data_17922 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17922 _Entry.Title ; Backbone 1H, 13C, 15N assignment of HIV-1 accessory protein Nef ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-09-06 _Entry.Accession_date 2011-09-06 _Entry.Last_release_date 2012-09-20 _Entry.Original_release_date 2012-09-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 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.Entry_ID 1 Jinwon Jung . . . 17922 2 In-Ja Byeon . L. . 17922 3 Jinwoo Ahn . . . 17922 4 Angela Gronenborn . M. . 17922 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17922 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 509 17922 '15N chemical shifts' 150 17922 '1H chemical shifts' 159 17922 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-09-20 2011-09-06 original author . 17922 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17922 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21365684 _Citation.Full_citation . _Citation.Title 'Structure, dynamics, and Hck interaction of full-length HIV-1 Nef.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full Proteins _Citation.Journal_volume 79 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1609 _Citation.Page_last 1622 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jinwon Jung . . . 17922 1 2 In-Ja Byeon . L. . 17922 1 3 Jinwoo Ahn . . . 17922 1 4 Angela Gronenborn . M. . 17922 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID AIDS 17922 1 Hck 17922 1 HIV 17922 1 Nef 17922 1 SH2 17922 1 SH3 17922 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17922 _Assembly.ID 1 _Assembly.Name Nef _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Nef 1 $Nef A . yes native yes no . . . 17922 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Nef _Entity.Sf_category entity _Entity.Sf_framecode Nef _Entity.Entry_ID 17922 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Nef _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 ; MEGKWSKRSVSGWPAVRERM RRAEPAAEGVGAVSRDLEKH GAITSSNTAATNAACAWLEA QEEEEVGFPVRPQVPLRPMT YKAAVDLSHFLKEKGGLEGL IYSQKRQDILDLWVYHTQGY FPDWQNYTPGPGIRYPLTFG WCFKLVPVEPEKVEEANEGE NNCLLHPMSQHGMDDPEKEV LVWKFDSKLAFHHMARELHP EYYKDCAAALEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Last 11 residues are for histag. The second residue was changed to Glu from Gly to prevent Methionine cleavage.' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 217 _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no GB AAA03700 . "HIV-1 consensus Nef protein [Human immunodeficiency virus 1]" . . . . . 94.93 206 99.51 99.51 3.06e-150 . . . . 17922 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 17922 1 2 . GLU . 17922 1 3 . GLY . 17922 1 4 . LYS . 17922 1 5 . TRP . 17922 1 6 . SER . 17922 1 7 . LYS . 17922 1 8 . ARG . 17922 1 9 . SER . 17922 1 10 . VAL . 17922 1 11 . SER . 17922 1 12 . GLY . 17922 1 13 . TRP . 17922 1 14 . PRO . 17922 1 15 . ALA . 17922 1 16 . VAL . 17922 1 17 . ARG . 17922 1 18 . GLU . 17922 1 19 . ARG . 17922 1 20 . MET . 17922 1 21 . ARG . 17922 1 22 . ARG . 17922 1 23 . ALA . 17922 1 24 . GLU . 17922 1 25 . PRO . 17922 1 26 . ALA . 17922 1 27 . ALA . 17922 1 28 . GLU . 17922 1 29 . GLY . 17922 1 30 . VAL . 17922 1 31 . GLY . 17922 1 32 . ALA . 17922 1 33 . VAL . 17922 1 34 . SER . 17922 1 35 . ARG . 17922 1 36 . ASP . 17922 1 37 . LEU . 17922 1 38 . GLU . 17922 1 39 . LYS . 17922 1 40 . HIS . 17922 1 41 . GLY . 17922 1 42 . ALA . 17922 1 43 . ILE . 17922 1 44 . THR . 17922 1 45 . SER . 17922 1 46 . SER . 17922 1 47 . ASN . 17922 1 48 . THR . 17922 1 49 . ALA . 17922 1 50 . ALA . 17922 1 51 . THR . 17922 1 52 . ASN . 17922 1 53 . ALA . 17922 1 54 . ALA . 17922 1 55 . CYS . 17922 1 56 . ALA . 17922 1 57 . TRP . 17922 1 58 . LEU . 17922 1 59 . GLU . 17922 1 60 . ALA . 17922 1 61 . GLN . 17922 1 62 . GLU . 17922 1 63 . GLU . 17922 1 64 . GLU . 17922 1 65 . GLU . 17922 1 66 . VAL . 17922 1 67 . GLY . 17922 1 68 . PHE . 17922 1 69 . PRO . 17922 1 70 . VAL . 17922 1 71 . ARG . 17922 1 72 . PRO . 17922 1 73 . GLN . 17922 1 74 . VAL . 17922 1 75 . PRO . 17922 1 76 . LEU . 17922 1 77 . ARG . 17922 1 78 . PRO . 17922 1 79 . MET . 17922 1 80 . THR . 17922 1 81 . TYR . 17922 1 82 . LYS . 17922 1 83 . ALA . 