGKHCED GVCTVTAGPKDMVVGFANLG ILHVTKKKVFETLEARMTEA CIRGYNPGLLVHSDLAYLQA EGGGDRQLTDREKEIIRQAA VQQTKEMDLSVVRLMFTAFL PDSTGSFTRRLEPVVSDAIY DSKAPNA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The start residue is 39 of p50 NF-kappaB subunit' _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 207 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'N-terminal domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 39 GLY . 28055 1 2 40 PRO . 28055 1 3 41 TYR . 28055 1 4 42 LEU . 28055 1 5 43 GLN . 28055 1 6 44 ILE . 28055 1 7 45 LEU . 28055 1 8 46 GLU . 28055 1 9 47 GLN . 28055 1 10 48 PRO . 28055 1 11 49 LYS . 28055 1 12 50 GLN . 28055 1 13 51 ARG . 28055 1 14 52 GLY . 28055 1 15 53 PHE . 28055 1 16 54 ARG . 28055 1 17 55 PHE . 28055 1 18 56 ARG . 28055 1 19 57 TYR . 28055 1 20 58 VAL . 28055 1 21 59 CYS . 28055 1 22 60 GLU . 28055 1 23 61 GLY . 28055 1 24 62 PRO . 28055 1 25 63 SER . 28055 1 26 64 HIS . 28055 1 27 65 GLY . 28055 1 28 66 GLY . 28055 1 29 67 LEU . 28055 1 30 68 PRO . 28055 1 31 69 GLY . 28055 1 32 70 ALA . 28055 1 33 71 SER . 28055 1 34 72 SER . 28055 1 35 73 GLU . 28055 1 36 74 LYS . 28055 1 37 75 ASN . 28055 1 38 76 LYS . 28055 1 39 77 LYS . 28055 1 40 78 SER . 28055 1 41 79 TYR . 28055 1 42 80 PRO . 28055 1 43 81 GLN . 28055 1 44 82 VAL . 28055 1 45 83 LYS . 28055 1 46 84 ILE . 28055 1 47 85 CYS . 28055 1 48 86 ASN . 28055 1 49 87 TYR . 28055 1 50 88 VAL . 28055 1 51 89 GLY . 28055 1 52 90 PRO . 28055 1 53 91 ALA . 28055 1 54 92 LYS . 28055 1 55 93 VAL . 28055 1 56 94 ILE . 28055 1 57 95 VAL . 28055 1 58 96 GLN . 28055 1 59 97 LEU . 28055 1 60 98 VAL . 28055 1 61 99 THR . 28055 1 62 100 ASN . 28055 1 63 101 GLY . 28055 1 64 102 LYS . 28055 1 65 103 ASN . 28055 1 66 104 ILE . 28055 1 67 105 HIS . 28055 1 68 106 LEU . 28055 1 69 107 HIS . 28055 1 70 108 ALA . 28055 1 71 109 HIS . 28055 1 72 110 SER . 28055 1 73 111 LEU . 28055 1 74 112 VAL . 28055 1 75 113 GLY . 28055 1 76 114 LYS . 28055 1 77 115 HIS . 28055 1 78 116 CYS . 28055 1 79 117 GLU . 28055 1 80 118 ASP . 28055 1 81 119 GLY . 28055 1 82 120 VAL . 28055 1 83 121 CYS . 28055 1 84 122 THR . 28055 1 85 123 VAL . 28055 1 86 124 THR . 28055 1 87 125 ALA . 28055 1 88 126 GLY . 28055 1 89 127 PRO . 28055 1 90 128 LYS . 28055 1 91 129 ASP . 28055 1 92 130 MET . 28055 1 93 131 VAL . 28055 1 94 132 VAL . 28055 1 95 133 GLY . 28055 1 96 134 PHE . 28055 1 97 135 ALA . 28055 1 98 136 ASN . 28055 1 99 137 LEU . 28055 1 100 138 GLY . 28055 1 101 139 ILE . 28055 1 102 140 LEU . 28055 1 103 141 HIS . 28055 1 104 142 VAL . 28055 1 105 143 THR . 28055 1 106 144 LYS . 28055 1 107 145 LYS . 28055 1 108 146 LYS . 28055 1 109 147 VAL . 28055 1 110 148 PHE . 28055 1 111 149 GLU . 28055 1 112 150 THR . 28055 1 113 151 LEU . 28055 1 114 152 GLU . 28055 1 115 153 ALA . 28055 1 116 154 ARG . 28055 1 117 155 MET . 28055 1 118 156 THR . 28055 1 119 157 GLU . 28055 1 120 158 ALA . 28055 1 121 159 CYS . 28055 1 122 160 ILE . 28055 1 123 161 ARG . 28055 1 124 162 GLY . 28055 1 125 163 TYR . 28055 1 126 164 ASN . 28055 1 127 165 PRO . 28055 1 128 166 GLY . 28055 1 129 167 LEU . 28055 1 130 168 LEU . 28055 1 131 169 VAL . 28055 1 132 170 HIS . 28055 1 133 171 SER . 28055 1 134 172 ASP . 28055 1 135 173 LEU . 28055 1 136 174 ALA . 28055 1 137 175 TYR . 28055 1 138 176 LEU . 28055 1 139 177 GLN . 28055 1 140 178 ALA . 28055 1 141 179 GLU . 28055 1 142 180 GLY . 28055 1 143 181 GLY . 28055 1 144 182 GLY . 28055 1 145 183 ASP . 28055 1 146 184 ARG . 28055 1 147 185 GLN . 28055 1 148 186 LEU . 28055 1 149 187 THR . 28055 1 150 188 ASP . 28055 1 151 189 ARG . 28055 1 152 190 GLU . 28055 1 153 191 LYS . 28055 1 154 192 GLU . 28055 1 155 193 ILE . 28055 1 156 194 ILE . 28055 1 157 195 ARG . 28055 1 158 196 GLN . 28055 1 159 197 ALA . 28055 1 160 198 ALA . 28055 1 161 199 VAL . 28055 1 162 200 GLN . 28055 1 163 201 GLN . 28055 1 164 202 THR . 28055 1 165 203 LYS . 28055 1 166 204 GLU . 28055 1 167 205 MET . 28055 1 168 206 ASP . 28055 1 169 207 LEU . 28055 1 170 208 SER . 28055 1 171 209 VAL . 28055 1 172 210 VAL . 28055 1 173 211 ARG . 28055 1 174 212 LEU . 28055 1 175 213 MET . 28055 1 176 214 PHE . 28055 1 177 215 THR . 28055 1 178 216 ALA . 28055 1 179 217 PHE . 28055 1 180 218 LEU . 28055 1 181 219 PRO . 28055 1 182 220 ASP . 28055 1 183 221 SER . 28055 1 184 222 THR . 28055 1 185 223 GLY . 28055 1 186 224 SER . 28055 1 187 225 PHE . 28055 1 188 226 THR . 28055 1 189 227 ARG . 28055 1 190 228 ARG . 28055 1 191 229 LEU . 28055 1 192 230 GLU . 28055 1 193 231 PRO . 28055 1 194 232 VAL . 28055 1 195 233 VAL . 28055 1 196 234 SER . 28055 1 197 235 ASP . 28055 1 198 236 ALA . 28055 1 199 237 ILE . 28055 1 200 238 TYR . 28055 1 201 239 ASP . 28055 1 202 240 SER . 28055 1 203 241 LYS . 28055 1 204 242 ALA . 28055 1 205 243 PRO . 28055 1 206 244 ASN . 28055 1 207 245 ALA . 28055 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 . GLY 1 1 28055 1 . PRO 2 2 28055 1 . TYR 3 3 28055 1 . LEU 4 4 28055 1 . GLN 5 5 28055 1 . ILE 6 6 28055 1 . LEU 7 7 28055 1 . GLU 8 8 28055 1 . GLN 9 9 28055 1 . PRO 10 10 28055 1 . LYS 11 11 28055 1 . GLN 12 12 28055 1 . ARG 13 13 28055 1 . GLY 14 14 28055 1 . PHE 15 15 28055 1 . ARG 16 16 28055 1 . PHE 17 17 28055 1 . ARG 18 18 28055 1 . TYR 19 19 28055 1 . VAL 20 20 28055 1 . CYS 21 21 28055 1 . GLU 22 22 28055 1 . GLY 23 23 28055 1 . PRO 24 24 28055 1 . SER 25 25 28055 1 . HIS 26 26 28055 1 . GLY 27 27 28055 1 . GLY 28 28 28055 1 . LEU 29 29 28055 1 . PRO 30 30 28055 1 . GLY 31 31 28055 1 . ALA 32 32 28055 1 . SER 33 33 28055 1 . SER 34 34 28055 1 . GLU 35 35 28055 1 . LYS 36 36 28055 1 . ASN 37 37 28055 1 . LYS 38 38 28055 1 . LYS 39 39 28055 1 . SER 40 40 28055 1 . TYR 41 41 28055 1 . PRO 42 42 28055 1 . GLN 43 43 28055 1 . VAL 44 44 28055 1 . LYS 45 45 28055 1 . ILE 46 46 28055 1 . CYS 47 47 28055 1 . ASN 48 48 28055 1 . TYR 49 49 28055 1 . VAL 50 50 28055 1 . GLY 51 51 28055 1 . PRO 52 52 28055 1 . ALA 53 53 28055 1 . LYS 54 54 28055 1 . VAL 55 55 28055 1 . ILE 56 56 28055 1 . VAL 57 57 28055 1 . GLN 58 58 28055 1 . LEU 59 59 28055 1 . VAL 60 60 28055 1 . THR 61 61 28055 1 . ASN 62 62 28055 1 . GLY 63 63 28055 1 . LYS 64 64 28055 1 . ASN 65 65 28055 1 . ILE 66 66 28055 1 . HIS 67 67 28055 1 . LEU 68 68 28055 1 . HIS 69 69 28055 1 . ALA 70 70 28055 1 . HIS 71 71 28055 1 . SER 72 72 28055 1 . LEU 73 73 28055 1 . VAL 74 74 28055 1 . GLY 75 75 28055 1 . LYS 76 76 28055 1 . HIS 77 77 28055 1 . CYS 78 78 28055 1 . GLU 79 79 28055 1 . ASP 80 80 28055 1 . GLY 81 81 28055 1 . VAL 82 82 28055 1 . CYS 83 83 28055 1 . THR 84 84 28055 1 . VAL 85 85 28055 1 . THR 86 86 28055 1 . ALA 87 87 28055 1 . GLY 88 88 28055 1 . PRO 89 89 28055 1 . LYS 90 90 28055 1 . ASP 91 91 28055 1 . MET 92 92 28055 1 . VAL 93 93 28055 1 . VAL 94 94 28055 1 . GLY 95 95 28055 1 . PHE 96 96 28055 1 . ALA 97 97 28055 1 . ASN 98 98 28055 1 . LEU 99 99 28055 1 . GLY 100 100 28055 1 . ILE 101 101 28055 1 . LEU 102 102 28055 1 . HIS 103 103 28055 1 . VAL 104 104 28055 1 . THR 105 105 28055 1 . LYS 106 106 28055 1 . LYS 107 107 28055 1 . LYS 108 108 28055 1 . VAL 109 109 28055 1 . PHE 110 110 28055 1 . GLU 111 111 28055 1 . THR 112 112 28055 1 . LEU 113 113 28055 1 . GLU 114 114 28055 1 . ALA 115 115 28055 1 . ARG 116 116 28055 1 . MET 117 117 28055 1 . THR 118 118 28055 1 . GLU 119 119 28055 1 . ALA 120 120 28055 1 . CYS 121 121 28055 1 . ILE 122 122 28055 1 . ARG 123 123 28055 1 . GLY 124 124 28055 1 . TYR 125 125 28055 1 . ASN 126 126 28055 1 . PRO 127 127 28055 1 . GLY 128 128 28055 1 . LEU 129 129 28055 1 . LEU 130 130 28055 1 . VAL 131 131 28055 1 . HIS 132 132 28055 1 . SER 133 133 28055 1 . ASP 134 134 28055 1 . LEU 135 135 28055 1 . ALA 136 136 28055 1 . TYR 137 137 28055 1 . LEU 138 138 28055 1 . GLN 139 139 28055 1 . ALA 140 140 28055 1 . GLU 141 141 28055 1 . GLY 142 142 28055 1 . GLY 143 143 28055 1 . GLY 144 144 28055 1 . ASP 145 145 28055 1 . ARG 146 146 28055 1 . GLN 147 147 28055 1 . LEU 148 148 28055 1 . THR 149 149 28055 1 . ASP 150 150 28055 1 . ARG 151 151 28055 1 . GLU 152 152 28055 1 . LYS 153 153 28055 1 . GLU 154 154 28055 1 . ILE 155 155 28055 1 . ILE 156 156 28055 1 . ARG 157 157 28055 1 . GLN 158 158 28055 1 . ALA 159 159 28055 1 . ALA 160 160 28055 1 . VAL 161 161 28055 1 . GLN 162 162 28055 1 . GLN 163 163 28055 1 . THR 164 164 28055 1 . LYS 165 165 28055 1 . GLU 166 166 28055 1 . MET 167 167 28055 1 . ASP 168 168 28055 1 . LEU 169 169 28055 1 . SER 170 170 28055 1 . VAL 171 171 28055 1 . VAL 172 172 28055 1 . ARG 173 173 28055 1 . LEU 174 174 28055 1 . MET 175 175 28055 1 . PHE 176 176 28055 1 . THR 177 177 28055 1 . ALA 178 178 28055 1 . PHE 179 179 28055 1 . LEU 180 180 28055 1 . PRO 181 181 28055 1 . ASP 182 182 28055 1 . SER 183 183 28055 1 . THR 184 184 28055 1 . GLY 185 185 28055 1 . SER 186 186 28055 1 . PHE 187 187 28055 1 . THR 188 188 28055 1 . ARG 189 189 28055 1 . ARG 190 190 28055 1 . LEU 191 191 28055 1 . GLU 192 192 28055 1 . PRO 193 193 28055 1 . VAL 194 194 28055 1 . VAL 195 195 28055 1 . SER 196 196 28055 1 . ASP 197 197 28055 1 . ALA 198 198 28055 1 . ILE 199 199 28055 1 . TYR 200 200 28055 1 . ASP 201 201 28055 1 . SER 202 202 28055 1 . LYS 203 203 28055 1 . ALA 204 204 28055 1 . PRO 205 205 28055 1 . ASN 206 206 28055 1 . ALA 207 207 28055 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 28055 _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 $p50NTD . