data_25466 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25466 _Entry.Title ; BCL-XL ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-02-04 _Entry.Accession_date 2015-02-04 _Entry.Last_release_date 2015-02-05 _Entry.Original_release_date 2015-02-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Yong Yao . . . . 25466 2 Francesca Marassi . . . . 25466 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25466 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 295 25466 '15N chemical shifts' 150 25466 '1H chemical shifts' 150 25466 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2017-08-02 . original BMRB . 25466 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25466 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.jmb.2015.02.019 _Citation.PubMed_ID 25731750 _Citation.Full_citation . _Citation.Title ; Conformation of BCL-XL upon Membrane Integration. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 427 _Citation.Journal_issue 13 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1089-8638 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 2262 _Citation.Page_last 2270 _Citation.Year 2015 _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 Yong Yao Y. . . . 25466 1 2 Lynn Fujimoto L. M. . . 25466 1 3 Nathan Hirshman N. . . . 25466 1 4 Andrey Bobkov A. A. . . 25466 1 5 Antonella Antignani A. . . . 25466 1 6 Richard Youle R. J. . . 25466 1 7 Francesca Marassi F. M. . . 25466 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25466 _Assembly.ID 1 _Assembly.Name BCL-XL _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 BCL-XL 1 $BCL-XL A . yes native no no . . . 25466 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BCL-XL _Entity.Sf_category entity _Entity.Sf_framecode BCL-XL _Entity.Entry_ID 25466 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BCL-XL _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAHHHHHHGSPEFMSQSNRE LVVDFLSYKLSQKGYSWSQF SDVEENRTEAPEGTESAVKQ ALREAGDEFELRYRRAFSDL TSQLHITPGTAYQSFEQVVN ELFRDGVNWGRIVAFFSFGG ALCVESVDKEMQVLVSRIAA WMATYLNDHLEPWIQENGGW DTFVELYGNNAAAESRKGQE RFNRWFLTGMTVAGVVLLGS LFSRK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 205 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -12 MET . 25466 1 2 -11 ALA . 25466 1 3 -10 HIS . 25466 1 4 -9 HIS . 25466 1 5 -8 HIS . 25466 1 6 -7 HIS . 25466 1 7 -6 HIS . 25466 1 8 -5 HIS . 25466 1 9 -4 GLY . 25466 1 10 -3 SER . 25466 1 11 -2 PRO . 25466 1 12 -1 GLU . 25466 1 13 0 PHE . 25466 1 14 1 MET . 25466 1 15 2 SER . 25466 1 16 3 GLN . 25466 1 17 4 SER . 25466 1 18 5 ASN . 25466 1 19 6 ARG . 25466 1 20 7 GLU . 25466 1 21 8 LEU . 25466 1 22 9 VAL . 25466 1 23 10 VAL . 25466 1 24 11 ASP . 25466 1 25 12 PHE . 25466 1 26 13 LEU . 25466 1 27 14 SER . 25466 1 28 15 TYR . 25466 1 29 16 LYS . 25466 1 30 17 LEU . 25466 1 31 18 SER . 25466 1 32 19 GLN . 25466 1 33 20 LYS . 25466 1 34 21 GLY . 25466 1 35 22 TYR . 25466 1 36 23 SER . 25466 1 37 24 TRP . 25466 1 38 25 SER . 25466 1 39 26 GLN . 25466 1 40 27 PHE . 25466 1 41 28 SER . 25466 1 42 29 ASP . 25466 1 43 30 VAL . 25466 1 44 31 GLU . 25466 1 45 32 GLU . 25466 1 46 33 ASN . 25466 1 47 34 ARG . 25466 1 48 35 THR . 25466 1 49 36 GLU . 25466 1 50 37 ALA . 25466 1 51 38 PRO . 25466 1 52 39 GLU . 25466 1 53 40 GLY . 25466 1 54 41 THR . 25466 1 55 42 GLU . 25466 1 56 43 SER . 25466 1 57 44 ALA . 25466 1 58 45 VAL . 25466 1 59 46 LYS . 25466 1 60 47 GLN . 25466 1 61 48 ALA . 25466 1 62 49 LEU . 25466 1 63 50 ARG . 25466 1 64 51 GLU . 25466 1 65 52 ALA . 25466 1 66 53 GLY . 25466 1 67 54 ASP . 25466 1 68 55 GLU . 25466 1 69 56 PHE . 25466 1 70 57 GLU . 25466 1 71 58 LEU . 25466 1 72 59 ARG . 25466 1 73 60 TYR . 25466 1 74 61 ARG . 25466 1 75 62 ARG . 25466 1 76 63 ALA . 25466 1 77 64 PHE . 25466 1 78 65 SER . 25466 1 79 66 ASP . 25466 1 80 67 LEU . 25466 1 81 68 THR . 25466 1 82 69 SER . 25466 1 83 70 GLN . 25466 1 84 71 LEU . 25466 1 85 72 HIS . 25466 1 86 73 ILE . 25466 1 87 74 THR . 25466 1 88 75 PRO . 25466 1 89 76 GLY . 25466 1 90 77 THR . 25466 1 91 78 ALA . 25466 1 92 79 TYR . 25466 1 93 80 GLN . 25466 1 94 81 SER . 25466 1 95 82 PHE . 25466 1 96 83 GLU . 25466 1 97 84 GLN . 25466 1 98 85 VAL . 25466 1 99 86 VAL . 25466 1 100 87 ASN . 25466 1 101 88 GLU . 25466 1 102 89 LEU . 25466 1 103 90 PHE . 25466 1 104 91 ARG . 25466 1 105 92 ASP . 25466 1 106 93 GLY . 25466 1 107 94 VAL . 25466 1 108 95 ASN . 25466 1 109 96 TRP . 25466 1 110 97 GLY . 25466 1 111 98 ARG . 25466 1 112 99 ILE . 25466 1 113 100 VAL . 25466 1 114 101 ALA . 25466 1 115 102 PHE . 25466 1 116 103 PHE . 25466 1 117 104 SER . 25466 1 118 105 PHE . 25466 1 119 106 GLY . 25466 1 120 107 GLY . 25466 1 121 108 ALA . 25466 1 122 109 LEU . 25466 1 123 110 CYS . 25466 1 124 111 VAL . 25466 1 125 112 GLU . 25466 1 126 113 SER . 25466 1 127 114 VAL . 25466 1 128 115 ASP . 25466 1 129 116 LYS . 25466 1 130 117 GLU . 25466 1 131 118 MET . 25466 1 132 119 GLN . 25466 1 133 120 VAL . 25466 1 134 121 LEU . 25466 1 135 122 VAL . 25466 1 136 123 SER . 25466 1 137 124 ARG . 25466 1 138 125 ILE . 25466 1 139 126 ALA . 25466 1 140 127 ALA . 25466 1 141 128 TRP . 25466 1 142 129 MET . 25466 1 143 130 ALA . 25466 1 144 131 THR . 25466 1 145 132 TYR . 25466 1 146 133 LEU . 25466 1 147 134 ASN . 25466 1 148 135 ASP . 25466 1 149 136 HIS . 25466 1 150 137 LEU . 25466 1 151 138 GLU . 25466 1 152 139 PRO . 25466 1 153 140 TRP . 25466 1 154 141 ILE . 25466 1 155 142 GLN . 25466 1 156 143 GLU . 25466 1 157 144 ASN . 25466 1 158 145 GLY . 25466 1 159 146 GLY . 25466 1 160 147 TRP . 25466 1 161 148 ASP . 25466 1 162 149 THR . 25466 1 163 150 PHE . 25466 1 164 151 VAL . 25466 1 165 152 GLU . 25466 1 166 153 LEU . 25466 1 167 154 TYR . 25466 1 168 155 GLY . 25466 1 169 156 ASN . 25466 1 170 157 ASN . 25466 1 171 158 ALA . 25466 1 172 159 ALA . 25466 1 173 160 ALA . 25466 1 174 161 GLU . 25466 1 175 162 SER . 25466 1 176 163 ARG . 25466 1 177 164 LYS . 25466 1 178 165 GLY . 25466 1 179 166 GLN . 25466 1 180 167 GLU . 25466 1 181 168 ARG . 25466 1 182 169 PHE . 25466 1 183 170 ASN . 25466 1 184 171 ARG . 25466 1 185 172 TRP . 25466 1 186 173 PHE . 25466 1 187 174 LEU . 25466 1 188 175 THR . 25466 1 189 176 GLY . 25466 1 190 177 MET . 25466 1 191 178 THR . 25466 1 192 179 VAL . 25466 1 193 180 ALA . 25466 1 194 181 GLY . 25466 1 195 182 VAL . 25466 1 196 183 VAL . 25466 1 197 184 LEU . 25466 1 198 185 LEU . 25466 1 199 186 GLY . 25466 1 200 187 SER . 25466 1 201 188 LEU . 25466 1 202 189 PHE . 25466 1 203 190 SER . 25466 1 204 191 ARG . 25466 1 205 192 LYS . 