17922 1 84 . ALA . 17922 1 85 . VAL . 17922 1 86 . ASP . 17922 1 87 . LEU . 17922 1 88 . SER . 17922 1 89 . HIS . 17922 1 90 . PHE . 17922 1 91 . LEU . 17922 1 92 . LYS . 17922 1 93 . GLU . 17922 1 94 . LYS . 17922 1 95 . GLY . 17922 1 96 . GLY . 17922 1 97 . LEU . 17922 1 98 . GLU . 17922 1 99 . GLY . 17922 1 100 . LEU . 17922 1 101 . ILE . 17922 1 102 . TYR . 17922 1 103 . SER . 17922 1 104 . GLN . 17922 1 105 . LYS . 17922 1 106 . ARG . 17922 1 107 . GLN . 17922 1 108 . ASP . 17922 1 109 . ILE . 17922 1 110 . LEU . 17922 1 111 . ASP . 17922 1 112 . LEU . 17922 1 113 . TRP . 17922 1 114 . VAL . 17922 1 115 . TYR . 17922 1 116 . HIS . 17922 1 117 . THR . 17922 1 118 . GLN . 17922 1 119 . GLY . 17922 1 120 . TYR . 17922 1 121 . PHE . 17922 1 122 . PRO . 17922 1 123 . ASP . 17922 1 124 . TRP . 17922 1 125 . GLN . 17922 1 126 . ASN . 17922 1 127 . TYR . 17922 1 128 . THR . 17922 1 129 . PRO . 17922 1 130 . GLY . 17922 1 131 . PRO . 17922 1 132 . GLY . 17922 1 133 . ILE . 17922 1 134 . ARG . 17922 1 135 . TYR . 17922 1 136 . PRO . 17922 1 137 . LEU . 17922 1 138 . THR . 17922 1 139 . PHE . 17922 1 140 . GLY . 17922 1 141 . TRP . 17922 1 142 . CYS . 17922 1 143 . PHE . 17922 1 144 . LYS . 17922 1 145 . LEU . 17922 1 146 . VAL . 17922 1 147 . PRO . 17922 1 148 . VAL . 17922 1 149 . GLU . 17922 1 150 . PRO . 17922 1 151 . GLU . 17922 1 152 . LYS . 17922 1 153 . VAL . 17922 1 154 . GLU . 17922 1 155 . GLU . 17922 1 156 . ALA . 17922 1 157 . ASN . 17922 1 158 . GLU . 17922 1 159 . GLY . 17922 1 160 . GLU . 17922 1 161 . ASN . 17922 1 162 . ASN . 17922 1 163 . CYS . 17922 1 164 . LEU . 17922 1 165 . LEU . 17922 1 166 . HIS . 17922 1 167 . PRO . 17922 1 168 . MET . 17922 1 169 . SER . 17922 1 170 . GLN . 17922 1 171 . HIS . 17922 1 172 . GLY . 17922 1 173 . MET . 17922 1 174 . ASP . 17922 1 175 . ASP . 17922 1 176 . PRO . 17922 1 177 . GLU . 17922 1 178 . LYS . 17922 1 179 . GLU . 17922 1 180 . VAL . 17922 1 181 . LEU . 17922 1 182 . VAL . 17922 1 183 . TRP . 17922 1 184 . LYS . 17922 1 185 . PHE . 17922 1 186 . ASP . 17922 1 187 . SER . 17922 1 188 . LYS . 17922 1 189 . LEU . 17922 1 190 . ALA . 17922 1 191 . PHE . 17922 1 192 . HIS . 17922 1 193 . HIS . 17922 1 194 . MET . 17922 1 195 . ALA . 17922 1 196 . ARG . 17922 1 197 . GLU . 17922 1 198 . LEU . 17922 1 199 . HIS . 17922 1 200 . PRO . 17922 1 201 . GLU . 17922 1 202 . TYR . 17922 1 203 . TYR . 17922 1 204 . LYS . 17922 1 205 . ASP . 17922 1 206 . CYS . 17922 1 207 . ALA . 17922 1 208 . ALA . 17922 1 209 . ALA . 17922 1 210 . LEU . 17922 1 211 . GLU . 17922 1 212 . HIS . 17922 1 213 . HIS . 17922 1 214 . HIS . 17922 1 215 . HIS . 17922 1 216 . HIS . 17922 1 217 . HIS . 17922 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 17922 1 . GLU 2 2 17922 1 . GLY 3 3 17922 1 . LYS 4 4 17922 1 . TRP 5 5 17922 1 . SER 6 6 17922 1 . LYS 7 7 17922 1 . ARG 8 8 17922 1 . SER 9 9 17922 1 . VAL 10 10 17922 1 . SER 11 11 17922 1 . GLY 12 12 17922 1 . TRP 13 13 17922 1 . PRO 14 14 17922 1 . ALA 15 15 17922 1 . VAL 16 16 17922 1 . ARG 17 17 17922 1 . GLU 18 18 17922 1 . ARG 19 19 17922 1 . MET 20 20 17922 1 . ARG 21 21 17922 1 . ARG 22 22 17922 1 . ALA 23 23 17922 1 . GLU 24 24 17922 1 . PRO 25 25 17922 1 . ALA 26 26 17922 1 . ALA 27 27 17922 1 . GLU 28 28 17922 1 . GLY 29 29 17922 1 . VAL 30 30 17922 1 . GLY 31 31 17922 1 . ALA 32 32 17922 1 . VAL 33 33 17922 1 . SER 34 34 17922 1 . ARG 35 35 17922 1 . ASP 36 36 17922 1 . LEU 37 37 17922 1 . GLU 38 38 17922 1 . LYS 39 39 17922 1 . HIS 40 40 17922 1 . GLY 41 41 17922 1 . ALA 42 42 17922 1 . ILE 43 43 17922 1 . THR 44 44 17922 1 . SER 45 45 17922 1 . SER 46 46 17922 1 . ASN 47 47 17922 1 . THR 48 48 17922 1 . ALA 49 49 17922 1 . ALA 50 50 17922 1 . THR 51 51 17922 1 . ASN 52 52 17922 1 . ALA 53 53 17922 1 . ALA 54 54 17922 1 . CYS 55 55 17922 1 . ALA 56 56 17922 1 . TRP 57 57 17922 1 . LEU 58 58 17922 1 . GLU 59 59 17922 1 . ALA 60 60 17922 1 . GLN 61 61 17922 1 . GLU 62 62 17922 1 . GLU 63 63 17922 1 . GLU 64 64 17922 1 . GLU 65 65 17922 1 . VAL 66 66 17922 1 . GLY 67 67 17922 1 . PHE 68 68 17922 1 . PRO 69 69 17922 1 . VAL 70 70 17922 1 . ARG 71 71 17922 1 . PRO 72 72 17922 1 . GLN 73 73 17922 1 . VAL 74 74 17922 1 . PRO 75 75 17922 1 . LEU 