data_30035 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30035 _Entry.Title ; Dimerization interface of the noncrystalline HIV-1 capsid protein lattice from solid state NMR spectroscopy of tubular assemblies ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-03-14 _Entry.Accession_date 2016-03-14 _Entry.Last_release_date 2016-06-20 _Entry.Original_release_date 2016-06-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.2.6 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLID-STATE _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 M. Bayro M. J. . . 30035 2 R. Tycko R. . . . 30035 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'VIRAL PROTEIN' . 30035 'noncrystalline lattice' . 30035 'supramolecular structure' . 30035 'symmetric dimer' . 30035 'tubular assembly' . 30035 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30035 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 603 30035 '15N chemical shifts' 188 30035 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 . . 2016-11-18 2016-03-14 update BMRB 'update entry citation' 30035 1 . . 2016-06-20 2016-03-14 original author 'original release' 30035 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5IRT 'BMRB Entry Tracking System' 30035 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30035 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27298207 _Citation.Full_citation . _Citation.Title ; Structure of the Dimerization Interface in the Mature HIV-1 Capsid Protein Lattice from Solid State NMR of Tubular Assemblies ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 138 _Citation.Journal_issue 27 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 8538 _Citation.Page_last 8546 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. Bayro M. J. . . 30035 1 2 R. Tycko R. . . . 30035 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30035 _Assembly.ID 1 _Assembly.Name 'Capsid protein p24' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'entity_1, chain 1' 1 $entity_1 A A yes . . . . . . 30035 1 2 'entity_1, chain 2' 1 $entity_1 B B yes . . . . . . 30035 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30035 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Capsid protein p24' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; PIVQNLQGQMVHQAISPRTL NAWVKVVEEKAFSPEVIPMF SALSEGATPQDLNTMLNTVG GHQAAMQMLKETINEEAAEW DRLHPVHAGPIAPGQMREPR GSDIAGTTSTLQEQIGWMTH NPPIPVGEIYKRWIILGLNK IVRMYSPTSILDIRQGPKEP FRDYVDRFYKTLRAEQASQE VKNWMTETLLVQNANPDCKT ILKALGPGATLEEMMTACQG VGGPGHKARVL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 231 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 25630.426 _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 1 PRO . 30035 1 2 2 ILE . 30035 1 3 3 VAL . 30035 1 4 4 GLN . 30035 1 5 5 ASN . 30035 1 6 6 LEU . 30035 1 7 7 GLN . 30035 1 8 8 GLY . 30035 1 9 9 GLN . 30035 1 10 10 MET . 30035 1 11 11 VAL . 30035 1 12 12 HIS . 30035 1 13 13 GLN . 30035 1 14 14 ALA . 30035 1 15 15 ILE . 30035 1 16 16 SER . 30035 1 17 17 PRO . 30035 1 18 18 ARG . 30035 1 19 19 THR . 30035 1 20 20 LEU . 30035 1 21 21 ASN . 30035 1 22 22 ALA . 30035 1 23 23 TRP . 30035 1 24 24 VAL . 30035 1 25 25 LYS . 30035 1 26 26 VAL . 30035 1 27 27 VAL . 30035 1 28 28 GLU . 30035 1 29 29 GLU . 30035 1 30 30 LYS . 30035 1 31 31 ALA . 30035 1 32 32 PHE . 30035 1 33 33 SER . 30035 1 34 34 PRO . 30035 1 35 35 GLU . 30035 1 36 36 VAL . 30035 1 37 37 ILE . 30035 1 38 38 PRO . 30035 1 39 39 MET . 30035 1 40 40 PHE . 30035 1 41 41 SER . 30035 1 42 42 ALA . 30035 1 43 43 LEU . 30035 1 44 44 SER . 30035 1 45 45 GLU . 30035 1 46 46 GLY . 30035 1 47 47 ALA . 30035 1 48 48 THR . 30035 1 49 49 PRO . 30035 1 50 50 GLN . 30035 1 51 51 ASP . 30035 1 52 52 LEU . 30035 1 53 53 ASN . 30035 1 54 54 THR . 30035 1 55 55 MET . 30035 1 56 56 LEU . 30035 1 57 57 ASN . 30035 1 58 58 THR . 30035 1 59 59 VAL . 30035 1 60 60 GLY . 30035 1 61 61 GLY . 30035 1 62 62 HIS . 30035 1 63 63 GLN . 30035 1 64 64 ALA . 30035 1 65 65 ALA . 30035 1 66 66 MET . 30035 1 67 67 GLN . 30035 1 68 68 MET . 30035 1 69 69 LEU . 30035 1 70 70 LYS . 30035 1 71 71 GLU . 30035 1 72 72 THR . 30035 1 73 73 ILE . 30035 1 74 74 ASN . 30035 1 75 75 GLU . 30035 1 76 76 GLU . 30035 1 77 77 ALA . 30035 1 78 78 ALA . 30035 1 79 79 GLU . 30035 1 80 80 TRP . 30035 1 81 81 ASP . 30035 1 82 82 ARG . 30035 1 83 83 LEU . 30035 1 84 84 HIS . 30035 1 85 85 PRO . 30035 1 86 86 VAL . 30035 1 87 87 HIS . 30035 1 88 88 ALA . 30035 1 89 89 GLY . 30035 1 90 90 PRO . 30035 1 91 91 ILE . 30035 1 92 92 ALA . 30035 1 93 93 PRO . 30035 1 94 94 GLY . 30035 1 95 95 GLN . 30035 1 96 96 MET . 30035 1 97 97 ARG . 30035 1 98 98 GLU . 30035 1 99 99 PRO . 30035 1 100 100 ARG . 30035 1 101 101 GLY . 30035 1 102 102 SER . 30035 1 103 103 ASP . 30035 1 104 104 ILE . 30035 1 105 105 ALA . 30035 1 106 106 GLY . 30035 1 107 107 THR . 30035 1 108 108 THR . 30035 1 109 109 SER . 30035 1 110 110 THR . 30035 1 111 111 LEU . 30035 1 112 112 GLN . 30035 1 113 113 GLU . 30035 1 114 114 GLN . 30035 1 115 115 ILE . 30035 1 116 116 GLY . 30035 1 117 117 TRP . 30035 1 118 118 MET . 30035 1 119 119 THR . 30035 1 120 120 HIS . 30035 1 121 121 ASN . 30035 1 122 122 PRO . 30035 1 123 123 PRO . 30035 1 124 124 ILE . 30035 1 125 125 PRO . 30035 1 126 126 VAL . 30035 1 127 127 GLY . 30035 1 128 128 GLU . 30035 1 129 129 ILE . 30035 1 130 130 TYR . 30035 1 131 131 LYS . 30035 1 132 132 ARG . 30035 1 133 133 TRP . 30035 1 134 134 ILE . 30035 1 135 135 ILE . 30035 1 136 136 LEU . 30035 1 137 137 GLY . 30035 1 138 138 LEU . 30035 1 139 139 ASN . 30035 1 140 140 LYS . 30035 1 141 141 ILE . 30035 1 142 142 VAL . 30035 1 143 143 ARG . 30035 1 144 144 MET . 30035 1 145 145 TYR . 30035 1 146 146 SER . 30035 1 147 147 PRO . 30035 1 148 148 THR . 30035 1 149 149 SER . 30035 1 150 150 ILE . 30035 1 151 151 LEU . 30035 1 152 152 ASP . 30035 1 153 153 ILE . 30035 1 154 154 ARG . 30035 1 155 155 GLN . 30035 1 156 156 GLY . 30035 1 157 157 PRO . 30035 1 158 158 LYS . 30035 1 159 159 GLU . 30035 1 160 160 PRO . 30035 1 161 161 PHE . 30035 1 162 162 ARG . 30035 1 163 163 ASP . 30035 1 164 164 TYR . 30035 1 165 165 VAL . 30035 1 166 166 ASP . 30035 1 167 167 ARG . 30035 1 168 168 PHE . 30035 1 169 169 TYR . 30035 1 170 170 LYS . 30035 1 171 171 THR . 30035 1 172 172 LEU . 30035 1 173 173 ARG . 30035 1 174 174 ALA . 30035 1 175 175 GLU . 30035 1 176 176 GLN . 30035 1 177 177 ALA . 30035 1 178 178 SER . 30035 1 179 179 GLN . 30035 1 180 180 GLU . 30035 1 181 181 VAL . 30035 1 182 182 LYS . 30035 1 183 183 ASN . 30035 1 184 184 TRP . 30035 1 185 185 MET . 30035 1 186 186 THR . 30035 1 187 187 GLU . 30035 1 188 188 THR . 30035 1 189 189 LEU . 30035 1 190 190 LEU . 30035 1 191 191 VAL . 30035 1 192 192 GLN . 30035 1 193 193 ASN . 30035 1 194 194 ALA . 30035 1 195 195 ASN . 30035 1 196 196 PRO . 30035 1 197 197 ASP . 30035 1 198 198 CYS . 30035 1 199 199 LYS . 30035 1 200 200 THR . 30035 1 201 201 ILE . 30035 1 202 202 LEU . 30035 1 203 203 LYS . 30035 1 204 204 ALA . 30035 1 205 205 LEU . 30035 1 206 206 GLY . 30035 1 207 207 PRO . 30035 1 208 208 GLY . 30035 1 209 209 ALA . 30035 1 210 210 THR . 30035 1 211 211 LEU . 30035 1 212 212 GLU . 30035 1 213 213 GLU . 30035 1 214 214 MET . 30035 1 215 215 MET . 30035 1 216 216 THR . 30035 1 217 217 ALA . 30035 1 218 218 CYS . 30035 1 219 219 GLN . 30035 1 220 220 GLY . 30035 1 221 221 VAL . 30035 1 222 222 GLY . 30035 1 223 223 GLY . 30035 1 224 224 PRO . 30035 1 225 225 GLY . 30035 1 226 226 HIS . 30035 1 227 227 LYS . 30035 1 228 228 ALA . 30035 1 229 229 ARG . 30035 1 230 230 VAL . 30035 1 231 231 LEU . 30035 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 . PRO 1 1 30035 1 . ILE 2 2 30035 1 . VAL 3 3 30035 1 . GLN 4 4 30035 1 . ASN 5 5 30035 1 . LEU 6 6 30035 1 . GLN 7 7 30035 1 . GLY 8 8 30035 1 . GLN 9 9 30035 1 . MET 10 10 30035 1 . VAL 11 11 30035 1 . HIS 12 12 30035 1 . GLN 13 13 30035 1 . ALA 14 14 30035 1 . ILE 15 15 30035 1 . SER 16 16 30035 1 . PRO 17 17 30035 1 . ARG 18 18 30035 1 . THR 19 19 30035 1 . LEU 20 20 30035 1 . ASN 21 21 30035 1 . ALA 22 22 30035 1 . TRP 23 23 30035 1 . VAL 24 24 30035 1 . LYS 25 25 30035 1 . VAL 26 26 30035 1 . VAL 27 27 30035 1 . GLU 28 28 30035 1 . GLU 29 29 30035 1 . LYS 30 30 30035 1 . ALA 31 31 30035 1 . PHE 32 32 30035 1 . SER 33 33 30035 1 . PRO 34 34 30035 1 . GLU 35 35 30035 1 . VAL 36 36 30035 1 . ILE 37 37 30035 1 . PRO 38 38 30035 1 . MET 39 39 30035 1 . PHE 40 40 30035 1 . SER 41 41 30035 1 . ALA 42 42 30035 1 . LEU 43 43 30035 1 . SER 44 44 30035 1 . GLU 45 45 30035 1 . GLY 46 46 30035 1 . ALA 47 47 30035 1 . THR 48 48 30035 1 . PRO 49 49 30035 1 . GLN 50 50 30035 1 . ASP 51 51 30035 1 . LEU 52 52 30035 1 . ASN 53 53 30035 1 . THR 54 54 30035 1 . MET 55 55 30035 1 . LEU 56 56 30035 1 . ASN 57 57 30035 1 . THR 58 58 30035 1 . VAL 59 59 30035 1 . GLY 60 60 30035 1 . GLY 61 61 30035 1 . HIS 62 62 30035 1 . GLN 63 63 30035 1 . ALA 64 64 30035 1 . ALA 65 65 30035 1 . MET 66 66 30035 1 . GLN 67 67 30035 1 . MET 68 68 30035 1 . LEU 69 69 30035 1 . LYS 70 70 30035 1 . GLU 71 71 30035 1 . THR 72 72 30035 1 . ILE 73 73 30035 1 . ASN 74 74 30035 1 . GLU 75 75 30035 1 . GLU 76 76 30035 1 . ALA 77 77 30035 1 . ALA 78 78 30035 1 . GLU 79 79 30035 1 . TRP 80 80 30035 1 . ASP 81 81 30035 1 . ARG 82 82 30035 1 . LEU 83 83 30035 1 . HIS 84 84 30035 1 . PRO 85 85 30035 1 . VAL 86 86 30035 1 . HIS 87 87 30035 1 . ALA 88 88 