25466 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 . MET 1 1 25466 1 . ALA 2 2 25466 1 . HIS 3 3 25466 1 . HIS 4 4 25466 1 . HIS 5 5 25466 1 . HIS 6 6 25466 1 . HIS 7 7 25466 1 . HIS 8 8 25466 1 . GLY 9 9 25466 1 . SER 10 10 25466 1 . PRO 11 11 25466 1 . GLU 12 12 25466 1 . PHE 13 13 25466 1 . MET 14 14 25466 1 . SER 15 15 25466 1 . GLN 16 16 25466 1 . SER 17 17 25466 1 . ASN 18 18 25466 1 . ARG 19 19 25466 1 . GLU 20 20 25466 1 . LEU 21 21 25466 1 . VAL 22 22 25466 1 . VAL 23 23 25466 1 . ASP 24 24 25466 1 . PHE 25 25 25466 1 . LEU 26 26 25466 1 . SER 27 27 25466 1 . TYR 28 28 25466 1 . LYS 29 29 25466 1 . LEU 30 30 25466 1 . SER 31 31 25466 1 . GLN 32 32 25466 1 . LYS 33 33 25466 1 . GLY 34 34 25466 1 . TYR 35 35 25466 1 . SER 36 36 25466 1 . TRP 37 37 25466 1 . SER 38 38 25466 1 . GLN 39 39 25466 1 . PHE 40 40 25466 1 . SER 41 41 25466 1 . ASP 42 42 25466 1 . VAL 43 43 25466 1 . GLU 44 44 25466 1 . GLU 45 45 25466 1 . ASN 46 46 25466 1 . ARG 47 47 25466 1 . THR 48 48 25466 1 . GLU 49 49 25466 1 . ALA 50 50 25466 1 . PRO 51 51 25466 1 . GLU 52 52 25466 1 . GLY 53 53 25466 1 . THR 54 54 25466 1 . GLU 55 55 25466 1 . SER 56 56 25466 1 . ALA 57 57 25466 1 . VAL 58 58 25466 1 . LYS 59 59 25466 1 . GLN 60 60 25466 1 . ALA 61 61 25466 1 . LEU 62 62 25466 1 . ARG 63 63 25466 1 . GLU 64 64 25466 1 . ALA 65 65 25466 1 . GLY 66 66 25466 1 . ASP 67 67 25466 1 . GLU 68 68 25466 1 . PHE 69 69 25466 1 . GLU 70 70 25466 1 . LEU 71 71 25466 1 . ARG 72 72 25466 1 . TYR 73 73 25466 1 . ARG 74 74 25466 1 . ARG 75 75 25466 1 . ALA 76 76 25466 1 . PHE 77 77 25466 1 . SER 78 78 25466 1 . ASP 79 79 25466 1 . LEU 80 80 25466 1 . THR 81 81 25466 1 . SER 82 82 25466 1 . GLN 83 83 25466 1 . LEU 84 84 25466 1 . HIS 85 85 25466 1 . ILE 86 86 25466 1 . THR 87 87 25466 1 . PRO 88 88 25466 1 . GLY 89 89 25466 1 . THR 90 90 25466 1 . ALA 91 91 25466 1 . TYR 92 92 25466 1 . GLN 93 93 25466 1 . SER 94 94 25466 1 . PHE 95 95 25466 1 . GLU 96 96 25466 1 . GLN 97 97 25466 1 . VAL 98 98 25466 1 . VAL 99 99 25466 1 . ASN 100 100 25466 1 . GLU 101 101 25466 1 . LEU 102 102 25466 1 . PHE 103 103 25466 1 . ARG 104 104 25466 1 . ASP 105 105 25466 1 . GLY 106 106 25466 1 . VAL 107 107 25466 1 . ASN 108 108 25466 1 . TRP 109 109 25466 1 . GLY 110 110 25466 1 . ARG 111 111 25466 1 . ILE 112 112 25466 1 . VAL 113 113 25466 1 . ALA 114 114 25466 1 . PHE 115 115 25466 1 . PHE 116 116 25466 1 . SER 117 117 25466 1 . PHE 118 118 25466 1 . GLY 119 119 25466 1 . GLY 120 120 25466 1 . ALA 121 121 25466 1 . LEU 122 122 25466 1 . CYS 123 123 25466 1 . VAL 124 124 25466 1 . GLU 125 125 25466 1 . SER 126 126 25466 1 . VAL 127 127 25466 1 . ASP 128 128 25466 1 . LYS 129 129 25466 1 . GLU 130 130 25466 1 . MET 131 131 25466 1 . GLN 132 132 25466 1 . VAL 133 133 25466 1 . LEU 134 134 25466 1 . VAL 135 135 25466 1 . SER 136 136 25466 1 . ARG 137 137 25466 1 . ILE 138 138 25466 1 . ALA 139 139 25466 1 . ALA 140 140 25466 1 . TRP 141 141 25466 1 . MET 142 142 25466 1 . ALA 143 143 25466 1 . THR 144 144 25466 1 . TYR 145 145 25466 1 . LEU 146 146 25466 1 . ASN 147 147 25466 1 . ASP 148 148 25466 1 . HIS 149 149 25466 1 . LEU 150 150 25466 1 . GLU 151 151 25466 1 . PRO 152 152 25466 1 . TRP 153 153 25466 1 . ILE 154 154 25466 1 . GLN 155 155 25466 1 . GLU 156 156 25466 1 . ASN 157 157 25466 1 . GLY 158 158 25466 1 . GLY 159 159 25466 1 . TRP 160 160 25466 1 . ASP 161 161 25466 1 . THR 162 162 25466 1 . PHE 163 163 25466 1 . VAL 164 164 25466 1 . GLU 165 165 25466 1 . LEU 166 166 25466 1 . TYR 167 167 25466 1 . GLY 168 168 25466 1 . ASN 169 169 25466 1 . ASN 170 170 25466 1 . ALA 171 171 25466 1 . ALA 172 172 25466 1 . ALA 173 173 25466 1 . GLU 174 174 25466 1 . SER 175 175 25466 1 . ARG 176 176 25466 1 . LYS 177 177 25466 1 . GLY 178 178 25466 1 . GLN 179 179 25466 1 . GLU 180 180 25466 1 . ARG 181 181 25466 1 . PHE 182 182 25466 1 . ASN 183 183 25466 1 . ARG 184 184 25466 1 . TRP 185 185 25466 1 . PHE 186 186 25466 1 . LEU 187 187 25466 1 . THR 188 188 25466 1 . GLY 189 189 25466 1 . MET 190 190 25466 1 . THR 191 191 25466 1 . VAL 192 192 25466 1 . ALA 193 193 25466 1 . GLY 194 194 25466 1 . VAL 195 195 25466 1 . VAL 196 196 25466 1 . LEU 197 197 25466 1 . LEU 198 198 25466 1 . GLY 199 199 25466 1 . SER 200 200 25466 1 . LEU 201 201 25466 1 . PHE 202 202 25466 1 . SER 203 203 25466 1 . ARG 204 204 25466 1 . LYS 205 205 25466 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 25466 _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 $BCL-XL . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25466 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 25466 _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 $BCL-XL . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pETshin . . . 25466 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25466 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BCL-XL '[U-99% 13C; U-99% 15N]' . . 1 $BCL-XL . . 0.1 . . mM . . . . 25466 1 2 H20 'natural abundance' . . . . . . 90 . . % . . . . 25466 1 3 D20 'natural abundance' . . . . . . 10 . . % . . . . 25466 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25466 _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' 0.025 . M 25466 1 pH 6.8 . pH 25466 1 pressure 1 . atm 25466 1 temperature 273 . K 25466 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25466 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25466 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25466 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25466 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25466 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 25466 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 25466 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25466 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25466 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25466 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25466 _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 0.25144952 . . . . . 25466 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 25466 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.10132905 . . . . . 25466 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25466 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25466 1 2 '3D HNCA' . . . 25466 1 3 '3D HNCACB' . . . 25466 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 14 14 MET H H 1 8.1400 . . 1 . . . . 1 MET H . 25466 1 2 . 1 1 14 14 MET CA C 13 56.6500 . . 1 . . . . 1 MET CA . 25466 1 3 . 1 1 14 14 MET CB C 13 32.8700 . . 1 . . . . 1 MET CB . 25466 1 4 . 1 1 14 14 MET N N 15 121.0890 . . 1 . . . . 1 MET N . 25466 1 5 . 1 1 15 15 SER H H 1 8.2200 . . 1 . . . . 2 SER H . 25466 1 6 . 1 1 15 15 SER CA C 13 59.6400 . . 1 . . . . 2 SER CA . 25466 1 7 . 1 1 15 15 SER CB C 13 63.4800 . . 1 . . . . 2 SER CB . 25466 1 8 . 1 1 15 15 SER N N 15 116.0950 . . 1 . . . . 2 SER N . 25466 1 9 . 1 1 17 17 SER H H 1 8.3370 . . 1 . . . . 4 SER H . 25466 1 10 . 1 1 17 17 SER CA C 13 60.3900 . . 1 . . . . 4 SER CA . 25466 1 11 . 1 1 17 17 SER CB C 13 63.3800 . . 1 . . . . 4 SER CB . 25466 1 12 . 1 1 17 17 SER N N 15 116.7840 . . 1 . . . . 4 SER N . 