76 76 17922 1 . ARG 77 77 17922 1 . PRO 78 78 17922 1 . MET 79 79 17922 1 . THR 80 80 17922 1 . TYR 81 81 17922 1 . LYS 82 82 17922 1 . ALA 83 83 17922 1 . ALA 84 84 17922 1 . VAL 85 85 17922 1 . ASP 86 86 17922 1 . LEU 87 87 17922 1 . SER 88 88 17922 1 . HIS 89 89 17922 1 . PHE 90 90 17922 1 . LEU 91 91 17922 1 . LYS 92 92 17922 1 . GLU 93 93 17922 1 . LYS 94 94 17922 1 . GLY 95 95 17922 1 . GLY 96 96 17922 1 . LEU 97 97 17922 1 . GLU 98 98 17922 1 . GLY 99 99 17922 1 . LEU 100 100 17922 1 . ILE 101 101 17922 1 . TYR 102 102 17922 1 . SER 103 103 17922 1 . GLN 104 104 17922 1 . LYS 105 105 17922 1 . ARG 106 106 17922 1 . GLN 107 107 17922 1 . ASP 108 108 17922 1 . ILE 109 109 17922 1 . LEU 110 110 17922 1 . ASP 111 111 17922 1 . LEU 112 112 17922 1 . TRP 113 113 17922 1 . VAL 114 114 17922 1 . TYR 115 115 17922 1 . HIS 116 116 17922 1 . THR 117 117 17922 1 . GLN 118 118 17922 1 . GLY 119 119 17922 1 . TYR 120 120 17922 1 . PHE 121 121 17922 1 . PRO 122 122 17922 1 . ASP 123 123 17922 1 . TRP 124 124 17922 1 . GLN 125 125 17922 1 . ASN 126 126 17922 1 . TYR 127 127 17922 1 . THR 128 128 17922 1 . PRO 129 129 17922 1 . GLY 130 130 17922 1 . PRO 131 131 17922 1 . GLY 132 132 17922 1 . ILE 133 133 17922 1 . ARG 134 134 17922 1 . TYR 135 135 17922 1 . PRO 136 136 17922 1 . LEU 137 137 17922 1 . THR 138 138 17922 1 . PHE 139 139 17922 1 . GLY 140 140 17922 1 . TRP 141 141 17922 1 . CYS 142 142 17922 1 . PHE 143 143 17922 1 . LYS 144 144 17922 1 . LEU 145 145 17922 1 . VAL 146 146 17922 1 . PRO 147 147 17922 1 . VAL 148 148 17922 1 . GLU 149 149 17922 1 . PRO 150 150 17922 1 . GLU 151 151 17922 1 . LYS 152 152 17922 1 . VAL 153 153 17922 1 . GLU 154 154 17922 1 . GLU 155 155 17922 1 . ALA 156 156 17922 1 . ASN 157 157 17922 1 . GLU 158 158 17922 1 . GLY 159 159 17922 1 . GLU 160 160 17922 1 . ASN 161 161 17922 1 . ASN 162 162 17922 1 . CYS 163 163 17922 1 . LEU 164 164 17922 1 . LEU 165 165 17922 1 . HIS 166 166 17922 1 . PRO 167 167 17922 1 . MET 168 168 17922 1 . SER 169 169 17922 1 . GLN 170 170 17922 1 . HIS 171 171 17922 1 . GLY 172 172 17922 1 . MET 173 173 17922 1 . ASP 174 174 17922 1 . ASP 175 175 17922 1 . PRO 176 176 17922 1 . GLU 177 177 17922 1 . LYS 178 178 17922 1 . GLU 179 179 17922 1 . VAL 180 180 17922 1 . LEU 181 181 17922 1 . VAL 182 182 17922 1 . TRP 183 183 17922 1 . LYS 184 184 17922 1 . PHE 185 185 17922 1 . ASP 186 186 17922 1 . SER 187 187 17922 1 . LYS 188 188 17922 1 . LEU 189 189 17922 1 . ALA 190 190 17922 1 . PHE 191 191 17922 1 . HIS 192 192 17922 1 . HIS 193 193 17922 1 . MET 194 194 17922 1 . ALA 195 195 17922 1 . ARG 196 196 17922 1 . GLU 197 197 17922 1 . LEU 198 198 17922 1 . HIS 199 199 17922 1 . PRO 200 200 17922 1 . GLU 201 201 17922 1 . TYR 202 202 17922 1 . TYR 203 203 17922 1 . LYS 204 204 17922 1 . ASP 205 205 17922 1 . CYS 206 206 17922 1 . ALA 207 207 17922 1 . ALA 208 208 17922 1 . ALA 209 209 17922 1 . LEU 210 210 17922 1 . GLU 211 211 17922 1 . HIS 212 212 17922 1 . HIS 213 213 17922 1 . HIS 214 214 17922 1 . HIS 215 215 17922 1 . HIS 216 216 17922 1 . HIS 217 217 17922 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 17922 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Nef . 11676 organism . HIV-1 HIV-1 . . Viruses . Lentivirus HIV-1 . . . . . . . . . . . . . . . . . . . . . 17922 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 17922 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Nef . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 Rosetta2(DE3) . . . . . . . . . . . . . . pET21 . . . . . . 17922 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17922 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 Nef '[U-13C; U-15N; U-2H]' . . 1 $Nef . . 0.1 . . mM . . . . 17922 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17922 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17922 1 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 17922 1 5 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 17922 1 6 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17922 1 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . w/v . . . . 