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 28055 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 28055 _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 $p50NTD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET11a . . . 28055 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 28055 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM Tris (pH6.8), 50 mM NaCl, 1mM DTT' _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 p50NTD '[U-13C; U-15N; U-2H]' . . 1 $p50NTD . . 0.9 0.8 1 mM . . . . 28055 1 2 Tris 'natural abundance' . . . . . . 20 . . mM . . . . 28055 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 28055 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 28055 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 28055 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM Tris (pH6.8), 50 mM NaCl, 1mM DTT' _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 p50NTD [U-15N] . . 1 $p50NTD . . 0.8 0.7 0.9 mM . . . . 28055 2 2 Tris 'natural abundance' . . . . . . 20 . . mM . . . . 28055 2 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 28055 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 28055 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 28055 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM Tris (pH6.8), 50 mM NaCl, 1mM DTT' _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 p50NTD [15N-Lys] . . 1 $p50NTD . . 0.3 0.2 0.4 mM . . . . 28055 3 2 Tris 'natural abundance' . . . . . . 20 . . mM . . . . 28055 3 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 28055 3 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 28055 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 28055 _Sample.ID 4 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM Tris (pH6.8), 50 mM NaCl, 1mM DTT' _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 p50NTD [15N-Ile] . . 1 $p50NTD . . 0.075 0.05 0.1 mM . . . . 28055 4 2 Tris 'natural abundance' . . . . . . 20 . . mM . . . . 28055 4 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 28055 4 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 28055 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 28055 _Sample.ID 5 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM Tris (pH6.8), 50 mM NaCl, 1mM DTT' _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 p50NTD '[U-15N, 14N-ARG]' . . 1 $p50NTD . . 0.3 0.2 0.4 mM . . . . 28055 5 2 Tris 'natural abundance' . . . . . . 20 . . mM . . . . 28055 5 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 28055 5 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 28055 5 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 28055 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 28055 1 pH 6.8 . pH 28055 1 pressure 1 . atm 28055 1 temperature 298 . K 28055 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 28055 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 28055 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 28055 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 28055 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 28055 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 28055 2 'data analysis' . 28055 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 28055 _Software.ID 3 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 28055 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 28055 3 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 28055 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 28055 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Ascend _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 28055 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 28055 1 2 spectrometer_2 Bruker Ascend . 800 . . . 28055 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 28055 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28055 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28055 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28055 1 4 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28055 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28055 1 6 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28055 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28055 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 28055 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28055 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 28055 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 28055 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 28055 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 28055 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 28055 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 28055 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 28055 1 2 '3D CBCA(CO)NH' . . . 28055 1 3 '3D HNCO' . . . 28055 1 4 '3D HNCA' . . . 28055 1 5 '3D HNCACB' . . . 28055 1 6 '3D HN(CO)CA' . . . 28055 1 7 '3D 1H-15N NOESY' . . . 28055 1 8 '2D 1H-15N HSQC' . . . 28055 1 9 '2D 1H-15N HSQC' . . . 28055 1 10 '2D 1H-15N HSQC' . . . 28055 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 PRO C C 13 176.726 . . 1 . . . . . 40 PRO C . 28055 1 2 . 1 . 1 3 3 TYR H H 1 7.946 . . 1 . . . . . 41 TYR H . 28055 1 3 . 1 . 1 3 3 TYR C C 13 172.036 . . 1 . . . . . 41 TYR C . 28055 1 4 . 1 . 1 3 3 TYR CA C 13 56.003 . . 1 . . . . . 41 TYR CA . 28055 1 5 . 1 . 1 3 3 TYR CB C 13 38.463 . . 1 . . . . . 41 TYR CB . 28055 1 6 . 1 . 1 3 3 TYR N N 15 116.112 . . 1 . . . . . 41 TYR N . 28055 1 7 . 1 . 1 4 4 LEU H H 1 9.095 . . 1 . . . . . 42 LEU H . 28055 1 8 . 1 . 1 4 4 LEU C C 13 175.269 . . 1 . . . . . 42 LEU C . 28055 1 9 . 1 . 1 4 4 LEU CA C 13 52.996 . . 1 . . . . . 42 LEU CA . 28055 1 10 . 1 . 1 4 4 LEU CB C 13 44.362 . . 1 . . . . . 42 LEU CB . 28055 1 11 . 1 . 1 4 4 LEU N N 15 122.354 . . 1 . . . . . 42 LEU N . 28055 1 12 . 1 . 1 5 5 GLN H H 1 8.862 . . 1 . . . . . 43 GLN H . 28055 1 13 . 1 . 1 5 5 GLN C C 13 176.143 . . 1 . . . . . 43 GLN C . 28055 1 14 . 1 . 1 5 5 GLN CA C 13 53.286 . . 1 . . . . . 43 GLN CA . 28055 1 15 . 1 . 1 5 5 GLN CB C 13 32.504 . . 1 . . . . . 43 GLN CB . 28055 1 16 . 1 . 1 5 5 GLN N N 15 122.113 . . 1 . . . . . 43 GLN N . 28055 1 17 . 1 . 1 6 6 ILE H H 1 9.281 . . 1 . . . . . 44 ILE H . 28055 1 18 . 1 . 1 6 6 ILE C C 13 176.063 . . 1 . . . . . 44 ILE C . 28055 1 19 . 1 . 1 6 6 ILE CA C 13 62.247 . . 1 . . . . . 44 ILE CA . 28055 1 20 . 1 . 1 6 6 ILE CB C 13 36.23 . . 1 . . . . . 44 ILE CB . 28055 1 21 . 1 . 1 6 6 ILE N N 15 126.08 . . 1 . . . . . 44 ILE N . 28055 1 22 . 1 . 1 7 7 LEU H H 1 8.303 . . 1 . . . . . 45 LEU H . 28055 1 23 . 1 . 1 7 7 LEU C C 13 177.441 . . 1 . . . . . 45 LEU C . 28055 1 24 . 1 . 1 7 7 LEU CA C 13 54.962 . . 1 . . . . . 45 LEU CA . 28055 1 25 . 1 . 1 7 7 LEU CB C 13 42.374 . . 1 . . . . . 45 LEU CB . 28055 1 26 . 1 . 1 7 7 LEU N N 15 130.382 . . 1 . . . . . 45 LEU N . 28055 1 27 . 1 . 1 8 8 GLU H H 1 7.709 . . 1 . . . . . 46 GLU H . 28055 1 28 . 1 . 1 8 8 GLU C C 13 176.063 . . 1 . . . . . 46 GLU C . 28055 1 29 . 1 . 1 8 8 GLU CA C 13 55.14 . . 1 . . . . . 46 GLU CA . 28055 1 30 . 1 . 1 8 8 GLU N N 15 120.594 . . 1 . . . . . 46 GLU N . 28055 1 31 . 1 . 1 9 9 GLN H H 1 8.775 . . 1 . . . . . 47 GLN H . 28055 1 32 . 1 . 1 9 9 GLN CA C 13 54.384 . . 1 . . . . . 47 GLN CA . 28055 1 33 . 1 . 1 9 9 GLN N N 15 126.375 . . 1 . . . . . 47 GLN N . 28055 1 34 . 1 . 1 10 10 PRO C C 13 175.931 . . 1 . . . . . 48 PRO C . 28055 1 35 . 1 . 1 11 11 LYS H H 1 8.133 . . 1 . . . . . 49 LYS H . 28055 1 36 . 1 . 1 11 11 LYS C C 13 177.504 . . 1 . . . . . 49 LYS C . 28055 1 37 . 1 . 1 11 11 LYS CA C 13 56.329 . . 1 . . . . . 49 LYS CA . 28055 1 38 . 1 . 1 11 11 LYS N N 15 122.85 . . 1 . . . . . 49 LYS N . 28055 1 39 . 1 . 1 12 12 GLN H H 1 8.45 . . 1 . . . . . 50 GLN H . 28055 1 40 . 1 . 1 12 12 GLN CA C 13 59.321 . . 1 . . . . . 50 GLN CA . 28055 1 41 . 1 . 1 12 12 GLN CB C 13 31.516 . . 1 . . . . . 50 GLN CB . 28055 1 42 . 1 . 1 12 12 GLN N N 15 122.802 . . 