25466 1 13 . 1 1 18 18 ASN H H 1 8.5290 . . 1 . . . . 5 ASN H . 25466 1 14 . 1 1 18 18 ASN CA C 13 55.5900 . . 1 . . . . 5 ASN CA . 25466 1 15 . 1 1 18 18 ASN CB C 13 38.3100 . . 1 . . . . 5 ASN CB . 25466 1 16 . 1 1 18 18 ASN N N 15 120.6850 . . 1 . . . . 5 ASN N . 25466 1 17 . 1 1 19 19 ARG H H 1 8.0570 . . 1 . . . . 6 ARG H . 25466 1 18 . 1 1 19 19 ARG CA C 13 60.3900 . . 1 . . . . 6 ARG CA . 25466 1 19 . 1 1 19 19 ARG CB C 13 29.5600 . . 1 . . . . 6 ARG CB . 25466 1 20 . 1 1 19 19 ARG N N 15 119.9840 . . 1 . . . . 6 ARG N . 25466 1 21 . 1 1 20 20 GLU H H 1 7.9980 . . 1 . . . . 7 GLU H . 25466 1 22 . 1 1 20 20 GLU CA C 13 59.6400 . . 1 . . . . 7 GLU CA . 25466 1 23 . 1 1 20 20 GLU CB C 13 29.5600 . . 1 . . . . 7 GLU CB . 25466 1 24 . 1 1 20 20 GLU N N 15 117.7530 . . 1 . . . . 7 GLU N . 25466 1 25 . 1 1 21 21 LEU H H 1 7.7640 . . 1 . . . . 8 LEU H . 25466 1 26 . 1 1 21 21 LEU CA C 13 58.4700 . . 1 . . . . 8 LEU CA . 25466 1 27 . 1 1 21 21 LEU CB C 13 41.9300 . . 1 . . . . 8 LEU CB . 25466 1 28 . 1 1 21 21 LEU N N 15 120.0000 . . 1 . . . . 8 LEU N . 25466 1 29 . 1 1 22 22 VAL H H 1 7.6690 . . 1 . . . . 9 VAL H . 25466 1 30 . 1 1 22 22 VAL CA C 13 67.7500 . . 1 . . . . 9 VAL CA . 25466 1 31 . 1 1 22 22 VAL CB C 13 32.2300 . . 1 . . . . 9 VAL CB . 25466 1 32 . 1 1 22 22 VAL N N 15 117.5460 . . 1 . . . . 9 VAL N . 25466 1 33 . 1 1 23 23 VAL H H 1 8.3180 . . 1 . . . . 10 VAL H . 25466 1 34 . 1 1 23 23 VAL CA C 13 67.3200 . . 1 . . . . 10 VAL CA . 25466 1 35 . 1 1 23 23 VAL CB C 13 31.2700 . . 1 . . . . 10 VAL CB . 25466 1 36 . 1 1 23 23 VAL N N 15 117.2610 . . 1 . . . . 10 VAL N . 25466 1 37 . 1 1 24 24 ASP H H 1 8.1530 . . 1 . . . . 11 ASP H . 25466 1 38 . 1 1 24 24 ASP CA C 13 59.0000 . . 1 . . . . 11 ASP CA . 25466 1 39 . 1 1 24 24 ASP CB C 13 43.5300 . . 1 . . . . 11 ASP CB . 25466 1 40 . 1 1 24 24 ASP N N 15 120.8860 . . 1 . . . . 11 ASP N . 25466 1 41 . 1 1 25 25 PHE H H 1 8.2460 . . 1 . . . . 12 PHE H . 25466 1 42 . 1 1 25 25 PHE CA C 13 63.2700 . . 1 . . . . 12 PHE CA . 25466 1 43 . 1 1 25 25 PHE CB C 13 39.9100 . . 1 . . . . 12 PHE CB . 25466 1 44 . 1 1 25 25 PHE N N 15 120.0090 . . 1 . . . . 12 PHE N . 25466 1 45 . 1 1 26 26 LEU H H 1 8.8220 . . 1 . . . . 13 LEU H . 25466 1 46 . 1 1 26 26 LEU CA C 13 58.5800 . . 1 . . . . 13 LEU CA . 25466 1 47 . 1 1 26 26 LEU CB C 13 41.8300 . . 1 . . . . 13 LEU CB . 25466 1 48 . 1 1 26 26 LEU N N 15 116.9000 . . 1 . . . . 13 LEU N . 25466 1 49 . 1 1 27 27 SER H H 1 8.5540 . . 1 . . . . 14 SER H . 25466 1 50 . 1 1 27 27 SER CA C 13 62.7400 . . 1 . . . . 14 SER CA . 25466 1 51 . 1 1 27 27 SER N N 15 114.1660 . . 1 . . . . 14 SER N . 25466 1 52 . 1 1 28 28 TYR H H 1 8.2480 . . 1 . . . . 15 TYR H . 25466 1 53 . 1 1 28 28 TYR CA C 13 60.6000 . . 1 . . . . 15 TYR CA . 25466 1 54 . 1 1 28 28 TYR CB C 13 37.8800 . . 1 . . . . 15 TYR CB . 25466 1 55 . 1 1 28 28 TYR N N 15 124.9410 . . 1 . . . . 15 TYR N . 25466 1 56 . 1 1 29 29 LYS H H 1 8.2560 . . 1 . . . . 16 LYS H . 25466 1 57 . 1 1 29 29 LYS CA C 13 57.1900 . . 1 . . . . 16 LYS CA . 25466 1 58 . 1 1 29 29 LYS CB C 13 29.8800 . . 1 . . . . 16 LYS CB . 25466 1 59 . 1 1 29 29 LYS N N 15 119.9640 . . 1 . . . . 16 LYS N . 25466 1 60 . 1 1 30 30 LEU H H 1 8.6770 . . 1 . . . . 17 LEU H . 25466 1 61 . 1 1 30 30 LEU CA C 13 58.6800 . . 1 . . . . 17 LEU CA . 25466 1 62 . 1 1 30 30 LEU CB C 13 41.1900 . . 1 . . . . 17 LEU CB . 25466 1 63 . 1 1 30 30 LEU N N 15 118.5680 . . 1 . . . . 17 LEU N . 25466 1 64 . 1 1 31 31 SER H H 1 8.3860 . . 1 . . . . 18 SER H . 25466 1 65 . 1 1 31 31 SER CA C 13 61.6700 . . 1 . . . . 18 SER CA . 25466 1 66 . 1 1 31 31 SER CB C 13 62.8400 . . 1 . . . . 18 SER CB . 25466 1 67 . 1 1 31 31 SER N N 15 117.6250 . . 1 . . . . 18 SER N . 25466 1 68 . 1 1 32 32 GLN H H 1 7.6990 . . 1 . . . . 19 GLN H . 25466 1 69 . 1 1 32 32 GLN CA C 13 58.6800 . . 1 . . . . 19 GLN CA . 25466 1 70 . 1 1 32 32 GLN CB C 13 28.8100 . . 1 . . . . 19 GLN CB . 25466 1 71 . 1 1 32 32 GLN N N 15 122.7610 . . 1 . . . . 19 GLN N . 25466 1 72 . 1 1 33 33 LYS H H 1 7.2770 . . 1 . . . . 20 LYS H . 25466 1 73 . 1 1 33 33 LYS CA C 13 54.3100 . . 1 . . . . 20 LYS CA . 25466 1 74 . 1 1 33 33 LYS CB C 13 32.5500 . . 1 . . . . 20 LYS CB . 25466 1 75 . 1 1 33 33 LYS N N 15 116.4680 . . 1 . . . . 20 LYS N . 25466 1 76 . 1 1 34 34 GLY H H 1 7.6150 . . 1 . . . . 21 GLY H . 25466 1 77 . 1 1 34 34 GLY CA C 13 45.3500 . . 1 . . . . 21 GLY CA . 25466 1 78 . 1 1 34 34 GLY N N 15 105.5390 . . 1 . . . . 21 GLY N . 25466 1 79 . 1 1 35 35 TYR H H 1 7.8650 . . 1 . . . . 22 TYR H . 25466 1 80 . 1 1 35 35 TYR CA C 13 56.0100 . . 1 . . . . 22 TYR CA . 25466 1 81 . 1 1 35 35 TYR CB C 13 40.8700 . . 1 . . . . 22 TYR CB . 25466 1 82 . 1 1 35 35 TYR N N 15 119.7950 . . 1 . . . . 22 TYR N . 25466 1 83 . 1 1 36 36 SER H H 1 8.4780 . . 1 . . . . 23 SER H . 25466 1 84 . 1 1 36 36 SER CA C 13 56.9700 . . 1 . . . . 23 SER CA . 25466 1 85 . 1 1 36 36 SER CB C 13 64.7600 . . 1 . . . . 23 SER CB . 25466 1 86 . 1 1 36 36 SER N N 15 115.3000 . . 1 . . . . 23 SER N . 25466 1 87 . 1 1 37 37 TRP H H 1 8.9460 . . 1 . . . . 24 TRP H . 25466 1 88 . 1 1 37 37 TRP CA C 13 59.9600 . . 1 . . . . 24 TRP CA . 25466 1 89 . 1 1 37 37 TRP CB C 13 30.5200 . . 1 . . . . 24 TRP CB . 25466 1 90 . 1 1 37 37 TRP N N 15 127.3400 . . 1 . . . . 24 TRP N . 25466 1 91 . 1 1 38 38 SER H H 1 8.1370 . . 1 . . . . 25 SER H . 25466 1 92 . 1 1 38 38 SER CA C 13 60.1800 . . 1 . . . . 25 SER CA . 25466 1 93 . 1 1 38 38 SER CB C 13 63.0600 . . 1 . . . . 25 SER CB . 25466 1 94 . 1 1 38 38 SER N N 15 111.9940 . . 1 . . . . 25 SER N . 25466 1 95 . 1 1 39 39 GLN H H 1 7.4410 . . 1 . . . . 26 GLN H . 25466 1 96 . 1 1 39 39 GLN CA C 13 57.1900 . . 1 . . . . 26 GLN CA . 25466 1 97 . 1 1 39 39 GLN CB C 13 28.7100 . . 1 . . . . 26 GLN CB . 25466 1 98 . 1 1 39 39 GLN N N 15 119.3450 . . 1 . . . . 26 GLN N . 25466 1 99 . 1 1 40 40 PHE H H 1 7.3690 . . 1 . . . . 27 PHE H . 25466 1 100 . 1 1 40 40 PHE CA C 13 56.9700 . . 1 . . . . 27 PHE CA . 25466 1 101 . 1 1 40 40 PHE CB C 13 39.8000 . . 1 . . . . 27 PHE CB . 25466 1 102 . 1 1 40 40 PHE N N 15 116.5930 . . 1 . . . . 27 PHE N . 25466 1 103 . 1 1 41 41 SER H H 1 7.3480 . . 1 . . . . 28 SER H . 25466 1 104 . 1 1 41 41 SER CA C 13 57.7200 . . 1 . . . . 28 SER CA . 25466 1 105 . 1 1 41 41 SER CB C 13 64.1200 . . 1 . . . . 28 SER CB . 25466 1 106 . 1 1 41 41 SER N N 15 114.0070 . . 1 . . . . 28 SER N . 25466 1 107 . 1 1 42 42 ASP H H 1 8.3110 . . 1 . . . . 29 ASP H . 25466 1 108 . 1 1 42 42 ASP CA C 13 54.6300 . . 1 . . . . 29 ASP CA . 25466 1 109 . 1 1 42 42 ASP CB C 13 40.9700 . . 1 . . . . 29 ASP CB . 25466 1 110 . 1 1 42 42 ASP N N 15 122.4150 . . 1 . . . . 29 ASP N . 25466 1 111 . 1 1 43 43 VAL H H 1 7.8770 . . 1 . . . . 30 VAL H . 25466 1 112 . 1 1 43 43 VAL CA C 13 62.3100 . . 1 . . . . 30 VAL CA . 25466 1 113 . 1 1 43 43 VAL CB C 13 32.9700 . . 