17922 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 17922 _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' 0.1 . M 17922 1 pH 8.0 . pH 17922 1 pressure 1 . atm 17922 1 temperature 300 . K 17922 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17922 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17922 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17922 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17922 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17922 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17922 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17922 _Software.ID 3 _Software.Name CARA _Software.Version 1.8.4 _Software.Details ; CARA is the application for the analysis of NMR spectra and computer aided resonance assignment developed at and used by the group of Prof. Dr. Kurt W thrich, Institute of Molecular Biology and Biophysics, ETH Z rich. ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Rochus Keller' . http://www.nmr.ch 17922 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17922 3 'data analysis' 17922 3 'peak picking' 17922 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17922 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17922 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17922 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17922 _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 . 700 . . . 17922 1 2 spectrometer_2 Bruker Avance . 800 . . . 17922 1 3 spectrometer_3 Bruker Avance . 900 . . . 17922 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 17922 _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 . . . . . . . . . . . . . . . . 17922 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17922 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17922 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17922 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17922 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17922 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17922 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17922 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17922 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17922 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 17922 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.251449530 'separate tube (no insert) not similar to the experimental sample tube' cylindrical parallel . . . . . . 17922 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.000000000 'separate tube (no insert) not similar to the experimental sample tube' cylindrical parallel . . . . . . 17922 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.101329118 'separate tube (no insert) not similar to the experimental sample tube' cylindrical parallel . . . . . . 17922 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 17922 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.5 _Assigned_chem_shift_list.Chem_shift_15N_err 0.4 _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 'Digital resolution of spectra' _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' . . . 17922 1 2 '3D HNCACB' . . . 17922 1 3 '3D HNCA' . . . 17922 1 4 '3D CBCA(CO)NH' . . . 17922 1 5 '3D HNCO' . . . 17922 1 6 '3D HN(CO)CA' . . . 17922 1 7 '3D HN(CA)CO' . . . 17922 1 8 '3D 1H-15N NOESY' . . . 17922 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID '2H isotope effect' 'all 13C' . . . 17922 1 'TROSY offset' 'amide protons' . 0.066 0.0027 17922 1 'TROSY offset' 'amide nitrogens' . -0.65 0.0262 17922 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 PRO C C 13 178.4 0.3 . 1 . . . . 14 PRO C . 17922 1 2 . 1 1 14 14 PRO CA C 13 66.1 0.3 . 1 . . . . 14 PRO CA . 17922 1 3 . 1 1 14 14 PRO CB C 13 29.5 0.3 . 1 . . . . 14 PRO CB . 17922 1 4 . 1 1 15 15 ALA H H 1 7.31 0.02 . 1 . . . . 15 ALA H . 17922 1 5 . 1 1 15 15 ALA C C 13 180.3 0.3 . 1 . . . . 15 ALA C . 17922 1 6 . 1 1 15 15 ALA CA C 13 53.9 0.3 . 1 . . . . 15 ALA CA . 17922 1 7 . 1 1 15 15 ALA CB C 13 17.5 0.3 . 1 . . . . 15 ALA CB . 17922 1 8 . 1 1 15 15 ALA N N 15 117.8 0.3 . 1 . . . . 15 ALA N . 17922 1 9 . 1 1 16 16 VAL H H 1 7.36 0.02 . 1 . . . . 16 VAL H . 17922 1 10 . 1 1 16 16 VAL C C 13 177.3 0.3 . 1 . . . . 16 VAL C . 17922 1 11 . 1 1 16 16 VAL CA C 13 65.6 0.3 . 1 . . . . 16 VAL CA . 17922 1 12 . 