1 . . . . . 50 GLN N . 28055 1 43 . 1 . 1 32 32 ALA H H 1 8.89 . . 1 . . . . . 70 ALA H . 28055 1 44 . 1 . 1 32 32 ALA C C 13 179.694 . . 1 . . . . . 70 ALA C . 28055 1 45 . 1 . 1 32 32 ALA CA C 13 55.387 . . 1 . . . . . 70 ALA CA . 28055 1 46 . 1 . 1 32 32 ALA N N 15 124.314 . . 1 . . . . . 70 ALA N . 28055 1 47 . 1 . 1 33 33 SER H H 1 9.189 . . 1 . . . . . 71 SER H . 28055 1 48 . 1 . 1 33 33 SER C C 13 175.428 . . 1 . . . . . 71 SER C . 28055 1 49 . 1 . 1 33 33 SER CA C 13 58.2 . . 1 . . . . . 71 SER CA . 28055 1 50 . 1 . 1 33 33 SER CB C 13 62.646 . . 1 . . . . . 71 SER CB . 28055 1 51 . 1 . 1 33 33 SER N N 15 113.671 . . 1 . . . . . 71 SER N . 28055 1 52 . 1 . 1 34 34 SER H H 1 7.624 . . 1 . . . . . 72 SER H . 28055 1 53 . 1 . 1 34 34 SER CA C 13 59.582 . . 1 . . . . . 72 SER CA . 28055 1 54 . 1 . 1 34 34 SER CB C 13 63.351 . . 1 . . . . . 72 SER CB . 28055 1 55 . 1 . 1 34 34 SER N N 15 117.788 . . 1 . . . . . 72 SER N . 28055 1 56 . 1 . 1 37 37 ASN C C 13 175.232 . . 1 . . . . . 75 ASN C . 28055 1 57 . 1 . 1 38 38 LYS H H 1 7.837 . . 1 . . . . . 76 LYS H . 28055 1 58 . 1 . 1 38 38 LYS CA C 13 55.566 . . 1 . . . . . 76 LYS CA . 28055 1 59 . 1 . 1 38 38 LYS N N 15 122.091 . . 1 . . . . . 76 LYS N . 28055 1 60 . 1 . 1 39 39 LYS H H 1 8.634 . . 1 . . . . . 77 LYS H . 28055 1 61 . 1 . 1 39 39 LYS C C 13 176.726 . . 1 . . . . . 77 LYS C . 28055 1 62 . 1 . 1 39 39 LYS N N 15 127.015 . . 1 . . . . . 77 LYS N . 28055 1 63 . 1 . 1 40 40 SER H H 1 7.852 . . 1 . . . . . 78 SER H . 28055 1 64 . 1 . 1 40 40 SER CA C 13 56.328 . . 1 . . . . . 78 SER CA . 28055 1 65 . 1 . 1 40 40 SER N N 15 116.853 . . 1 . . . . . 78 SER N . 28055 1 66 . 1 . 1 42 42 PRO C C 13 176.593 . . 1 . . . . . 80 PRO C . 28055 1 67 . 1 . 1 43 43 GLN H H 1 8.553 . . 1 . . . . . 81 GLN H . 28055 1 68 . 1 . 1 43 43 GLN C C 13 176.54 . . 1 . . . . . 81 GLN C . 28055 1 69 . 1 . 1 43 43 GLN CA C 13 54.512 . . 1 . . . . . 81 GLN CA . 28055 1 70 . 1 . 1 43 43 GLN N N 15 119.604 . . 1 . . . . . 81 GLN N . 28055 1 71 . 1 . 1 44 44 VAL H H 1 9.135 . . 1 . . . . . 82 VAL H . 28055 1 72 . 1 . 1 44 44 VAL C C 13 172.513 . . 1 . . . . . 82 VAL C . 28055 1 73 . 1 . 1 44 44 VAL CA C 13 58.277 . . 1 . . . . . 82 VAL CA . 28055 1 74 . 1 . 1 44 44 VAL CB C 13 34.062 . . 1 . . . . . 82 VAL CB . 28055 1 75 . 1 . 1 44 44 VAL N N 15 117.831 . . 1 . . . . . 82 VAL N . 28055 1 76 . 1 . 1 45 45 LYS H H 1 9.097 . . 1 . . . . . 83 LYS H . 28055 1 77 . 1 . 1 45 45 LYS C C 13 176.116 . . 1 . . . . . 83 LYS C . 28055 1 78 . 1 . 1 45 45 LYS CA C 13 53.808 . . 1 . . . . . 83 LYS CA . 28055 1 79 . 1 . 1 45 45 LYS CB C 13 36.772 . . 1 . . . . . 83 LYS CB . 28055 1 80 . 1 . 1 45 45 LYS N N 15 121.528 . . 1 . . . . . 83 LYS N . 28055 1 81 . 1 . 1 46 46 ILE H H 1 7.926 . . 1 . . . . . 84 ILE H . 28055 1 82 . 1 . 1 46 46 ILE C C 13 174.818 . . 1 . . . . . 84 ILE C . 28055 1 83 . 1 . 1 46 46 ILE CA C 13 60.823 . . 1 . . . . . 84 ILE CA . 28055 1 84 . 1 . 1 46 46 ILE CB C 13 36.643 . . 1 . . . . . 84 ILE CB . 28055 1 85 . 1 . 1 46 46 ILE N N 15 125.261 . . 1 . . . . . 84 ILE N . 28055 1 86 . 1 . 1 47 47 CYS H H 1 8.882 . . 1 . . . . . 85 CYS H . 28055 1 87 . 1 . 1 47 47 CYS C C 13 174.871 . . 1 . . . . . 85 CYS C . 28055 1 88 . 1 . 1 47 47 CYS CA C 13 57.66 . . 1 . . . . . 85 CYS CA . 28055 1 89 . 1 . 1 47 47 CYS CB C 13 28.279 . . 1 . . . . . 85 CYS CB . 28055 1 90 . 1 . 1 47 47 CYS N N 15 125.517 . . 1 . . . . . 85 CYS N . 28055 1 91 . 1 . 1 48 48 ASN H H 1 8.904 . . 1 . . . . . 86 ASN H . 28055 1 92 . 1 . 1 48 48 ASN C C 13 173.546 . . 1 . . . . . 86 ASN C . 28055 1 93 . 1 . 1 48 48 ASN CA C 13 53.266 . . 1 . . . . . 86 ASN CA . 28055 1 94 . 1 . 1 48 48 ASN CB C 13 34.719 . . 1 . . . . . 86 ASN CB . 28055 1 95 . 1 . 1 48 48 ASN N N 15 115.71 . . 1 . . . . . 86 ASN N . 28055 1 96 . 1 . 1 49 49 TYR H H 1 7.159 . . 1 . . . . . 87 TYR H . 28055 1 97 . 1 . 1 49 49 TYR C C 13 173.573 . . 1 . . . . . 87 TYR C . 28055 1 98 . 1 . 1 49 49 TYR CA C 13 58.122 . . 1 . . . . . 87 TYR CA . 28055 1 99 . 1 . 1 49 49 TYR CB C 13 40.206 . . 1 . . . . . 87 TYR CB . 28055 1 100 . 1 . 1 49 49 TYR N N 15 115.624 . . 1 . . . . . 87 TYR N . 28055 1 101 . 1 . 1 50 50 VAL H H 1 7.454 . . 1 . . . . . 88 VAL H . 28055 1 102 . 1 . 1 50 50 VAL C C 13 174.05 . . 1 . . . . . 88 VAL C . 28055 1 103 . 1 . 1 50 50 VAL CA C 13 60.474 . . 1 . . . . . 88 VAL CA . 28055 1 104 . 1 . 1 50 50 VAL CB C 13 33.339 . . 1 . . . . . 88 VAL CB . 28055 1 105 . 1 . 1 50 50 VAL N N 15 128.36 . . 1 . . . . . 88 VAL N . 28055 1 106 . 1 . 1 51 51 GLY H H 1 7.607 . . 1 . . . . . 89 GLY H . 28055 1 107 . 1 . 1 51 51 GLY CA C 13 44.208 . . 1 . . . . . 89 GLY CA . 28055 1 108 . 1 . 1 51 51 GLY N N 15 117.054 . . 1 . . . . . 89 GLY N . 28055 1 109 . 1 . 1 52 52 PRO C C 13 178.74 . . 1 . . . . . 90 PRO C . 28055 1 110 . 1 . 1 53 53 ALA H H 1 8.147 . . 1 . . . . . 91 ALA H . 28055 1 111 . 1 . 1 53 53 ALA C C 13 174.686 . . 1 . . . . . 91 ALA C . 28055 1 112 . 1 . 1 53 53 ALA CA C 13 51.52 . . 1 . . . . . 91 ALA CA . 28055 1 113 . 1 . 1 53 53 ALA CB C 13 22.135 . . 1 . . . . . 91 ALA CB . 28055 1 114 . 1 . 1 53 53 ALA N N 15 121.657 . . 1 . . . . . 91 ALA N . 28055 1 115 . 1 . 1 54 54 LYS H H 1 8.48 . . 1 . . . . . 92 LYS H . 28055 1 116 . 1 . 1 54 54 LYS C C 13 175.375 . . 1 . . . . . 92 LYS C . 28055 1 117 . 1 . 1 54 54 LYS CA C 13 54.231 . . 1 . . . . . 92 LYS CA . 28055 1 118 . 1 . 1 54 54 LYS CB C 13 34.423 . . 1 . . . . . 92 LYS CB . 28055 1 119 . 1 . 1 54 54 LYS N N 15 122.129 . . 1 . . . . . 92 LYS N . 28055 1 120 . 1 . 1 55 55 VAL H H 1 9.145 . . 1 . . . . . 93 VAL H . 28055 1 121 . 1 . 1 55 55 VAL CA C 13 60.512 . . 1 . . . . . 93 VAL CA . 28055 1 122 . 1 . 1 55 55 VAL CB C 13 33.06 . . 1 . . . . . 93 VAL CB . 28055 1 123 . 1 . 1 55 55 VAL N N 15 125.593 . . 1 . . . . . 93 VAL N . 28055 1 124 . 1 . 1 56 56 ILE H H 1 9.076 . . 1 . . . . . 94 ILE H . 28055 1 125 . 1 . 1 56 56 ILE CA C 13 58.498 . . 1 . . . . . 94 ILE CA . 28055 1 126 . 1 . 1 56 56 ILE N N 15 120.689 . . 1 . . . . . 94 ILE N . 28055 1 127 . 1 . 1 57 57 VAL H H 1 8.901 . . 1 . . . . . 95 VAL H . 28055 1 128 . 1 . 1 57 57 VAL C C 13 175.772 . . 1 . . . . . 95 VAL C . 28055 1 129 . 1 . 1 57 57 VAL CA C 13 59.157 . . 1 . . . . . 95 VAL CA . 28055 1 130 . 1 . 1 57 57 VAL N N 15 121.463 . . 1 . . . . . 95 VAL N . 28055 1 131 . 1 . 1 58 58 GLN H H 1 8.454 . . 1 . . . . . 96 GLN H . 28055 1 132 . 1 . 1 58 58 GLN C C 13 175.565 . . 1 . . . . . 96 GLN C . 28055 1 133 . 1 . 1 58 58 GLN CA C 13 52.4 . . 1 . . . . . 96 GLN CA . 28055 1 134 . 1 . 1 58 58 GLN CB C 13 33.558 . . 1 . . . . . 96 GLN CB . 28055 1 135 . 1 . 1 58 58 GLN N N 15 121.005 . . 1 . . . . . 96 GLN N . 28055 1 136 . 1 . 1 59 59 LEU H H 1 8.832 . . 1 . . . . . 97 LEU H . 28055 1 137 . 1 . 1 59 59 LEU C C 13 177.335 . . 1 . . . . . 97 LEU C . 28055 1 138 . 1 . 1 59 59 LEU CA C 13 53.306 . . 1 . . . . . 97 LEU CA . 28055 1 139 . 1 . 1 59 59 LEU CB C 13 41.973 . . 1 . . . . . 97 LEU CB . 28055 1 140 . 1 . 1 59 59 LEU N N 15 121.918 . . 1 . . . . . 97 LEU N . 28055 1 141 . 1 . 1 60 60 VAL H H 1 8.934 . . 1 . . . . . 98 VAL H . 28055 1 142 . 1 . 1 60 60 VAL C C 13 175.931 . . 1 . . . . . 98 VAL C . 28055 1 143 . 1 . 1 60 60 VAL CA C 13 58.297 . . 1 . . . . . 98 VAL CA . 28055 1 144 . 1 . 1 60 60 VAL CB C 13 34.746 . . 1 . . . . . 98 VAL CB . 28055 1 145 . 1 . 1 60 60 VAL N N 15 116.924 . . 1 . . . . . 98 VAL N . 28055 1 146 . 1 . 1 61 61 THR H H 1 8.79 . . 1 . . . . . 99 THR H . 28055 1 147 . 1 . 1 61 61 THR C C 13 175.852 . . 1 . . . . . 99 THR C . 28055 1 148 . 1 . 1 61 61 THR CA C 13 60.281 . . 1 . . . . . 99 THR CA . 28055 1 149 . 1 . 1 61 61 THR CB C 13 70.474 . . 1 . . . . . 99 THR CB . 28055 1 150 . 1 . 1 61 61 THR N N 15 108.793 . . 1 . . . . . 99 THR N . 28055 1 151 . 1 . 1 62 62 ASN H H 1 8.876 . . 1 . . . . . 100 ASN H . 28055 1 152 . 1 . 1 62 62 ASN C C 13 175.904 . . 1 . . . . . 100 ASN C . 28055 1 153 . 1 . 1 62 62 ASN CA C 13 51.686 . . 1 . . . . . 100 ASN CA . 28055 1 154 . 1 . 1 62 62 ASN CB C 13 40.838 . . 1 . . . . . 100 ASN CB . 28055 1 155 . 1 . 1 62 62 ASN N N 15 116.204 . . 1 . . . . . 100 ASN N . 28055 1 156 . 1 . 1 63 63 GLY H H 1 7.281 . . 1 . . . . . 101 GLY H . 28055 1 157 . 1 . 1 63 63 GLY C C 13 173.405 . . 1 . . . . . 101 GLY C . 28055 1 158 . 1 . 1 63 63 GLY CA C 13 43.751 . . 1 . . . . . 101 GLY CA . 28055 1 159 . 1 . 1 63 63 GLY N N 15 107.896 . . 1 . . . . . 101 GLY N . 28055 1 160 . 1 . 1 64 64 LYS H H 1 8.306 . . 1 . . . . . 102 LYS H . 28055 1 161 . 1 . 1 64 64 LYS C C 13 177.892 . . 1 . . . . . 102 LYS C . 28055 1 162 . 1 . 1 64 64 LYS CA C 13 57.93 . . 1 . . . . . 102 LYS CA . 28055 1 163 . 1 . 