30035 1 . GLY 89 89 30035 1 . PRO 90 90 30035 1 . ILE 91 91 30035 1 . ALA 92 92 30035 1 . PRO 93 93 30035 1 . GLY 94 94 30035 1 . GLN 95 95 30035 1 . MET 96 96 30035 1 . ARG 97 97 30035 1 . GLU 98 98 30035 1 . PRO 99 99 30035 1 . ARG 100 100 30035 1 . GLY 101 101 30035 1 . SER 102 102 30035 1 . ASP 103 103 30035 1 . ILE 104 104 30035 1 . ALA 105 105 30035 1 . GLY 106 106 30035 1 . THR 107 107 30035 1 . THR 108 108 30035 1 . SER 109 109 30035 1 . THR 110 110 30035 1 . LEU 111 111 30035 1 . GLN 112 112 30035 1 . GLU 113 113 30035 1 . GLN 114 114 30035 1 . ILE 115 115 30035 1 . GLY 116 116 30035 1 . TRP 117 117 30035 1 . MET 118 118 30035 1 . THR 119 119 30035 1 . HIS 120 120 30035 1 . ASN 121 121 30035 1 . PRO 122 122 30035 1 . PRO 123 123 30035 1 . ILE 124 124 30035 1 . PRO 125 125 30035 1 . VAL 126 126 30035 1 . GLY 127 127 30035 1 . GLU 128 128 30035 1 . ILE 129 129 30035 1 . TYR 130 130 30035 1 . LYS 131 131 30035 1 . ARG 132 132 30035 1 . TRP 133 133 30035 1 . ILE 134 134 30035 1 . ILE 135 135 30035 1 . LEU 136 136 30035 1 . GLY 137 137 30035 1 . LEU 138 138 30035 1 . ASN 139 139 30035 1 . LYS 140 140 30035 1 . ILE 141 141 30035 1 . VAL 142 142 30035 1 . ARG 143 143 30035 1 . MET 144 144 30035 1 . TYR 145 145 30035 1 . SER 146 146 30035 1 . PRO 147 147 30035 1 . THR 148 148 30035 1 . SER 149 149 30035 1 . ILE 150 150 30035 1 . LEU 151 151 30035 1 . ASP 152 152 30035 1 . ILE 153 153 30035 1 . ARG 154 154 30035 1 . GLN 155 155 30035 1 . GLY 156 156 30035 1 . PRO 157 157 30035 1 . LYS 158 158 30035 1 . GLU 159 159 30035 1 . PRO 160 160 30035 1 . PHE 161 161 30035 1 . ARG 162 162 30035 1 . ASP 163 163 30035 1 . TYR 164 164 30035 1 . VAL 165 165 30035 1 . ASP 166 166 30035 1 . ARG 167 167 30035 1 . PHE 168 168 30035 1 . TYR 169 169 30035 1 . LYS 170 170 30035 1 . THR 171 171 30035 1 . LEU 172 172 30035 1 . ARG 173 173 30035 1 . ALA 174 174 30035 1 . GLU 175 175 30035 1 . GLN 176 176 30035 1 . ALA 177 177 30035 1 . SER 178 178 30035 1 . GLN 179 179 30035 1 . GLU 180 180 30035 1 . VAL 181 181 30035 1 . LYS 182 182 30035 1 . ASN 183 183 30035 1 . TRP 184 184 30035 1 . MET 185 185 30035 1 . THR 186 186 30035 1 . GLU 187 187 30035 1 . THR 188 188 30035 1 . LEU 189 189 30035 1 . LEU 190 190 30035 1 . VAL 191 191 30035 1 . GLN 192 192 30035 1 . ASN 193 193 30035 1 . ALA 194 194 30035 1 . ASN 195 195 30035 1 . PRO 196 196 30035 1 . ASP 197 197 30035 1 . CYS 198 198 30035 1 . LYS 199 199 30035 1 . THR 200 200 30035 1 . ILE 201 201 30035 1 . LEU 202 202 30035 1 . LYS 203 203 30035 1 . ALA 204 204 30035 1 . LEU 205 205 30035 1 . GLY 206 206 30035 1 . PRO 207 207 30035 1 . GLY 208 208 30035 1 . ALA 209 209 30035 1 . THR 210 210 30035 1 . LEU 211 211 30035 1 . GLU 212 212 30035 1 . GLU 213 213 30035 1 . MET 214 214 30035 1 . MET 215 215 30035 1 . THR 216 216 30035 1 . ALA 217 217 30035 1 . CYS 218 218 30035 1 . GLN 219 219 30035 1 . GLY 220 220 30035 1 . VAL 221 221 30035 1 . GLY 222 222 30035 1 . GLY 223 223 30035 1 . PRO 224 224 30035 1 . GLY 225 225 30035 1 . HIS 226 226 30035 1 . LYS 227 227 30035 1 . ALA 228 228 30035 1 . ARG 229 229 30035 1 . VAL 230 230 30035 1 . LEU 231 231 30035 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 30035 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 11698 organism . 'Human immunodeficiency virus type 1 group M subtype B (isolate NY5)' HIV-1 . Viruses retrovirus lentivirus 'Human Immunodeficiency virus 1' . 'isolate NY5' . . . . . . . . . . . . 30035 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 30035 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 469008 Escherichia coli BL21(DE3) . . . . . . . . . 30035 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30035 _Sample.ID 1 _Sample.Type solid _Sample.Sub_type . _Sample.Details '15 mM U-15N,13C-Met and U-15N Capsid protein, water' _Sample.Aggregate_sample_number . _Sample.Solvent_system water _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 'Capsid protein' '[U-15N; 13C-Met and U-15N]' . . 1 $entity_1 . . 15 . . mM . . . . 30035 1 2 H2O 'natural abundance' . . . . . . 100 . . % . . . . 30035 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30035 _Sample.ID 2 _Sample.Type solid _Sample.Sub_type . _Sample.Details '15 mM 2-13C-glycerol and U-15N Capsid protein, water' _Sample.Aggregate_sample_number . _Sample.Solvent_system water _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 'Capsid protein' '[2-13C-glycerol; U-15N]' . . 1 $entity_1 . . 15 . . mM . . . . 30035 2 2 H2O 'natural abundance' . . . . . . 100 . . % . . . . 30035 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30035 _Sample.ID 3 _Sample.Type solid _Sample.Sub_type . _Sample.Details '15 mM 2-13C-glycerol, U-15N, unlabeled Tyr and Phe Capsid protein, water' _Sample.Aggregate_sample_number . _Sample.Solvent_system water _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 'Capsid protein' '[2-13C-glycerol, U-15N; unlabeled Tyr and Phe]' . . 1 $entity_1 . . 15 . . mM . . . . 30035 3 2 H2O 'natural abundance' . . . . . . 100 . . % . . . . 30035 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 30035 _Sample.ID 4 _Sample.Type solid _Sample.Sub_type . _Sample.Details '7.5 mM Methyl-13C-Met Capsid protein-1, 7.5 mM 15N-indole Capsid protein-2, water' _Sample.Aggregate_sample_number . _Sample.Solvent_system water _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 'Capsid protein-1' [Methyl-13C-Met] . . 1 $entity_1 . . 7.5 . . mM . . . . 30035 4 2 'Capsid protein-2' [15N-indole] . . 1 $entity_1 . . 7.5 . . mM . . . . 30035 4 3 H2O 'natural abundance' . . . . . . 100 . . % . . . . 30035 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 30035 _Sample.ID 5 _Sample.Type solid _Sample.Sub_type . _Sample.Details '15 mM Methyl-13C-Met, 2-13C-indole, U-15N Capsid protein, water' _Sample.Aggregate_sample_number . _Sample.Solvent_system water _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 'Capsid protein' '[Methyl-13C-Met, 2-13C-indole, U-15N]' . . 1 $entity_1 . . 15 . . mM . . . . 30035 5 2 H2O 'natural abundance' . . . . . . 100 . . % . . . . 30035 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 30035 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 1 . M 30035 1 pH 8.0 . pH 30035 1 pressure 1 . atm 30035 1 temperature 278 . K 30035 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30035 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 30035 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30035 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30035 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30035 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30035 2 'peak picking' 30035 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30035 _Software.ID 3 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30035 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30035 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30035 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details '3.2 mm BioMAS Varian probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Infinity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30035 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details '3.2 mm E-free Bruker probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Infinity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 30035 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian Infinity . 600 . . . 30035 1 2 NMR_spectrometer_2 Varian Infinity . 750 . . . 30035 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 30035 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '13C-13C 2D correlation' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30035 1 2 'NCACX 2D correlation' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30035 1 3 'NCOCX 2D correlation' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30035 1 4 '13C-13C 2D correlation' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30035 1 5 '13C-13C 2D correlation' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30035 1 6 'NCACX 2D correlation' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30035 1 7 'LGCP 1H-13C 1D buildup' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30035 1 8 'LGCP 1H-15N 1D buildup' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30035 1 9 'Intermolecular REDOR' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30035 1 10 'Side-chain/backbone REDOR' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30035 1 11 'BroBaRR 13C-13C buildup' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30035 1 12 'Vector angle Trp Ca-N/Cd1-Ne1' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30035 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30035 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.251449530 . . . . . 30035 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . 30035 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30035 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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 '13C-13C 2D correlation' . . . 30035 1 2 'NCACX 2D correlation' . . . 30035 1 3 'NCOCX 2D correlation' . . . 30035 1 4 '13C-13C 2D correlation' . . . 30035 1 5 '13C-13C 2D correlation' . . . 30035 1 6 'NCACX 2D correlation' . . . 30035 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 30035 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 PRO C C 13 171.95 0.1 . . . . . A 1 PRO C . 