1 1 16 16 VAL CB C 13 30.2 0.3 . 1 . . . . 16 VAL CB . 17922 1 13 . 1 1 16 16 VAL N N 15 122.4 0.3 . 1 . . . . 16 VAL N . 17922 1 14 . 1 1 17 17 ARG H H 1 8.11 0.02 . 1 . . . . 17 ARG H . 17922 1 15 . 1 1 17 17 ARG C C 13 178.7 0.3 . 1 . . . . 17 ARG C . 17922 1 16 . 1 1 17 17 ARG CA C 13 58.0 0.3 . 1 . . . . 17 ARG CA . 17922 1 17 . 1 1 17 17 ARG CB C 13 26.7 0.3 . 1 . . . . 17 ARG CB . 17922 1 18 . 1 1 17 17 ARG N N 15 120.4 0.3 . 1 . . . . 17 ARG N . 17922 1 19 . 1 1 18 18 GLU H H 1 7.04 0.02 . 1 . . . . 18 GLU H . 17922 1 20 . 1 1 18 18 GLU C C 13 178.1 0.3 . 1 . . . . 18 GLU C . 17922 1 21 . 1 1 18 18 GLU CA C 13 57.8 0.3 . 1 . . . . 18 GLU CA . 17922 1 22 . 1 1 18 18 GLU CB C 13 27.7 0.3 . 1 . . . . 18 GLU CB . 17922 1 23 . 1 1 18 18 GLU N N 15 118.9 0.3 . 1 . . . . 18 GLU N . 17922 1 24 . 1 1 19 19 ARG H H 1 7.57 0.02 . 1 . . . . 19 ARG H . 17922 1 25 . 1 1 19 19 ARG C C 13 180.0 0.3 . 1 . . . . 19 ARG C . 17922 1 26 . 1 1 19 19 ARG CA C 13 59.1 0.3 . 1 . . . . 19 ARG CA . 17922 1 27 . 1 1 19 19 ARG CB C 13 28.7 0.3 . 1 . . . . 19 ARG CB . 17922 1 28 . 1 1 19 19 ARG N N 15 119.9 0.3 . 1 . . . . 19 ARG N . 17922 1 29 . 1 1 20 20 MET H H 1 8.60 0.02 . 1 . . . . 20 MET H . 17922 1 30 . 1 1 20 20 MET CA C 13 59.4 0.3 . 1 . . . . 20 MET CA . 17922 1 31 . 1 1 20 20 MET CB C 13 33.0 0.3 . 1 . . . . 20 MET CB . 17922 1 32 . 1 1 20 20 MET N N 15 116.8 0.3 . 1 . . . . 20 MET N . 17922 1 33 . 1 1 21 21 ARG C C 13 178.1 0.3 . 1 . . . . 21 ARG C . 17922 1 34 . 1 1 21 21 ARG CA C 13 58.9 0.3 . 1 . . . . 21 ARG CA . 17922 1 35 . 1 1 21 21 ARG CB C 13 28.7 0.3 . 1 . . . . 21 ARG CB . 17922 1 36 . 1 1 22 22 ARG H H 1 7.73 0.02 . 1 . . . . 22 ARG H . 17922 1 37 . 1 1 22 22 ARG C C 13 176.2 0.3 . 1 . . . . 22 ARG C . 17922 1 38 . 1 1 22 22 ARG CA C 13 56.5 0.3 . 1 . . . . 22 ARG CA . 17922 1 39 . 1 1 22 22 ARG CB C 13 29.3 0.3 . 1 . . . . 22 ARG CB . 17922 1 40 . 1 1 22 22 ARG N N 15 115.3 0.3 . 1 . . . . 22 ARG N . 17922 1 41 . 1 1 23 23 ALA H H 1 7.35 0.02 . 1 . . . . 23 ALA H . 17922 1 42 . 1 1 23 23 ALA C C 13 176.3 0.3 . 1 . . . . 23 ALA C . 17922 1 43 . 1 1 23 23 ALA CA C 13 51.4 0.3 . 1 . . . . 23 ALA CA . 17922 1 44 . 1 1 23 23 ALA CB C 13 16.2 0.3 . 1 . . . . 23 ALA CB . 17922 1 45 . 1 1 23 23 ALA N N 15 123.6 0.3 . 1 . . . . 23 ALA N . 17922 1 46 . 1 1 24 24 GLU H H 1 7.84 0.02 . 1 . . . . 24 GLU H . 17922 1 47 . 1 1 24 24 GLU C C 13 175.1 0.3 . 1 . . . . 24 GLU C . 17922 1 48 . 1 1 24 24 GLU CA C 13 53.5 0.3 . 1 . . . . 24 GLU CA . 17922 1 49 . 1 1 24 24 GLU CB C 13 29.2 0.3 . 1 . . . . 24 GLU CB . 17922 1 50 . 1 1 24 24 GLU N N 15 122.0 0.3 . 1 . . . . 24 GLU N . 17922 1 51 . 1 1 25 25 PRO C C 13 176.6 0.3 . 1 . . . . 25 PRO C . 17922 1 52 . 1 1 25 25 PRO CA C 13 63.0 0.3 . 1 . . . . 25 PRO CA . 17922 1 53 . 1 1 26 26 ALA H H 1 8.35 0.02 . 1 . . . . 26 ALA H . 17922 1 54 . 1 1 26 26 ALA C C 13 177.5 0.3 . 1 . . . . 26 ALA C . 17922 1 55 . 1 1 26 26 ALA CA C 13 51.9 0.3 . 1 . . . . 26 ALA CA . 17922 1 56 . 1 1 26 26 ALA CB C 13 18.5 0.3 . 1 . . . . 26 ALA CB . 17922 1 57 . 1 1 26 26 ALA N N 15 122.8 0.3 . 1 . . . . 26 ALA N . 17922 1 58 . 1 1 27 27 ALA H H 1 8.17 0.02 . 1 . . . . 27 ALA H . 17922 1 59 . 1 1 27 27 ALA C C 13 177.7 0.3 . 1 . . . . 27 ALA C . 17922 1 60 . 1 1 27 27 ALA CA C 13 52.0 0.3 . 1 . . . . 27 ALA CA . 17922 1 61 . 1 1 27 27 ALA CB C 13 18.4 0.3 . 1 . . . . 27 ALA CB . 17922 1 62 . 1 1 27 27 ALA N N 15 122.8 0.3 . 1 . . . . 27 ALA N . 17922 1 63 . 1 1 28 28 GLU H H 1 8.30 0.02 . 1 . . . . 28 GLU H . 17922 1 64 . 1 1 28 28 GLU C C 13 177.0 0.3 . 1 . . . . 28 GLU C . 17922 1 65 . 1 1 28 28 GLU CA C 13 56.2 0.3 . 1 . . . . 28 GLU CA . 17922 1 66 . 1 1 28 28 GLU CB C 13 29.5 0.3 . 1 . . . . 28 GLU CB . 17922 1 67 . 1 1 28 28 GLU N N 15 119.3 0.3 . 1 . . . . 28 GLU N . 17922 1 68 . 1 1 29 29 GLY H H 1 8.36 0.02 . 1 . . . . 29 GLY H . 17922 1 69 . 1 1 29 29 GLY C C 13 174.3 0.3 . 1 . . . . 29 GLY C . 17922 1 70 . 1 1 29 29 GLY CA C 13 44.7 0.3 . 1 . . . . 29 GLY CA . 17922 1 71 . 1 1 29 29 GLY N N 15 109.4 0.3 . 1 . . . . 29 GLY N . 17922 1 72 . 1 1 30 30 VAL H H 1 7.99 0.02 . 1 . . . . 30 VAL H . 17922 1 73 . 1 1 30 30 VAL C C 13 176.9 0.3 . 1 . . . . 30 VAL C . 17922 1 74 . 1 1 30 30 VAL CA C 13 62.1 0.3 . 1 . . . . 