1 64 64 LYS N N 15 119.524 . . 1 . . . . . 102 LYS N . 28055 1 164 . 1 . 1 65 65 ASN H H 1 7.966 . . 1 . . . . . 103 ASN H . 28055 1 165 . 1 . 1 65 65 ASN C C 13 173.944 . . 1 . . . . . 103 ASN C . 28055 1 166 . 1 . 1 65 65 ASN CA C 13 51.069 . . 1 . . . . . 103 ASN CA . 28055 1 167 . 1 . 1 65 65 ASN CB C 13 38.399 . . 1 . . . . . 103 ASN CB . 28055 1 168 . 1 . 1 65 65 ASN N N 15 115.524 . . 1 . . . . . 103 ASN N . 28055 1 169 . 1 . 1 66 66 ILE H H 1 7.94 . . 1 . . . . . 104 ILE H . 28055 1 170 . 1 . 1 66 66 ILE C C 13 173.97 . . 1 . . . . . 104 ILE C . 28055 1 171 . 1 . 1 66 66 ILE CA C 13 61.806 . . 1 . . . . . 104 ILE CA . 28055 1 172 . 1 . 1 66 66 ILE CB C 13 36.841 . . 1 . . . . . 104 ILE CB . 28055 1 173 . 1 . 1 66 66 ILE N N 15 123.157 . . 1 . . . . . 104 ILE N . 28055 1 174 . 1 . 1 67 67 HIS H H 1 7.723 . . 1 . . . . . 105 HIS H . 28055 1 175 . 1 . 1 67 67 HIS C C 13 175.004 . . 1 . . . . . 105 HIS C . 28055 1 176 . 1 . 1 67 67 HIS CA C 13 51.801 . . 1 . . . . . 105 HIS CA . 28055 1 177 . 1 . 1 67 67 HIS CB C 13 32.887 . . 1 . . . . . 105 HIS CB . 28055 1 178 . 1 . 1 67 67 HIS N N 15 121.945 . . 1 . . . . . 105 HIS N . 28055 1 179 . 1 . 1 68 68 LEU H H 1 9.143 . . 1 . . . . . 106 LEU H . 28055 1 180 . 1 . 1 68 68 LEU C C 13 175.216 . . 1 . . . . . 106 LEU C . 28055 1 181 . 1 . 1 68 68 LEU CA C 13 55.771 . . 1 . . . . . 106 LEU CA . 28055 1 182 . 1 . 1 68 68 LEU CB C 13 41.169 . . 1 . . . . . 106 LEU CB . 28055 1 183 . 1 . 1 68 68 LEU N N 15 121.081 . . 1 . . . . . 106 LEU N . 28055 1 184 . 1 . 1 69 69 HIS H H 1 8.406 . . 1 . . . . . 107 HIS H . 28055 1 185 . 1 . 1 69 69 HIS C C 13 175.004 . . 1 . . . . . 107 HIS C . 28055 1 186 . 1 . 1 69 69 HIS CA C 13 56.182 . . 1 . . . . . 107 HIS CA . 28055 1 187 . 1 . 1 69 69 HIS CB C 13 31.905 . . 1 . . . . . 107 HIS CB . 28055 1 188 . 1 . 1 69 69 HIS N N 15 121.79 . . 1 . . . . . 107 HIS N . 28055 1 189 . 1 . 1 70 70 ALA H H 1 6.903 . . 1 . . . . . 108 ALA H . 28055 1 190 . 1 . 1 70 70 ALA C C 13 178.66 . . 1 . . . . . 108 ALA C . 28055 1 191 . 1 . 1 70 70 ALA CA C 13 52.264 . . 1 . . . . . 108 ALA CA . 28055 1 192 . 1 . 1 70 70 ALA CB C 13 20.328 . . 1 . . . . . 108 ALA CB . 28055 1 193 . 1 . 1 70 70 ALA N N 15 123.948 . . 1 . . . . . 108 ALA N . 28055 1 194 . 1 . 1 71 71 HIS H H 1 10.187 . . 1 . . . . . 109 HIS H . 28055 1 195 . 1 . 1 71 71 HIS C C 13 175.481 . . 1 . . . . . 109 HIS C . 28055 1 196 . 1 . 1 71 71 HIS CA C 13 55.232 . . 1 . . . . . 109 HIS CA . 28055 1 197 . 1 . 1 71 71 HIS CB C 13 29.815 . . 1 . . . . . 109 HIS CB . 28055 1 198 . 1 . 1 71 71 HIS N N 15 121.657 . . 1 . . . . . 109 HIS N . 28055 1 199 . 1 . 1 72 72 SER H H 1 8.433 . . 1 . . . . . 110 SER H . 28055 1 200 . 1 . 1 72 72 SER C C 13 174.341 . . 1 . . . . . 110 SER C . 28055 1 201 . 1 . 1 72 72 SER CA C 13 57.891 . . 1 . . . . . 110 SER CA . 28055 1 202 . 1 . 1 72 72 SER CB C 13 65.685 . . 1 . . . . . 110 SER CB . 28055 1 203 . 1 . 1 72 72 SER N N 15 112.846 . . 1 . . . . . 110 SER N . 28055 1 204 . 1 . 1 73 73 LEU H H 1 7.614 . . 1 . . . . . 111 LEU H . 28055 1 205 . 1 . 1 73 73 LEU C C 13 176.62 . . 1 . . . . . 111 LEU C . 28055 1 206 . 1 . 1 73 73 LEU CA C 13 54.09 . . 1 . . . . . 111 LEU CA . 28055 1 207 . 1 . 1 73 73 LEU CB C 13 41.109 . . 1 . . . . . 111 LEU CB . 28055 1 208 . 1 . 1 73 73 LEU N N 15 124.336 . . 1 . . . . . 111 LEU N . 28055 1 209 . 1 . 1 74 74 VAL H H 1 8.151 . . 1 . . . . . 112 VAL H . 28055 1 210 . 1 . 1 74 74 VAL C C 13 174.5 . . 1 . . . . . 112 VAL C . 28055 1 211 . 1 . 1 74 74 VAL CA C 13 58.839 . . 1 . . . . . 112 VAL CA . 28055 1 212 . 1 . 1 74 74 VAL CB C 13 34.514 . . 1 . . . . . 112 VAL CB . 28055 1 213 . 1 . 1 74 74 VAL N N 15 116.034 . . 1 . . . . . 112 VAL N . 28055 1 214 . 1 . 1 75 75 GLY H H 1 8.21 . . 1 . . . . . 113 GLY H . 28055 1 215 . 1 . 1 75 75 GLY C C 13 175.072 . . 1 . . . . . 113 GLY C . 28055 1 216 . 1 . 1 75 75 GLY CA C 13 42.436 . . 1 . . . . . 113 GLY CA . 28055 1 217 . 1 . 1 75 75 GLY N N 15 107.61 . . 1 . . . . . 113 GLY N . 28055 1 218 . 1 . 1 76 76 LYS H H 1 8.034 . . 1 . . . . . 114 LYS H . 28055 1 219 . 1 . 1 76 76 LYS C C 13 177.945 . . 1 . . . . . 114 LYS C . 28055 1 220 . 1 . 1 76 76 LYS CA C 13 57.643 . . 1 . . . . . 114 LYS CA . 28055 1 221 . 1 . 1 76 76 LYS N N 15 121.935 . . 1 . . . . . 114 LYS N . 28055 1 222 . 1 . 1 77 77 HIS H H 1 8.822 . . 1 . . . . . 115 HIS H . 28055 1 223 . 1 . 1 77 77 HIS C C 13 175.295 . . 1 . . . . . 115 HIS C . 28055 1 224 . 1 . 1 77 77 HIS CA C 13 57.265 . . 1 . . . . . 115 HIS CA . 28055 1 225 . 1 . 1 77 77 HIS CB C 13 26.863 . . 1 . . . . . 115 HIS CB . 28055 1 226 . 1 . 1 77 77 HIS N N 15 116.294 . . 1 . . . . . 115 HIS N . 28055 1 227 . 1 . 1 78 78 CYS H H 1 7.79 . . 1 . . . . . 116 CYS H . 28055 1 228 . 1 . 1 78 78 CYS C C 13 175.904 . . 1 . . . . . 116 CYS C . 28055 1 229 . 1 . 1 78 78 CYS CA C 13 57.968 . . 1 . . . . . 116 CYS CA . 28055 1 230 . 1 . 1 78 78 CYS CB C 13 29.286 . . 1 . . . . . 116 CYS CB . 28055 1 231 . 1 . 1 78 78 CYS N N 15 115.553 . . 1 . . . . . 116 CYS N . 28055 1 232 . 1 . 1 79 79 GLU H H 1 8.682 . . 1 . . . . . 117 GLU H . 28055 1 233 . 1 . 1 79 79 GLU C C 13 176.593 . . 1 . . . . . 117 GLU C . 28055 1 234 . 1 . 1 79 79 GLU CA C 13 55.81 . . 1 . . . . . 117 GLU CA . 28055 1 235 . 1 . 1 79 79 GLU CB C 13 31.713 . . 1 . . . . . 117 GLU CB . 28055 1 236 . 1 . 1 79 79 GLU N N 15 123.357 . . 1 . . . . . 117 GLU N . 28055 1 237 . 1 . 1 80 80 ASP H H 1 9.492 . . 1 . . . . . 118 ASP H . 28055 1 238 . 1 . 1 80 80 ASP C C 13 175.957 . . 1 . . . . . 118 ASP C . 28055 1 239 . 1 . 1 80 80 ASP CA C 13 55.27 . . 1 . . . . . 118 ASP CA . 28055 1 240 . 1 . 1 80 80 ASP CB C 13 39.031 . . 1 . . . . . 118 ASP CB . 28055 1 241 . 1 . 1 80 80 ASP N N 15 124.398 . . 1 . . . . . 118 ASP N . 28055 1 242 . 1 . 1 81 81 GLY H H 1 8.904 . . 1 . . . . . 119 GLY H . 28055 1 243 . 1 . 1 81 81 GLY C C 13 174.659 . . 1 . . . . . 119 GLY C . 28055 1 244 . 1 . 1 81 81 GLY CA C 13 45.387 . . 1 . . . . . 119 GLY CA . 28055 1 245 . 1 . 1 81 81 GLY N N 15 101.802 . . 1 . . . . . 119 GLY N . 28055 1 246 . 1 . 1 82 82 VAL H H 1 7.772 . . 1 . . . . . 120 VAL H . 28055 1 247 . 1 . 1 82 82 VAL C C 13 176.143 . . 1 . . . . . 120 VAL C . 28055 1 248 . 1 . 1 82 82 VAL CA C 13 60.358 . . 1 . . . . . 120 VAL CA . 28055 1 249 . 1 . 1 82 82 VAL CB C 13 34.785 . . 1 . . . . . 120 VAL CB . 28055 1 250 . 1 . 1 82 82 VAL N N 15 121.009 . . 1 . . . . . 120 VAL N . 28055 1 251 . 1 . 1 83 83 CYS H H 1 8.238 . . 1 . . . . . 121 CYS H . 28055 1 252 . 1 . 1 83 83 CYS C C 13 174.633 . . 1 . . . . . 121 CYS C . 28055 1 253 . 1 . 1 83 83 CYS CA C 13 57.005 . . 1 . . . . . 121 CYS CA . 28055 1 254 . 1 . 1 83 83 CYS CB C 13 28.279 . . 1 . . . . . 121 CYS CB . 28055 1 255 . 1 . 1 83 83 CYS N N 15 128.532 . . 1 . . . . . 121 CYS N . 28055 1 256 . 1 . 1 84 84 THR H H 1 8.494 . . 1 . . . . . 122 THR H . 28055 1 257 . 1 . 1 84 84 THR C C 13 174.103 . . 1 . . . . . 122 THR C . 28055 1 258 . 1 . 1 84 84 THR CA C 13 61.476 . . 1 . . . . . 122 THR CA . 28055 1 259 . 1 . 1 84 84 THR CB C 13 69.751 . . 1 . . . . . 122 THR CB . 28055 1 260 . 1 . 1 84 84 THR N N 15 124.781 . . 1 . . . . . 122 THR N . 28055 1 261 . 1 . 1 85 85 VAL H H 1 9.254 . . 1 . . . . . 123 VAL H . 28055 1 262 . 1 . 1 85 85 VAL C C 13 175.454 . . 1 . . . . . 123 VAL C . 28055 1 263 . 1 . 1 85 85 VAL CA C 13 58.585 . . 1 . . . . . 123 VAL CA . 28055 1 264 . 1 . 1 85 85 VAL CB C 13 35.056 . . 1 . . . . . 123 VAL CB . 28055 1 265 . 1 . 1 85 85 VAL N N 15 120.688 . . 1 . . . . . 123 VAL N . 28055 1 266 . 1 . 1 86 86 THR H H 1 8.034 . . 1 . . . . . 124 THR H . 28055 1 267 . 1 . 1 86 86 THR C C 13 174.023 . . 1 . . . . . 124 THR C . 28055 1 268 . 1 . 1 86 86 THR CA C 13 60.628 . . 1 . . . . . 124 THR CA . 28055 1 269 . 1 . 1 86 86 THR CB C 13 69.639 . . 1 . . . . . 124 THR CB . 28055 1 270 . 1 . 1 86 86 THR N N 15 115.323 . . 1 . . . . . 124 THR N . 28055 1 271 . 1 . 1 87 87 ALA H H 1 8.692 . . 1 . . . . . 125 ALA H . 28055 1 272 . 1 . 1 87 87 ALA C C 13 177.839 . . 1 . . . . . 125 ALA C . 28055 1 273 . 1 . 1 87 87 ALA CA C 13 49.181 . . 1 . . . . . 125 ALA CA . 28055 1 274 . 1 . 1 87 87 ALA CB C 13 21.774 . . 1 . . . . . 125 ALA CB . 28055 1 275 . 1 . 1 87 87 ALA N N 15 125.564 . . 1 . . . . . 125 ALA N . 28055 1 276 . 1 . 1 88 88 GLY H H 1 7.885 . . 1 . . . . . 126 GLY H . 28055 1 277 . 1 . 1 88 88 GLY CA C 13 44.363 . . 1 . . . . . 126 GLY CA . 28055 1 278 . 1 . 1 88 88 GLY N N 15 106.409 . . 1 . . . . . 126 GLY N . 28055 1 279 . 1 . 1 89 89 PRO C C 13 175.189 . . 1 . . . . . 127 PRO C . 28055 1 280 . 1 . 1 90 90 LYS H H 1 8.171 . . 1 . . . . . 128 LYS H . 28055 1 281 . 1 . 1 90 90 LYS C C 13 175.693 . . 1 . . . . . 