1 . . . . 30 VAL CB . 25466 1 114 . 1 1 43 43 VAL N N 15 118.5500 . . 1 . . . . 30 VAL N . 25466 1 115 . 1 1 44 44 GLU H H 1 8.4170 . . 1 . . . . 31 GLU H . 25466 1 116 . 1 1 44 44 GLU CA C 13 56.9700 . . 1 . . . . 31 GLU CA . 25466 1 117 . 1 1 44 44 GLU CB C 13 30.3100 . . 1 . . . . 31 GLU CB . 25466 1 118 . 1 1 44 44 GLU N N 15 124.2960 . . 1 . . . . 31 GLU N . 25466 1 119 . 1 1 45 45 GLU H H 1 8.3410 . . 1 . . . . 32 GLU H . 25466 1 120 . 1 1 45 45 GLU CA C 13 56.8700 . . 1 . . . . 32 GLU CA . 25466 1 121 . 1 1 45 45 GLU CB C 13 30.6300 . . 1 . . . . 32 GLU CB . 25466 1 122 . 1 1 45 45 GLU N N 15 121.9130 . . 1 . . . . 32 GLU N . 25466 1 123 . 1 1 46 46 ASN H H 1 8.4190 . . 1 . . . . 33 ASN H . 25466 1 124 . 1 1 46 46 ASN CA C 13 53.4500 . . 1 . . . . 33 ASN CA . 25466 1 125 . 1 1 46 46 ASN CB C 13 38.7300 . . 1 . . . . 33 ASN CB . 25466 1 126 . 1 1 46 46 ASN N N 15 119.6880 . . 1 . . . . 33 ASN N . 25466 1 127 . 1 1 47 47 ARG H H 1 8.2380 . . 1 . . . . 34 ARG H . 25466 1 128 . 1 1 47 47 ARG CA C 13 56.3300 . . 1 . . . . 34 ARG CA . 25466 1 129 . 1 1 47 47 ARG CB C 13 30.8400 . . 1 . . . . 34 ARG CB . 25466 1 130 . 1 1 47 47 ARG N N 15 121.8570 . . 1 . . . . 34 ARG N . 25466 1 131 . 1 1 48 48 THR H H 1 8.1880 . . 1 . . . . 35 THR H . 25466 1 132 . 1 1 48 48 THR CA C 13 62.2000 . . 1 . . . . 35 THR CA . 25466 1 133 . 1 1 48 48 THR CB C 13 69.8800 . . 1 . . . . 35 THR CB . 25466 1 134 . 1 1 48 48 THR N N 15 115.6740 . . 1 . . . . 35 THR N . 25466 1 135 . 1 1 49 49 GLU H H 1 8.3220 . . 1 . . . . 36 GLU H . 25466 1 136 . 1 1 49 49 GLU CA C 13 56.5500 . . 1 . . . . 36 GLU CA . 25466 1 137 . 1 1 49 49 GLU CB C 13 30.4100 . . 1 . . . . 36 GLU CB . 25466 1 138 . 1 1 49 49 GLU N N 15 123.0990 . . 1 . . . . 36 GLU N . 25466 1 139 . 1 1 50 50 ALA H H 1 8.2170 . . 1 . . . . 37 ALA H . 25466 1 140 . 1 1 50 50 ALA CA C 13 50.4700 . . 1 . . . . 37 ALA CA . 25466 1 141 . 1 1 50 50 ALA CB C 13 18.3600 . . 1 . . . . 37 ALA CB . 25466 1 142 . 1 1 50 50 ALA N N 15 125.9930 . . 1 . . . . 37 ALA N . 25466 1 143 . 1 1 51 51 PRO CA C 13 63.3800 . . 1 . . . . 38 PRO CA . 25466 1 144 . 1 1 51 51 PRO CB C 13 31.8000 . . 1 . . . . 38 PRO CB . 25466 1 145 . 1 1 52 52 GLU H H 1 8.5360 . . 1 . . . . 39 GLU H . 25466 1 146 . 1 1 52 52 GLU CA C 13 57.0800 . . 1 . . . . 39 GLU CA . 25466 1 147 . 1 1 52 52 GLU CB C 13 30.3100 . . 1 . . . . 39 GLU CB . 25466 1 148 . 1 1 52 52 GLU N N 15 120.5630 . . 1 . . . . 39 GLU N . 25466 1 149 . 1 1 53 53 GLY H H 1 8.4270 . . 1 . . . . 40 GLY H . 25466 1 150 . 1 1 53 53 GLY CA C 13 45.6700 . . 1 . . . . 40 GLY CA . 25466 1 151 . 1 1 53 53 GLY N N 15 109.9050 . . 1 . . . . 40 GLY N . 25466 1 152 . 1 1 54 54 THR H H 1 8.1230 . . 1 . . . . 41 THR H . 25466 1 153 . 1 1 54 54 THR CA C 13 62.6300 . . 1 . . . . 41 THR CA . 25466 1 154 . 1 1 54 54 THR CB C 13 69.7800 . . 1 . . . . 41 THR CB . 25466 1 155 . 1 1 54 54 THR N N 15 114.1880 . . 1 . . . . 41 THR N . 25466 1 156 . 1 1 55 55 GLU H H 1 8.6560 . . 1 . . . . 42 GLU H . 25466 1 157 . 1 1 55 55 GLU CA C 13 57.6100 . . 1 . . . . 42 GLU CA . 25466 1 158 . 1 1 55 55 GLU CB C 13 29.5600 . . 1 . . . . 42 GLU CB . 25466 1 159 . 1 1 55 55 GLU N N 15 123.0960 . . 1 . . . . 42 GLU N . 25466 1 160 . 1 1 56 56 SER H H 1 8.1320 . . 1 . . . . 43 SER H . 25466 1 161 . 1 1 56 56 SER CA C 13 59.3200 . . 1 . . . . 43 SER CA . 25466 1 162 . 1 1 56 56 SER CB C 13 64.1200 . . 1 . . . . 43 SER CB . 25466 1 163 . 1 1 56 56 SER N N 15 116.1430 . . 1 . . . . 43 SER N . 25466 1 164 . 1 1 57 57 ALA CA C 13 55.0500 . . 1 . . . . 44 ALA CA . 25466 1 165 . 1 1 57 57 ALA CB C 13 18.6800 . . 1 . . . . 44 ALA CB . 25466 1 166 . 1 1 58 58 VAL H H 1 7.7660 . . 1 . . . . 45 VAL H . 25466 1 167 . 1 1 58 58 VAL CA C 13 66.1500 . . 1 . . . . 45 VAL CA . 25466 1 168 . 1 1 58 58 VAL CB C 13 31.8000 . . 1 . . . . 45 VAL CB . 25466 1 169 . 1 1 58 58 VAL N N 15 118.1300 . . 1 . . . . 45 VAL N . 25466 1 170 . 1 1 59 59 LYS H H 1 7.2570 . . 1 . . . . 46 LYS H . 25466 1 171 . 1 1 59 59 LYS CA C 13 59.9600 . . 1 . . . . 46 LYS CA . 25466 1 172 . 1 1 59 59 LYS CB C 13 32.4400 . . 1 . . . . 46 LYS CB . 25466 1 173 . 1 1 59 59 LYS N N 15 117.9720 . . 1 . . . . 46 LYS N . 25466 1 174 . 1 1 60 60 GLN H H 1 7.7930 . . 1 . . . . 47 GLN H . 25466 1 175 . 1 1 60 60 GLN CA C 13 59.1100 . . 1 . . . . 47 GLN CA . 25466 1 176 . 1 1 60 60 GLN CB C 13 28.1700 . . 1 . . . . 47 GLN CB . 25466 1 177 . 1 1 60 60 GLN N N 15 116.2040 . . 1 . . . . 47 GLN N . 25466 1 178 . 1 1 61 61 ALA H H 1 7.8660 . . 1 . . . . 48 ALA H . 25466 1 179 . 1 1 61 61 ALA CA C 13 55.1600 . . 1 . . . . 48 ALA CA . 25466 1 180 . 1 1 61 61 ALA CB C 13 18.5700 . . 1 . . . . 48 ALA CB . 25466 1 181 . 1 1 61 61 ALA N N 15 120.2680 . . 1 . . . . 48 ALA N . 25466 1 182 . 1 1 62 62 LEU H H 1 8.4190 . . 1 . . . . 49 LEU H . 25466 1 183 . 1 1 62 62 LEU CA C 13 58.5800 . . 1 . . . . 49 LEU CA . 25466 1 184 . 1 1 62 62 LEU CB C 13 42.1500 . . 1 . . . . 49 LEU CB . 25466 1 185 . 1 1 62 62 LEU N N 15 119.6880 . . 1 . . . . 49 LEU N . 25466 1 186 . 1 1 63 63 ARG H H 1 8.0410 . . 1 . . . . 50 ARG H . 25466 1 187 . 1 1 63 63 ARG CA C 13 60.7100 . . 1 . . . . 50 ARG CA . 25466 1 188 . 1 1 63 63 ARG CB C 13 30.7300 . . 1 . . . . 50 ARG CB . 25466 1 189 . 1 1 63 63 ARG N N 15 118.2730 . . 1 . . . . 50 ARG N . 25466 1 190 . 1 1 64 64 GLU H H 1 7.8340 . . 1 . . . . 51 GLU H . 25466 1 191 . 1 1 64 64 GLU CA C 13 59.5400 . . 1 . . . . 51 GLU CA . 25466 1 192 . 1 1 64 64 GLU CB C 13 29.6700 . . 1 . . . . 51 GLU CB . 25466 1 193 . 1 1 64 64 GLU N N 15 116.5410 . . 1 . . . . 51 GLU N . 25466 1 194 . 1 1 65 65 ALA H H 1 8.9620 . . 1 . . . . 52 ALA H . 25466 1 195 . 1 1 65 65 ALA CA C 13 55.3700 . . 1 . . . . 52 ALA CA . 25466 1 196 . 1 1 65 65 ALA CB C 13 19.0000 . . 1 . . . . 52 ALA CB . 25466 1 197 . 1 1 65 65 ALA N N 15 123.3290 . . 1 . . . . 52 ALA N . 25466 1 198 . 1 1 66 66 GLY H H 1 9.0840 . . 1 . . . . 53 GLY H . 25466 1 199 . 1 1 66 66 GLY CA C 13 47.3700 . . 1 . . . . 53 GLY CA . 25466 1 200 . 1 1 66 66 GLY N N 15 107.1580 . . 1 . . . . 53 GLY N . 25466 1 201 . 1 1 67 67 ASP H H 1 8.2100 . . 1 . . . . 54 ASP H . 25466 1 202 . 1 1 67 67 ASP CA C 13 57.9400 . . 1 . . . . 54 ASP CA . 25466 1 203 . 1 1 67 67 ASP CB C 13 39.9100 . . 1 . . . . 54 ASP CB . 25466 1 204 . 1 1 67 67 ASP N N 15 122.7550 . . 1 . . . . 54 ASP N . 25466 1 205 . 1 1 68 68 GLU H H 1 8.2760 . . 1 . . . . 55 GLU H . 25466 1 206 . 1 1 68 68 GLU CA C 13 59.9600 . . 1 . . . . 55 GLU CA . 25466 1 207 . 1 1 68 68 GLU CB C 13 29.7700 . . 1 . . . . 55 GLU CB . 25466 1 208 . 1 1 68 68 GLU N N 15 121.2680 . . 1 . . . . 55 GLU N . 25466 1 209 . 1 1 69 69 PHE H H 1 8.9750 . . 1 . . . . 56 PHE H . 25466 1 210 . 1 1 69 69 PHE CA C 13 62.2000 . . 1 . . . . 56 PHE CA . 25466 1 211 . 1 1 69 69 PHE CB C 13 39.6900 . . 1 . . . . 56 PHE CB . 25466 1 212 . 1 1 69 69 PHE N N 15 121.2130 . . 