30 VAL CA . 17922 1 75 . 1 1 30 30 VAL CB C 13 31.5 0.3 . 1 . . . . 30 VAL CB . 17922 1 76 . 1 1 30 30 VAL N N 15 118.9 0.3 . 1 . . . . 30 VAL N . 17922 1 77 . 1 1 31 31 GLY H H 1 8.49 0.02 . 1 . . . . 31 GLY H . 17922 1 78 . 1 1 31 31 GLY C C 13 173.8 0.3 . 1 . . . . 31 GLY C . 17922 1 79 . 1 1 31 31 GLY CA C 13 44.7 0.3 . 1 . . . . 31 GLY CA . 17922 1 80 . 1 1 31 31 GLY N N 15 111.8 0.3 . 1 . . . . 31 GLY N . 17922 1 81 . 1 1 32 32 ALA H H 1 8.07 0.02 . 1 . . . . 32 ALA H . 17922 1 82 . 1 1 32 32 ALA C C 13 177.8 0.3 . 1 . . . . 32 ALA C . 17922 1 83 . 1 1 32 32 ALA CA C 13 52.0 0.3 . 1 . . . . 32 ALA CA . 17922 1 84 . 1 1 32 32 ALA CB C 13 18.1 0.3 . 1 . . . . 32 ALA CB . 17922 1 85 . 1 1 32 32 ALA N N 15 123.5 0.3 . 1 . . . . 32 ALA N . 17922 1 86 . 1 1 33 33 VAL H H 1 8.08 0.02 . 1 . . . . 33 VAL H . 17922 1 87 . 1 1 33 33 VAL C C 13 176.3 0.3 . 1 . . . . 33 VAL C . 17922 1 88 . 1 1 33 33 VAL CA C 13 61.7 0.3 . 1 . . . . 33 VAL CA . 17922 1 89 . 1 1 33 33 VAL CB C 13 31.6 0.3 . 1 . . . . 33 VAL CB . 17922 1 90 . 1 1 33 33 VAL N N 15 118.6 0.3 . 1 . . . . 33 VAL N . 17922 1 91 . 1 1 35 35 ARG C C 13 175.3 0.3 . 1 . . . . 35 ARG C . 17922 1 92 . 1 1 35 35 ARG CA C 13 55.7 0.3 . 1 . . . . 35 ARG CA . 17922 1 93 . 1 1 35 35 ARG CB C 13 29.5 0.3 . 1 . . . . 35 ARG CB . 17922 1 94 . 1 1 36 36 ASP H H 1 8.08 0.02 . 1 . . . . 36 ASP H . 17922 1 95 . 1 1 36 36 ASP C C 13 179.2 0.3 . 1 . . . . 36 ASP C . 17922 1 96 . 1 1 36 36 ASP CA C 13 54.5 0.3 . 1 . . . . 36 ASP CA . 17922 1 97 . 1 1 36 36 ASP CB C 13 40.2 0.3 . 1 . . . . 36 ASP CB . 17922 1 98 . 1 1 36 36 ASP N N 15 124.6 0.3 . 1 . . . . 36 ASP N . 17922 1 99 . 1 1 37 37 LEU H H 1 8.11 0.02 . 1 . . . . 37 LEU H . 17922 1 100 . 1 1 37 37 LEU C C 13 177.9 0.3 . 1 . . . . 37 LEU C . 17922 1 101 . 1 1 37 37 LEU CA C 13 55.3 0.3 . 1 . . . . 37 LEU CA . 17922 1 102 . 1 1 37 37 LEU CB C 13 40.7 0.3 . 1 . . . . 37 LEU CB . 17922 1 103 . 1 1 37 37 LEU N N 15 121.6 0.3 . 1 . . . . 37 LEU N . 17922 1 104 . 1 1 38 38 GLU H H 1 8.23 0.02 . 1 . . . . 38 GLU H . 17922 1 105 . 1 1 38 38 GLU C C 13 176.9 0.3 . 1 . . . . 38 GLU C . 17922 1 106 . 1 1 38 38 GLU CA C 13 56.5 0.3 . 1 . . . . 38 GLU CA . 17922 1 107 . 1 1 38 38 GLU CB C 13 29.0 0.3 . 1 . . . . 38 GLU CB . 17922 1 108 . 1 1 38 38 GLU N N 15 120.1 0.3 . 1 . . . . 38 GLU N . 17922 1 109 . 1 1 39 39 LYS H H 1 8.06 0.02 . 1 . . . . 39 LYS H . 17922 1 110 . 1 1 39 39 LYS C C 13 176.6 0.3 . 1 . . . . 39 LYS C . 17922 1 111 . 1 1 39 39 LYS CA C 13 56.2 0.3 . 1 . . . . 39 LYS CA . 17922 1 112 . 1 1 39 39 LYS CB C 13 31.6 0.3 . 1 . . . . 39 LYS CB . 17922 1 113 . 1 1 39 39 LYS N N 15 120.6 0.3 . 1 . . . . 39 LYS N . 17922 1 114 . 1 1 42 42 ALA C C 13 177.7 0.3 . 1 . . . . 42 ALA C . 17922 1 115 . 1 1 42 42 ALA CA C 13 51.9 0.3 . 1 . . . . 42 ALA CA . 17922 1 116 . 1 1 42 42 ALA CB C 13 18.4 0.3 . 1 . . . . 42 ALA CB . 17922 1 117 . 1 1 43 43 ILE H H 1 8.15 0.02 . 1 . . . . 43 ILE H . 17922 1 118 . 1 1 43 43 ILE C C 13 176.7 0.3 . 1 . . . . 43 ILE C . 17922 1 119 . 1 1 43 43 ILE CA C 13 60.7 0.3 . 1 . . . . 43 ILE CA . 17922 1 120 . 1 1 43 43 ILE CB C 13 37.2 0.3 . 1 . . . . 43 ILE CB . 17922 1 121 . 1 1 43 43 ILE N N 15 119.6 0.3 . 1 . . . . 43 ILE N . 17922 1 122 . 1 1 51 51 THR C C 13 173.4 0.3 . 1 . . . . 51 THR C . 17922 1 123 . 1 1 51 51 THR CA C 13 60.9 0.3 . 1 . . . . 51 THR CA . 17922 1 124 . 1 1 51 51 THR CB C 13 69.2 0.3 . 1 . . . . 51 THR CB . 17922 1 125 . 1 1 52 52 ASN H H 1 8.00 0.02 . 1 . . . . 52 ASN H . 17922 1 126 . 1 1 52 52 ASN C C 13 179.2 0.3 . 1 . . . . 52 ASN C . 17922 1 127 . 1 1 52 52 ASN CA C 13 54.5 0.3 . 1 . . . . 52 ASN CA . 17922 1 128 . 1 1 52 52 ASN CB C 13 40.1 0.3 . 1 . . . . 52 ASN CB . 17922 1 129 . 1 1 52 52 ASN N N 15 125.5 0.3 . 1 . . . . 52 ASN N . 17922 1 130 . 1 1 53 53 ALA C C 13 177.1 0.3 . 1 . . . . 53 ALA C . 17922 1 131 . 1 1 53 53 ALA CA C 13 52.6 0.3 . 1 . . . . 53 ALA CA . 17922 1 132 . 1 1 54 54 ALA H H 1 7.92 0.02 . 1 . . . . 54 ALA H . 17922 1 133 . 1 1 54 54 ALA C C 13 177.7 0.3 . 1 . . . . 54 ALA C . 17922 1 134 . 1 1 54 54 ALA CA C 13 51.8 0.3 . 1 . . . . 54 ALA CA . 17922 1 135 . 1 1 54 54 ALA CB C 13 18.4 0.3 . 1 . . . . 54 ALA CB . 17922 1 136 . 1 1 54 54 ALA N N 15 122.2 0.3 . 