30035 1 2 . 1 1 1 1 PRO CA C 13 60.85 0.1 . . . . . A 1 PRO CA . 30035 1 3 . 1 1 1 1 PRO CB C 13 34.36 0.1 . . . . . A 1 PRO CB . 30035 1 4 . 1 1 1 1 PRO CG C 13 27.1 0.1 . . . . . A 1 PRO CG . 30035 1 5 . 1 1 1 1 PRO CD C 13 50.21 0.1 . . . . . A 1 PRO CD . 30035 1 6 . 1 1 1 1 PRO N N 15 49.48 0.3 . . . . . A 1 PRO N . 30035 1 7 . 1 1 2 2 ILE C C 13 175.15 0.1 . . . . . A 2 ILE C . 30035 1 8 . 1 1 2 2 ILE CA C 13 59.95 0.1 . . . . . A 2 ILE CA . 30035 1 9 . 1 1 2 2 ILE CB C 13 37.42 0.1 . . . . . A 2 ILE CB . 30035 1 10 . 1 1 2 2 ILE N N 15 120.68 0.3 . . . . . A 2 ILE N . 30035 1 11 . 1 1 3 3 VAL CA C 13 60.55 0.1 . . . . . A 3 VAL CA . 30035 1 12 . 1 1 3 3 VAL CB C 13 32.15 0.1 . . . . . A 3 VAL CB . 30035 1 13 . 1 1 3 3 VAL N N 15 122.28 0.3 . . . . . A 3 VAL N . 30035 1 14 . 1 1 4 4 GLN C C 13 177.05 0.1 . . . . . A 4 GLN C . 30035 1 15 . 1 1 4 4 GLN CA C 13 54.92 0.1 . . . . . A 4 GLN CA . 30035 1 16 . 1 1 4 4 GLN CB C 13 31.08 0.1 . . . . . A 4 GLN CB . 30035 1 17 . 1 1 5 5 ASN C C 13 176.65 0.1 . . . . . A 5 ASN C . 30035 1 18 . 1 1 5 5 ASN CA C 13 50.85 0.1 . . . . . A 5 ASN CA . 30035 1 19 . 1 1 5 5 ASN CB C 13 39.32 0.1 . . . . . A 5 ASN CB . 30035 1 20 . 1 1 5 5 ASN N N 15 124.98 0.3 . . . . . A 5 ASN N . 30035 1 21 . 1 1 6 6 LEU CA C 13 57.02 0.1 . . . . . A 6 LEU CA . 30035 1 22 . 1 1 6 6 LEU CB C 13 41.04 0.1 . . . . . A 6 LEU CB . 30035 1 23 . 1 1 6 6 LEU N N 15 115.28 0.3 . . . . . A 6 LEU N . 30035 1 24 . 1 1 14 14 ALA C C 13 177.85 0.1 . . . . . A 14 ALA C . 30035 1 25 . 1 1 14 14 ALA CA C 13 51.74 0.1 . . . . . A 14 ALA CA . 30035 1 26 . 1 1 14 14 ALA CB C 13 18.77 0.1 . . . . . A 14 ALA CB . 30035 1 27 . 1 1 14 14 ALA N N 15 124.08 0.3 . . . . . A 14 ALA N . 30035 1 28 . 1 1 15 15 ILE C C 13 173.85 0.1 . . . . . A 15 ILE C . 30035 1 29 . 1 1 15 15 ILE CA C 13 61.81 0.1 . . . . . A 15 ILE CA . 30035 1 30 . 1 1 15 15 ILE CB C 13 38.52 0.1 . . . . . A 15 ILE CB . 30035 1 31 . 1 1 15 15 ILE CG1 C 13 28.94 0.1 . . . . . A 15 ILE CG1 . 30035 1 32 . 1 1 15 15 ILE CG2 C 13 16.26 0.1 . . . . . A 15 ILE CG2 . 30035 1 33 . 1 1 15 15 ILE N N 15 121.88 0.3 . . . . . A 15 ILE N . 30035 1 34 . 1 1 16 16 SER C C 13 174.45 0.1 . . . . . A 16 SER C . 30035 1 35 . 1 1 16 16 SER CA C 13 55.5 0.1 . . . . . A 16 SER CA . 30035 1 36 . 1 1 16 16 SER CB C 13 63.64 0.1 . . . . . A 16 SER CB . 30035 1 37 . 1 1 16 16 SER N N 15 122.88 0.3 . . . . . A 16 SER N . 30035 1 38 . 1 1 17 17 PRO C C 13 177.85 0.1 . . . . . A 17 PRO C . 30035 1 39 . 1 1 17 17 PRO CA C 13 65.05 0.1 . . . . . A 17 PRO CA . 30035 1 40 . 1 1 17 17 PRO CB C 13 31.46 0.1 . . . . . A 17 PRO CB . 30035 1 41 . 1 1 17 17 PRO CG C 13 27.67 0.1 . . . . . A 17 PRO CG . 30035 1 42 . 1 1 17 17 PRO CD C 13 50.63 0.1 . . . . . A 17 PRO CD . 30035 1 43 . 1 1 17 17 PRO N N 15 137.68 0.3 . . . . . A 17 PRO N . 30035 1 44 . 1 1 18 18 ARG C C 13 178.95 0.1 . . . . . A 18 ARG C . 30035 1 45 . 1 1 18 18 ARG CA C 13 58.96 0.1 . . . . . A 18 ARG CA . 30035 1 46 . 1 1 18 18 ARG CB C 13 29.67 0.1 . . . . . A 18 ARG CB . 30035 1 47 . 1 1 18 18 ARG N N 15 115.88 0.3 . . . . . A 18 ARG N . 30035 1 48 . 1 1 19 19 THR C C 13 175.45 0.1 . . . . . A 19 THR C . 30035 1 49 . 1 1 19 19 THR CA C 13 66.34 0.1 . . . . . A 19 THR CA . 30035 1 50 . 1 1 19 19 THR CB C 13 68.07 0.1 . . . . . A 19 THR CB . 30035 1 51 . 1 1 19 19 THR CG2 C 13 22.93 0.1 . . . . . A 19 THR CG2 . 30035 1 52 . 1 1 19 19 THR N N 15 119.78 0.3 . . . . . A 19 THR N . 30035 1 53 . 1 1 20 20 LEU C C 13 178.05 0.1 . . . . . A 20 LEU C . 30035 1 54 . 1 1 20 20 LEU CA C 13 57.89 0.1 . . . . . A 20 LEU CA . 30035 1 55 . 1 1 20 20 LEU CB C 13 40.21 0.1 . . . . . A 20 LEU CB . 30035 1 56 . 1 1 20 20 LEU N N 15 120.28 0.3 . . . . . A 20 LEU N . 30035 1 57 . 1 1 21 21 ASN C C 13 177.25 0.1 . . . . . A 21 ASN C . 30035 1 58 . 1 1 21 21 ASN CA C 13 55.54 0.1 . . . . . A 21 ASN CA . 30035 1 59 . 1 1 21 21 ASN CB C 13 38.33 0.1 . . . . . A 21 ASN CB . 30035 1 60 . 1 1 21 21 ASN N N 15 115.18 0.3 . . . . . A 21 ASN N . 30035 1 61 . 1 1 22 22 ALA C C 13 179.85 0.1 . . . . . A 22 ALA C . 30035 1 62 . 1 1 22 22 ALA CA C 13 54.69 0.1 . . . . . A 22 ALA CA . 30035 1 63 . 1 1 22 22 ALA CB C 13 17.97 0.1 . . . . . A 22 ALA CB . 30035 1 64 . 1 1 22 22 ALA N N 15 121.38 0.3 . . . . . A 22 ALA N . 30035 1 65 . 1 1 23 23 TRP C C 13 175.35 0.1 . . . . . A 23 TRP C . 30035 1 66 . 1 1 23 23 TRP CA C 13 58.21 0.1 . . . . . A 23 TRP CA . 30035 1 67 . 1 1 23 23 TRP CB C 13 29.35 0.1 . . . . . A 23 TRP CB . 30035 1 68 . 1 1 23 23 TRP CG C 13 110.85 0.1 . . . . . A 23 TRP CG . 30035 1 69 . 1 1 23 23 TRP N N 15 119.28 0.3 . . . . . A 23 TRP N . 30035 1 70 . 1 1 24 24 VAL C C 13 178.65 0.1 . . . . . A 24 VAL C . 30035 1 71 . 1 1 24 24 VAL CA C 13 66.38 0.1 . . . . . A 24 VAL CA . 30035 1 72 . 1 1 24 24 VAL CB C 13 31.44 0.1 . . . . . A 24 VAL CB . 30035 1 73 . 1 1 24 24 VAL CG1 C 13 22.5 0.1 . . . . . A 24 VAL CG1 . 30035 1 74 . 1 1 24 24 VAL N N 15 115.98 0.3 . . . . . A 24 VAL N . 30035 1 75 . 1 1 25 25 LYS C C 13 178.25 0.1 . . . . . A 25 LYS C . 30035 1 76 . 1 1 25 25 LYS CA C 13 58.46 0.1 . . . . . A 25 LYS CA . 30035 1 77 . 1 1 25 25 LYS CB C 13 29.36 0.1 . . . . . A 25 LYS CB . 30035 1 78 . 1 1 25 25 LYS N N 15 118.08 0.3 . . . . . A 25 LYS N . 30035 1 79 . 1 1 26 26 VAL C C 13 177.15 0.1 . . . . . A 26 VAL C . 30035 1 80 . 1 1 26 26 VAL CA C 13 65.6 0.1 . . . . . A 26 VAL CA . 30035 1 81 . 1 1 26 26 VAL CB C 13 30.87 0.1 . . . . . A 26 VAL CB . 30035 1 82 . 1 1 26 26 VAL CG1 C 13 21.55 0.1 . . . . . A 26 VAL CG1 . 30035 1 83 . 1 1 26 26 VAL N N 15 119.68 0.3 . . . . . A 26 VAL N . 30035 1 84 . 1 1 27 27 VAL C C 13 179.05 0.1 . . . . . A 27 VAL C . 30035 1 85 . 1 1 27 27 VAL CA C 13 65.64 0.1 . . . . . A 27 VAL CA . 30035 1 86 . 1 1 27 27 VAL CB C 13 31.72 0.1 . . . . . A 27 VAL CB . 30035 1 87 . 1 1 27 27 VAL N N 15 119.98 0.3 . . . . . A 27 VAL N . 30035 1 88 . 1 1 28 28 GLU C C 13 177.85 0.1 . . . . . A 28 GLU C . 30035 1 89 . 1 1 28 28 GLU CA C 13 58.64 0.1 . . . . . A 28 GLU CA . 30035 1 90 . 1 1 28 28 GLU CB C 13 29.76 0.1 . . . . . A 28 GLU CB . 30035 1 91 . 1 1 28 28 GLU N N 15 117.58 0.3 . . . . . A 28 GLU N . 30035 1 92 . 1 1 29 29 GLU C C 13 178.65 0.1 . . . . . A 29 GLU C . 30035 1 93 . 1 1 29 29 GLU CA C 13 58.09 0.1 . . . . . A 29 GLU CA . 30035 1 94 . 1 1 29 29 GLU CB C 13 30.31 0.1 . . . . . A 29 GLU CB . 30035 1 95 . 1 1 29 29 GLU N N 15 115.98 0.3 . . . . . A 29 GLU N . 30035 1 96 . 1 1 30 30 LYS C C 13 175.85 0.1 . . . . . A 30 LYS C . 30035 1 97 . 1 1 30 30 LYS CA C 13 56.39 0.1 . . . . . A 30 LYS CA . 30035 1 98 . 1 1 30 30 LYS N N 15 116.68 0.3 . . . . . A 30 LYS N . 30035 1 99 . 1 1 31 31 ALA N N 15 121.38 0.3 . . . . . A 31 ALA N . 30035 1 100 . 1 1 32 32 PHE C C 13 176.75 0.1 . . . . . A 32 PHE C . 30035 1 101 . 1 1 32 32 PHE CA C 13 56.8 0.1 . . . . . A 32 PHE CA . 30035 1 102 . 1 1 32 32 PHE CB C 13 39.5 0.1 . . . . . A 32 PHE CB . 30035 1 103 . 1 1 32 32 PHE N N 15 111.88 0.3 . . . . . A 32 PHE N . 30035 1 104 . 1 1 33 33 SER C C 13 173.85 0.1 . . . . . A 33 SER C . 30035 1 105 . 1 1 33 33 SER CA C 13 57.6 0.1 . . . . . A 33 SER CA . 30035 1 106 . 1 1 33 33 SER CB C 13 63.15 0.1 . . . . . A 33 SER CB . 30035 1 107 . 1 1 33 33 SER N N 15 113.68 0.3 . . . . . A 33 SER N . 30035 1 108 . 1 1 34 34 PRO C C 13 178.35 0.1 . . . . . A 34 PRO C . 30035 1 109 . 1 1 34 34 PRO CA C 13 66.03 0.1 . . . . . A 34 PRO CA . 30035 1 110 . 1 1 34 34 PRO CB C 13 31.82 0.1 . . . . . A 34 PRO CB . 30035 1 111 . 1 1 34 34 PRO CG C 13 27.64 0.1 . . . . . A 34 PRO CG . 30035 1 112 . 1 1 34 34 PRO CD C 13 50.22 0.1 . . . . . A 34 PRO CD . 30035 1 113 . 1 1 34 34 PRO N N 15 134.58 0.3 . . . . . A 34 PRO N . 30035 1 114 . 1 1 35 35 GLU C C 13 179.05 0.1 . . . . . A 35 GLU C . 30035 1 115 . 1 1 35 35 GLU CA C 13 58.87 0.1 . . . . . A 35 GLU CA . 30035 1 116 . 1 1 35 35 GLU CB C 13 29.58 0.1 . . . . . A 35 GLU CB . 30035 1 117 . 1 1 35 35 GLU N N 15 118.18 0.3 . . . . . A 35 GLU N . 30035 1 118 . 1 1 36 36 VAL C C 13 176.45 0.1 . . . . . A 36 VAL C . 30035 1 119 . 1 1 36 36 VAL CA C 13 65.37 0.1 . . . . . A 36 VAL CA . 30035 1 120 . 1 1 36 36 VAL CB C 13 31.55 0.1 . . . . . A 36 VAL CB . 30035 1 121 . 1 1 36 36 VAL CG1 C 13 21.41 0.1 . . . . . A 36 VAL CG1 . 30035 1 122 . 1 1 36 36 VAL N N 15 115.38 0.3 . . . . . A 36 VAL N . 30035 1 123 . 1 1 37 37 ILE C C 13 175.05 0.1 . . . . . A 37 ILE C . 30035 1 124 . 1 1 37 37 ILE CA C 13 67.52 0.1 . . . . . A 37 ILE CA . 30035 1 125 . 1 1 37 37 ILE CB C 13 34.52 0.1 . . . . . A 37 ILE CB . 30035 1 126 . 1 1 37 37 ILE CG1 C 13 30.36 0.1 . . . . . A 37 ILE CG1 . 30035 1 127 . 1 1 37 37 ILE CG2 C 13 18.25 0.1 . . . . . A 37 ILE CG2 . 30035 1 128 . 1 1 37 37 ILE N N 15 118.68 0.3 . . . . . A 37 ILE N . 30035 1 129 . 1 1 38 38 PRO C C 13 179.15 0.1 . . . . . A 38 PRO C . 30035 1 130 . 1 1 38 38 PRO CA C 13 64.82 0.1 . . . . . A 38 PRO CA . 30035 1 131 . 1 1 38 38 PRO CB C 13 30.21 0.1 . . . . . A 38 PRO CB . 30035 1 132 . 1 1 38 38 PRO CG C 13 27.82 0.1 . . . . . A 38 PRO CG . 30035 1 133 . 1 1 38 38 PRO CD C 13 49.01 0.1 . . . . . A 38 PRO CD . 30035 1 134 . 1 1 38 38 PRO N N 15 134.58 0.3 . . . . . A 38 PRO N . 30035 1 135 . 1 1 39 39 MET C C 13 176.65 0.1 . . . . . A 39 MET C . 30035 1 136 . 1 1 39 39 MET CA C 13 57.64 0.1 . . . . . A 39 MET CA . 30035 1 137 . 1 1 39 39 MET CB C 13 30.83 0.1 . . . . . A 39 MET CB . 30035 1 138 . 1 1 39 39 MET N N 15 116.48 0.3 . . . . . A 39 MET N . 