1 . . . . 56 PHE N . 25466 1 213 . 1 1 70 70 GLU CA C 13 58.9000 . . 1 . . . . 57 GLU CA . 25466 1 214 . 1 1 70 70 GLU CB C 13 29.6700 . . 1 . . . . 57 GLU CB . 25466 1 215 . 1 1 71 71 LEU H H 1 7.5620 . . 1 . . . . 58 LEU H . 25466 1 216 . 1 1 71 71 LEU CA C 13 57.1900 . . 1 . . . . 58 LEU CA . 25466 1 217 . 1 1 71 71 LEU CB C 13 42.8900 . . 1 . . . . 58 LEU CB . 25466 1 218 . 1 1 71 71 LEU N N 15 117.2480 . . 1 . . . . 58 LEU N . 25466 1 219 . 1 1 72 72 ARG H H 1 7.9080 . . 1 . . . . 59 ARG H . 25466 1 220 . 1 1 72 72 ARG CA C 13 57.8300 . . 1 . . . . 59 ARG CA . 25466 1 221 . 1 1 72 72 ARG CB C 13 31.1600 . . 1 . . . . 59 ARG CB . 25466 1 222 . 1 1 72 72 ARG N N 15 116.8920 . . 1 . . . . 59 ARG N . 25466 1 223 . 1 1 73 73 TYR H H 1 8.0000 . . 1 . . . . 60 TYR H . 25466 1 224 . 1 1 73 73 TYR CA C 13 56.9700 . . 1 . . . . 60 TYR CA . 25466 1 225 . 1 1 73 73 TYR CB C 13 37.3500 . . 1 . . . . 60 TYR CB . 25466 1 226 . 1 1 73 73 TYR N N 15 118.3000 . . 1 . . . . 60 TYR N . 25466 1 227 . 1 1 74 74 ARG H H 1 7.2880 . . 1 . . . . 61 ARG H . 25466 1 228 . 1 1 74 74 ARG CA C 13 59.3200 . . 1 . . . . 61 ARG CA . 25466 1 229 . 1 1 74 74 ARG CB C 13 30.0900 . . 1 . . . . 61 ARG CB . 25466 1 230 . 1 1 74 74 ARG N N 15 119.9640 . . 1 . . . . 61 ARG N . 25466 1 231 . 1 1 75 75 ARG CA C 13 58.2600 . . 1 . . . . 62 ARG CA . 25466 1 232 . 1 1 75 75 ARG CB C 13 29.2400 . . 1 . . . . 62 ARG CB . 25466 1 233 . 1 1 76 76 ALA H H 1 7.8080 . . 1 . . . . 63 ALA H . 25466 1 234 . 1 1 76 76 ALA CA C 13 54.7300 . . 1 . . . . 63 ALA CA . 25466 1 235 . 1 1 76 76 ALA CB C 13 18.3600 . . 1 . . . . 63 ALA CB . 25466 1 236 . 1 1 76 76 ALA N N 15 121.9940 . . 1 . . . . 63 ALA N . 25466 1 237 . 1 1 77 77 PHE H H 1 8.3200 . . 1 . . . . 64 PHE H . 25466 1 238 . 1 1 77 77 PHE CA C 13 58.7900 . . 1 . . . . 64 PHE CA . 25466 1 239 . 1 1 77 77 PHE CB C 13 38.8400 . . 1 . . . . 64 PHE CB . 25466 1 240 . 1 1 77 77 PHE N N 15 115.4630 . . 1 . . . . 64 PHE N . 25466 1 241 . 1 1 78 78 SER H H 1 8.2010 . . 1 . . . . 65 SER H . 25466 1 242 . 1 1 78 78 SER CA C 13 61.6700 . . 1 . . . . 65 SER CA . 25466 1 243 . 1 1 78 78 SER CB C 13 62.9500 . . 1 . . . . 65 SER CB . 25466 1 244 . 1 1 78 78 SER N N 15 117.0100 . . 1 . . . . 65 SER N . 25466 1 245 . 1 1 79 79 ASP CA C 13 56.8700 . . 1 . . . . 66 ASP CA . 25466 1 246 . 1 1 79 79 ASP CB C 13 40.2300 . . 1 . . . . 66 ASP CB . 25466 1 247 . 1 1 80 80 LEU H H 1 7.9120 . . 1 . . . . 67 LEU H . 25466 1 248 . 1 1 80 80 LEU CA C 13 57.8300 . . 1 . . . . 67 LEU CA . 25466 1 249 . 1 1 80 80 LEU CB C 13 42.5700 . . 1 . . . . 67 LEU CB . 25466 1 250 . 1 1 80 80 LEU N N 15 120.8850 . . 1 . . . . 67 LEU N . 25466 1 251 . 1 1 81 81 THR H H 1 8.4550 . . 1 . . . . 68 THR H . 25466 1 252 . 1 1 81 81 THR CA C 13 65.9400 . . 1 . . . . 68 THR CA . 25466 1 253 . 1 1 81 81 THR CB C 13 68.2800 . . 1 . . . . 68 THR CB . 25466 1 254 . 1 1 81 81 THR N N 15 110.0200 . . 1 . . . . 68 THR N . 25466 1 255 . 1 1 82 82 SER H H 1 7.7630 . . 1 . . . . 69 SER H . 25466 1 256 . 1 1 82 82 SER CA C 13 60.8200 . . 1 . . . . 69 SER CA . 25466 1 257 . 1 1 82 82 SER CB C 13 63.2700 . . 1 . . . . 69 SER CB . 25466 1 258 . 1 1 82 82 SER N N 15 116.4820 . . 1 . . . . 69 SER N . 25466 1 259 . 1 1 83 83 GLN H H 1 7.6680 . . 1 . . . . 70 GLN H . 25466 1 260 . 1 1 83 83 GLN CA C 13 57.4000 . . 1 . . . . 70 GLN CA . 25466 1 261 . 1 1 83 83 GLN CB C 13 29.4500 . . 1 . . . . 70 GLN CB . 25466 1 262 . 1 1 83 83 GLN N N 15 118.8610 . . 1 . . . . 70 GLN N . 25466 1 263 . 1 1 84 84 LEU H H 1 7.5200 . . 1 . . . . 71 LEU H . 25466 1 264 . 1 1 84 84 LEU CA C 13 55.1600 . . 1 . . . . 71 LEU CA . 25466 1 265 . 1 1 84 84 LEU CB C 13 43.8500 . . 1 . . . . 71 LEU CB . 25466 1 266 . 1 1 84 84 LEU N N 15 118.7780 . . 1 . . . . 71 LEU N . 25466 1 267 . 1 1 86 86 ILE H H 1 8.6100 . . 1 . . . . 73 ILE H . 25466 1 268 . 1 1 86 86 ILE CA C 13 61.9900 . . 1 . . . . 73 ILE CA . 25466 1 269 . 1 1 86 86 ILE CB C 13 38.8400 . . 1 . . . . 73 ILE CB . 25466 1 270 . 1 1 86 86 ILE N N 15 122.4990 . . 1 . . . . 73 ILE N . 25466 1 271 . 1 1 87 87 THR H H 1 8.2340 . . 1 . . . . 74 THR H . 25466 1 272 . 1 1 87 87 THR N N 15 117.3300 . . 1 . . . . 74 THR N . 25466 1 273 . 1 1 88 88 PRO CA C 13 62.2000 . . 1 . . . . 75 PRO CA . 25466 1 274 . 1 1 88 88 PRO CB C 13 31.2700 . . 1 . . . . 75 PRO CB . 25466 1 275 . 1 1 89 89 GLY H H 1 7.8950 . . 1 . . . . 76 GLY H . 25466 1 276 . 1 1 89 89 GLY CA C 13 46.4100 . . 1 . . . . 76 GLY CA . 25466 1 277 . 1 1 89 89 GLY N N 15 116.9370 . . 1 . . . . 76 GLY N . 25466 1 278 . 1 1 92 92 TYR H H 1 8.7410 . . 1 . . . . 79 TYR H . 25466 1 279 . 1 1 92 92 TYR N N 15 121.0530 . . 1 . . . . 79 TYR N . 25466 1 280 . 1 1 94 94 SER H H 1 7.3820 . . 1 . . . . 81 SER H . 25466 1 281 . 1 1 94 94 SER N N 15 114.5110 . . 1 . . . . 81 SER N . 25466 1 282 . 1 1 95 95 PHE H H 1 6.8620 . . 1 . . . . 82 PHE H . 25466 1 283 . 1 1 95 95 PHE N N 15 122.4770 . . 1 . . . . 82 PHE N . 25466 1 284 . 1 1 97 97 GLN H H 1 7.5940 . . 1 . . . . 84 GLN H . 25466 1 285 . 1 1 97 97 GLN CA C 13 59.2200 . . 1 . . . . 84 GLN CA . 25466 1 286 . 1 1 97 97 GLN CB C 13 28.4900 . . 1 . . . . 84 GLN CB . 25466 1 287 . 1 1 97 97 GLN N N 15 115.1210 . . 1 . . . . 84 GLN N . 25466 1 288 . 1 1 98 98 VAL H H 1 7.1760 . . 1 . . . . 85 VAL H . 25466 1 289 . 1 1 98 98 VAL CA C 13 66.2600 . . 1 . . . . 85 VAL CA . 25466 1 290 . 1 1 98 98 VAL CB C 13 31.6900 . . 1 . . . . 85 VAL CB . 25466 1 291 . 1 1 98 98 VAL N N 15 118.3290 . . 1 . . . . 85 VAL N . 25466 1 292 . 1 1 99 99 VAL H H 1 7.9270 . . 1 . . . . 86 VAL H . 25466 1 293 . 1 1 99 99 VAL CA C 13 66.2600 . . 1 . . . . 86 VAL CA . 25466 1 294 . 1 1 99 99 VAL CB C 13 30.8400 . . 1 . . . . 86 VAL CB . 25466 1 295 . 1 1 99 99 VAL N N 15 119.7430 . . 1 . . . . 86 VAL N . 25466 1 296 . 1 1 100 100 ASN H H 1 8.3830 . . 1 . . . . 87 ASN H . 25466 1 297 . 1 1 100 100 ASN CA C 13 55.4800 . . 1 . . . . 87 ASN CA . 25466 1 298 . 1 1 100 100 ASN CB C 13 37.4500 . . 1 . . . . 87 ASN CB . 25466 1 299 . 1 1 100 100 ASN N N 15 117.6000 . . 1 . . . . 87 ASN N . 25466 1 300 . 1 1 101 101 GLU H H 1 7.3930 . . 1 . . . . 88 GLU H . 25466 1 301 . 1 1 101 101 GLU CA C 13 59.1100 . . 1 . . . . 88 GLU CA . 25466 1 302 . 1 1 101 101 GLU CB C 13 28.9200 . . 1 . . . . 88 GLU CB . 25466 1 303 . 1 1 101 101 GLU N N 15 118.7910 . . 1 . . . . 88 GLU N . 25466 1 304 . 1 1 102 102 LEU H H 1 7.6210 . . 1 . . . . 89 LEU H . 25466 1 305 . 1 1 102 102 LEU CA C 13 57.4000 . . 1 . . . . 89 LEU CA . 25466 1 306 . 1 1 102 102 LEU CB C 13 41.5100 . . 1 . . . . 89 LEU CB . 25466 1 307 . 1 1 102 102 LEU N N 15 120.4210 . . 1 . . . . 89 LEU N . 25466 1 308 . 1 1 103 103 PHE H H 1 6.9960 . . 1 . . . . 90 PHE H . 25466 1 309 . 1 1 103 103 PHE CA C 13 57.4000 . . 1 . . . . 90 PHE CA . 25466 1 310 . 1 1 103 103 PHE CB C 13 39.2700 . . 1 . . . . 90 PHE CB . 25466 1 311 . 