128 LYS C . 28055 1 282 . 1 . 1 90 90 LYS CA C 13 56.349 . . 1 . . . . . 128 LYS CA . 28055 1 283 . 1 . 1 90 90 LYS N N 15 119.793 . . 1 . . . . . 128 LYS N . 28055 1 284 . 1 . 1 91 91 ASP H H 1 8.46 . . 1 . . . . . 129 ASP H . 28055 1 285 . 1 . 1 91 91 ASP C C 13 177.15 . . 1 . . . . . 129 ASP C . 28055 1 286 . 1 . 1 91 91 ASP CA C 13 53.227 . . 1 . . . . . 129 ASP CA . 28055 1 287 . 1 . 1 91 91 ASP CB C 13 39.754 . . 1 . . . . . 129 ASP CB . 28055 1 288 . 1 . 1 91 91 ASP N N 15 120.226 . . 1 . . . . . 129 ASP N . 28055 1 289 . 1 . 1 92 92 MET H H 1 8.643 . . 1 . . . . . 130 MET H . 28055 1 290 . 1 . 1 92 92 MET C C 13 175.852 . . 1 . . . . . 130 MET C . 28055 1 291 . 1 . 1 92 92 MET CA C 13 52.18 . . 1 . . . . . 130 MET CA . 28055 1 292 . 1 . 1 92 92 MET CB C 13 27.616 . . 1 . . . . . 130 MET CB . 28055 1 293 . 1 . 1 92 92 MET N N 15 123.838 . . 1 . . . . . 130 MET N . 28055 1 294 . 1 . 1 93 93 VAL H H 1 7.637 . . 1 . . . . . 131 VAL H . 28055 1 295 . 1 . 1 93 93 VAL C C 13 176.805 . . 1 . . . . . 131 VAL C . 28055 1 296 . 1 . 1 93 93 VAL CA C 13 61.321 . . 1 . . . . . 131 VAL CA . 28055 1 297 . 1 . 1 93 93 VAL CB C 13 30.912 . . 1 . . . . . 131 VAL CB . 28055 1 298 . 1 . 1 93 93 VAL N N 15 119.816 . . 1 . . . . . 131 VAL N . 28055 1 299 . 1 . 1 94 94 VAL H H 1 9.114 . . 1 . . . . . 132 VAL H . 28055 1 300 . 1 . 1 94 94 VAL C C 13 174.527 . . 1 . . . . . 132 VAL C . 28055 1 301 . 1 . 1 94 94 VAL CA C 13 60.165 . . 1 . . . . . 132 VAL CA . 28055 1 302 . 1 . 1 94 94 VAL CB C 13 32.616 . . 1 . . . . . 132 VAL CB . 28055 1 303 . 1 . 1 94 94 VAL N N 15 127.874 . . 1 . . . . . 132 VAL N . 28055 1 304 . 1 . 1 95 95 GLY H H 1 8.292 . . 1 . . . . . 133 GLY H . 28055 1 305 . 1 . 1 95 95 GLY C C 13 173.679 . . 1 . . . . . 133 GLY C . 28055 1 306 . 1 . 1 95 95 GLY CA C 13 42.975 . . 1 . . . . . 133 GLY CA . 28055 1 307 . 1 . 1 95 95 GLY N N 15 112.803 . . 1 . . . . . 133 GLY N . 28055 1 308 . 1 . 1 96 96 PHE H H 1 8.072 . . 1 . . . . . 134 PHE H . 28055 1 309 . 1 . 1 96 96 PHE C C 13 174.924 . . 1 . . . . . 134 PHE C . 28055 1 310 . 1 . 1 96 96 PHE CA C 13 56.08 . . 1 . . . . . 134 PHE CA . 28055 1 311 . 1 . 1 96 96 PHE CB C 13 38.264 . . 1 . . . . . 134 PHE CB . 28055 1 312 . 1 . 1 96 96 PHE N N 15 120.181 . . 1 . . . . . 134 PHE N . 28055 1 313 . 1 . 1 97 97 ALA H H 1 7.839 . . 1 . . . . . 135 ALA H . 28055 1 314 . 1 . 1 97 97 ALA CA C 13 51.647 . . 1 . . . . . 135 ALA CA . 28055 1 315 . 1 . 1 97 97 ALA CB C 13 18.189 . . 1 . . . . . 135 ALA CB . 28055 1 316 . 1 . 1 97 97 ALA N N 15 124.364 . . 1 . . . . . 135 ALA N . 28055 1 317 . 1 . 1 99 99 LEU H H 1 8.784 . . 1 . . . . . 137 LEU H . 28055 1 318 . 1 . 1 99 99 LEU C C 13 176.514 . . 1 . . . . . 137 LEU C . 28055 1 319 . 1 . 1 99 99 LEU CA C 13 54.084 . . 1 . . . . . 137 LEU CA . 28055 1 320 . 1 . 1 99 99 LEU CB C 13 42.11 . . 1 . . . . . 137 LEU CB . 28055 1 321 . 1 . 1 99 99 LEU N N 15 120.865 . . 1 . . . . . 137 LEU N . 28055 1 322 . 1 . 1 100 100 GLY H H 1 8.875 . . 1 . . . . . 138 GLY H . 28055 1 323 . 1 . 1 100 100 GLY C C 13 179.263 . . 1 . . . . . 138 GLY C . 28055 1 324 . 1 . 1 100 100 GLY CA C 13 42.937 . . 1 . . . . . 138 GLY CA . 28055 1 325 . 1 . 1 100 100 GLY N N 15 110.554 . . 1 . . . . . 138 GLY N . 28055 1 326 . 1 . 1 101 101 ILE H H 1 8.751 . . 1 . . . . . 139 ILE H . 28055 1 327 . 1 . 1 101 101 ILE CA C 13 59.689 . . 1 . . . . . 139 ILE CA . 28055 1 328 . 1 . 1 101 101 ILE N N 15 119.22 . . 1 . . . . . 139 ILE N . 28055 1 329 . 1 . 1 102 102 LEU H H 1 9.269 . . 1 . . . . . 140 LEU H . 28055 1 330 . 1 . 1 102 102 LEU CA C 13 52.033 . . 1 . . . . . 140 LEU CA . 28055 1 331 . 1 . 1 102 102 LEU N N 15 131.278 . . 1 . . . . . 140 LEU N . 28055 1 332 . 1 . 1 108 108 LYS C C 13 178.45 . . 1 . . . . . 146 LYS C . 28055 1 333 . 1 . 1 109 109 VAL H H 1 7.79 . . 1 . . . . . 147 VAL H . 28055 1 334 . 1 . 1 109 109 VAL C C 13 177.017 . . 1 . . . . . 147 VAL C . 28055 1 335 . 1 . 1 109 109 VAL CA C 13 68.118 . . 1 . . . . . 147 VAL CA . 28055 1 336 . 1 . 1 109 109 VAL CB C 13 30.331 . . 1 . . . . . 147 VAL CB . 28055 1 337 . 1 . 1 109 109 VAL N N 15 124.413 . . 1 . . . . . 147 VAL N . 28055 1 338 . 1 . 1 110 110 PHE H H 1 8.728 . . 1 . . . . . 148 PHE H . 28055 1 339 . 1 . 1 110 110 PHE CA C 13 60.936 . . 1 . . . . . 148 PHE CA . 28055 1 340 . 1 . 1 110 110 PHE CB C 13 37.314 . . 1 . . . . . 148 PHE CB . 28055 1 341 . 1 . 1 110 110 PHE N N 15 119.395 . . 1 . . . . . 148 PHE N . 28055 1 342 . 1 . 1 111 111 GLU C C 13 180.992 . . 1 . . . . . 149 GLU C . 28055 1 343 . 1 . 1 112 112 THR H H 1 7.975 . . 1 . . . . . 150 THR H . 28055 1 344 . 1 . 1 112 112 THR C C 13 176.286 . . 1 . . . . . 150 THR C . 28055 1 345 . 1 . 1 112 112 THR CA C 13 66.139 . . 1 . . . . . 150 THR CA . 28055 1 346 . 1 . 1 112 112 THR CB C 13 68.337 . . 1 . . . . . 150 THR CB . 28055 1 347 . 1 . 1 112 112 THR N N 15 117.092 . . 1 . . . . . 150 THR N . 28055 1 348 . 1 . 1 113 113 LEU H H 1 8.769 . . 1 . . . . . 151 LEU H . 28055 1 349 . 1 . 1 113 113 LEU C C 13 179.217 . . 1 . . . . . 151 LEU C . 28055 1 350 . 1 . 1 113 113 LEU CA C 13 57.556 . . 1 . . . . . 151 LEU CA . 28055 1 351 . 1 . 1 113 113 LEU CB C 13 40.996 . . 1 . . . . . 151 LEU CB . 28055 1 352 . 1 . 1 113 113 LEU N N 15 123.244 . . 1 . . . . . 151 LEU N . 28055 1 353 . 1 . 1 114 114 GLU H H 1 8.784 . . 1 . . . . . 152 GLU H . 28055 1 354 . 1 . 1 114 114 GLU C C 13 180.542 . . 1 . . . . . 152 GLU C . 28055 1 355 . 1 . 1 114 114 GLU CA C 13 59.857 . . 1 . . . . . 152 GLU CA . 28055 1 356 . 1 . 1 114 114 GLU CB C 13 27.896 . . 1 . . . . . 152 GLU CB . 28055 1 357 . 1 . 1 114 114 GLU N N 15 118.235 . . 1 . . . . . 152 GLU N . 28055 1 358 . 1 . 1 115 115 ALA H H 1 7.561 . . 1 . . . . . 153 ALA H . 28055 1 359 . 1 . 1 115 115 ALA C C 13 180.78 . . 1 . . . . . 153 ALA C . 28055 1 360 . 1 . 1 115 115 ALA CA C 13 55 . . 1 . . . . . 153 ALA CA . 28055 1 361 . 1 . 1 115 115 ALA CB C 13 16.873 . . 1 . . . . . 153 ALA CB . 28055 1 362 . 1 . 1 115 115 ALA N N 15 123.412 . . 1 . . . . . 153 ALA N . 28055 1 363 . 1 . 1 116 116 ARG H H 1 8.652 . . 1 . . . . . 154 ARG H . 28055 1 364 . 1 . 1 116 116 ARG C C 13 181.363 . . 1 . . . . . 154 ARG C . 28055 1 365 . 1 . 1 116 116 ARG CA C 13 57.39 . . 1 . . . . . 154 ARG CA . 28055 1 366 . 1 . 1 116 116 ARG CB C 13 28.46 . . 1 . . . . . 154 ARG CB . 28055 1 367 . 1 . 1 116 116 ARG N N 15 119.747 . . 1 . . . . . 154 ARG N . 28055 1 368 . 1 . 1 117 117 MET H H 1 9.22 . . 1 . . . . . 155 MET H . 28055 1 369 . 1 . 1 117 117 MET C C 13 178.819 . . 1 . . . . . 155 MET C . 28055 1 370 . 1 . 1 117 117 MET CA C 13 59.279 . . 1 . . . . . 155 MET CA . 28055 1 371 . 1 . 1 117 117 MET CB C 13 33.52 . . 1 . . . . . 155 MET CB . 28055 1 372 . 1 . 1 117 117 MET N N 15 119.479 . . 1 . . . . . 155 MET N . 28055 1 373 . 1 . 1 118 118 THR H H 1 8.095 . . 1 . . . . . 156 THR H . 28055 1 374 . 1 . 1 118 118 THR C C 13 176.648 . . 1 . . . . . 156 THR C . 28055 1 375 . 1 . 1 118 118 THR CA C 13 67.565 . . 1 . . . . . 156 THR CA . 28055 1 376 . 1 . 1 118 118 THR N N 15 118.288 . . 1 . . . . . 156 THR N . 28055 1 377 . 1 . 1 119 119 GLU H H 1 8.076 . . 1 . . . . . 157 GLU H . 28055 1 378 . 1 . 1 119 119 GLU C C 13 179.003 . . 1 . . . . . 157 GLU C . 28055 1 379 . 1 . 1 119 119 GLU CA C 13 58.632 . . 1 . . . . . 157 GLU CA . 28055 1 380 . 1 . 1 119 119 GLU N N 15 120.753 . . 1 . . . . . 157 GLU N . 28055 1 381 . 1 . 1 120 120 ALA H H 1 8.092 . . 1 . . . . . 158 ALA H . 28055 1 382 . 1 . 1 120 120 ALA C C 13 181.496 . . 1 . . . . . 158 ALA C . 28055 1 383 . 1 . 1 120 120 ALA CA C 13 55.046 . . 1 . . . . . 158 ALA CA . 28055 1 384 . 1 . 1 120 120 ALA CB C 13 15.833 . . 1 . . . . . 158 ALA CB . 28055 1 385 . 1 . 1 120 120 ALA N N 15 120.217 . . 1 . . . . . 158 ALA N . 28055 1 386 . 1 . 1 121 121 CYS H H 1 7.855 . . 1 . . . . . 159 CYS H . 28055 1 387 . 1 . 1 121 121 CYS CA C 13 63.673 . . 1 . . . . . 159 CYS CA . 28055 1 388 . 1 . 1 121 121 CYS CB C 13 26.924 . . 1 . . . . . 159 CYS CB . 28055 1 389 . 1 . 1 121 121 CYS N N 15 115.315 . . 1 . . . . . 159 CYS N . 28055 1 390 . 1 . 1 122 122 ILE H H 1 8.225 . . 1 . . . . . 160 ILE H . 28055 1 391 . 1 . 1 122 122 ILE C C 13 178.634 . . 1 . . . . . 160 ILE C . 28055 1 392 . 1 . 1 122 122 ILE CA C 13 64.61 . . 1 . . . . . 160 ILE CA . 28055 1 393 . 1 . 1 122 122 ILE CB C 13 37.28 . . 1 . . . . . 160 ILE CB . 28055 1 394 . 1 . 1 122 122 ILE N N 15 119.993 . . 1 . . . . . 160 ILE N . 28055 1 395 . 1 . 1 123 123 ARG H H 1 7.851 . . 1 . . . . . 161 ARG H . 28055 1 396 . 1 . 1 123 123 ARG CA C 13 55.27 . . 1 . . . . . 161 ARG CA . 28055 1 397 . 1 . 1 123 123 ARG CB C 13 27.647 . . 1 . . . . . 161 ARG CB . 28055 1 398 . 1 . 