30035 1 139 . 1 1 40 40 PHE C C 13 178.55 0.1 . . . . . A 40 PHE C . 30035 1 140 . 1 1 40 40 PHE CA C 13 61.56 0.1 . . . . . A 40 PHE CA . 30035 1 141 . 1 1 40 40 PHE CB C 13 37.87 0.1 . . . . . A 40 PHE CB . 30035 1 142 . 1 1 40 40 PHE N N 15 121.08 0.3 . . . . . A 40 PHE N . 30035 1 143 . 1 1 41 41 SER C C 13 175.75 0.1 . . . . . A 41 SER C . 30035 1 144 . 1 1 41 41 SER CA C 13 62.05 0.1 . . . . . A 41 SER CA . 30035 1 145 . 1 1 41 41 SER CB C 13 62.38 0.1 . . . . . A 41 SER CB . 30035 1 146 . 1 1 41 41 SER N N 15 114.48 0.3 . . . . . A 41 SER N . 30035 1 147 . 1 1 42 42 ALA C C 13 180.25 0.1 . . . . . A 42 ALA C . 30035 1 148 . 1 1 42 42 ALA CA C 13 54.14 0.1 . . . . . A 42 ALA CA . 30035 1 149 . 1 1 42 42 ALA CB C 13 18.99 0.1 . . . . . A 42 ALA CB . 30035 1 150 . 1 1 42 42 ALA N N 15 121.48 0.3 . . . . . A 42 ALA N . 30035 1 151 . 1 1 43 43 LEU C C 13 175.85 0.1 . . . . . A 43 LEU C . 30035 1 152 . 1 1 43 43 LEU CA C 13 55.65 0.1 . . . . . A 43 LEU CA . 30035 1 153 . 1 1 43 43 LEU CB C 13 41.9 0.1 . . . . . A 43 LEU CB . 30035 1 154 . 1 1 43 43 LEU N N 15 115.88 0.3 . . . . . A 43 LEU N . 30035 1 155 . 1 1 44 44 SER C C 13 174.75 0.1 . . . . . A 44 SER C . 30035 1 156 . 1 1 44 44 SER CA C 13 56.87 0.1 . . . . . A 44 SER CA . 30035 1 157 . 1 1 44 44 SER CB C 13 63.43 0.1 . . . . . A 44 SER CB . 30035 1 158 . 1 1 44 44 SER N N 15 109.08 0.3 . . . . . A 44 SER N . 30035 1 159 . 1 1 45 45 GLU C C 13 178.05 0.1 . . . . . A 45 GLU C . 30035 1 160 . 1 1 45 45 GLU CA C 13 57.96 0.1 . . . . . A 45 GLU CA . 30035 1 161 . 1 1 45 45 GLU CB C 13 29.11 0.1 . . . . . A 45 GLU CB . 30035 1 162 . 1 1 45 45 GLU CG C 13 35.28 0.1 . . . . . A 45 GLU CG . 30035 1 163 . 1 1 45 45 GLU N N 15 125.08 0.3 . . . . . A 45 GLU N . 30035 1 164 . 1 1 46 46 GLY C C 13 174.05 0.1 . . . . . A 46 GLY C . 30035 1 165 . 1 1 46 46 GLY CA C 13 45.72 0.1 . . . . . A 46 GLY CA . 30035 1 166 . 1 1 46 46 GLY N N 15 115.78 0.3 . . . . . A 46 GLY N . 30035 1 167 . 1 1 47 47 ALA C C 13 178.15 0.1 . . . . . A 47 ALA C . 30035 1 168 . 1 1 47 47 ALA CA C 13 52.87 0.1 . . . . . A 47 ALA CA . 30035 1 169 . 1 1 47 47 ALA CB C 13 20.08 0.1 . . . . . A 47 ALA CB . 30035 1 170 . 1 1 47 47 ALA N N 15 119.78 0.3 . . . . . A 47 ALA N . 30035 1 171 . 1 1 48 48 THR C C 13 174.35 0.1 . . . . . A 48 THR C . 30035 1 172 . 1 1 48 48 THR CA C 13 59.49 0.1 . . . . . A 48 THR CA . 30035 1 173 . 1 1 48 48 THR CB C 13 69.03 0.1 . . . . . A 48 THR CB . 30035 1 174 . 1 1 48 48 THR CG2 C 13 21.86 0.1 . . . . . A 48 THR CG2 . 30035 1 175 . 1 1 48 48 THR N N 15 108.88 0.3 . . . . . A 48 THR N . 30035 1 176 . 1 1 49 49 PRO C C 13 176.65 0.1 . . . . . A 49 PRO C . 30035 1 177 . 1 1 49 49 PRO CA C 13 66.83 0.1 . . . . . A 49 PRO CA . 30035 1 178 . 1 1 49 49 PRO CB C 13 29.83 0.1 . . . . . A 49 PRO CB . 30035 1 179 . 1 1 49 49 PRO CG C 13 27.92 0.1 . . . . . A 49 PRO CG . 30035 1 180 . 1 1 49 49 PRO CD C 13 49.77 0.1 . . . . . A 49 PRO CD . 30035 1 181 . 1 1 49 49 PRO N N 15 132.68 0.3 . . . . . A 49 PRO N . 30035 1 182 . 1 1 50 50 GLN C C 13 177.45 0.1 . . . . . A 50 GLN C . 30035 1 183 . 1 1 50 50 GLN CA C 13 58.8 0.1 . . . . . A 50 GLN CA . 30035 1 184 . 1 1 50 50 GLN CB C 13 29.88 0.1 . . . . . A 50 GLN CB . 30035 1 185 . 1 1 50 50 GLN CG C 13 32.73 0.1 . . . . . A 50 GLN CG . 30035 1 186 . 1 1 50 50 GLN N N 15 116.28 0.3 . . . . . A 50 GLN N . 30035 1 187 . 1 1 51 51 ASP C C 13 179.55 0.1 . . . . . A 51 ASP C . 30035 1 188 . 1 1 51 51 ASP CA C 13 57.66 0.1 . . . . . A 51 ASP CA . 30035 1 189 . 1 1 51 51 ASP CB C 13 41.83 0.1 . . . . . A 51 ASP CB . 30035 1 190 . 1 1 51 51 ASP N N 15 117.68 0.3 . . . . . A 51 ASP N . 30035 1 191 . 1 1 52 52 LEU C C 13 178.35 0.1 . . . . . A 52 LEU C . 30035 1 192 . 1 1 52 52 LEU CA C 13 57.93 0.1 . . . . . A 52 LEU CA . 30035 1 193 . 1 1 52 52 LEU CB C 13 42.04 0.1 . . . . . A 52 LEU CB . 30035 1 194 . 1 1 52 52 LEU N N 15 120.38 0.3 . . . . . A 52 LEU N . 30035 1 195 . 1 1 53 53 ASN C C 13 177.85 0.1 . . . . . A 53 ASN C . 30035 1 196 . 1 1 53 53 ASN CA C 13 56.03 0.1 . . . . . A 53 ASN CA . 30035 1 197 . 1 1 53 53 ASN CB C 13 38.32 0.1 . . . . . A 53 ASN CB . 30035 1 198 . 1 1 53 53 ASN N N 15 115.58 0.3 . . . . . A 53 ASN N . 30035 1 199 . 1 1 54 54 THR C C 13 176.25 0.1 . . . . . A 54 THR C . 30035 1 200 . 1 1 54 54 THR CA C 13 67.09 0.1 . . . . . A 54 THR CA . 30035 1 201 . 1 1 54 54 THR CB C 13 67.94 0.1 . . . . . A 54 THR CB . 30035 1 202 . 1 1 54 54 THR CG2 C 13 23.24 0.1 . . . . . A 54 THR CG2 . 30035 1 203 . 1 1 54 54 THR N N 15 119.58 0.3 . . . . . A 54 THR N . 30035 1 204 . 1 1 55 55 MET C C 13 179.45 0.1 . . . . . A 55 MET C . 30035 1 205 . 1 1 55 55 MET CA C 13 60.02 0.1 . . . . . A 55 MET CA . 30035 1 206 . 1 1 55 55 MET CB C 13 32.71 0.1 . . . . . A 55 MET CB . 30035 1 207 . 1 1 55 55 MET N N 15 119.18 0.3 . . . . . A 55 MET N . 30035 1 208 . 1 1 56 56 LEU C C 13 178.05 0.1 . . . . . A 56 LEU C . 30035 1 209 . 1 1 56 56 LEU CA C 13 58.7 0.1 . . . . . A 56 LEU CA . 30035 1 210 . 1 1 56 56 LEU CB C 13 41.55 0.1 . . . . . A 56 LEU CB . 30035 1 211 . 1 1 56 56 LEU CG C 13 26.78 0.1 . . . . . A 56 LEU CG . 30035 1 212 . 1 1 56 56 LEU N N 15 121.98 0.3 . . . . . A 56 LEU N . 30035 1 213 . 1 1 57 57 ASN C C 13 176.75 0.1 . . . . . A 57 ASN C . 30035 1 214 . 1 1 57 57 ASN CA C 13 54.55 0.1 . . . . . A 57 ASN CA . 30035 1 215 . 1 1 57 57 ASN CB C 13 38.1 0.1 . . . . . A 57 ASN CB . 30035 1 216 . 1 1 57 57 ASN N N 15 115.48 0.3 . . . . . A 57 ASN N . 30035 1 217 . 1 1 58 58 THR C C 13 174.15 0.1 . . . . . A 58 THR C . 30035 1 218 . 1 1 58 58 THR CA C 13 63.17 0.1 . . . . . A 58 THR CA . 30035 1 219 . 1 1 58 58 THR N N 15 107.98 0.3 . . . . . A 58 THR N . 30035 1 220 . 1 1 59 59 VAL C C 13 176.55 0.1 . . . . . A 59 VAL C . 30035 1 221 . 1 1 59 59 VAL CA C 13 63.97 0.1 . . . . . A 59 VAL CA . 30035 1 222 . 1 1 59 59 VAL CB C 13 32.16 0.1 . . . . . A 59 VAL CB . 30035 1 223 . 1 1 59 59 VAL CG1 C 13 22.06 0.1 . . . . . A 59 VAL CG1 . 30035 1 224 . 1 1 59 59 VAL N N 15 120.88 0.3 . . . . . A 59 VAL N . 30035 1 225 . 1 1 60 60 GLY C C 13 174.15 0.1 . . . . . A 60 GLY C . 30035 1 226 . 1 1 60 60 GLY CA C 13 44.85 0.1 . . . . . A 60 GLY CA . 30035 1 227 . 1 1 60 60 GLY N N 15 116.38 0.3 . . . . . A 60 GLY N . 30035 1 228 . 1 1 61 61 GLY C C 13 174.25 0.1 . . . . . A 61 GLY C . 30035 1 229 . 1 1 61 61 GLY CA C 13 45.14 0.1 . . . . . A 61 GLY CA . 30035 1 230 . 1 1 62 62 HIS N N 15 119.48 0.3 . . . . . A 62 HIS N . 30035 1 231 . 1 1 63 63 GLN C C 13 178.85 0.1 . . . . . A 63 GLN C . 30035 1 232 . 1 1 63 63 GLN CA C 13 59.87 0.1 . . . . . A 63 GLN CA . 30035 1 233 . 1 1 63 63 GLN CB C 13 30.06 0.1 . . . . . A 63 GLN CB . 30035 1 234 . 1 1 63 63 GLN N N 15 119.98 0.3 . . . . . A 63 GLN N . 30035 1 235 . 1 1 64 64 ALA C C 13 178.55 0.1 . . . . . A 64 ALA C . 30035 1 236 . 1 1 64 64 ALA CA C 13 55.68 0.1 . . . . . A 64 ALA CA . 30035 1 237 . 1 1 64 64 ALA CB C 13 18.36 0.1 . . . . . A 64 ALA CB . 30035 1 238 . 1 1 64 64 ALA N N 15 124.18 0.3 . . . . . A 64 ALA N . 30035 1 239 . 1 1 65 65 ALA C C 13 179.45 0.1 . . . . . A 65 ALA C . 30035 1 240 . 1 1 65 65 ALA CA C 13 54.78 0.1 . . . . . A 65 ALA CA . 30035 1 241 . 1 1 65 65 ALA CB C 13 18.29 0.1 . . . . . A 65 ALA CB . 30035 1 242 . 1 1 65 65 ALA N N 15 121.08 0.3 . . . . . A 65 ALA N . 30035 1 243 . 1 1 66 66 MET C C 13 179.05 0.1 . . . . . A 66 MET C . 30035 1 244 . 1 1 66 66 MET CA C 13 56.14 0.1 . . . . . A 66 MET CA . 30035 1 245 . 1 1 66 66 MET CB C 13 29.9 0.1 . . . . . A 66 MET CB . 30035 1 246 . 1 1 66 66 MET N N 15 113.08 0.3 . . . . . A 66 MET N . 30035 1 247 . 1 1 67 67 GLN N N 15 121.08 0.3 . . . . . A 67 GLN N . 30035 1 248 . 1 1 69 69 LEU C C 13 181.25 0.1 . . . . . A 69 LEU C . 30035 1 249 . 1 1 69 69 LEU CA C 13 57.24 0.1 . . . . . A 69 LEU CA . 30035 1 250 . 1 1 69 69 LEU CB C 13 41.53 0.1 . . . . . A 69 LEU CB . 30035 1 251 . 1 1 69 69 LEU N N 15 117.88 0.3 . . . . . A 69 LEU N . 30035 1 252 . 1 1 70 70 LYS C C 13 178.35 0.1 . . . . . A 70 LYS C . 30035 1 253 . 1 1 70 70 LYS CA C 13 58.76 0.1 . . . . . A 70 LYS CA . 30035 1 254 . 1 1 70 70 LYS CB C 13 31.52 0.1 . . . . . A 70 LYS CB . 30035 1 255 . 1 1 70 70 LYS N N 15 119.48 0.3 . . . . . A 70 LYS N . 30035 1 256 . 1 1 71 71 GLU C C 13 178.65 0.1 . . . . . A 71 GLU C . 30035 1 257 . 1 1 71 71 GLU CA C 13 58.78 0.1 . . . . . A 71 GLU CA . 30035 1 258 . 1 1 71 71 GLU N N 15 119.08 0.3 . . . . . A 71 GLU N . 30035 1 259 . 1 1 72 72 THR C C 13 176.45 0.1 . . . . . A 72 THR C . 30035 1 260 . 1 1 72 72 THR CA C 13 66.87 0.1 . . . . . A 72 THR CA . 30035 1 261 . 1 1 72 72 THR CB C 13 67.99 0.1 . . . . . A 72 THR CB . 30035 1 262 . 1 1 72 72 THR N N 15 116.38 0.3 . . . . . A 72 THR N . 30035 1 263 . 1 1 73 73 ILE C C 13 176.65 0.1 . . . . . A 73 ILE C . 30035 1 264 . 1 1 73 73 ILE CA C 13 65.58 0.1 . . . . . A 73 ILE CA . 30035 1 265 . 1 1 73 73 ILE CB C 13 37.61 0.1 . . . . . A 73 ILE CB . 30035 1 266 . 1 1 73 73 ILE CG2 C 13 18.03 0.1 . . . . . A 73 ILE CG2 . 30035 1 267 . 1 1 73 73 ILE N N 15 122.28 0.3 . . . . . A 73 ILE N . 30035 1 268 . 1 1 74 74 ASN C C 13 177.95 0.1 . . . . . A 74 ASN C . 30035 1 269 . 1 1 74 74 ASN CA C 13 55.69 0.1 . . . . . A 74 ASN CA . 30035 1 270 . 1 1 74 74 ASN CB C 13 37.53 0.1 . . . . . A 74 ASN CB . 30035 1 271 . 1 1 74 74 ASN N N 15 116.88 0.3 . . . . . A 74 ASN N . 30035 1 272 . 1 1 75 75 GLU C C 13 177.95 0.1 . . . . . A 75 GLU C . 30035 1 273 . 