1 . . . . 54 ALA N . 17922 1 137 . 1 1 55 55 CYS H H 1 8.60 0.02 . 1 . . . . 55 CYS H . 17922 1 138 . 1 1 55 55 CYS C C 13 175.5 0.3 . 1 . . . . 55 CYS C . 17922 1 139 . 1 1 55 55 CYS CA C 13 56.6 0.3 . 1 . . . . 55 CYS CA . 17922 1 140 . 1 1 55 55 CYS CB C 13 29.4 0.3 . 1 . . . . 55 CYS CB . 17922 1 141 . 1 1 55 55 CYS N N 15 120.0 0.3 . 1 . . . . 55 CYS N . 17922 1 142 . 1 1 56 56 ALA H H 1 8.06 0.02 . 1 . . . . 56 ALA H . 17922 1 143 . 1 1 56 56 ALA C C 13 177.7 0.3 . 1 . . . . 56 ALA C . 17922 1 144 . 1 1 56 56 ALA CA C 13 52.8 0.3 . 1 . . . . 56 ALA CA . 17922 1 145 . 1 1 56 56 ALA CB C 13 18.1 0.3 . 1 . . . . 56 ALA CB . 17922 1 146 . 1 1 56 56 ALA N N 15 122.8 0.3 . 1 . . . . 56 ALA N . 17922 1 147 . 1 1 57 57 TRP H H 1 7.88 0.02 . 1 . . . . 57 TRP H . 17922 1 148 . 1 1 57 57 TRP C C 13 176.3 0.3 . 1 . . . . 57 TRP C . 17922 1 149 . 1 1 57 57 TRP CA C 13 57.1 0.3 . 1 . . . . 57 TRP CA . 17922 1 150 . 1 1 57 57 TRP CB C 13 28.0 0.3 . 1 . . . . 57 TRP CB . 17922 1 151 . 1 1 57 57 TRP N N 15 118.4 0.3 . 1 . . . . 57 TRP N . 17922 1 152 . 1 1 58 58 LEU H H 1 7.70 0.02 . 1 . . . . 58 LEU H . 17922 1 153 . 1 1 58 58 LEU C C 13 177.4 0.3 . 1 . . . . 58 LEU C . 17922 1 154 . 1 1 58 58 LEU CA C 13 55.0 0.3 . 1 . . . . 58 LEU CA . 17922 1 155 . 1 1 58 58 LEU CB C 13 41.2 0.3 . 1 . . . . 58 LEU CB . 17922 1 156 . 1 1 58 58 LEU N N 15 122.4 0.3 . 1 . . . . 58 LEU N . 17922 1 157 . 1 1 59 59 GLU H H 1 8.05 0.02 . 1 . . . . 59 GLU H . 17922 1 158 . 1 1 59 59 GLU C C 13 176.4 0.3 . 1 . . . . 59 GLU C . 17922 1 159 . 1 1 59 59 GLU CA C 13 56.3 0.3 . 1 . . . . 59 GLU CA . 17922 1 160 . 1 1 59 59 GLU CB C 13 29.0 0.3 . 1 . . . . 59 GLU CB . 17922 1 161 . 1 1 59 59 GLU N N 15 120.2 0.3 . 1 . . . . 59 GLU N . 17922 1 162 . 1 1 60 60 ALA H H 1 8.06 0.02 . 1 . . . . 60 ALA H . 17922 1 163 . 1 1 60 60 ALA C C 13 177.7 0.3 . 1 . . . . 60 ALA C . 17922 1 164 . 1 1 60 60 ALA CA C 13 52.0 0.3 . 1 . . . . 60 ALA CA . 17922 1 165 . 1 1 60 60 ALA CB C 13 18.0 0.3 . 1 . . . . 60 ALA CB . 17922 1 166 . 1 1 60 60 ALA N N 15 123.4 0.3 . 1 . . . . 60 ALA N . 17922 1 167 . 1 1 61 61 GLN H H 1 8.17 0.02 . 1 . . . . 61 GLN H . 17922 1 168 . 1 1 61 61 GLN C C 13 176.1 0.3 . 1 . . . . 61 GLN C . 17922 1 169 . 1 1 61 61 GLN CA C 13 55.3 0.3 . 1 . . . . 61 GLN CA . 17922 1 170 . 1 1 61 61 GLN CB C 13 28.4 0.3 . 1 . . . . 61 GLN CB . 17922 1 171 . 1 1 61 61 GLN N N 15 118.9 0.3 . 1 . . . . 61 GLN N . 17922 1 172 . 1 1 62 62 GLU H H 1 8.34 0.02 . 1 . . . . 62 GLU H . 17922 1 173 . 1 1 62 62 GLU C C 13 176.1 0.3 . 1 . . . . 62 GLU C . 17922 1 174 . 1 1 62 62 GLU CA C 13 56.1 0.3 . 1 . . . . 62 GLU CA . 17922 1 175 . 1 1 62 62 GLU CB C 13 29.2 0.3 . 1 . . . . 62 GLU CB . 17922 1 176 . 1 1 62 62 GLU N N 15 121.4 0.3 . 1 . . . . 62 GLU N . 17922 1 177 . 1 1 63 63 GLU H H 1 8.34 0.02 . 1 . . . . 63 GLU H . 17922 1 178 . 1 1 63 63 GLU C C 13 176.6 0.3 . 1 . . . . 63 GLU C . 17922 1 179 . 1 1 63 63 GLU CA C 13 56.4 0.3 . 1 . . . . 63 GLU CA . 17922 1 180 . 1 1 63 63 GLU CB C 13 29.5 0.3 . 1 . . . . 63 GLU CB . 17922 1 181 . 1 1 63 63 GLU N N 15 121.3 0.3 . 1 . . . . 63 GLU N . 17922 1 182 . 1 1 64 64 GLU H H 1 8.31 0.02 . 1 . . . . 64 GLU H . 17922 1 183 . 1 1 64 64 GLU C C 13 176.6 0.3 . 1 . . . . 64 GLU C . 17922 1 184 . 1 1 64 64 GLU CA C 13 56.5 0.3 . 1 . . . . 64 GLU CA . 17922 1 185 . 1 1 64 64 GLU CB C 13 29.3 0.3 . 1 . . . . 64 GLU CB . 17922 1 186 . 1 1 64 64 GLU N N 15 121.3 0.3 . 1 . . . . 64 GLU N . 17922 1 187 . 1 1 65 65 GLU H H 1 8.36 0.02 . 1 . . . . 65 GLU H . 17922 1 188 . 1 1 65 65 GLU C C 13 176.6 0.3 . 1 . . . . 65 GLU C . 17922 1 189 . 1 1 65 65 GLU CA C 13 56.3 0.3 . 1 . . . . 65 GLU CA . 17922 1 190 . 1 1 65 65 GLU CB C 13 29.4 0.3 . 1 . . . . 65 GLU CB . 17922 1 191 . 1 1 65 65 GLU N N 15 121.1 0.3 . 1 . . . . 65 GLU N . 17922 1 192 . 1 1 66 66 VAL H H 1 8.09 0.02 . 1 . . . . 66 VAL H . 17922 1 193 . 1 1 66 66 VAL C C 13 176.4 0.3 . 1 . . . . 66 VAL C . 17922 1 194 . 1 1 66 66 VAL CA C 13 62.1 0.3 . 1 . . . . 66 VAL CA . 17922 1 195 . 1 1 66 66 VAL CB C 13 31.6 0.3 . 1 . . . . 66 VAL CB . 17922 1 196 . 1 1 66 66 VAL N N 15 120.3 0.3 . 1 . . . . 66 VAL N . 17922 1 197 . 1 1 67 67 GLY H H 1 8.28 0.02 . 1 . . . . 67 GLY H . 17922 1 198 . 