1 123 123 ARG N N 15 113.74 . . 1 . . . . . 161 ARG N . 28055 1 399 . 1 . 1 124 124 GLY H H 1 7.262 . . 1 . . . . . 162 GLY H . 28055 1 400 . 1 . 1 124 124 GLY C C 13 176.191 . . 1 . . . . . 162 GLY C . 28055 1 401 . 1 . 1 124 124 GLY CA C 13 45.442 . . 1 . . . . . 162 GLY CA . 28055 1 402 . 1 . 1 124 124 GLY N N 15 105.985 . . 1 . . . . . 162 GLY N . 28055 1 403 . 1 . 1 125 125 TYR H H 1 8.504 . . 1 . . . . . 163 TYR H . 28055 1 404 . 1 . 1 125 125 TYR C C 13 174.341 . . 1 . . . . . 163 TYR C . 28055 1 405 . 1 . 1 125 125 TYR CA C 13 56.178 . . 1 . . . . . 163 TYR CA . 28055 1 406 . 1 . 1 125 125 TYR N N 15 122.421 . . 1 . . . . . 163 TYR N . 28055 1 407 . 1 . 1 126 126 ASN H H 1 8.127 . . 1 . . . . . 164 ASN H . 28055 1 408 . 1 . 1 126 126 ASN CA C 13 54.422 . . 1 . . . . . 164 ASN CA . 28055 1 409 . 1 . 1 126 126 ASN N N 15 114.288 . . 1 . . . . . 164 ASN N . 28055 1 410 . 1 . 1 127 127 PRO C C 13 179.058 . . 1 . . . . . 165 PRO C . 28055 1 411 . 1 . 1 128 128 GLY H H 1 8.731 . . 1 . . . . . 166 GLY H . 28055 1 412 . 1 . 1 128 128 GLY C C 13 174.474 . . 1 . . . . . 166 GLY C . 28055 1 413 . 1 . 1 128 128 GLY CA C 13 44.632 . . 1 . . . . . 166 GLY CA . 28055 1 414 . 1 . 1 128 128 GLY N N 15 107.414 . . 1 . . . . . 166 GLY N . 28055 1 415 . 1 . 1 129 129 LEU H H 1 6.852 . . 1 . . . . . 167 LEU H . 28055 1 416 . 1 . 1 129 129 LEU CA C 13 55.463 . . 1 . . . . . 167 LEU CA . 28055 1 417 . 1 . 1 129 129 LEU CB C 13 42.826 . . 1 . . . . . 167 LEU CB . 28055 1 418 . 1 . 1 129 129 LEU N N 15 118.784 . . 1 . . . . . 167 LEU N . 28055 1 419 . 1 . 1 133 133 SER C C 13 175.861 . . 1 . . . . . 171 SER C . 28055 1 420 . 1 . 1 134 134 ASP H H 1 8.892 . . 1 . . . . . 172 ASP H . 28055 1 421 . 1 . 1 134 134 ASP C C 13 178.422 . . 1 . . . . . 172 ASP C . 28055 1 422 . 1 . 1 134 134 ASP CA C 13 56.427 . . 1 . . . . . 172 ASP CA . 28055 1 423 . 1 . 1 134 134 ASP CB C 13 39.371 . . 1 . . . . . 172 ASP CB . 28055 1 424 . 1 . 1 134 134 ASP N N 15 124.438 . . 1 . . . . . 172 ASP N . 28055 1 425 . 1 . 1 135 135 LEU H H 1 8.178 . . 1 . . . . . 173 LEU H . 28055 1 426 . 1 . 1 135 135 LEU C C 13 177.6 . . 1 . . . . . 173 LEU C . 28055 1 427 . 1 . 1 135 135 LEU CA C 13 53.382 . . 1 . . . . . 173 LEU CA . 28055 1 428 . 1 . 1 135 135 LEU CB C 13 39.161 . . 1 . . . . . 173 LEU CB . 28055 1 429 . 1 . 1 135 135 LEU N N 15 115.883 . . 1 . . . . . 173 LEU N . 28055 1 430 . 1 . 1 136 136 ALA H H 1 7.528 . . 1 . . . . . 174 ALA H . 28055 1 431 . 1 . 1 136 136 ALA C C 13 179.031 . . 1 . . . . . 174 ALA C . 28055 1 432 . 1 . 1 136 136 ALA CA C 13 54.422 . . 1 . . . . . 174 ALA CA . 28055 1 433 . 1 . 1 136 136 ALA CB C 13 17.527 . . 1 . . . . . 174 ALA CB . 28055 1 434 . 1 . 1 136 136 ALA N N 15 120.609 . . 1 . . . . . 174 ALA N . 28055 1 435 . 1 . 1 137 137 TYR H H 1 7.311 . . 1 . . . . . 175 TYR H . 28055 1 436 . 1 . 1 137 137 TYR C C 13 177.15 . . 1 . . . . . 175 TYR C . 28055 1 437 . 1 . 1 137 137 TYR CA C 13 57.66 . . 1 . . . . . 175 TYR CA . 28055 1 438 . 1 . 1 137 137 TYR CB C 13 35.869 . . 1 . . . . . 175 TYR CB . 28055 1 439 . 1 . 1 137 137 TYR N N 15 113.226 . . 1 . . . . . 175 TYR N . 28055 1 440 . 1 . 1 138 138 LEU H H 1 7.229 . . 1 . . . . . 176 LEU H . 28055 1 441 . 1 . 1 138 138 LEU C C 13 177.362 . . 1 . . . . . 176 LEU C . 28055 1 442 . 1 . 1 138 138 LEU CA C 13 54.692 . . 1 . . . . . 176 LEU CA . 28055 1 443 . 1 . 1 138 138 LEU CB C 13 39.844 . . 1 . . . . . 176 LEU CB . 28055 1 444 . 1 . 1 138 138 LEU N N 15 124.052 . . 1 . . . . . 176 LEU N . 28055 1 445 . 1 . 1 139 139 GLN H H 1 7.914 . . 1 . . . . . 177 GLN H . 28055 1 446 . 1 . 1 139 139 GLN C C 13 176.593 . . 1 . . . . . 177 GLN C . 28055 1 447 . 1 . 1 139 139 GLN CA C 13 54.73 . . 1 . . . . . 177 GLN CA . 28055 1 448 . 1 . 1 139 139 GLN CB C 13 28.899 . . 1 . . . . . 177 GLN CB . 28055 1 449 . 1 . 1 139 139 GLN N N 15 120.689 . . 1 . . . . . 177 GLN N . 28055 1 450 . 1 . 1 140 140 ALA H H 1 8.291 . . 1 . . . . . 178 ALA H . 28055 1 451 . 1 . 1 140 140 ALA C C 13 178.66 . . 1 . . . . . 178 ALA C . 28055 1 452 . 1 . 1 140 140 ALA CA C 13 52.418 . . 1 . . . . . 178 ALA CA . 28055 1 453 . 1 . 1 140 140 ALA CB C 13 18.409 . . 1 . . . . . 178 ALA CB . 28055 1 454 . 1 . 1 140 140 ALA N N 15 123.743 . . 1 . . . . . 178 ALA N . 28055 1 455 . 1 . 1 141 141 GLU H H 1 8.3 . . 1 . . . . . 179 GLU H . 28055 1 456 . 1 . 1 141 141 GLU C C 13 177.68 . . 1 . . . . . 179 GLU C . 28055 1 457 . 1 . 1 141 141 GLU CA C 13 56.003 . . 1 . . . . . 179 GLU CA . 28055 1 458 . 1 . 1 141 141 GLU CB C 13 29.273 . . 1 . . . . . 179 GLU CB . 28055 1 459 . 1 . 1 141 141 GLU N N 15 119.632 . . 1 . . . . . 179 GLU N . 28055 1 460 . 1 . 1 142 142 GLY H H 1 8.564 . . 1 . . . . . 180 GLY H . 28055 1 461 . 1 . 1 142 142 GLY C C 13 175.295 . . 1 . . . . . 180 GLY C . 28055 1 462 . 1 . 1 142 142 GLY CA C 13 44.864 . . 1 . . . . . 180 GLY CA . 28055 1 463 . 1 . 1 142 142 GLY N N 15 110.567 . . 1 . . . . . 180 GLY N . 28055 1 464 . 1 . 1 143 143 GLY H H 1 8.301 . . 1 . . . . . 181 GLY H . 28055 1 465 . 1 . 1 143 143 GLY C C 13 175.534 . . 1 . . . . . 181 GLY C . 28055 1 466 . 1 . 1 143 143 GLY CA C 13 44.698 . . 1 . . . . . 181 GLY CA . 28055 1 467 . 1 . 1 143 143 GLY N N 15 108.553 . . 1 . . . . . 181 GLY N . 28055 1 468 . 1 . 1 144 144 GLY H H 1 8.281 . . 1 . . . . . 182 GLY H . 28055 1 469 . 1 . 1 144 144 GLY C C 13 174.447 . . 1 . . . . . 182 GLY C . 28055 1 470 . 1 . 1 144 144 GLY CA C 13 44.703 . . 1 . . . . . 182 GLY CA . 28055 1 471 . 1 . 1 144 144 GLY N N 15 108.764 . . 1 . . . . . 182 GLY N . 28055 1 472 . 1 . 1 145 145 ASP H H 1 8.229 . . 1 . . . . . 183 ASP H . 28055 1 473 . 1 . 1 145 145 ASP C C 13 176.434 . . 1 . . . . . 183 ASP C . 28055 1 474 . 1 . 1 145 145 ASP CA C 13 53.42 . . 1 . . . . . 183 ASP CA . 28055 1 475 . 1 . 1 145 145 ASP CB C 13 40.025 . . 1 . . . . . 183 ASP CB . 28055 1 476 . 1 . 1 145 145 ASP N N 15 120.335 . . 1 . . . . . 183 ASP N . 28055 1 477 . 1 . 1 146 146 ARG H H 1 7.815 . . 1 . . . . . 184 ARG H . 28055 1 478 . 1 . 1 146 146 ARG C C 13 175.772 . . 1 . . . . . 184 ARG C . 28055 1 479 . 1 . 1 146 146 ARG CA C 13 55.54 . . 1 . . . . . 184 ARG CA . 28055 1 480 . 1 . 1 146 146 ARG CB C 13 30.086 . . 1 . . . . . 184 ARG CB . 28055 1 481 . 1 . 1 146 146 ARG N N 15 121.443 . . 1 . . . . . 184 ARG N . 28055 1 482 . 1 . 1 147 147 GLN H H 1 8.433 . . 1 . . . . . 185 GLN H . 28055 1 483 . 1 . 1 147 147 GLN C C 13 176.991 . . 1 . . . . . 185 GLN C . 28055 1 484 . 1 . 1 147 147 GLN CA C 13 53.651 . . 1 . . . . . 185 GLN CA . 28055 1 485 . 1 . 1 147 147 GLN CB C 13 28.641 . . 1 . . . . . 185 GLN CB . 28055 1 486 . 1 . 1 147 147 GLN N N 15 122.529 . . 1 . . . . . 185 GLN N . 28055 1 487 . 1 . 1 148 148 LEU H H 1 8.667 . . 1 . . . . . 186 LEU H . 28055 1 488 . 1 . 1 148 148 LEU C C 13 178.978 . . 1 . . . . . 186 LEU C . 28055 1 489 . 1 . 1 148 148 LEU CA C 13 53.816 . . 1 . . . . . 186 LEU CA . 28055 1 490 . 1 . 1 148 148 LEU CB C 13 41.209 . . 1 . . . . . 186 LEU CB . 28055 1 491 . 1 . 1 148 148 LEU N N 15 124.346 . . 1 . . . . . 186 LEU N . 28055 1 492 . 1 . 1 149 149 THR H H 1 9.499 . . 1 . . . . . 187 THR H . 28055 1 493 . 1 . 1 149 149 THR C C 13 176.143 . . 1 . . . . . 187 THR C . 28055 1 494 . 1 . 1 149 149 THR CA C 13 59.818 . . 1 . . . . . 187 THR CA . 28055 1 495 . 1 . 1 149 149 THR CB C 13 70.835 . . 1 . . . . . 187 THR CB . 28055 1 496 . 1 . 1 149 149 THR N N 15 114.955 . . 1 . . . . . 187 THR N . 28055 1 497 . 1 . 1 150 150 ASP H H 1 8.894 . . 1 . . . . . 188 ASP H . 28055 1 498 . 1 . 1 150 150 ASP C C 13 179.826 . . 1 . . . . . 188 ASP C . 28055 1 499 . 1 . 1 150 150 ASP CA C 13 57.39 . . 1 . . . . . 188 ASP CA . 28055 1 500 . 1 . 1 150 150 ASP CB C 13 38.804 . . 1 . . . . . 188 ASP CB . 28055 1 501 . 1 . 1 150 150 ASP N N 15 120.601 . . 1 . . . . . 188 ASP N . 28055 1 502 . 1 . 1 151 151 ARG H H 1 8.29 . . 1 . . . . . 189 ARG H . 28055 1 503 . 1 . 1 151 151 ARG C C 13 179.402 . . 1 . . . . . 189 ARG C . 28055 1 504 . 1 . 1 151 151 ARG CA C 13 58.045 . . 1 . . . . . 189 ARG CA . 28055 1 505 . 1 . 1 151 151 ARG CB C 13 28.515 . . 1 . . . . . 189 ARG CB . 28055 1 506 . 1 . 1 151 151 ARG N N 15 120.601 . . 1 . . . . . 189 ARG N . 28055 1 507 . 1 . 1 152 152 GLU H H 1 7.707 . . 1 . . . . . 190 GLU H . 28055 1 508 . 1 . 1 152 152 GLU C C 13 179.296 . . 1 . . . . . 190 GLU C . 28055 1 509 . 1 . 1 152 152 GLU CA C 13 59.394 . . 1 . . . . . 190 GLU CA . 28055 1 510 . 1 . 1 152 152 GLU CB C 13 27.827 . . 1 . . . . . 190 GLU CB . 28055 1 511 . 1 . 1 152 152 GLU N N 15 119.801 . . 1 . . . . . 190 GLU N . 28055 1 512 . 1 . 1 153 153 LYS H H 1 8.362 . . 1 . . . . . 191 LYS H . 28055 1 513 . 1 . 1 153 153 LYS C C 13 180.144 . . 1 . . . . . 