1 1 103 103 PHE N N 15 113.0430 . . 1 . . . . 90 PHE N . 25466 1 312 . 1 1 104 104 ARG H H 1 7.2350 . . 1 . . . . 91 ARG H . 25466 1 313 . 1 1 104 104 ARG CA C 13 59.7500 . . 1 . . . . 91 ARG CA . 25466 1 314 . 1 1 104 104 ARG CB C 13 30.0900 . . 1 . . . . 91 ARG CB . 25466 1 315 . 1 1 104 104 ARG N N 15 123.6220 . . 1 . . . . 91 ARG N . 25466 1 316 . 1 1 105 105 ASP H H 1 8.5740 . . 1 . . . . 92 ASP H . 25466 1 317 . 1 1 105 105 ASP CA C 13 54.0900 . . 1 . . . . 92 ASP CA . 25466 1 318 . 1 1 105 105 ASP CB C 13 40.6500 . . 1 . . . . 92 ASP CB . 25466 1 319 . 1 1 105 105 ASP N N 15 116.6870 . . 1 . . . . 92 ASP N . 25466 1 320 . 1 1 106 106 GLY H H 1 7.5190 . . 1 . . . . 93 GLY H . 25466 1 321 . 1 1 106 106 GLY CA C 13 43.8500 . . 1 . . . . 93 GLY CA . 25466 1 322 . 1 1 106 106 GLY N N 15 108.5340 . . 1 . . . . 93 GLY N . 25466 1 323 . 1 1 107 107 VAL H H 1 8.1310 . . 1 . . . . 94 VAL H . 25466 1 324 . 1 1 107 107 VAL CA C 13 62.6300 . . 1 . . . . 94 VAL CA . 25466 1 325 . 1 1 107 107 VAL CB C 13 32.0100 . . 1 . . . . 94 VAL CB . 25466 1 326 . 1 1 107 107 VAL N N 15 120.2160 . . 1 . . . . 94 VAL N . 25466 1 327 . 1 1 108 108 ASN H H 1 6.3580 . . 1 . . . . 95 ASN H . 25466 1 328 . 1 1 108 108 ASN CA C 13 51.9600 . . 1 . . . . 95 ASN CA . 25466 1 329 . 1 1 108 108 ASN CB C 13 39.6900 . . 1 . . . . 95 ASN CB . 25466 1 330 . 1 1 108 108 ASN N N 15 116.0900 . . 1 . . . . 95 ASN N . 25466 1 331 . 1 1 109 109 TRP H H 1 8.3520 . . 1 . . . . 96 TRP H . 25466 1 332 . 1 1 109 109 TRP CA C 13 61.0300 . . 1 . . . . 96 TRP CA . 25466 1 333 . 1 1 109 109 TRP CB C 13 30.8400 . . 1 . . . . 96 TRP CB . 25466 1 334 . 1 1 109 109 TRP N N 15 118.0870 . . 1 . . . . 96 TRP N . 25466 1 335 . 1 1 110 110 GLY H H 1 8.2690 . . 1 . . . . 97 GLY H . 25466 1 336 . 1 1 110 110 GLY CA C 13 47.8000 . . 1 . . . . 97 GLY CA . 25466 1 337 . 1 1 110 110 GLY N N 15 106.2650 . . 1 . . . . 97 GLY N . 25466 1 338 . 1 1 111 111 ARG CA C 13 59.0000 . . 1 . . . . 98 ARG CA . 25466 1 339 . 1 1 111 111 ARG CB C 13 30.9500 . . 1 . . . . 98 ARG CB . 25466 1 340 . 1 1 112 112 ILE H H 1 7.7550 . . 1 . . . . 99 ILE H . 25466 1 341 . 1 1 112 112 ILE CA C 13 67.0000 . . 1 . . . . 99 ILE CA . 25466 1 342 . 1 1 112 112 ILE CB C 13 37.0300 . . 1 . . . . 99 ILE CB . 25466 1 343 . 1 1 112 112 ILE N N 15 120.5510 . . 1 . . . . 99 ILE N . 25466 1 344 . 1 1 113 113 VAL H H 1 8.2260 . . 1 . . . . 100 VAL H . 25466 1 345 . 1 1 113 113 VAL CA C 13 68.1800 . . 1 . . . . 100 VAL CA . 25466 1 346 . 1 1 113 113 VAL CB C 13 30.7300 . . 1 . . . . 100 VAL CB . 25466 1 347 . 1 1 113 113 VAL N N 15 121.2080 . . 1 . . . . 100 VAL N . 25466 1 348 . 1 1 114 114 ALA H H 1 7.9200 . . 1 . . . . 101 ALA H . 25466 1 349 . 1 1 114 114 ALA CA C 13 55.3700 . . 1 . . . . 101 ALA CA . 25466 1 350 . 1 1 114 114 ALA CB C 13 18.3600 . . 1 . . . . 101 ALA CB . 25466 1 351 . 1 1 114 114 ALA N N 15 121.9360 . . 1 . . . . 101 ALA N . 25466 1 352 . 1 1 115 115 PHE H H 1 8.0980 . . 1 . . . . 102 PHE H . 25466 1 353 . 1 1 115 115 PHE CA C 13 60.8200 . . 1 . . . . 102 PHE CA . 25466 1 354 . 1 1 115 115 PHE CB C 13 38.5200 . . 1 . . . . 102 PHE CB . 25466 1 355 . 1 1 115 115 PHE N N 15 119.7260 . . 1 . . . . 102 PHE N . 25466 1 356 . 1 1 116 116 PHE H H 1 8.0180 . . 1 . . . . 103 PHE H . 25466 1 357 . 1 1 116 116 PHE CA C 13 62.8400 . . 1 . . . . 103 PHE CA . 25466 1 358 . 1 1 116 116 PHE CB C 13 36.4900 . . 1 . . . . 103 PHE CB . 25466 1 359 . 1 1 116 116 PHE N N 15 120.6330 . . 1 . . . . 103 PHE N . 25466 1 360 . 1 1 117 117 SER H H 1 8.5580 . . 1 . . . . 104 SER H . 25466 1 361 . 1 1 117 117 SER CA C 13 63.4800 . . 1 . . . . 104 SER CA . 25466 1 362 . 1 1 117 117 SER CB C 13 57.4000 . . 1 . . . . 104 SER CB . 25466 1 363 . 1 1 117 117 SER N N 15 114.8020 . . 1 . . . . 104 SER N . 25466 1 364 . 1 1 118 118 PHE H H 1 9.1220 . . 1 . . . . 105 PHE H . 25466 1 365 . 1 1 118 118 PHE CA C 13 60.3900 . . 1 . . . . 105 PHE CA . 25466 1 366 . 1 1 118 118 PHE CB C 13 38.6300 . . 1 . . . . 105 PHE CB . 25466 1 367 . 1 1 118 118 PHE N N 15 124.3920 . . 1 . . . . 105 PHE N . 25466 1 368 . 1 1 119 119 GLY H H 1 8.0650 . . 1 . . . . 106 GLY H . 25466 1 369 . 1 1 119 119 GLY CA C 13 48.0100 . . 1 . . . . 106 GLY CA . 25466 1 370 . 1 1 119 119 GLY N N 15 106.5410 . . 1 . . . . 106 GLY N . 25466 1 371 . 1 1 120 120 GLY H H 1 8.8910 . . 1 . . . . 107 GLY H . 25466 1 372 . 1 1 120 120 GLY CA C 13 47.9100 . . 1 . . . . 107 GLY CA . 25466 1 373 . 1 1 120 120 GLY N N 15 107.7410 . . 1 . . . . 107 GLY N . 25466 1 374 . 1 1 121 121 ALA H H 1 8.3270 . . 1 . . . . 108 ALA H . 25466 1 375 . 1 1 121 121 ALA CA C 13 55.1600 . . 1 . . . . 108 ALA CA . 25466 1 376 . 1 1 121 121 ALA CB C 13 18.0400 . . 1 . . . . 108 ALA CB . 25466 1 377 . 1 1 121 121 ALA N N 15 124.9990 . . 1 . . . . 108 ALA N . 25466 1 378 . 1 1 122 122 LEU H H 1 8.2590 . . 1 . . . . 109 LEU H . 25466 1 379 . 1 1 122 122 LEU CA C 13 57.4000 . . 1 . . . . 109 LEU CA . 25466 1 380 . 1 1 122 122 LEU CB C 13 42.3600 . . 1 . . . . 109 LEU CB . 25466 1 381 . 1 1 122 122 LEU N N 15 119.0440 . . 1 . . . . 109 LEU N . 25466 1 382 . 1 1 123 123 CYS H H 1 8.2100 . . 1 . . . . 110 CYS H . 25466 1 383 . 1 1 123 123 CYS CA C 13 64.5500 . . 1 . . . . 110 CYS CA . 25466 1 384 . 1 1 123 123 CYS CB C 13 26.6800 . . 1 . . . . 110 CYS CB . 25466 1 385 . 1 1 123 123 CYS N N 15 119.3220 . . 1 . . . . 110 CYS N . 25466 1 386 . 1 1 124 124 VAL H H 1 8.0850 . . 1 . . . . 111 VAL H . 25466 1 387 . 1 1 124 124 VAL CA C 13 67.3200 . . 1 . . . . 111 VAL CA . 25466 1 388 . 1 1 124 124 VAL CB C 13 31.6900 . . 1 . . . . 111 VAL CB . 25466 1 389 . 1 1 124 124 VAL N N 15 118.8750 . . 1 . . . . 111 VAL N . 25466 1 390 . 1 1 125 125 GLU H H 1 8.1590 . . 1 . . . . 112 GLU H . 25466 1 391 . 1 1 125 125 GLU CA C 13 59.3200 . . 1 . . . . 112 GLU CA . 25466 1 392 . 1 1 125 125 GLU CB C 13 29.3500 . . 1 . . . . 112 GLU CB . 25466 1 393 . 1 1 125 125 GLU N N 15 119.4850 . . 1 . . . . 112 GLU N . 25466 1 394 . 1 1 126 126 SER H H 1 7.7630 . . 1 . . . . 113 SER H . 25466 1 395 . 1 1 126 126 SER CA C 13 63.3800 . . 1 . . . . 113 SER CA . 25466 1 396 . 1 1 126 126 SER CB C 13 62.3100 . . 1 . . . . 113 SER CB . 25466 1 397 . 1 1 126 126 SER N N 15 113.7660 . . 1 . . . . 113 SER N . 25466 1 398 . 1 1 127 127 VAL H H 1 7.4200 . . 1 . . . . 114 VAL H . 25466 1 399 . 1 1 127 127 VAL CA C 13 66.6800 . . 1 . . . . 114 VAL CA . 25466 1 400 . 1 1 127 127 VAL CB C 13 31.1600 . . 1 . . . . 114 VAL CB . 25466 1 401 . 1 1 127 127 VAL N N 15 120.9460 . . 1 . . . . 114 VAL N . 25466 1 402 . 1 1 128 128 ASP H H 1 8.3100 . . 1 . . . . 115 ASP H . 25466 1 403 . 1 1 128 128 ASP CA C 13 57.4000 . . 1 . . . . 115 ASP CA . 25466 1 404 . 1 1 128 128 ASP CB C 13 41.0800 . . 1 . . . . 115 ASP CB . 25466 1 405 . 1 1 128 128 ASP N N 15 123.0250 . . 1 . . . . 115 ASP N . 25466 1 406 . 1 1 129 129 LYS H H 1 7.6700 . . 