1 1 75 75 GLU CA C 13 57.92 0.1 . . . . . A 75 GLU CA . 30035 1 274 . 1 1 75 75 GLU CB C 13 29.27 0.1 . . . . . A 75 GLU CB . 30035 1 275 . 1 1 75 75 GLU N N 15 121.48 0.3 . . . . . A 75 GLU N . 30035 1 276 . 1 1 76 76 GLU C C 13 179.25 0.1 . . . . . A 76 GLU C . 30035 1 277 . 1 1 76 76 GLU CA C 13 57.74 0.1 . . . . . A 76 GLU CA . 30035 1 278 . 1 1 76 76 GLU CB C 13 26.73 0.1 . . . . . A 76 GLU CB . 30035 1 279 . 1 1 76 76 GLU N N 15 120.38 0.3 . . . . . A 76 GLU N . 30035 1 280 . 1 1 77 77 ALA C C 13 178.55 0.1 . . . . . A 77 ALA C . 30035 1 281 . 1 1 77 77 ALA CA C 13 54.55 0.1 . . . . . A 77 ALA CA . 30035 1 282 . 1 1 77 77 ALA CB C 13 17.44 0.1 . . . . . A 77 ALA CB . 30035 1 283 . 1 1 77 77 ALA N N 15 123.48 0.3 . . . . . A 77 ALA N . 30035 1 284 . 1 1 78 78 ALA C C 13 181.25 0.1 . . . . . A 78 ALA C . 30035 1 285 . 1 1 78 78 ALA CA C 13 54.4 0.1 . . . . . A 78 ALA CA . 30035 1 286 . 1 1 78 78 ALA CB C 13 17.65 0.1 . . . . . A 78 ALA CB . 30035 1 287 . 1 1 78 78 ALA N N 15 118.98 0.3 . . . . . A 78 ALA N . 30035 1 288 . 1 1 79 79 GLU C C 13 178.05 0.1 . . . . . A 79 GLU C . 30035 1 289 . 1 1 79 79 GLU CA C 13 58.57 0.1 . . . . . A 79 GLU CA . 30035 1 290 . 1 1 79 79 GLU CB C 13 28.9 0.1 . . . . . A 79 GLU CB . 30035 1 291 . 1 1 79 79 GLU N N 15 120.88 0.3 . . . . . A 79 GLU N . 30035 1 292 . 1 1 80 80 TRP CA C 13 61.92 0.1 . . . . . A 80 TRP CA . 30035 1 293 . 1 1 80 80 TRP CB C 13 27.61 0.1 . . . . . A 80 TRP CB . 30035 1 294 . 1 1 80 80 TRP CG C 13 109.95 0.1 . . . . . A 80 TRP CG . 30035 1 295 . 1 1 80 80 TRP N N 15 121.38 0.3 . . . . . A 80 TRP N . 30035 1 296 . 1 1 81 81 ASP C C 13 177.65 0.1 . . . . . A 81 ASP C . 30035 1 297 . 1 1 81 81 ASP CA C 13 56.18 0.1 . . . . . A 81 ASP CA . 30035 1 298 . 1 1 81 81 ASP CB C 13 37.25 0.1 . . . . . A 81 ASP CB . 30035 1 299 . 1 1 81 81 ASP N N 15 116.88 0.3 . . . . . A 81 ASP N . 30035 1 300 . 1 1 82 82 ARG C C 13 177.65 0.1 . . . . . A 82 ARG C . 30035 1 301 . 1 1 82 82 ARG CA C 13 58.82 0.1 . . . . . A 82 ARG CA . 30035 1 302 . 1 1 82 82 ARG CB C 13 30.26 0.1 . . . . . A 82 ARG CB . 30035 1 303 . 1 1 82 82 ARG CG C 13 27.73 0.1 . . . . . A 82 ARG CG . 30035 1 304 . 1 1 82 82 ARG N N 15 119.78 0.3 . . . . . A 82 ARG N . 30035 1 305 . 1 1 83 83 LEU C C 13 175.95 0.1 . . . . . A 83 LEU C . 30035 1 306 . 1 1 83 83 LEU CA C 13 54.97 0.1 . . . . . A 83 LEU CA . 30035 1 307 . 1 1 83 83 LEU CB C 13 42.48 0.1 . . . . . A 83 LEU CB . 30035 1 308 . 1 1 83 83 LEU N N 15 116.58 0.3 . . . . . A 83 LEU N . 30035 1 309 . 1 1 84 84 HIS C C 13 170.55 0.1 . . . . . A 84 HIS C . 30035 1 310 . 1 1 84 84 HIS CA C 13 52.76 0.1 . . . . . A 84 HIS CA . 30035 1 311 . 1 1 84 84 HIS CB C 13 27.58 0.1 . . . . . A 84 HIS CB . 30035 1 312 . 1 1 84 84 HIS N N 15 116.68 0.3 . . . . . A 84 HIS N . 30035 1 313 . 1 1 85 85 PRO C C 13 176.65 0.1 . . . . . A 85 PRO C . 30035 1 314 . 1 1 85 85 PRO CA C 13 62.76 0.1 . . . . . A 85 PRO CA . 30035 1 315 . 1 1 85 85 PRO CB C 13 31.64 0.1 . . . . . A 85 PRO CB . 30035 1 316 . 1 1 85 85 PRO CG C 13 26.96 0.1 . . . . . A 85 PRO CG . 30035 1 317 . 1 1 85 85 PRO CD C 13 49.98 0.1 . . . . . A 85 PRO CD . 30035 1 318 . 1 1 85 85 PRO N N 15 137.78 0.3 . . . . . A 85 PRO N . 30035 1 319 . 1 1 86 86 VAL C C 13 175.95 0.1 . . . . . A 86 VAL C . 30035 1 320 . 1 1 86 86 VAL CA C 13 62.03 0.1 . . . . . A 86 VAL CA . 30035 1 321 . 1 1 86 86 VAL CB C 13 32.9 0.1 . . . . . A 86 VAL CB . 30035 1 322 . 1 1 86 86 VAL N N 15 120.58 0.3 . . . . . A 86 VAL N . 30035 1 323 . 1 1 87 87 HIS C C 13 174.35 0.1 . . . . . A 87 HIS C . 30035 1 324 . 1 1 87 87 HIS CA C 13 55.43 0.1 . . . . . A 87 HIS CA . 30035 1 325 . 1 1 87 87 HIS N N 15 122.38 0.3 . . . . . A 87 HIS N . 30035 1 326 . 1 1 88 88 ALA C C 13 177.35 0.1 . . . . . A 88 ALA C . 30035 1 327 . 1 1 88 88 ALA CA C 13 52.09 0.1 . . . . . A 88 ALA CA . 30035 1 328 . 1 1 88 88 ALA CB C 13 19.08 0.1 . . . . . A 88 ALA CB . 30035 1 329 . 1 1 88 88 ALA N N 15 127.28 0.3 . . . . . A 88 ALA N . 30035 1 330 . 1 1 89 89 GLY C C 13 171.25 0.1 . . . . . A 89 GLY C . 30035 1 331 . 1 1 89 89 GLY CA C 13 44.53 0.1 . . . . . A 89 GLY CA . 30035 1 332 . 1 1 89 89 GLY N N 15 108.68 0.3 . . . . . A 89 GLY N . 30035 1 333 . 1 1 90 90 PRO N N 15 136.18 0.3 . . . . . A 90 PRO N . 30035 1 334 . 1 1 91 91 ILE C C 13 175.55 0.1 . . . . . A 91 ILE C . 30035 1 335 . 1 1 91 91 ILE CA C 13 59.9 0.1 . . . . . A 91 ILE CA . 30035 1 336 . 1 1 91 91 ILE N N 15 121.38 0.3 . . . . . A 91 ILE N . 30035 1 337 . 1 1 92 92 ALA C C 13 174.85 0.1 . . . . . A 92 ALA C . 30035 1 338 . 1 1 92 92 ALA CA C 13 50.53 0.1 . . . . . A 92 ALA CA . 30035 1 339 . 1 1 92 92 ALA CB C 13 17.88 0.1 . . . . . A 92 ALA CB . 30035 1 340 . 1 1 92 92 ALA N N 15 130.08 0.3 . . . . . A 92 ALA N . 30035 1 341 . 1 1 93 93 PRO C C 13 178.05 0.1 . . . . . A 93 PRO C . 30035 1 342 . 1 1 93 93 PRO CA C 13 63.62 0.1 . . . . . A 93 PRO CA . 30035 1 343 . 1 1 93 93 PRO CB C 13 32.42 0.1 . . . . . A 93 PRO CB . 30035 1 344 . 1 1 93 93 PRO N N 15 133.98 0.3 . . . . . A 93 PRO N . 30035 1 345 . 1 1 94 94 GLY C C 13 174.25 0.1 . . . . . A 94 GLY C . 30035 1 346 . 1 1 94 94 GLY CA C 13 45.35 0.1 . . . . . A 94 GLY CA . 30035 1 347 . 1 1 94 94 GLY N N 15 111.68 0.3 . . . . . A 94 GLY N . 30035 1 348 . 1 1 95 95 GLN N N 15 119.68 0.3 . . . . . A 95 GLN N . 30035 1 349 . 1 1 98 98 GLU C C 13 174.25 0.1 . . . . . A 98 GLU C . 30035 1 350 . 1 1 98 98 GLU CA C 13 54.19 0.1 . . . . . A 98 GLU CA . 30035 1 351 . 1 1 98 98 GLU CB C 13 29.35 0.1 . . . . . A 98 GLU CB . 30035 1 352 . 1 1 98 98 GLU N N 15 122.88 0.3 . . . . . A 98 GLU N . 30035 1 353 . 1 1 99 99 PRO C C 13 176.95 0.1 . . . . . A 99 PRO C . 30035 1 354 . 1 1 99 99 PRO CA C 13 62.33 0.1 . . . . . A 99 PRO CA . 30035 1 355 . 1 1 99 99 PRO CB C 13 30.15 0.1 . . . . . A 99 PRO CB . 30035 1 356 . 1 1 99 99 PRO CG C 13 27.62 0.1 . . . . . A 99 PRO CG . 30035 1 357 . 1 1 99 99 PRO CD C 13 48.82 0.1 . . . . . A 99 PRO CD . 30035 1 358 . 1 1 99 99 PRO N N 15 134.08 0.3 . . . . . A 99 PRO N . 30035 1 359 . 1 1 100 100 ARG C C 13 178.55 0.1 . . . . . A 100 ARG C . 30035 1 360 . 1 1 100 100 ARG CA C 13 52.89 0.1 . . . . . A 100 ARG CA . 30035 1 361 . 1 1 100 100 ARG CB C 13 30.8 0.1 . . . . . A 100 ARG CB . 30035 1 362 . 1 1 100 100 ARG N N 15 120.98 0.3 . . . . . A 100 ARG N . 30035 1 363 . 1 1 101 101 GLY C C 13 175.85 0.1 . . . . . A 101 GLY C . 30035 1 364 . 1 1 101 101 GLY CA C 13 48.29 0.1 . . . . . A 101 GLY CA . 30035 1 365 . 1 1 101 101 GLY N N 15 116.48 0.3 . . . . . A 101 GLY N . 30035 1 366 . 1 1 102 102 SER C C 13 176.65 0.1 . . . . . A 102 SER C . 30035 1 367 . 1 1 102 102 SER CA C 13 60.63 0.1 . . . . . A 102 SER CA . 30035 1 368 . 1 1 102 102 SER CB C 13 61.72 0.1 . . . . . A 102 SER CB . 30035 1 369 . 1 1 102 102 SER N N 15 114.58 0.3 . . . . . A 102 SER N . 30035 1 370 . 1 1 103 103 ASP C C 13 179.65 0.1 . . . . . A 103 ASP C . 30035 1 371 . 1 1 103 103 ASP CA C 13 56.56 0.1 . . . . . A 103 ASP CA . 30035 1 372 . 1 1 103 103 ASP CB C 13 41.26 0.1 . . . . . A 103 ASP CB . 30035 1 373 . 1 1 103 103 ASP N N 15 122.48 0.3 . . . . . A 103 ASP N . 30035 1 374 . 1 1 104 104 ILE C C 13 172.45 0.1 . . . . . A 104 ILE C . 30035 1 375 . 1 1 104 104 ILE CA C 13 65.58 0.1 . . . . . A 104 ILE CA . 30035 1 376 . 1 1 104 104 ILE CB C 13 36.63 0.1 . . . . . A 104 ILE CB . 30035 1 377 . 1 1 104 104 ILE CG1 C 13 30.36 0.1 . . . . . A 104 ILE CG1 . 30035 1 378 . 1 1 104 104 ILE CG2 C 13 16.82 0.1 . . . . . A 104 ILE CG2 . 30035 1 379 . 1 1 104 104 ILE N N 15 125.58 0.3 . . . . . A 104 ILE N . 30035 1 380 . 1 1 105 105 ALA C C 13 177.05 0.1 . . . . . A 105 ALA C . 30035 1 381 . 1 1 105 105 ALA CA C 13 50.35 0.1 . . . . . A 105 ALA CA . 30035 1 382 . 1 1 105 105 ALA CB C 13 18.4 0.1 . . . . . A 105 ALA CB . 30035 1 383 . 1 1 105 105 ALA N N 15 111.68 0.3 . . . . . A 105 ALA N . 30035 1 384 . 1 1 106 106 GLY C C 13 173.55 0.1 . . . . . A 106 GLY C . 30035 1 385 . 1 1 106 106 GLY CA C 13 45.3 0.1 . . . . . A 106 GLY CA . 30035 1 386 . 1 1 106 106 GLY N N 15 101.98 0.3 . . . . . A 106 GLY N . 30035 1 387 . 1 1 107 107 THR C C 13 176.95 0.1 . . . . . A 107 THR C . 30035 1 388 . 1 1 107 107 THR CA C 13 63.73 0.1 . . . . . A 107 THR CA . 30035 1 389 . 1 1 107 107 THR CB C 13 68.66 0.1 . . . . . A 107 THR CB . 30035 1 390 . 1 1 107 107 THR CG2 C 13 22.54 0.1 . . . . . A 107 THR CG2 . 30035 1 391 . 1 1 107 107 THR N N 15 112.98 0.3 . . . . . A 107 THR N . 30035 1 392 . 1 1 108 108 THR C C 13 173.05 0.1 . . . . . A 108 THR C . 30035 1 393 . 1 1 108 108 THR CA C 13 60.69 0.1 . . . . . A 108 THR CA . 30035 1 394 . 1 1 108 108 THR CB C 13 69.15 0.1 . . . . . A 108 THR CB . 30035 1 395 . 1 1 108 108 THR CG2 C 13 20.23 0.1 . . . . . A 108 THR CG2 . 30035 1 396 . 1 1 108 108 THR N N 15 105.68 0.3 . . . . . A 108 THR N . 30035 1 397 . 1 1 109 109 SER C C 13 173.85 0.1 . . . . . A 109 SER C . 30035 1 398 . 1 1 109 109 SER CA C 13 53.88 0.1 . . . . . A 109 SER CA . 30035 1 399 . 1 1 109 109 SER CB C 13 66.64 0.1 . . . . . A 109 SER CB . 30035 1 400 . 1 1 109 109 SER N N 15 111.98 0.3 . . . . . A 109 SER N . 30035 1 401 . 1 1 110 110 THR C C 13 175.55 0.1 . . . . . A 110 THR C . 30035 1 402 . 1 1 110 110 THR CA C 13 59.17 0.1 . . . . . A 110 THR CA . 30035 1 403 . 1 1 110 110 THR CB C 13 71.09 0.1 . . . . . A 110 THR CB . 30035 1 404 . 1 1 110 110 THR CG2 C 13 21.84 0.1 . . . . . A 110 THR CG2 . 30035 1 405 . 1 1 110 110 THR N N 15 112.28 0.3 . . . . . A 110 THR N . 