191 LYS C . 28055 1 514 . 1 . 1 153 153 LYS CA C 13 59.664 . . 1 . . . . . 191 LYS CA . 28055 1 515 . 1 . 1 153 153 LYS CB C 13 30.99 . . 1 . . . . . 191 LYS CB . 28055 1 516 . 1 . 1 153 153 LYS N N 15 116.451 . . 1 . . . . . 191 LYS N . 28055 1 517 . 1 . 1 154 154 GLU H H 1 7.983 . . 1 . . . . . 192 GLU H . 28055 1 518 . 1 . 1 154 154 GLU C C 13 179.266 . . 1 . . . . . 192 GLU C . 28055 1 519 . 1 . 1 154 154 GLU CA C 13 58.321 . . 1 . . . . . 192 GLU CA . 28055 1 520 . 1 . 1 154 154 GLU CB C 13 28.099 . . 1 . . . . . 192 GLU CB . 28055 1 521 . 1 . 1 154 154 GLU N N 15 121.973 . . 1 . . . . . 192 GLU N . 28055 1 522 . 1 . 1 155 155 ILE H H 1 7.944 . . 1 . . . . . 193 ILE H . 28055 1 523 . 1 . 1 155 155 ILE CA C 13 64.867 . . 1 . . . . . 193 ILE CA . 28055 1 524 . 1 . 1 155 155 ILE CB C 13 36.668 . . 1 . . . . . 193 ILE CB . 28055 1 525 . 1 . 1 155 155 ILE N N 15 122.081 . . 1 . . . . . 193 ILE N . 28055 1 526 . 1 . 1 156 156 ILE H H 1 8.084 . . 1 . . . . . 194 ILE H . 28055 1 527 . 1 . 1 156 156 ILE C C 13 177.309 . . 1 . . . . . 194 ILE C . 28055 1 528 . 1 . 1 156 156 ILE CA C 13 65.253 . . 1 . . . . . 194 ILE CA . 28055 1 529 . 1 . 1 156 156 ILE CB C 13 37.209 . . 1 . . . . . 194 ILE CB . 28055 1 530 . 1 . 1 156 156 ILE N N 15 120.241 . . 1 . . . . . 194 ILE N . 28055 1 531 . 1 . 1 157 157 ARG H H 1 8.153 . . 1 . . . . . 195 ARG H . 28055 1 532 . 1 . 1 157 157 ARG C C 13 179.19 . . 1 . . . . . 195 ARG C . 28055 1 533 . 1 . 1 157 157 ARG CA C 13 59.626 . . 1 . . . . . 195 ARG CA . 28055 1 534 . 1 . 1 157 157 ARG CB C 13 28.55 . . 1 . . . . . 195 ARG CB . 28055 1 535 . 1 . 1 157 157 ARG N N 15 119.251 . . 1 . . . . . 195 ARG N . 28055 1 536 . 1 . 1 158 158 GLN H H 1 8.189 . . 1 . . . . . 196 GLN H . 28055 1 537 . 1 . 1 158 158 GLN C C 13 180.065 . . 1 . . . . . 196 GLN C . 28055 1 538 . 1 . 1 158 158 GLN CA C 13 58.315 . . 1 . . . . . 196 GLN CA . 28055 1 539 . 1 . 1 158 158 GLN CB C 13 26.935 . . 1 . . . . . 196 GLN CB . 28055 1 540 . 1 . 1 158 158 GLN N N 15 116.112 . . 1 . . . . . 196 GLN N . 28055 1 541 . 1 . 1 159 159 ALA H H 1 8.371 . . 1 . . . . . 197 ALA H . 28055 1 542 . 1 . 1 159 159 ALA C C 13 180.303 . . 1 . . . . . 197 ALA C . 28055 1 543 . 1 . 1 159 159 ALA CA C 13 54.384 . . 1 . . . . . 197 ALA CA . 28055 1 544 . 1 . 1 159 159 ALA CB C 13 16.353 . . 1 . . . . . 197 ALA CB . 28055 1 545 . 1 . 1 159 159 ALA N N 15 123.764 . . 1 . . . . . 197 ALA N . 28055 1 546 . 1 . 1 160 160 ALA H H 1 9.058 . . 1 . . . . . 198 ALA H . 28055 1 547 . 1 . 1 160 160 ALA C C 13 182.052 . . 1 . . . . . 198 ALA C . 28055 1 548 . 1 . 1 160 160 ALA CA C 13 55.039 . . 1 . . . . . 198 ALA CA . 28055 1 549 . 1 . 1 160 160 ALA CB C 13 16.528 . . 1 . . . . . 198 ALA CB . 28055 1 550 . 1 . 1 160 160 ALA N N 15 121.677 . . 1 . . . . . 198 ALA N . 28055 1 551 . 1 . 1 161 161 VAL H H 1 8.842 . . 1 . . . . . 199 VAL H . 28055 1 552 . 1 . 1 161 161 VAL C C 13 179.588 . . 1 . . . . . 199 VAL C . 28055 1 553 . 1 . 1 161 161 VAL CA C 13 66.758 . . 1 . . . . . 199 VAL CA . 28055 1 554 . 1 . 1 161 161 VAL CB C 13 30.809 . . 1 . . . . . 199 VAL CB . 28055 1 555 . 1 . 1 161 161 VAL N N 15 122.207 . . 1 . . . . . 199 VAL N . 28055 1 556 . 1 . 1 162 162 GLN H H 1 7.758 . . 1 . . . . . 200 GLN H . 28055 1 557 . 1 . 1 162 162 GLN C C 13 179.879 . . 1 . . . . . 200 GLN C . 28055 1 558 . 1 . 1 162 162 GLN CA C 13 58.2 . . 1 . . . . . 200 GLN CA . 28055 1 559 . 1 . 1 162 162 GLN CB C 13 27.376 . . 1 . . . . . 200 GLN CB . 28055 1 560 . 1 . 1 162 162 GLN N N 15 118.314 . . 1 . . . . . 200 GLN N . 28055 1 561 . 1 . 1 163 163 GLN H H 1 8.846 . . 1 . . . . . 201 GLN H . 28055 1 562 . 1 . 1 163 163 GLN C C 13 180.595 . . 1 . . . . . 201 GLN C . 28055 1 563 . 1 . 1 163 163 GLN CA C 13 57.855 . . 1 . . . . . 201 GLN CA . 28055 1 564 . 1 . 1 163 163 GLN CB C 13 27.081 . . 1 . . . . . 201 GLN CB . 28055 1 565 . 1 . 1 163 163 GLN N N 15 116.467 . . 1 . . . . . 201 GLN N . 28055 1 566 . 1 . 1 164 164 THR H H 1 8.056 . . 1 . . . . . 202 THR H . 28055 1 567 . 1 . 1 164 164 THR C C 13 176.858 . . 1 . . . . . 202 THR C . 28055 1 568 . 1 . 1 164 164 THR CA C 13 67.72 . . 1 . . . . . 202 THR CA . 28055 1 569 . 1 . 1 164 164 THR N N 15 118.275 . . 1 . . . . . 202 THR N . 28055 1 570 . 1 . 1 165 165 LYS H H 1 6.969 . . 1 . . . . . 203 LYS H . 28055 1 571 . 1 . 1 165 165 LYS C C 13 178.263 . . 1 . . . . . 203 LYS C . 28055 1 572 . 1 . 1 165 165 LYS CA C 13 58.161 . . 1 . . . . . 203 LYS CA . 28055 1 573 . 1 . 1 165 165 LYS CB C 13 31.442 . . 1 . . . . . 203 LYS CB . 28055 1 574 . 1 . 1 165 165 LYS N N 15 117.54 . . 1 . . . . . 203 LYS N . 28055 1 575 . 1 . 1 166 166 GLU H H 1 7.084 . . 1 . . . . . 204 GLU H . 28055 1 576 . 1 . 1 166 166 GLU C C 13 176.938 . . 1 . . . . . 204 GLU C . 28055 1 577 . 1 . 1 166 166 GLU CA C 13 54.923 . . 1 . . . . . 204 GLU CA . 28055 1 578 . 1 . 1 166 166 GLU CB C 13 30.086 . . 1 . . . . . 204 GLU CB . 28055 1 579 . 1 . 1 166 166 GLU N N 15 114.138 . . 1 . . . . . 204 GLU N . 28055 1 580 . 1 . 1 167 167 MET H H 1 7.119 . . 1 . . . . . 205 MET H . 28055 1 581 . 1 . 1 167 167 MET C C 13 175.428 . . 1 . . . . . 205 MET C . 28055 1 582 . 1 . 1 167 167 MET CA C 13 56.311 . . 1 . . . . . 205 MET CA . 28055 1 583 . 1 . 1 167 167 MET CB C 13 31.351 . . 1 . . . . . 205 MET CB . 28055 1 584 . 1 . 1 167 167 MET N N 15 120.838 . . 1 . . . . . 205 MET N . 28055 1 585 . 1 . 1 168 168 ASP H H 1 9.209 . . 1 . . . . . 206 ASP H . 28055 1 586 . 1 . 1 168 168 ASP C C 13 178.21 . . 1 . . . . . 206 ASP C . 28055 1 587 . 1 . 1 168 168 ASP CA C 13 52.302 . . 1 . . . . . 206 ASP CA . 28055 1 588 . 1 . 1 168 168 ASP CB C 13 40.296 . . 1 . . . . . 206 ASP CB . 28055 1 589 . 1 . 1 168 168 ASP N N 15 128.678 . . 1 . . . . . 206 ASP N . 28055 1 590 . 1 . 1 169 169 LEU H H 1 9.225 . . 1 . . . . . 207 LEU H . 28055 1 591 . 1 . 1 169 169 LEU C C 13 178.634 . . 1 . . . . . 207 LEU C . 28055 1 592 . 1 . 1 169 169 LEU CA C 13 55.025 . . 1 . . . . . 207 LEU CA . 28055 1 593 . 1 . 1 169 169 LEU CB C 13 39.573 . . 1 . . . . . 207 LEU CB . 28055 1 594 . 1 . 1 169 169 LEU N N 15 124.013 . . 1 . . . . . 207 LEU N . 28055 1 595 . 1 . 1 170 170 SER H H 1 9.425 . . 1 . . . . . 208 SER H . 28055 1 596 . 1 . 1 170 170 SER C C 13 173.255 . . 1 . . . . . 208 SER C . 28055 1 597 . 1 . 1 170 170 SER CA C 13 59.494 . . 1 . . . . . 208 SER CA . 28055 1 598 . 1 . 1 170 170 SER CB C 13 65.031 . . 1 . . . . . 208 SER CB . 28055 1 599 . 1 . 1 170 170 SER N N 15 116.524 . . 1 . . . . . 208 SER N . 28055 1 600 . 1 . 1 171 171 VAL H H 1 7.329 . . 1 . . . . . 209 VAL H . 28055 1 601 . 1 . 1 171 171 VAL C C 13 173.414 . . 1 . . . . . 209 VAL C . 28055 1 602 . 1 . 1 171 171 VAL CA C 13 59.171 . . 1 . . . . . 209 VAL CA . 28055 1 603 . 1 . 1 171 171 VAL CB C 13 32.797 . . 1 . . . . . 209 VAL CB . 28055 1 604 . 1 . 1 171 171 VAL N N 15 120.019 . . 1 . . . . . 209 VAL N . 28055 1 605 . 1 . 1 172 172 VAL H H 1 8.425 . . 1 . . . . . 210 VAL H . 28055 1 606 . 1 . 1 172 172 VAL C C 13 174.394 . . 1 . . . . . 210 VAL C . 28055 1 607 . 1 . 1 172 172 VAL CA C 13 57.474 . . 1 . . . . . 210 VAL CA . 28055 1 608 . 1 . 1 172 172 VAL CB C 13 35.313 . . 1 . . . . . 210 VAL CB . 28055 1 609 . 1 . 1 172 172 VAL N N 15 117.108 . . 1 . . . . . 210 VAL N . 28055 1 610 . 1 . 1 173 173 ARG H H 1 8.563 . . 1 . . . . . 211 ARG H . 28055 1 611 . 1 . 1 173 173 ARG C C 13 174.845 . . 1 . . . . . 211 ARG C . 28055 1 612 . 1 . 1 173 173 ARG CA C 13 54.499 . . 1 . . . . . 211 ARG CA . 28055 1 613 . 1 . 1 173 173 ARG CB C 13 32.978 . . 1 . . . . . 211 ARG CB . 28055 1 614 . 1 . 1 173 173 ARG N N 15 115.639 . . 1 . . . . . 211 ARG N . 28055 1 615 . 1 . 1 174 174 LEU H H 1 8.263 . . 1 . . . . . 212 LEU H . 28055 1 616 . 1 . 1 174 174 LEU C C 13 175.64 . . 1 . . . . . 212 LEU C . 28055 1 617 . 1 . 1 174 174 LEU CA C 13 52.488 . . 1 . . . . . 212 LEU CA . 28055 1 618 . 1 . 1 174 174 LEU N N 15 118.153 . . 1 . . . . . 212 LEU N . 28055 1 619 . 1 . 1 175 175 MET H H 1 8.918 . . 1 . . . . . 213 MET H . 28055 1 620 . 1 . 1 175 175 MET C C 13 175.295 . . 1 . . . . . 213 MET C . 28055 1 621 . 1 . 1 175 175 MET CA C 13 53.668 . . 1 . . . . . 213 MET CA . 28055 1 622 . 1 . 1 175 175 MET CB C 13 36.23 . . 1 . . . . . 213 MET CB . 28055 1 623 . 1 . 1 175 175 MET N N 15 121.577 . . 1 . . . . . 213 MET N . 28055 1 624 . 1 . 1 176 176 PHE H H 1 9.344 . . 1 . . . . . 214 PHE H . 28055 1 625 . 1 . 1 176 176 PHE C C 13 175.481 . . 1 . . . . . 214 PHE C . 28055 1 626 . 1 . 1 176 176 PHE CA C 13 55.475 . . 1 . . . . . 214 PHE CA . 28055 1 627 . 1 . 1 176 176 PHE CB C 13 40.928 . . 1 . . . . . 214 PHE CB . 28055 1 628 . 1 . 1 176 176 PHE N N 15 128.788 . . 1 . . . . . 214 PHE N . 