1 . . . . 116 LYS H . 25466 1 407 . 1 1 129 129 LYS CA C 13 55.8000 . . 1 . . . . 116 LYS CA . 25466 1 408 . 1 1 129 129 LYS CB C 13 32.2300 . . 1 . . . . 116 LYS CB . 25466 1 409 . 1 1 129 129 LYS N N 15 116.2420 . . 1 . . . . 116 LYS N . 25466 1 410 . 1 1 130 130 GLU H H 1 7.9490 . . 1 . . . . 117 GLU H . 25466 1 411 . 1 1 130 130 GLU CA C 13 57.8300 . . 1 . . . . 117 GLU CA . 25466 1 412 . 1 1 130 130 GLU CB C 13 26.5700 . . 1 . . . . 117 GLU CB . 25466 1 413 . 1 1 130 130 GLU N N 15 114.3030 . . 1 . . . . 117 GLU N . 25466 1 414 . 1 1 131 131 MET H H 1 8.5110 . . 1 . . . . 118 MET H . 25466 1 415 . 1 1 131 131 MET CA C 13 53.8800 . . 1 . . . . 118 MET CA . 25466 1 416 . 1 1 131 131 MET CB C 13 32.5500 . . 1 . . . . 118 MET CB . 25466 1 417 . 1 1 131 131 MET N N 15 119.2530 . . 1 . . . . 118 MET N . 25466 1 418 . 1 1 132 132 GLN H H 1 8.6990 . . 1 . . . . 119 GLN H . 25466 1 419 . 1 1 132 132 GLN CA C 13 60.2800 . . 1 . . . . 119 GLN CA . 25466 1 420 . 1 1 132 132 GLN CB C 13 27.5300 . . 1 . . . . 119 GLN CB . 25466 1 421 . 1 1 132 132 GLN N N 15 119.6130 . . 1 . . . . 119 GLN N . 25466 1 422 . 1 1 133 133 VAL H H 1 7.8820 . . 1 . . . . 120 VAL H . 25466 1 423 . 1 1 133 133 VAL CA C 13 63.8000 . . 1 . . . . 120 VAL CA . 25466 1 424 . 1 1 133 133 VAL CB C 13 31.1600 . . 1 . . . . 120 VAL CB . 25466 1 425 . 1 1 133 133 VAL N N 15 116.8430 . . 1 . . . . 120 VAL N . 25466 1 426 . 1 1 134 134 LEU H H 1 7.8630 . . 1 . . . . 121 LEU H . 25466 1 427 . 1 1 134 134 LEU CA C 13 55.6900 . . 1 . . . . 121 LEU CA . 25466 1 428 . 1 1 134 134 LEU CB C 13 41.5100 . . 1 . . . . 121 LEU CB . 25466 1 429 . 1 1 134 134 LEU N N 15 117.7190 . . 1 . . . . 121 LEU N . 25466 1 430 . 1 1 135 135 VAL H H 1 7.4640 . . 1 . . . . 122 VAL H . 25466 1 431 . 1 1 135 135 VAL CA C 13 68.0700 . . 1 . . . . 122 VAL CA . 25466 1 432 . 1 1 135 135 VAL CB C 13 30.8400 . . 1 . . . . 122 VAL CB . 25466 1 433 . 1 1 135 135 VAL N N 15 119.9970 . . 1 . . . . 122 VAL N . 25466 1 434 . 1 1 136 136 SER H H 1 8.2240 . . 1 . . . . 123 SER H . 25466 1 435 . 1 1 136 136 SER CA C 13 60.1400 . . 1 . . . . 123 SER CA . 25466 1 436 . 1 1 136 136 SER CB C 13 62.5200 . . 1 . . . . 123 SER CB . 25466 1 437 . 1 1 136 136 SER N N 15 111.0160 . . 1 . . . . 123 SER N . 25466 1 438 . 1 1 137 137 ARG H H 1 6.7260 . . 1 . . . . 124 ARG H . 25466 1 439 . 1 1 137 137 ARG CA C 13 58.7900 . . 1 . . . . 124 ARG CA . 25466 1 440 . 1 1 137 137 ARG CB C 13 29.5600 . . 1 . . . . 124 ARG CB . 25466 1 441 . 1 1 137 137 ARG N N 15 123.1310 . . 1 . . . . 124 ARG N . 25466 1 442 . 1 1 138 138 ILE H H 1 8.0830 . . 1 . . . . 125 ILE H . 25466 1 443 . 1 1 138 138 ILE CA C 13 64.9800 . . 1 . . . . 125 ILE CA . 25466 1 444 . 1 1 138 138 ILE CB C 13 37.6700 . . 1 . . . . 125 ILE CB . 25466 1 445 . 1 1 138 138 ILE N N 15 118.7060 . . 1 . . . . 125 ILE N . 25466 1 446 . 1 1 139 139 ALA H H 1 7.6790 . . 1 . . . . 126 ALA H . 25466 1 447 . 1 1 139 139 ALA CA C 13 55.2700 . . 1 . . . . 126 ALA CA . 25466 1 448 . 1 1 139 139 ALA CB C 13 18.1500 . . 1 . . . . 126 ALA CB . 25466 1 449 . 1 1 139 139 ALA N N 15 119.6950 . . 1 . . . . 126 ALA N . 25466 1 450 . 1 1 140 140 ALA H H 1 7.3260 . . 1 . . . . 127 ALA H . 25466 1 451 . 1 1 140 140 ALA CA C 13 55.2700 . . 1 . . . . 127 ALA CA . 25466 1 452 . 1 1 140 140 ALA CB C 13 17.8300 . . 1 . . . . 127 ALA CB . 25466 1 453 . 1 1 140 140 ALA N N 15 120.6860 . . 1 . . . . 127 ALA N . 25466 1 454 . 1 1 141 141 TRP H H 1 9.0720 . . 1 . . . . 128 TRP H . 25466 1 455 . 1 1 141 141 TRP CA C 13 57.9400 . . 1 . . . . 128 TRP CA . 25466 1 456 . 1 1 141 141 TRP CB C 13 28.7100 . . 1 . . . . 128 TRP CB . 25466 1 457 . 1 1 141 141 TRP N N 15 121.8820 . . 1 . . . . 128 TRP N . 25466 1 458 . 1 1 142 142 MET H H 1 9.0050 . . 1 . . . . 129 MET H . 25466 1 459 . 1 1 142 142 MET CA C 13 60.3900 . . 1 . . . . 129 MET CA . 25466 1 460 . 1 1 142 142 MET CB C 13 34.7900 . . 1 . . . . 129 MET CB . 25466 1 461 . 1 1 142 142 MET N N 15 117.5980 . . 1 . . . . 129 MET N . 25466 1 462 . 1 1 143 143 ALA H H 1 8.3020 . . 1 . . . . 130 ALA H . 25466 1 463 . 1 1 143 143 ALA CA C 13 56.2300 . . 1 . . . . 130 ALA CA . 25466 1 464 . 1 1 143 143 ALA CB C 13 17.5100 . . 1 . . . . 130 ALA CB . 25466 1 465 . 1 1 143 143 ALA N N 15 120.9840 . . 1 . . . . 130 ALA N . 25466 1 466 . 1 1 144 144 THR H H 1 8.5730 . . 1 . . . . 131 THR H . 25466 1 467 . 1 1 144 144 THR CA C 13 67.4300 . . 1 . . . . 131 THR CA . 25466 1 468 . 1 1 144 144 THR CB C 13 69.2400 . . 1 . . . . 131 THR CB . 25466 1 469 . 1 1 144 144 THR N N 15 116.6870 . . 1 . . . . 131 THR N . 25466 1 470 . 1 1 145 145 TYR H H 1 8.8810 . . 1 . . . . 132 TYR H . 25466 1 471 . 1 1 145 145 TYR CA C 13 63.4800 . . 1 . . . . 132 TYR CA . 25466 1 472 . 1 1 145 145 TYR CB C 13 39.3700 . . 1 . . . . 132 TYR CB . 25466 1 473 . 1 1 145 145 TYR N N 15 123.7390 . . 1 . . . . 132 TYR N . 25466 1 474 . 1 1 146 146 LEU H H 1 8.8270 . . 1 . . . . 133 LEU H . 25466 1 475 . 1 1 146 146 LEU CA C 13 59.4300 . . 1 . . . . 133 LEU CA . 25466 1 476 . 1 1 146 146 LEU CB C 13 43.1100 . . 1 . . . . 133 LEU CB . 25466 1 477 . 1 1 146 146 LEU N N 15 119.7020 . . 1 . . . . 133 LEU N . 25466 1 478 . 1 1 147 147 ASN H H 1 8.3820 . . 1 . . . . 134 ASN H . 25466 1 479 . 1 1 147 147 ASN CA C 13 56.9700 . . 1 . . . . 134 ASN CA . 25466 1 480 . 1 1 147 147 ASN CB C 13 39.3700 . . 1 . . . . 134 ASN CB . 25466 1 481 . 1 1 147 147 ASN N N 15 117.7030 . . 1 . . . . 134 ASN N . 25466 1 482 . 1 1 148 148 ASP H H 1 8.4700 . . 1 . . . . 135 ASP H . 25466 1 483 . 1 1 148 148 ASP CA C 13 56.7600 . . 1 . . . . 135 ASP CA . 25466 1 484 . 1 1 148 148 ASP CB C 13 40.9700 . . 1 . . . . 135 ASP CB . 25466 1 485 . 1 1 148 148 ASP N N 15 115.3560 . . 1 . . . . 135 ASP N . 25466 1 486 . 1 1 149 149 HIS H H 1 8.1300 . . 1 . . . . 136 HIS H . 25466 1 487 . 1 1 149 149 HIS CA C 13 56.7600 . . 1 . . . . 136 HIS CA . 25466 1 488 . 1 1 149 149 HIS CB C 13 30.9500 . . 1 . . . . 136 HIS CB . 25466 1 489 . 1 1 149 149 HIS N N 15 112.0750 . . 1 . . . . 136 HIS N . 25466 1 490 . 1 1 150 150 LEU H H 1 7.2900 . . 1 . . . . 137 LEU H . 25466 1 491 . 1 1 150 150 LEU CA C 13 55.6900 . . 1 . . . . 137 LEU CA . 25466 1 492 . 1 1 150 150 LEU CB C 13 43.3200 . . 1 . . . . 137 LEU CB . 25466 1 493 . 1 1 150 150 LEU N N 15 117.1370 . . 1 . . . . 137 LEU N . 25466 1 494 . 1 1 151 151 GLU H H 1 8.6730 . . 1 . . . . 138 GLU H . 25466 1 495 . 1 1 151 151 GLU CA C 13 60.9200 . . 1 . . . . 138 GLU CA . 25466 1 496 . 1 1 151 151 GLU CB C 13 27.4300 . . 1 . . . . 138 GLU CB . 25466 1 497 . 1 1 151 151 GLU N N 15 122.0580 . . 1 . . . . 138 GLU N . 25466 1 498 . 1 1 152 152 PRO CA C 13 66.3600 . . 1 . . . . 139 PRO CA . 25466 1 499 . 1 1 152 152 PRO CB C 13 30.6300 . . 1 . . . . 139 PRO CB . 25466 1 500 . 1 1 153 153 TRP H H 1 7.1210 . . 1 . . . . 140 TRP H . 25466 1 501 . 