30035 1 406 . 1 1 111 111 LEU C C 13 178.25 0.1 . . . . . A 111 LEU C . 30035 1 407 . 1 1 111 111 LEU CA C 13 57.8 0.1 . . . . . A 111 LEU CA . 30035 1 408 . 1 1 111 111 LEU CB C 13 40.56 0.1 . . . . . A 111 LEU CB . 30035 1 409 . 1 1 111 111 LEU N N 15 122.48 0.3 . . . . . A 111 LEU N . 30035 1 410 . 1 1 112 112 GLN C C 13 179.55 0.1 . . . . . A 112 GLN C . 30035 1 411 . 1 1 112 112 GLN CA C 13 59.39 0.1 . . . . . A 112 GLN CA . 30035 1 412 . 1 1 112 112 GLN CB C 13 27.67 0.1 . . . . . A 112 GLN CB . 30035 1 413 . 1 1 112 112 GLN CG C 13 34.06 0.1 . . . . . A 112 GLN CG . 30035 1 414 . 1 1 112 112 GLN N N 15 115.48 0.3 . . . . . A 112 GLN N . 30035 1 415 . 1 1 113 113 GLU C C 13 179.15 0.1 . . . . . A 113 GLU C . 30035 1 416 . 1 1 113 113 GLU CA C 13 58.12 0.1 . . . . . A 113 GLU CA . 30035 1 417 . 1 1 113 113 GLU CB C 13 26.94 0.1 . . . . . A 113 GLU CB . 30035 1 418 . 1 1 113 113 GLU N N 15 120.28 0.3 . . . . . A 113 GLU N . 30035 1 419 . 1 1 114 114 GLN CA C 13 59.88 0.1 . . . . . A 114 GLN CA . 30035 1 420 . 1 1 114 114 GLN CB C 13 29.72 0.1 . . . . . A 114 GLN CB . 30035 1 421 . 1 1 114 114 GLN CG C 13 35.21 0.1 . . . . . A 114 GLN CG . 30035 1 422 . 1 1 114 114 GLN N N 15 119.38 0.3 . . . . . A 114 GLN N . 30035 1 423 . 1 1 115 115 ILE C C 13 179.45 0.1 . . . . . A 115 ILE C . 30035 1 424 . 1 1 115 115 ILE CA C 13 65.44 0.1 . . . . . A 115 ILE CA . 30035 1 425 . 1 1 115 115 ILE CB C 13 38.44 0.1 . . . . . A 115 ILE CB . 30035 1 426 . 1 1 115 115 ILE CG1 C 13 28.38 0.1 . . . . . A 115 ILE CG1 . 30035 1 427 . 1 1 115 115 ILE CG2 C 13 17 0.1 . . . . . A 115 ILE CG2 . 30035 1 428 . 1 1 115 115 ILE N N 15 117.98 0.3 . . . . . A 115 ILE N . 30035 1 429 . 1 1 116 116 GLY C C 13 175.85 0.1 . . . . . A 116 GLY C . 30035 1 430 . 1 1 116 116 GLY CA C 13 47 0.1 . . . . . A 116 GLY CA . 30035 1 431 . 1 1 116 116 GLY N N 15 110.48 0.3 . . . . . A 116 GLY N . 30035 1 432 . 1 1 117 117 TRP C C 13 178.65 0.1 . . . . . A 117 TRP C . 30035 1 433 . 1 1 117 117 TRP CA C 13 61.96 0.1 . . . . . A 117 TRP CA . 30035 1 434 . 1 1 117 117 TRP CB C 13 27.37 0.1 . . . . . A 117 TRP CB . 30035 1 435 . 1 1 117 117 TRP CG C 13 112.45 0.1 . . . . . A 117 TRP CG . 30035 1 436 . 1 1 117 117 TRP N N 15 121.18 0.3 . . . . . A 117 TRP N . 30035 1 437 . 1 1 118 118 MET C C 13 177.25 0.1 . . . . . A 118 MET C . 30035 1 438 . 1 1 118 118 MET CA C 13 59.41 0.1 . . . . . A 118 MET CA . 30035 1 439 . 1 1 118 118 MET CB C 13 34.82 0.1 . . . . . A 118 MET CB . 30035 1 440 . 1 1 118 118 MET CG C 13 32.81 0.1 . . . . . A 118 MET CG . 30035 1 441 . 1 1 118 118 MET N N 15 115.78 0.3 . . . . . A 118 MET N . 30035 1 442 . 1 1 119 119 THR C C 13 173.45 0.1 . . . . . A 119 THR C . 30035 1 443 . 1 1 119 119 THR CA C 13 60.75 0.1 . . . . . A 119 THR CA . 30035 1 444 . 1 1 119 119 THR CB C 13 69.77 0.1 . . . . . A 119 THR CB . 30035 1 445 . 1 1 119 119 THR CG2 C 13 21.38 0.1 . . . . . A 119 THR CG2 . 30035 1 446 . 1 1 119 119 THR N N 15 104.18 0.3 . . . . . A 119 THR N . 30035 1 447 . 1 1 120 120 HIS C C 13 172.35 0.1 . . . . . A 120 HIS C . 30035 1 448 . 1 1 120 120 HIS CA C 13 57.13 0.1 . . . . . A 120 HIS CA . 30035 1 449 . 1 1 120 120 HIS CB C 13 28.76 0.1 . . . . . A 120 HIS CB . 30035 1 450 . 1 1 120 120 HIS N N 15 123.78 0.3 . . . . . A 120 HIS N . 30035 1 451 . 1 1 121 121 ASN C C 13 172.35 0.1 . . . . . A 121 ASN C . 30035 1 452 . 1 1 121 121 ASN CA C 13 48.89 0.1 . . . . . A 121 ASN CA . 30035 1 453 . 1 1 121 121 ASN CB C 13 39.74 0.1 . . . . . A 121 ASN CB . 30035 1 454 . 1 1 121 121 ASN CG C 13 177.15 0.1 . . . . . A 121 ASN CG . 30035 1 455 . 1 1 121 121 ASN N N 15 118.78 0.3 . . . . . A 121 ASN N . 30035 1 456 . 1 1 122 122 PRO C C 13 174.75 0.1 . . . . . A 122 PRO C . 30035 1 457 . 1 1 122 122 PRO CA C 13 61.98 0.1 . . . . . A 122 PRO CA . 30035 1 458 . 1 1 122 122 PRO CB C 13 32.76 0.1 . . . . . A 122 PRO CB . 30035 1 459 . 1 1 122 122 PRO CG C 13 24.54 0.1 . . . . . A 122 PRO CG . 30035 1 460 . 1 1 122 122 PRO CD C 13 50.28 0.1 . . . . . A 122 PRO CD . 30035 1 461 . 1 1 122 122 PRO N N 15 138.48 0.3 . . . . . A 122 PRO N . 30035 1 462 . 1 1 123 123 PRO C C 13 177.45 0.1 . . . . . A 123 PRO C . 30035 1 463 . 1 1 123 123 PRO CA C 13 63.84 0.1 . . . . . A 123 PRO CA . 30035 1 464 . 1 1 123 123 PRO CB C 13 32.55 0.1 . . . . . A 123 PRO CB . 30035 1 465 . 1 1 123 123 PRO CG C 13 27.05 0.1 . . . . . A 123 PRO CG . 30035 1 466 . 1 1 123 123 PRO CD C 13 50.25 0.1 . . . . . A 123 PRO CD . 30035 1 467 . 1 1 123 123 PRO N N 15 134.18 0.3 . . . . . A 123 PRO N . 30035 1 468 . 1 1 124 124 ILE C C 13 176.05 0.1 . . . . . A 124 ILE C . 30035 1 469 . 1 1 124 124 ILE CA C 13 59.08 0.1 . . . . . A 124 ILE CA . 30035 1 470 . 1 1 124 124 ILE CB C 13 38.02 0.1 . . . . . A 124 ILE CB . 30035 1 471 . 1 1 124 124 ILE CG2 C 13 17.08 0.1 . . . . . A 124 ILE CG2 . 30035 1 472 . 1 1 124 124 ILE N N 15 122.68 0.3 . . . . . A 124 ILE N . 30035 1 473 . 1 1 125 125 PRO C C 13 176.65 0.1 . . . . . A 125 PRO C . 30035 1 474 . 1 1 125 125 PRO CA C 13 62.46 0.1 . . . . . A 125 PRO CA . 30035 1 475 . 1 1 125 125 PRO CB C 13 28.55 0.1 . . . . . A 125 PRO CB . 30035 1 476 . 1 1 125 125 PRO CG C 13 26.96 0.1 . . . . . A 125 PRO CG . 30035 1 477 . 1 1 125 125 PRO CD C 13 50.94 0.1 . . . . . A 125 PRO CD . 30035 1 478 . 1 1 125 125 PRO N N 15 136.48 0.3 . . . . . A 125 PRO N . 30035 1 479 . 1 1 126 126 VAL C C 13 176.45 0.1 . . . . . A 126 VAL C . 30035 1 480 . 1 1 126 126 VAL CA C 13 65.5 0.1 . . . . . A 126 VAL CA . 30035 1 481 . 1 1 126 126 VAL CB C 13 30.67 0.1 . . . . . A 126 VAL CB . 30035 1 482 . 1 1 126 126 VAL CG1 C 13 23.42 0.1 . . . . . A 126 VAL CG1 . 30035 1 483 . 1 1 126 126 VAL CG2 C 13 19.19 0.1 . . . . . A 126 VAL CG2 . 30035 1 484 . 1 1 126 126 VAL N N 15 115.28 0.3 . . . . . A 126 VAL N . 30035 1 485 . 1 1 127 127 GLY C C 13 174.65 0.1 . . . . . A 127 GLY C . 30035 1 486 . 1 1 127 127 GLY CA C 13 47.04 0.1 . . . . . A 127 GLY CA . 30035 1 487 . 1 1 127 127 GLY N N 15 106.48 0.3 . . . . . A 127 GLY N . 30035 1 488 . 1 1 128 128 GLU C C 13 179.25 0.1 . . . . . A 128 GLU C . 30035 1 489 . 1 1 128 128 GLU CA C 13 58.13 0.1 . . . . . A 128 GLU CA . 30035 1 490 . 1 1 128 128 GLU CB C 13 29.12 0.1 . . . . . A 128 GLU CB . 30035 1 491 . 1 1 128 128 GLU N N 15 121.48 0.3 . . . . . A 128 GLU N . 30035 1 492 . 1 1 129 129 ILE C C 13 175.85 0.1 . . . . . A 129 ILE C . 30035 1 493 . 1 1 129 129 ILE CA C 13 65 0.1 . . . . . A 129 ILE CA . 30035 1 494 . 1 1 129 129 ILE CB C 13 37.87 0.1 . . . . . A 129 ILE CB . 30035 1 495 . 1 1 129 129 ILE CG2 C 13 17.74 0.1 . . . . . A 129 ILE CG2 . 30035 1 496 . 1 1 129 129 ILE N N 15 120.58 0.3 . . . . . A 129 ILE N . 30035 1 497 . 1 1 130 130 TYR C C 13 178.15 0.1 . . . . . A 130 TYR C . 30035 1 498 . 1 1 130 130 TYR CA C 13 55.87 0.1 . . . . . A 130 TYR CA . 30035 1 499 . 1 1 130 130 TYR CB C 13 37.63 0.1 . . . . . A 130 TYR CB . 30035 1 500 . 1 1 130 130 TYR N N 15 116.58 0.3 . . . . . A 130 TYR N . 30035 1 501 . 1 1 131 131 LYS N N 15 121.48 0.3 . . . . . A 131 LYS N . 30035 1 502 . 1 1 133 133 TRP C C 13 178.05 0.1 . . . . . A 133 TRP C . 30035 1 503 . 1 1 133 133 TRP CA C 13 58.36 0.1 . . . . . A 133 TRP CA . 30035 1 504 . 1 1 133 133 TRP CB C 13 29.84 0.1 . . . . . A 133 TRP CB . 30035 1 505 . 1 1 133 133 TRP CG C 13 112.15 0.1 . . . . . A 133 TRP CG . 30035 1 506 . 1 1 133 133 TRP N N 15 120.58 0.3 . . . . . A 133 TRP N . 30035 1 507 . 1 1 134 134 ILE C C 13 177.95 0.1 . . . . . A 134 ILE C . 30035 1 508 . 1 1 134 134 ILE CA C 13 65.05 0.1 . . . . . A 134 ILE CA . 30035 1 509 . 1 1 134 134 ILE CB C 13 38.13 0.1 . . . . . A 134 ILE CB . 30035 1 510 . 1 1 134 134 ILE CG1 C 13 29.44 0.1 . . . . . A 134 ILE CG1 . 30035 1 511 . 1 1 134 134 ILE CG2 C 13 17.81 0.1 . . . . . A 134 ILE CG2 . 30035 1 512 . 1 1 134 134 ILE N N 15 118.58 0.3 . . . . . A 134 ILE N . 30035 1 513 . 1 1 135 135 ILE C C 13 177.55 0.1 . . . . . A 135 ILE C . 30035 1 514 . 1 1 135 135 ILE CA C 13 66.16 0.1 . . . . . A 135 ILE CA . 30035 1 515 . 1 1 135 135 ILE CB C 13 37.46 0.1 . . . . . A 135 ILE CB . 30035 1 516 . 1 1 135 135 ILE CG1 C 13 30.94 0.1 . . . . . A 135 ILE CG1 . 30035 1 517 . 1 1 135 135 ILE CG2 C 13 17.3 0.1 . . . . . A 135 ILE CG2 . 30035 1 518 . 1 1 135 135 ILE N N 15 121.08 0.3 . . . . . A 135 ILE N . 30035 1 519 . 1 1 136 136 LEU C C 13 180.85 0.1 . . . . . A 136 LEU C . 30035 1 520 . 1 1 136 136 LEU CA C 13 58.54 0.1 . . . . . A 136 LEU CA . 30035 1 521 . 1 1 136 136 LEU CB C 13 41.31 0.1 . . . . . A 136 LEU CB . 30035 1 522 . 1 1 136 136 LEU CG C 13 26.82 0.1 . . . . . A 136 LEU CG . 30035 1 523 . 1 1 136 136 LEU N N 15 121.48 0.3 . . . . . A 136 LEU N . 30035 1 524 . 1 1 137 137 GLY C C 13 175.65 0.1 . . . . . A 137 GLY C . 30035 1 525 . 1 1 137 137 GLY CA C 13 47.44 0.1 . . . . . A 137 GLY CA . 30035 1 526 . 1 1 137 137 GLY N N 15 106.68 0.3 . . . . . A 137 GLY N . 30035 1 527 . 1 1 138 138 LEU C C 13 178.35 0.1 . . . . . A 138 LEU C . 30035 1 528 . 1 1 138 138 LEU CA C 13 57.82 0.1 . . . . . A 138 LEU CA . 30035 1 529 . 1 1 138 138 LEU CB C 13 41.93 0.1 . . . . . A 138 LEU CB . 30035 1 530 . 1 1 138 138 LEU CG C 13 26 0.1 . . . . . A 138 LEU CG . 30035 1 531 . 1 1 138 138 LEU N N 15 123.08 0.3 . . . . . A 138 LEU N . 30035 1 532 . 1 1 139 139 ASN C C 13 178.05 0.1 . . . . . A 139 ASN C . 30035 1 533 . 1 1 139 139 ASN CA C 13 56.45 0.1 . . . . . A 139 ASN CA . 30035 1 534 . 