28055 1 629 . 1 . 1 177 177 THR H H 1 8.813 . . 1 . . . . . 215 THR H . 28055 1 630 . 1 . 1 177 177 THR C C 13 173.043 . . 1 . . . . . 215 THR C . 28055 1 631 . 1 . 1 177 177 THR CA C 13 61.283 . . 1 . . . . . 215 THR CA . 28055 1 632 . 1 . 1 177 177 THR CB C 13 68.954 . . 1 . . . . . 215 THR CB . 28055 1 633 . 1 . 1 177 177 THR N N 15 118.875 . . 1 . . . . . 215 THR N . 28055 1 634 . 1 . 1 178 178 ALA H H 1 8.397 . . 1 . . . . . 216 ALA H . 28055 1 635 . 1 . 1 178 178 ALA C C 13 175.269 . . 1 . . . . . 216 ALA C . 28055 1 636 . 1 . 1 178 178 ALA CA C 13 48.564 . . 1 . . . . . 216 ALA CA . 28055 1 637 . 1 . 1 178 178 ALA CB C 13 21.051 . . 1 . . . . . 216 ALA CB . 28055 1 638 . 1 . 1 178 178 ALA N N 15 126.891 . . 1 . . . . . 216 ALA N . 28055 1 639 . 1 . 1 179 179 PHE H H 1 9.362 . . 1 . . . . . 217 PHE H . 28055 1 640 . 1 . 1 179 179 PHE C C 13 175.375 . . 1 . . . . . 217 PHE C . 28055 1 641 . 1 . 1 179 179 PHE CA C 13 55.463 . . 1 . . . . . 217 PHE CA . 28055 1 642 . 1 . 1 179 179 PHE CB C 13 41.922 . . 1 . . . . . 217 PHE CB . 28055 1 643 . 1 . 1 179 179 PHE N N 15 116.976 . . 1 . . . . . 217 PHE N . 28055 1 644 . 1 . 1 180 180 LEU H H 1 9.483 . . 1 . . . . . 218 LEU H . 28055 1 645 . 1 . 1 180 180 LEU CA C 13 51.223 . . 1 . . . . . 218 LEU CA . 28055 1 646 . 1 . 1 180 180 LEU N N 15 124.111 . . 1 . . . . . 218 LEU N . 28055 1 647 . 1 . 1 181 181 PRO C C 13 178.581 . . 1 . . . . . 219 PRO C . 28055 1 648 . 1 . 1 182 182 ASP H H 1 8.628 . . 1 . . . . . 220 ASP H . 28055 1 649 . 1 . 1 182 182 ASP CA C 13 51.431 . . 1 . . . . . 220 ASP CA . 28055 1 650 . 1 . 1 182 182 ASP CB C 13 40.544 . . 1 . . . . . 220 ASP CB . 28055 1 651 . 1 . 1 182 182 ASP N N 15 122.594 . . 1 . . . . . 220 ASP N . 28055 1 652 . 1 . 1 183 183 SER C C 13 176.381 . . 1 . . . . . 221 SER C . 28055 1 653 . 1 . 1 184 184 THR H H 1 8.782 . . 1 . . . . . 222 THR H . 28055 1 654 . 1 . 1 184 184 THR C C 13 176.381 . . 1 . . . . . 222 THR C . 28055 1 655 . 1 . 1 184 184 THR CA C 13 61.421 . . 1 . . . . . 222 THR CA . 28055 1 656 . 1 . 1 184 184 THR CB C 13 69.751 . . 1 . . . . . 222 THR CB . 28055 1 657 . 1 . 1 184 184 THR N N 15 112.65 . . 1 . . . . . 222 THR N . 28055 1 658 . 1 . 1 185 185 GLY H H 1 8.025 . . 1 . . . . . 223 GLY H . 28055 1 659 . 1 . 1 185 185 GLY C C 13 174.474 . . 1 . . . . . 223 GLY C . 28055 1 660 . 1 . 1 185 185 GLY CA C 13 44.247 . . 1 . . . . . 223 GLY CA . 28055 1 661 . 1 . 1 185 185 GLY N N 15 110.232 . . 1 . . . . . 223 GLY N . 28055 1 662 . 1 . 1 186 186 SER H H 1 7.655 . . 1 . . . . . 224 SER H . 28055 1 663 . 1 . 1 186 186 SER C C 13 175.388 . . 1 . . . . . 224 SER C . 28055 1 664 . 1 . 1 186 186 SER CA C 13 57.467 . . 1 . . . . . 224 SER CA . 28055 1 665 . 1 . 1 186 186 SER CB C 13 62.884 . . 1 . . . . . 224 SER CB . 28055 1 666 . 1 . 1 186 186 SER N N 15 116.528 . . 1 . . . . . 224 SER N . 28055 1 667 . 1 . 1 187 187 PHE H H 1 9 . . 1 . . . . . 225 PHE H . 28055 1 668 . 1 . 1 187 187 PHE C C 13 175.746 . . 1 . . . . . 225 PHE C . 28055 1 669 . 1 . 1 187 187 PHE CA C 13 57.145 . . 1 . . . . . 225 PHE CA . 28055 1 670 . 1 . 1 187 187 PHE CB C 13 36.23 . . 1 . . . . . 225 PHE CB . 28055 1 671 . 1 . 1 187 187 PHE N N 15 125.645 . . 1 . . . . . 225 PHE N . 28055 1 672 . 1 . 1 188 188 THR H H 1 7.725 . . 1 . . . . . 226 THR H . 28055 1 673 . 1 . 1 188 188 THR C C 13 175.958 . . 1 . . . . . 226 THR C . 28055 1 674 . 1 . 1 188 188 THR CA C 13 60.551 . . 1 . . . . . 226 THR CA . 28055 1 675 . 1 . 1 188 188 THR CB C 13 70.112 . . 1 . . . . . 226 THR CB . 28055 1 676 . 1 . 1 188 188 THR N N 15 111.324 . . 1 . . . . . 226 THR N . 28055 1 677 . 1 . 1 189 189 ARG H H 1 8.773 . . 1 . . . . . 227 ARG H . 28055 1 678 . 1 . 1 189 189 ARG C C 13 175.216 . . 1 . . . . . 227 ARG C . 28055 1 679 . 1 . 1 189 189 ARG CA C 13 55.232 . . 1 . . . . . 227 ARG CA . 28055 1 680 . 1 . 1 189 189 ARG CB C 13 28.008 . . 1 . . . . . 227 ARG CB . 28055 1 681 . 1 . 1 189 189 ARG N N 15 124.318 . . 1 . . . . . 227 ARG N . 28055 1 682 . 1 . 1 190 190 ARG H H 1 8.454 . . 1 . . . . . 228 ARG H . 28055 1 683 . 1 . 1 190 190 ARG C C 13 177.733 . . 1 . . . . . 228 ARG C . 28055 1 684 . 1 . 1 190 190 ARG CA C 13 55.926 . . 1 . . . . . 228 ARG CA . 28055 1 685 . 1 . 1 190 190 ARG CB C 13 30.809 . . 1 . . . . . 228 ARG CB . 28055 1 686 . 1 . 1 190 190 ARG N N 15 129.375 . . 1 . . . . . 228 ARG N . 28055 1 687 . 1 . 1 191 191 LEU H H 1 8.347 . . 1 . . . . . 229 LEU H . 28055 1 688 . 1 . 1 191 191 LEU C C 13 177.892 . . 1 . . . . . 229 LEU C . 28055 1 689 . 1 . 1 191 191 LEU CA C 13 52.688 . . 1 . . . . . 229 LEU CA . 28055 1 690 . 1 . 1 191 191 LEU CB C 13 39.935 . . 1 . . . . . 229 LEU CB . 28055 1 691 . 1 . 1 191 191 LEU N N 15 127.251 . . 1 . . . . . 229 LEU N . 28055 1 692 . 1 . 1 192 192 GLU H H 1 8.022 . . 1 . . . . . 230 GLU H . 28055 1 693 . 1 . 1 192 192 GLU CA C 13 54.707 . . 1 . . . . . 230 GLU CA . 28055 1 694 . 1 . 1 192 192 GLU CB C 13 28.189 . . 1 . . . . . 230 GLU CB . 28055 1 695 . 1 . 1 192 192 GLU N N 15 122.325 . . 1 . . . . . 230 GLU N . 28055 1 696 . 1 . 1 193 193 PRO C C 13 177.839 . . 1 . . . . . 231 PRO C . 28055 1 697 . 1 . 1 194 194 VAL H H 1 8.512 . . 1 . . . . . 232 VAL H . 28055 1 698 . 1 . 1 194 194 VAL C C 13 175.083 . . 1 . . . . . 232 VAL C . 28055 1 699 . 1 . 1 194 194 VAL CA C 13 59.664 . . 1 . . . . . 232 VAL CA . 28055 1 700 . 1 . 1 194 194 VAL CB C 13 34.125 . . 1 . . . . . 232 VAL CB . 28055 1 701 . 1 . 1 194 194 VAL N N 15 115.822 . . 1 . . . . . 232 VAL N . 28055 1 702 . 1 . 1 195 195 VAL H H 1 8.646 . . 1 . . . . . 233 VAL H . 28055 1 703 . 1 . 1 195 195 VAL C C 13 176.646 . . 1 . . . . . 233 VAL C . 28055 1 704 . 1 . 1 195 195 VAL CA C 13 59.832 . . 1 . . . . . 233 VAL CA . 28055 1 705 . 1 . 1 195 195 VAL CB C 13 32.768 . . 1 . . . . . 233 VAL CB . 28055 1 706 . 1 . 1 195 195 VAL N N 15 124.924 . . 1 . . . . . 233 VAL N . 28055 1 707 . 1 . 1 196 196 SER H H 1 9.56 . . 1 . . . . . 234 SER H . 28055 1 708 . 1 . 1 196 196 SER C C 13 174.156 . . 1 . . . . . 234 SER C . 28055 1 709 . 1 . 1 196 196 SER CA C 13 58.315 . . 1 . . . . . 234 SER CA . 28055 1 710 . 1 . 1 196 196 SER CB C 13 66.408 . . 1 . . . . . 234 SER CB . 28055 1 711 . 1 . 1 196 196 SER N N 15 122.89 . . 1 . . . . . 234 SER N . 28055 1 712 . 1 . 1 197 197 ASP H H 1 8.812 . . 1 . . . . . 235 ASP H . 28055 1 713 . 1 . 1 197 197 ASP C C 13 176.699 . . 1 . . . . . 235 ASP C . 28055 1 714 . 1 . 1 197 197 ASP CA C 13 54.23 . . 1 . . . . . 235 ASP CA . 28055 1 715 . 1 . 1 197 197 ASP CB C 13 40.811 . . 1 . . . . . 235 ASP CB . 28055 1 716 . 1 . 1 197 197 ASP N N 15 119.128 . . 1 . . . . . 235 ASP N . 28055 1 717 . 1 . 1 198 198 ALA H H 1 8.411 . . 1 . . . . . 236 ALA H . 28055 1 718 . 1 . 1 198 198 ALA CA C 13 51.861 . . 1 . . . . . 236 ALA CA . 28055 1 719 . 1 . 1 198 198 ALA CB C 13 17.798 . . 1 . . . . . 236 ALA CB . 28055 1 720 . 1 . 1 198 198 ALA N N 15 121.885 . . 1 . . . . . 236 ALA N . 28055 1 721 . 1 . 1 199 199 ILE H H 1 8.779 . . 1 . . . . . 237 ILE H . 28055 1 722 . 1 . 1 199 199 ILE CA C 13 60.022 . . 1 . . . . . 237 ILE CA . 28055 1 723 . 1 . 1 199 199 ILE N N 15 119.176 . . 1 . . . . . 237 ILE N . 28055 1 724 . 1 . 1 202 202 SER C C 13 177.353 . . 1 . . . . . 240 SER C . 28055 1 725 . 1 . 1 203 203 LYS H H 1 8.139 . . 1 . . . . . 241 LYS H . 28055 1 726 . 1 . 1 203 203 LYS C C 13 176.696 . . 1 . . . . . 241 LYS C . 28055 1 727 . 1 . 1 203 203 LYS CA C 13 55.694 . . 1 . . . . . 241 LYS CA . 28055 1 728 . 1 . 1 203 203 LYS CB C 13 31.51 . . 1 . . . . . 241 LYS CB . 28055 1 729 . 1 . 1 203 203 LYS N N 15 121.605 . . 1 . . . . . 241 LYS N . 28055 1 730 . 1 . 1 204 204 ALA H H 1 8.184 . . 1 . . . . . 242 ALA H . 28055 1 731 . 1 . 1 204 204 ALA CA C 13 49.99 . . 1 . . . . . 242 ALA CA . 28055 1 732 . 1 . 1 204 204 ALA CB C 13 17.076 . . 1 . . . . . 242 ALA CB . 28055 1 733 . 1 . 1 204 204 ALA N N 15 125.818 . . 1 . . . . . 242 ALA N . 28055 1 734 . 1 . 1 205 205 PRO C C 13 177.521 . . 1 . . . . . 243 PRO C . 28055 1 735 . 1 . 1 206 206 ASN H H 1 8.413 . . 1 . . . . . 244 ASN H . 28055 1 736 . 1 . 1 206 206 ASN C C 13 174.553 . . 1 . . . . . 244 ASN C . 28055 1 737 . 1 . 1 206 206 ASN CA C 13 52.804 . . 1 . . . . . 244 ASN CA . 28055 1 738 . 1 . 1 206 206 ASN CB C 13 37.955 . . 1 . . . . . 244 ASN CB . 28055 1 739 . 1 . 1 206 206 ASN N N 15 117.968 . . 1 . . . . . 244 ASN N . 28055 1 740 . 1 . 1 207 207 ALA H H 1 7.803 . . 1 . . . . . 245 ALA H . 28055 1 741 . 1 . 1 207 207 ALA CA C 13 53.15 . . 1 . . . . . 245 ALA CA . 28055 1 742 . 1 . 1 207 207 ALA CB C 13 19.154 . . 1 . . . . . 245 ALA CB . 28055 1 743 . 1 . 1 207 207 ALA N N 15 129.341 . . 1 . . . . . 245 ALA N . 28055 1 stop_ save_