1 1 153 153 TRP CA C 13 62.2000 . . 1 . . . . 140 TRP CA . 25466 1 502 . 1 1 153 153 TRP CB C 13 28.8100 . . 1 . . . . 140 TRP CB . 25466 1 503 . 1 1 153 153 TRP N N 15 117.9930 . . 1 . . . . 140 TRP N . 25466 1 504 . 1 1 154 154 ILE H H 1 8.4520 . . 1 . . . . 141 ILE H . 25466 1 505 . 1 1 154 154 ILE CA C 13 66.2600 . . 1 . . . . 141 ILE CA . 25466 1 506 . 1 1 154 154 ILE CB C 13 38.2000 . . 1 . . . . 141 ILE CB . 25466 1 507 . 1 1 154 154 ILE N N 15 122.5360 . . 1 . . . . 141 ILE N . 25466 1 508 . 1 1 155 155 GLN H H 1 8.5040 . . 1 . . . . 142 GLN H . 25466 1 509 . 1 1 155 155 GLN CA C 13 58.7900 . . 1 . . . . 142 GLN CA . 25466 1 510 . 1 1 155 155 GLN CB C 13 28.0700 . . 1 . . . . 142 GLN CB . 25466 1 511 . 1 1 155 155 GLN N N 15 117.0040 . . 1 . . . . 142 GLN N . 25466 1 512 . 1 1 156 156 GLU H H 1 7.5870 . . 1 . . . . 143 GLU H . 25466 1 513 . 1 1 156 156 GLU CA C 13 58.1500 . . 1 . . . . 143 GLU CA . 25466 1 514 . 1 1 156 156 GLU CB C 13 29.7700 . . 1 . . . . 143 GLU CB . 25466 1 515 . 1 1 156 156 GLU N N 15 119.3420 . . 1 . . . . 143 GLU N . 25466 1 516 . 1 1 157 157 ASN H H 1 7.1950 . . 1 . . . . 144 ASN H . 25466 1 517 . 1 1 157 157 ASN CA C 13 53.7700 . . 1 . . . . 144 ASN CA . 25466 1 518 . 1 1 157 157 ASN CB C 13 38.0900 . . 1 . . . . 144 ASN CB . 25466 1 519 . 1 1 157 157 ASN N N 15 116.7900 . . 1 . . . . 144 ASN N . 25466 1 520 . 1 1 158 158 GLY H H 1 7.4390 . . 1 . . . . 145 GLY H . 25466 1 521 . 1 1 158 158 GLY CA C 13 45.8800 . . 1 . . . . 145 GLY CA . 25466 1 522 . 1 1 158 158 GLY N N 15 105.3090 . . 1 . . . . 145 GLY N . 25466 1 523 . 1 1 159 159 GLY H H 1 8.5480 . . 1 . . . . 146 GLY H . 25466 1 524 . 1 1 159 159 GLY CA C 13 44.6000 . . 1 . . . . 146 GLY CA . 25466 1 525 . 1 1 159 159 GLY N N 15 108.5290 . . 1 . . . . 146 GLY N . 25466 1 526 . 1 1 160 160 TRP H H 1 8.6540 . . 1 . . . . 147 TRP H . 25466 1 527 . 1 1 160 160 TRP CA C 13 60.8200 . . 1 . . . . 147 TRP CA . 25466 1 528 . 1 1 160 160 TRP CB C 13 29.6700 . . 1 . . . . 147 TRP CB . 25466 1 529 . 1 1 160 160 TRP N N 15 118.3600 . . 1 . . . . 147 TRP N . 25466 1 530 . 1 1 161 161 ASP H H 1 8.8140 . . 1 . . . . 148 ASP H . 25466 1 531 . 1 1 161 161 ASP CA C 13 57.9400 . . 1 . . . . 148 ASP CA . 25466 1 532 . 1 1 161 161 ASP CB C 13 40.5500 . . 1 . . . . 148 ASP CB . 25466 1 533 . 1 1 161 161 ASP N N 15 117.8620 . . 1 . . . . 148 ASP N . 25466 1 534 . 1 1 162 162 THR H H 1 7.6000 . . 1 . . . . 149 THR H . 25466 1 535 . 1 1 162 162 THR CA C 13 66.2600 . . 1 . . . . 149 THR CA . 25466 1 536 . 1 1 162 162 THR CB C 13 68.3900 . . 1 . . . . 149 THR CB . 25466 1 537 . 1 1 162 162 THR N N 15 116.7330 . . 1 . . . . 149 THR N . 25466 1 538 . 1 1 163 163 PHE H H 1 6.6490 . . 1 . . . . 150 PHE H . 25466 1 539 . 1 1 163 163 PHE CA C 13 61.8800 . . 1 . . . . 150 PHE CA . 25466 1 540 . 1 1 163 163 PHE CB C 13 38.0900 . . 1 . . . . 150 PHE CB . 25466 1 541 . 1 1 163 163 PHE N N 15 122.2390 . . 1 . . . . 150 PHE N . 25466 1 542 . 1 1 164 164 VAL H H 1 7.7980 . . 1 . . . . 151 VAL H . 25466 1 543 . 1 1 164 164 VAL CA C 13 66.5800 . . 1 . . . . 151 VAL CA . 25466 1 544 . 1 1 164 164 VAL CB C 13 31.5900 . . 1 . . . . 151 VAL CB . 25466 1 545 . 1 1 164 164 VAL N N 15 117.4320 . . 1 . . . . 151 VAL N . 25466 1 546 . 1 1 165 165 GLU H H 1 7.5230 . . 1 . . . . 152 GLU H . 25466 1 547 . 1 1 165 165 GLU CA C 13 59.2200 . . 1 . . . . 152 GLU CA . 25466 1 548 . 1 1 165 165 GLU CB C 13 29.6700 . . 1 . . . . 152 GLU CB . 25466 1 549 . 1 1 165 165 GLU N N 15 120.0530 . . 1 . . . . 152 GLU N . 25466 1 550 . 1 1 166 166 LEU H H 1 7.7110 . . 1 . . . . 153 LEU H . 25466 1 551 . 1 1 166 166 LEU CA C 13 57.0800 . . 1 . . . . 153 LEU CA . 25466 1 552 . 1 1 166 166 LEU CB C 13 43.5300 . . 1 . . . . 153 LEU CB . 25466 1 553 . 1 1 166 166 LEU N N 15 117.7030 . . 1 . . . . 153 LEU N . 25466 1 554 . 1 1 167 167 TYR H H 1 8.1970 . . 1 . . . . 154 TYR H . 25466 1 555 . 1 1 167 167 TYR CA C 13 59.8600 . . 1 . . . . 154 TYR CA . 25466 1 556 . 1 1 167 167 TYR CB C 13 39.0500 . . 1 . . . . 154 TYR CB . 25466 1 557 . 1 1 167 167 TYR N N 15 116.3150 . . 1 . . . . 154 TYR N . 25466 1 558 . 1 1 168 168 GLY H H 1 7.9490 . . 1 . . . . 155 GLY H . 25466 1 559 . 1 1 168 168 GLY CA C 13 45.6700 . . 1 . . . . 155 GLY CA . 25466 1 560 . 1 1 168 168 GLY N N 15 107.3040 . . 1 . . . . 155 GLY N . 25466 1 561 . 1 1 169 169 ASN H H 1 8.2820 . . 1 . . . . 156 ASN H . 25466 1 562 . 1 1 169 169 ASN CA C 13 53.5600 . . 1 . . . . 156 ASN CA . 25466 1 563 . 1 1 169 169 ASN CB C 13 38.9500 . . 1 . . . . 156 ASN CB . 25466 1 564 . 1 1 169 169 ASN N N 15 118.4040 . . 1 . . . . 156 ASN N . 25466 1 565 . 1 1 170 170 ASN CA C 13 54.0200 . . 1 . . . . 157 ASN CA . 25466 1 566 . 1 1 170 170 ASN CB C 13 39.0500 . . 1 . . . . 157 ASN CB . 25466 1 567 . 1 1 171 171 ALA H H 1 8.0970 . . 1 . . . . 158 ALA H . 25466 1 568 . 1 1 171 171 ALA CA C 13 53.5600 . . 1 . . . . 158 ALA CA . 25466 1 569 . 1 1 171 171 ALA CB C 13 18.8900 . . 1 . . . . 158 ALA CB . 25466 1 570 . 1 1 171 171 ALA N N 15 123.4260 . . 1 . . . . 158 ALA N . 25466 1 571 . 1 1 172 172 ALA H H 1 8.0370 . . 1 . . . . 159 ALA H . 25466 1 572 . 1 1 172 172 ALA CA C 13 53.1300 . . 1 . . . . 159 ALA CA . 25466 1 573 . 1 1 172 172 ALA CB C 13 18.8900 . . 1 . . . . 159 ALA CB . 25466 1 574 . 1 1 172 172 ALA N N 15 121.6850 . . 1 . . . . 159 ALA N . 25466 1 575 . 1 1 173 173 ALA H H 1 7.9940 . . 1 . . . . 160 ALA H . 25466 1 576 . 1 1 173 173 ALA CA C 13 53.6700 . . 1 . . . . 160 ALA CA . 25466 1 577 . 1 1 173 173 ALA CB C 13 18.8900 . . 1 . . . . 160 ALA CB . 25466 1 578 . 1 1 173 173 ALA N N 15 122.4450 . . 1 . . . . 160 ALA N . 25466 1 579 . 1 1 174 174 GLU H H 1 8.2960 . . 1 . . . . 161 GLU H . 25466 1 580 . 1 1 174 174 GLU N N 15 118.4420 . . 1 . . . . 161 GLU N . 25466 1 581 . 1 1 188 188 THR H H 1 7.9150 . . 1 . . . . 175 THR H . 25466 1 582 . 1 1 188 188 THR CA C 13 62.4200 . . 1 . . . . 175 THR CA . 25466 1 583 . 1 1 188 188 THR CB C 13 69.9900 . . 1 . . . . 175 THR CB . 25466 1 584 . 1 1 188 188 THR N N 15 112.8100 . . 1 . . . . 175 THR N . 25466 1 585 . 1 1 189 189 GLY H H 1 8.2700 . . 1 . . . . 176 GLY H . 25466 1 586 . 1 1 189 189 GLY CA C 13 45.6700 . . 1 . . . . 176 GLY CA . 25466 1 587 . 1 1 189 189 GLY N N 15 110.9970 . . 1 . . . . 176 GLY N . 25466 1 588 . 1 1 190 190 MET H H 1 7.6730 . . 1 . . . . 177 MET H . 25466 1 589 . 1 1 190 190 MET CA C 13 57.0800 . . 1 . . . . 177 MET CA . 25466 1 590 . 1 1 190 190 MET CB C 13 34.2500 . . 1 . . . . 177 MET CB . 25466 1 591 . 1 1 190 190 MET N N 15 124.5760 . . 1 . . . . 177 MET N . 25466 1 592 . 1 1 193 193 ALA H H 1 8.0910 . . 1 . . . . 180 ALA H . 25466 1 593 . 1 1 193 193 ALA CA C 13 50.8900 . . 1 . . . . 180 ALA CA . 25466 1 594 . 1 1 193 193 ALA CB C 13 19.2100 . . 1 . . . . 180 ALA CB . 25466 1 595 . 1 1 193 193 ALA N N 15 124.7750 . . 1 . . . . 180 ALA N . 25466 1 stop_ save_