1 1 139 139 ASN CB C 13 38.4 0.1 . . . . . A 139 ASN CB . 30035 1 535 . 1 1 139 139 ASN N N 15 118.28 0.3 . . . . . A 139 ASN N . 30035 1 536 . 1 1 140 140 LYS N N 15 118.28 0.3 . . . . . A 140 LYS N . 30035 1 537 . 1 1 146 146 SER C C 13 174.55 0.1 . . . . . A 146 SER C . 30035 1 538 . 1 1 147 147 PRO C C 13 177.15 0.1 . . . . . A 147 PRO C . 30035 1 539 . 1 1 147 147 PRO CA C 13 62.43 0.1 . . . . . A 147 PRO CA . 30035 1 540 . 1 1 147 147 PRO N N 15 133.78 0.3 . . . . . A 147 PRO N . 30035 1 541 . 1 1 148 148 THR C C 13 176.05 0.1 . . . . . A 148 THR C . 30035 1 542 . 1 1 148 148 THR CA C 13 59.61 0.1 . . . . . A 148 THR CA . 30035 1 543 . 1 1 148 148 THR CB C 13 70.43 0.1 . . . . . A 148 THR CB . 30035 1 544 . 1 1 148 148 THR N N 15 112.88 0.3 . . . . . A 148 THR N . 30035 1 545 . 1 1 149 149 SER C C 13 174.55 0.1 . . . . . A 149 SER C . 30035 1 546 . 1 1 149 149 SER CA C 13 57.18 0.1 . . . . . A 149 SER CA . 30035 1 547 . 1 1 149 149 SER CB C 13 64.75 0.1 . . . . . A 149 SER CB . 30035 1 548 . 1 1 149 149 SER N N 15 116.88 0.3 . . . . . A 149 SER N . 30035 1 549 . 1 1 150 150 ILE C C 13 178.35 0.1 . . . . . A 150 ILE C . 30035 1 550 . 1 1 150 150 ILE CA C 13 59.86 0.1 . . . . . A 150 ILE CA . 30035 1 551 . 1 1 150 150 ILE CB C 13 37.35 0.1 . . . . . A 150 ILE CB . 30035 1 552 . 1 1 150 150 ILE N N 15 121.18 0.3 . . . . . A 150 ILE N . 30035 1 553 . 1 1 151 151 LEU C C 13 179.35 0.1 . . . . . A 151 LEU C . 30035 1 554 . 1 1 151 151 LEU CA C 13 57.9 0.1 . . . . . A 151 LEU CA . 30035 1 555 . 1 1 151 151 LEU CB C 13 41.05 0.1 . . . . . A 151 LEU CB . 30035 1 556 . 1 1 151 151 LEU CG C 13 26.51 0.1 . . . . . A 151 LEU CG . 30035 1 557 . 1 1 151 151 LEU N N 15 117.48 0.3 . . . . . A 151 LEU N . 30035 1 558 . 1 1 152 152 ASP C C 13 175.75 0.1 . . . . . A 152 ASP C . 30035 1 559 . 1 1 152 152 ASP CA C 13 53.91 0.1 . . . . . A 152 ASP CA . 30035 1 560 . 1 1 152 152 ASP CB C 13 41.92 0.1 . . . . . A 152 ASP CB . 30035 1 561 . 1 1 152 152 ASP N N 15 115.48 0.3 . . . . . A 152 ASP N . 30035 1 562 . 1 1 153 153 ILE C C 13 173.55 0.1 . . . . . A 153 ILE C . 30035 1 563 . 1 1 153 153 ILE CA C 13 58.9 0.1 . . . . . A 153 ILE CA . 30035 1 564 . 1 1 153 153 ILE CB C 13 35.45 0.1 . . . . . A 153 ILE CB . 30035 1 565 . 1 1 153 153 ILE N N 15 122.08 0.3 . . . . . A 153 ILE N . 30035 1 566 . 1 1 154 154 ARG C C 13 175.05 0.1 . . . . . A 154 ARG C . 30035 1 567 . 1 1 154 154 ARG CA C 13 53.88 0.1 . . . . . A 154 ARG CA . 30035 1 568 . 1 1 154 154 ARG CB C 13 32.94 0.1 . . . . . A 154 ARG CB . 30035 1 569 . 1 1 154 154 ARG N N 15 125.28 0.3 . . . . . A 154 ARG N . 30035 1 570 . 1 1 155 155 GLN C C 13 176.85 0.1 . . . . . A 155 GLN C . 30035 1 571 . 1 1 155 155 GLN CA C 13 55.49 0.1 . . . . . A 155 GLN CA . 30035 1 572 . 1 1 155 155 GLN CB C 13 27.06 0.1 . . . . . A 155 GLN CB . 30035 1 573 . 1 1 155 155 GLN CG C 13 32.34 0.1 . . . . . A 155 GLN CG . 30035 1 574 . 1 1 155 155 GLN N N 15 127.48 0.3 . . . . . A 155 GLN N . 30035 1 575 . 1 1 156 156 GLY C C 13 173.15 0.1 . . . . . A 156 GLY C . 30035 1 576 . 1 1 156 156 GLY CA C 13 44.9 0.1 . . . . . A 156 GLY CA . 30035 1 577 . 1 1 156 156 GLY N N 15 116.98 0.3 . . . . . A 156 GLY N . 30035 1 578 . 1 1 157 157 PRO C C 13 176.75 0.1 . . . . . A 157 PRO C . 30035 1 579 . 1 1 157 157 PRO CA C 13 65.23 0.1 . . . . . A 157 PRO CA . 30035 1 580 . 1 1 157 157 PRO CB C 13 31.85 0.1 . . . . . A 157 PRO CB . 30035 1 581 . 1 1 157 157 PRO CG C 13 27.44 0.1 . . . . . A 157 PRO CG . 30035 1 582 . 1 1 157 157 PRO CD C 13 49.89 0.1 . . . . . A 157 PRO CD . 30035 1 583 . 1 1 157 157 PRO N N 15 136.88 0.3 . . . . . A 157 PRO N . 30035 1 584 . 1 1 158 158 LYS C C 13 175.15 0.1 . . . . . A 158 LYS C . 30035 1 585 . 1 1 158 158 LYS CA C 13 53.92 0.1 . . . . . A 158 LYS CA . 30035 1 586 . 1 1 158 158 LYS CB C 13 32.14 0.1 . . . . . A 158 LYS CB . 30035 1 587 . 1 1 158 158 LYS N N 15 114.98 0.3 . . . . . A 158 LYS N . 30035 1 588 . 1 1 159 159 GLU C C 13 174.35 0.1 . . . . . A 159 GLU C . 30035 1 589 . 1 1 159 159 GLU CA C 13 53.17 0.1 . . . . . A 159 GLU CA . 30035 1 590 . 1 1 159 159 GLU CB C 13 32.19 0.1 . . . . . A 159 GLU CB . 30035 1 591 . 1 1 159 159 GLU N N 15 125.18 0.3 . . . . . A 159 GLU N . 30035 1 592 . 1 1 160 160 PRO C C 13 177.35 0.1 . . . . . A 160 PRO C . 30035 1 593 . 1 1 160 160 PRO CA C 13 62.91 0.1 . . . . . A 160 PRO CA . 30035 1 594 . 1 1 160 160 PRO CB C 13 32.35 0.1 . . . . . A 160 PRO CB . 30035 1 595 . 1 1 160 160 PRO CG C 13 28.18 0.1 . . . . . A 160 PRO CG . 30035 1 596 . 1 1 160 160 PRO CD C 13 51.31 0.1 . . . . . A 160 PRO CD . 30035 1 597 . 1 1 160 160 PRO N N 15 143.58 0.3 . . . . . A 160 PRO N . 30035 1 598 . 1 1 161 161 PHE C C 13 176.95 0.1 . . . . . A 161 PHE C . 30035 1 599 . 1 1 161 161 PHE CA C 13 62.32 0.1 . . . . . A 161 PHE CA . 30035 1 600 . 1 1 161 161 PHE CB C 13 39.37 0.1 . . . . . A 161 PHE CB . 30035 1 601 . 1 1 161 161 PHE N N 15 127.58 0.3 . . . . . A 161 PHE N . 30035 1 602 . 1 1 162 162 ARG C C 13 176.25 0.1 . . . . . A 162 ARG C . 30035 1 603 . 1 1 162 162 ARG CA C 13 59.67 0.1 . . . . . A 162 ARG CA . 30035 1 604 . 1 1 162 162 ARG N N 15 115.88 0.3 . . . . . A 162 ARG N . 30035 1 605 . 1 1 163 163 ASP C C 13 178.25 0.1 . . . . . A 163 ASP C . 30035 1 606 . 1 1 163 163 ASP CA C 13 56.94 0.1 . . . . . A 163 ASP CA . 30035 1 607 . 1 1 163 163 ASP CB C 13 39.91 0.1 . . . . . A 163 ASP CB . 30035 1 608 . 1 1 163 163 ASP N N 15 116.68 0.3 . . . . . A 163 ASP N . 30035 1 609 . 1 1 164 164 TYR C C 13 175.95 0.1 . . . . . A 164 TYR C . 30035 1 610 . 1 1 164 164 TYR CA C 13 59.16 0.1 . . . . . A 164 TYR CA . 30035 1 611 . 1 1 164 164 TYR CG C 13 126.75 0.1 . . . . . A 164 TYR CG . 30035 1 612 . 1 1 164 164 TYR N N 15 123.28 0.3 . . . . . A 164 TYR N . 30035 1 613 . 1 1 165 165 VAL CA C 13 66.19 0.1 . . . . . A 165 VAL CA . 30035 1 614 . 1 1 167 167 ARG C C 13 179.05 0.1 . . . . . A 167 ARG C . 30035 1 615 . 1 1 168 168 PHE C C 13 176.85 0.1 . . . . . A 168 PHE C . 30035 1 616 . 1 1 168 168 PHE CA C 13 62.24 0.1 . . . . . A 168 PHE CA . 30035 1 617 . 1 1 168 168 PHE CB C 13 39.63 0.1 . . . . . A 168 PHE CB . 30035 1 618 . 1 1 168 168 PHE N N 15 123.88 0.3 . . . . . A 168 PHE N . 30035 1 619 . 1 1 169 169 TYR C C 13 179.15 0.1 . . . . . A 169 TYR C . 30035 1 620 . 1 1 169 169 TYR CA C 13 63.47 0.1 . . . . . A 169 TYR CA . 30035 1 621 . 1 1 169 169 TYR CB C 13 37.89 0.1 . . . . . A 169 TYR CB . 30035 1 622 . 1 1 169 169 TYR N N 15 114.88 0.3 . . . . . A 169 TYR N . 30035 1 623 . 1 1 170 170 LYS CA C 13 60.04 0.1 . . . . . A 170 LYS CA . 30035 1 624 . 1 1 170 170 LYS N N 15 123.58 0.3 . . . . . A 170 LYS N . 30035 1 625 . 1 1 171 171 THR CA C 13 64.6 0.1 . . . . . A 171 THR CA . 30035 1 626 . 1 1 171 171 THR CB C 13 68.94 0.1 . . . . . A 171 THR CB . 30035 1 627 . 1 1 171 171 THR N N 15 111.98 0.3 . . . . . A 171 THR N . 30035 1 628 . 1 1 176 176 GLN C C 13 176.75 0.1 . . . . . A 176 GLN C . 30035 1 629 . 1 1 176 176 GLN CA C 13 58.59 0.1 . . . . . A 176 GLN CA . 30035 1 630 . 1 1 177 177 ALA C C 13 177.35 0.1 . . . . . A 177 ALA C . 30035 1 631 . 1 1 177 177 ALA CA C 13 52.09 0.1 . . . . . A 177 ALA CA . 30035 1 632 . 1 1 177 177 ALA CB C 13 19.1 0.1 . . . . . A 177 ALA CB . 30035 1 633 . 1 1 177 177 ALA N N 15 118.48 0.3 . . . . . A 177 ALA N . 30035 1 634 . 1 1 178 178 SER C C 13 178.85 0.1 . . . . . A 178 SER C . 30035 1 635 . 1 1 178 178 SER CA C 13 58.6 0.1 . . . . . A 178 SER CA . 30035 1 636 . 1 1 178 178 SER N N 15 113.58 0.3 . . . . . A 178 SER N . 30035 1 637 . 1 1 183 183 ASN C C 13 177.35 0.1 . . . . . A 183 ASN C . 30035 1 638 . 1 1 183 183 ASN CA C 13 55.76 0.1 . . . . . A 183 ASN CA . 30035 1 639 . 1 1 183 183 ASN CB C 13 37.53 0.1 . . . . . A 183 ASN CB . 30035 1 640 . 1 1 183 183 ASN N N 15 116.98 0.3 . . . . . A 183 ASN N . 30035 1 641 . 1 1 184 184 TRP C C 13 179.25 0.1 . . . . . A 184 TRP C . 30035 1 642 . 1 1 184 184 TRP CA C 13 61.82 0.1 . . . . . A 184 TRP CA . 30035 1 643 . 1 1 184 184 TRP CB C 13 28.26 0.1 . . . . . A 184 TRP CB . 30035 1 644 . 1 1 184 184 TRP CG C 13 111.15 0.1 . . . . . A 184 TRP CG . 30035 1 645 . 1 1 184 184 TRP N N 15 122.38 0.3 . . . . . A 184 TRP N . 30035 1 646 . 1 1 185 185 MET C C 13 179.55 0.1 . . . . . A 185 MET C . 30035 1 647 . 1 1 185 185 MET CA C 13 59.52 0.1 . . . . . A 185 MET CA . 30035 1 648 . 1 1 185 185 MET CB C 13 31.79 0.1 . . . . . A 185 MET CB . 30035 1 649 . 1 1 185 185 MET N N 15 115.88 0.3 . . . . . A 185 MET N . 30035 1 650 . 1 1 186 186 THR C C 13 178.25 0.1 . . . . . A 186 THR C . 30035 1 651 . 1 1 186 186 THR CA C 13 64.94 0.1 . . . . . A 186 THR CA . 30035 1 652 . 1 1 186 186 THR CB C 13 68.84 0.1 . . . . . A 186 THR CB . 30035 1 653 . 1 1 186 186 THR N N 15 110.18 0.3 . . . . . A 186 THR N . 30035 1 654 . 1 1 187 187 GLU C C 13 178.35 0.1 . . . . . A 187 GLU C . 30035 1 655 . 1 1 187 187 GLU CA C 13 59.66 0.1 . . . . . A 187 GLU CA . 30035 1 656 . 1 1 187 187 GLU CB C 13 27.68 0.1 . . . . . A 187 GLU CB . 30035 1 657 . 1 1 187 187 GLU CG C 13 32.8 0.1 . . . . . A 187 GLU CG . 30035 1 658 . 1 1 187 187 GLU N N 15 116.18 0.3 . . . . . A 187 GLU N . 30035 1 659 . 1 1 188 188 THR C C 13 174.05 0.1 . . . . . A 188 THR C . 30035 1 660 . 1 1 188 188 THR CA C 13 63.39 0.1 . . . . . A 188 THR CA . 30035 1 661 . 1 1 188 188 THR CB C 13 69.24 0.1 . . . . . A 188 THR CB . 30035 1 662 . 1 1 188 188 THR CG2 C 13 23.32 0.1 . . . . . A 188 THR CG2 . 30035 1 663 . 1 1 188 188 THR N N 15 108.08 0.3 . . . . . A 188 THR N . 30035 1 664 . 1 1 189 189 LEU C C 13 178.05 0.1 . . . . . A 189 LEU C . 30035 1 665 . 1 1 189 189 LEU CA C 13 58.56 0.1 . . . . . A 189 LEU CA . 30035 1 666 . 1 1 189 189 LEU CB C 13 40.02 0.1 . . . . . A 189 LEU CB . 30035 1 667 . 1 1 189 189 LEU N N 15 120.58 0.3 . . . . . A 189 LEU N . 30035 1 668 . 1 1 190 190 LEU C C 13 179.35 0.1 . . . . . A 190 LEU C . 30035 1 669 . 1 1 190 190 LEU CA C 13 57.75 0.1 . . . . . A 190 LEU CA . 30035 1 670 . 1 1 190 190 LEU CB C 13 41.69 0.1 . . . . . A 190 LEU CB . 30035 1 671 . 1 1 190 190 LEU N N 15 120.68 0.3 . . . . . A 190 LEU N . 30035 1 672 . 1 1 191 191 VAL C C 13 176.75 0.1 . . . . . A 191 VAL C . 30035 1 673 . 1 1 191 191 VAL CA C 13 65.2 0.1 . . . . . A 191 VAL CA . 30035 1 674 . 1 1 191 191 VAL CB C 13 31.99 0.1 . . . . . A 191 VAL CB . 30035 1 675 . 1 1 191 191 VAL CG1 C 13 22.56 0.1 . . . . . A 191 VAL CG1 . 30035 1 676 . 1 1 191 191 VAL N N 15 115.08 0.3 . . . . . A 191 VAL N . 30035 1 677 . 1 1 192 192 GLN C C 13 177.05 0.1 . . . . . A 192 GLN C . 30035 1 678 . 1 1 192 192 GLN CA C 13 58.25 0.1 . . . . . A 192 GLN CA . 30035 1 679 . 1 1 192 192 GLN CB C 13 28.21 0.1 . . . . . A 192 GLN CB . 30035 1 680 . 1 1 192 192 GLN N N 15 115.08 0.3 . . . . . A 192 GLN N . 30035 1 681 . 1 1 193 193 ASN C C 13 175.15 0.1 . . . . . A 193 ASN C . 30035 1 682 . 1 1 193 193 ASN CA C 13 52.33 0.1 . . . . . A 193 ASN CA . 30035 1 683 . 1 1 193 193 ASN CB C 13 38.15 0.1 . . . . . A 193 ASN CB . 30035 1 684 . 1 1 193 193 ASN N N 15 114.38 0.3 . . . . . A 193 ASN N . 30035 1 685 . 1 1 194 194 ALA C C 13 175.25 0.1 . . . . . A 194 ALA C . 30035 1 686 . 1 1 194 194 ALA CA C 13 51.68 0.1 . . . . . A 194 ALA CA . 30035 1 687 . 1 1 194 194 ALA CB C 13 18.58 0.1 . . . . . A 194 ALA CB . 30035 1 688 . 1 1 194 194 ALA N N 15 124.58 0.3 . . . . . A 194 ALA N . 30035 1 689 . 1 1 195 195 ASN C C 13 173.25 0.1 . . . . . A 195 ASN C . 30035 1 690 . 1 1 195 195 ASN CA C 13 51.39 0.1 . . . . . A 195 ASN CA . 30035 1 691 . 1 1 195 195 ASN CB C 13 35.97 0.1 . . . . . A 195 ASN CB . 30035 1 692 . 1 1 195 195 ASN N N 15 119.28 0.3 . . . . . A 195 ASN N . 30035 1 693 . 1 1 196 196 PRO C C 13 178.25 0.1 . . . . . A 196 PRO C . 30035 1 694 . 1 1 196 196 PRO CA C 13 66.43 0.1 . . . . . A 196 PRO CA . 30035 1 695 . 1 1 196 196 PRO CB C 13 32.02 0.1 . . . . . A 196 PRO CB . 30035 1 696 . 1 1 196 196 PRO CG C 13 27.06 0.1 . . . . . A 196 PRO CG . 30035 1 697 . 1 1 196 196 PRO CD C 13 49.62 0.1 . . . . . A 196 PRO CD . 30035 1 698 . 1 1 196 196 PRO N N 15 132.38 0.3 . . . . . A 196 PRO N . 30035 1 699 . 1 1 197 197 ASP C C 13 178.85 0.1 . . . . . A 197 ASP C . 30035 1 700 . 1 1 197 197 ASP CA C 13 56.78 0.1 . . . . . A 197 ASP CA . 30035 1 701 . 1 1 197 197 ASP CB C 13 40.28 0.1 . . . . . A 197 ASP CB . 30035 1 702 . 1 1 197 197 ASP N N 15 115.68 0.3 . . . . . A 197 ASP N . 30035 1 703 . 1 1 198 198 CYS C C 13 178.65 0.1 . . . . . A 198 CYS C . 30035 1 704 . 1 1 198 198 CYS CA C 13 59.65 0.1 . . . . . A 198 CYS CA . 30035 1 705 . 1 1 198 198 CYS CB C 13 35.14 0.1 . . . . . A 198 CYS CB . 30035 1 706 . 1 1 198 198 CYS N N 15 115.98 0.3 . . . . . A 198 CYS N . 30035 1 707 . 1 1 199 199 LYS C C 13 177.55 0.1 . . . . . A 199 LYS C . 30035 1 708 . 1 1 199 199 LYS CA C 13 60.8 0.1 . . . . . A 199 LYS CA . 30035 1 709 . 1 1 199 199 LYS CB C 13 32.22 0.1 . . . . . A 199 LYS CB . 30035 1 710 . 1 1 199 199 LYS N N 15 121.68 0.3 . . . . . A 199 LYS N . 30035 1 711 . 1 1 200 200 THR C C 13 176.05 0.1 . . . . . A 200 THR C . 30035 1 712 . 1 1 200 200 THR CA C 13 66.51 0.1 . . . . . A 200 THR CA . 30035 1 713 . 1 1 200 200 THR CB C 13 68.83 0.1 . . . . . A 200 THR CB . 30035 1 714 . 1 1 200 200 THR CG2 C 13 21.5 0.1 . . . . . A 200 THR CG2 . 30035 1 715 . 1 1 200 200 THR N N 15 112.08 0.3 . . . . . A 200 THR N . 30035 1 716 . 1 1 201 201 ILE C C 13 178.25 0.1 . . . . . A 201 ILE C . 30035 1 717 . 1 1 201 201 ILE CA C 13 64.31 0.1 . . . . . A 201 ILE CA . 30035 1 718 . 1 1 201 201 ILE CB C 13 37.95 0.1 . . . . . A 201 ILE CB . 30035 1 719 . 1 1 201 201 ILE CG1 C 13 29.1 0.1 . . . . . A 201 ILE CG1 . 30035 1 720 . 1 1 201 201 ILE CG2 C 13 18.25 0.1 . . . . . A 201 ILE CG2 . 30035 1 721 . 1 1 201 201 ILE N N 15 122.98 0.3 . . . . . A 201 ILE N . 30035 1 722 . 1 1 202 202 LEU C C 13 178.05 0.1 . . . . . A 202 LEU C . 30035 1 723 . 1 1 202 202 LEU CA C 13 57.3 0.1 . . . . . A 202 LEU CA . 30035 1 724 . 1 1 202 202 LEU CB C 13 41.29 0.1 . . . . . A 202 LEU CB . 30035 1 725 . 1 1 202 202 LEU N N 15 118.18 0.3 . . . . . A 202 LEU N . 30035 1 726 . 1 1 203 203 LYS C C 13 178.35 0.1 . . . . . A 203 LYS C . 30035 1 727 . 1 1 203 203 LYS CA C 13 59.81 0.1 . . . . . A 203 LYS CA . 30035 1 728 . 1 1 203 203 LYS CB C 13 31.68 0.1 . . . . . A 203 LYS CB . 30035 1 729 . 1 1 203 203 LYS N N 15 119.68 0.3 . . . . . A 203 LYS N . 30035 1 730 . 1 1 204 204 ALA C C 13 178.15 0.1 . . . . . A 204 ALA C . 30035 1 731 . 1 1 204 204 ALA CA C 13 53.29 0.1 . . . . . A 204 ALA CA . 30035 1 732 . 1 1 204 204 ALA CB C 13 18.11 0.1 . . . . . A 204 ALA CB . 30035 1 733 . 1 1 204 204 ALA N N 15 120.08 0.3 . . . . . A 204 ALA N . 30035 1 734 . 1 1 205 205 LEU C C 13 178.75 0.1 . . . . . A 205 LEU C . 30035 1 735 . 1 1 205 205 LEU CA C 13 56.32 0.1 . . . . . A 205 LEU CA . 30035 1 736 . 1 1 205 205 LEU CB C 13 42.38 0.1 . . . . . A 205 LEU CB . 30035 1 737 . 1 1 205 205 LEU N N 15 116.98 0.3 . . . . . A 205 LEU N . 30035 1 738 . 1 1 206 206 GLY C C 13 171.55 0.1 . . . . . A 206 GLY C . 30035 1 739 . 1 1 206 206 GLY CA C 13 44.2 0.1 . . . . . A 206 GLY CA . 30035 1 740 . 1 1 206 206 GLY N N 15 104.08 0.3 . . . . . A 206 GLY N . 30035 1 741 . 1 1 207 207 PRO C C 13 178.25 0.1 . . . . . A 207 PRO C . 30035 1 742 . 1 1 207 207 PRO CA C 13 62.98 0.1 . . . . . A 207 PRO CA . 30035 1 743 . 1 1 207 207 PRO CB C 13 31.71 0.1 . . . . . A 207 PRO CB . 30035 1 744 . 1 1 207 207 PRO CG C 13 26.97 0.1 . . . . . A 207 PRO CG . 30035 1 745 . 1 1 207 207 PRO CD C 13 49.51 0.1 . . . . . A 207 PRO CD . 30035 1 746 . 1 1 207 207 PRO N N 15 132.48 0.3 . . . . . A 207 PRO N . 30035 1 747 . 1 1 208 208 GLY C C 13 174.55 0.1 . . . . . A 208 GLY C . 30035 1 748 . 1 1 208 208 GLY CA C 13 45.29 0.1 . . . . . A 208 GLY CA . 30035 1 749 . 1 1 208 208 GLY N N 15 109.98 0.3 . . . . . A 208 GLY N . 30035 1 750 . 1 1 209 209 ALA C C 13 177.55 0.1 . . . . . A 209 ALA C . 30035 1 751 . 1 1 209 209 ALA CA C 13 52.14 0.1 . . . . . A 209 ALA CA . 30035 1 752 . 1 1 209 209 ALA CB C 13 19.53 0.1 . . . . . A 209 ALA CB . 30035 1 753 . 1 1 209 209 ALA N N 15 123.48 0.3 . . . . . A 209 ALA N . 30035 1 754 . 1 1 210 210 THR C C 13 175.15 0.1 . . . . . A 210 THR C . 30035 1 755 . 1 1 210 210 THR CA C 13 59.98 0.1 . . . . . A 210 THR CA . 30035 1 756 . 1 1 210 210 THR CB C 13 70.26 0.1 . . . . . A 210 THR CB . 30035 1 757 . 1 1 210 210 THR CG2 C 13 21.9 0.1 . . . . . A 210 THR CG2 . 30035 1 758 . 1 1 210 210 THR N N 15 113.68 0.3 . . . . . A 210 THR N . 30035 1 759 . 1 1 211 211 LEU C C 13 179.35 0.1 . . . . . A 211 LEU C . 30035 1 760 . 1 1 211 211 LEU CA C 13 58.18 0.1 . . . . . A 211 LEU CA . 30035 1 761 . 1 1 211 211 LEU CB C 13 40.36 0.1 . . . . . A 211 LEU CB . 30035 1 762 . 1 1 211 211 LEU CG C 13 26.94 0.1 . . . . . A 211 LEU CG . 30035 1 763 . 1 1 211 211 LEU N N 15 125.18 0.3 . . . . . A 211 LEU N . 30035 1 764 . 1 1 212 212 GLU C C 13 179.35 0.1 . . . . . A 212 GLU C . 30035 1 765 . 1 1 212 212 GLU CA C 13 59.82 0.1 . . . . . A 212 GLU CA . 30035 1 766 . 1 1 212 212 GLU CB C 13 28.99 0.1 . . . . . A 212 GLU CB . 30035 1 767 . 1 1 212 212 GLU N N 15 119.28 0.3 . . . . . A 212 GLU N . 30035 1 768 . 1 1 213 213 GLU C C 13 178.35 0.1 . . . . . A 213 GLU C . 30035 1 769 . 1 1 213 213 GLU CA C 13 58.66 0.1 . . . . . A 213 GLU CA . 30035 1 770 . 1 1 213 213 GLU N N 15 119.08 0.3 . . . . . A 213 GLU N . 30035 1 771 . 1 1 214 214 MET C C 13 179.05 0.1 . . . . . A 214 MET C . 30035 1 772 . 1 1 214 214 MET CA C 13 59.66 0.1 . . . . . A 214 MET CA . 30035 1 773 . 1 1 214 214 MET CB C 13 31.53 0.1 . . . . . A 214 MET CB . 30035 1 774 . 1 1 214 214 MET N N 15 119.28 0.3 . . . . . A 214 MET N . 30035 1 775 . 1 1 215 215 MET C C 13 179.15 0.1 . . . . . A 215 MET C . 30035 1 776 . 1 1 215 215 MET CA C 13 58.58 0.1 . . . . . A 215 MET CA . 30035 1 777 . 1 1 215 215 MET CB C 13 32.41 0.1 . . . . . A 215 MET CB . 30035 1 778 . 1 1 215 215 MET N N 15 117.58 0.3 . . . . . A 215 MET N . 30035 1 779 . 1 1 216 216 THR C C 13 175.95 0.1 . . . . . A 216 THR C . 30035 1 780 . 1 1 216 216 THR CA C 13 65.87 0.1 . . . . . A 216 THR CA . 30035 1 781 . 1 1 216 216 THR CB C 13 68.52 0.1 . . . . . A 216 THR CB . 30035 1 782 . 1 1 216 216 THR N N 15 114.58 0.3 . . . . . A 216 THR N . 30035 1 783 . 1 1 217 217 ALA C C 13 178.85 0.1 . . . . . A 217 ALA C . 30035 1 784 . 1 1 217 217 ALA CA C 13 54.76 0.1 . . . . . A 217 ALA CA . 30035 1 785 . 1 1 217 217 ALA CB C 13 18.6 0.1 . . . . . A 217 ALA CB . 30035 1 786 . 1 1 217 217 ALA N N 15 123.38 0.3 . . . . . A 217 ALA N . 30035 1 787 . 1 1 218 218 CYS C C 13 174.45 0.1 . . . . . A 218 CYS C . 30035 1 788 . 1 1 218 218 CYS CA C 13 56.57 0.1 . . . . . A 218 CYS CA . 30035 1 789 . 1 1 218 218 CYS CB C 13 40.36 0.1 . . . . . A 218 CYS CB . 30035 1 790 . 1 1 218 218 CYS N N 15 109.88 0.3 . . . . . A 218 CYS N . 30035 1 791 . 1 1 219 219 GLN N N 15 121.78 0.3 . . . . . A 219 GLN N . 30035 1 stop_ save_