1 1 67 67 GLY C C 13 173.2 0.3 . 1 . . . . 67 GLY C . 17922 1 199 . 1 1 67 67 GLY CA C 13 44.4 0.3 . 1 . . . . 67 GLY CA . 17922 1 200 . 1 1 67 67 GLY N N 15 110.4 0.3 . 1 . . . . 67 GLY N . 17922 1 201 . 1 1 68 68 PHE H H 1 7.91 0.02 . 1 . . . . 68 PHE H . 17922 1 202 . 1 1 68 68 PHE C C 13 174.1 0.3 . 1 . . . . 68 PHE C . 17922 1 203 . 1 1 68 68 PHE CA C 13 55.2 0.3 . 1 . . . . 68 PHE CA . 17922 1 204 . 1 1 68 68 PHE CB C 13 38.1 0.3 . 1 . . . . 68 PHE CB . 17922 1 205 . 1 1 68 68 PHE N N 15 119.9 0.3 . 1 . . . . 68 PHE N . 17922 1 206 . 1 1 69 69 PRO C C 13 176.5 0.3 . 1 . . . . 69 PRO C . 17922 1 207 . 1 1 69 69 PRO CA C 13 62.2 0.3 . 1 . . . . 69 PRO CA . 17922 1 208 . 1 1 69 69 PRO CB C 13 31.1 0.3 . 1 . . . . 69 PRO CB . 17922 1 209 . 1 1 70 70 VAL H H 1 8.18 0.02 . 1 . . . . 70 VAL H . 17922 1 210 . 1 1 70 70 VAL C C 13 175.8 0.3 . 1 . . . . 70 VAL C . 17922 1 211 . 1 1 70 70 VAL CA C 13 55.3 0.3 . 1 . . . . 70 VAL CA . 17922 1 212 . 1 1 70 70 VAL CB C 13 30.9 0.3 . 1 . . . . 70 VAL CB . 17922 1 213 . 1 1 70 70 VAL N N 15 118.7 0.3 . 1 . . . . 70 VAL N . 17922 1 214 . 1 1 72 72 PRO C C 13 177.2 0.3 . 1 . . . . 72 PRO C . 17922 1 215 . 1 1 72 72 PRO CA C 13 63.1 0.3 . 1 . . . . 72 PRO CA . 17922 1 216 . 1 1 72 72 PRO CB C 13 31.0 0.3 . 1 . . . . 72 PRO CB . 17922 1 217 . 1 1 73 73 GLN H H 1 8.76 0.02 . 1 . . . . 73 GLN H . 17922 1 218 . 1 1 73 73 GLN C C 13 176.6 0.3 . 1 . . . . 73 GLN C . 17922 1 219 . 1 1 73 73 GLN CA C 13 55.2 0.3 . 1 . . . . 73 GLN CA . 17922 1 220 . 1 1 73 73 GLN CB C 13 31.8 0.3 . 1 . . . . 73 GLN CB . 17922 1 221 . 1 1 73 73 GLN N N 15 119.7 0.3 . 1 . . . . 73 GLN N . 17922 1 222 . 1 1 74 74 VAL H H 1 7.37 0.02 . 1 . . . . 74 VAL H . 17922 1 223 . 1 1 74 74 VAL C C 13 173.2 0.3 . 1 . . . . 74 VAL C . 17922 1 224 . 1 1 74 74 VAL CA C 13 58.0 0.3 . 1 . . . . 74 VAL CA . 17922 1 225 . 1 1 74 74 VAL CB C 13 31.4 0.3 . 1 . . . . 74 VAL CB . 17922 1 226 . 1 1 74 74 VAL N N 15 116.6 0.3 . 1 . . . . 74 VAL N . 17922 1 227 . 1 1 75 75 PRO C C 13 175.5 0.3 . 1 . . . . 75 PRO C . 17922 1 228 . 1 1 75 75 PRO CA C 13 62.4 0.3 . 1 . . . . 75 PRO CA . 17922 1 229 . 1 1 75 75 PRO CB C 13 30.9 0.3 . 1 . . . . 75 PRO CB . 17922 1 230 . 1 1 76 76 LEU H H 1 7.90 0.02 . 1 . . . . 76 LEU H . 17922 1 231 . 1 1 76 76 LEU C C 13 177.7 0.3 . 1 . . . . 76 LEU C . 17922 1 232 . 1 1 76 76 LEU CA C 13 54.0 0.3 . 1 . . . . 76 LEU CA . 17922 1 233 . 1 1 76 76 LEU CB C 13 41.2 0.3 . 1 . . . . 76 LEU CB . 17922 1 234 . 1 1 76 76 LEU N N 15 121.4 0.3 . 1 . . . . 76 LEU N . 17922 1 235 . 1 1 78 78 PRO C C 13 177.2 0.3 . 1 . . . . 78 PRO C . 17922 1 236 . 1 1 78 78 PRO CA C 13 61.3 0.3 . 1 . . . . 78 PRO CA . 17922 1 237 . 1 1 78 78 PRO CB C 13 31.0 0.3 . 1 . . . . 78 PRO CB . 17922 1 238 . 1 1 79 79 MET H H 1 9.34 0.02 . 1 . . . . 79 MET H . 17922 1 239 . 1 1 79 79 MET C C 13 175.6 0.3 . 1 . . . . 79 MET C . 17922 1 240 . 1 1 79 79 MET CA C 13 55.0 0.3 . 1 . . . . 79 MET CA . 17922 1 241 . 1 1 79 79 MET CB C 13 29.5 0.3 . 1 . . . . 79 MET CB . 17922 1 242 . 1 1 79 79 MET N N 15 121.2 0.3 . 1 . . . . 79 MET N . 17922 1 243 . 1 1 80 80 THR H H 1 6.29 0.02 . 1 . . . . 80 THR H . 17922 1 244 . 1 1 80 80 THR HG21 H 1 1.22 0.02 . 1 . . . . 80 THR HG2 . 17922 1 245 . 1 1 80 80 THR HG22 H 1 1.22 0.02 . 1 . . . . 80 THR HG2 . 17922 1 246 . 1 1 80 80 THR HG23 H 1 1.22 0.02 . 1 . . . . 80 THR HG2 . 17922 1 247 . 1 1 80 80 THR C C 13 173.3 0.3 . 1 . . . . 80 THR C . 17922 1 248 . 1 1 80 80 THR CA C 13 58.5 0.3 . 1 . . . . 80 THR CA . 17922 1 249 . 1 1 80 80 THR CB C 13 71.9 0.3 . 1 . . . . 80 THR CB . 17922 1 250 . 1 1 80 80 THR N N 15 115.2 0.3 . 1 . . . . 80 THR N . 17922 1 251 . 1 1 81 81 TYR H H 1 8.57 0.02 . 1 . . . . 81 TYR H . 17922 1 252 . 1 1 81 81 TYR C C 13 176.2 0.3 . 1 . . . . 81 TYR C . 17922 1 253 . 1 1 81 81 TYR CA C 13 60.8 0.3 . 1 . . . . 81 TYR CA . 17922 1 254 . 1 1 81 81 TYR CB C 13 36.9 0.3 . 1 . . . . 81 TYR CB . 17922 1 255 . 1 1 81 81 TYR N N 15 120.8 0.3 . 1 . . . . 81 TYR N . 17922 1 256 . 1 1 82 82 LYS H H 1 8.37 0.02 . 1 . . . . 82 LYS H . 17922 1 257 . 1 1 82 82 LYS C C 13 178.1 0.3 . 1 . . . . 82 LYS C . 17922 1 258 . 1 1 82 82 LYS CA C 13 58.2 0.3 . 1 . . . . 82 LYS CA . 17922 1 259 . 1 1 82 82 LYS CB C 13 31.3 0.3 . 1 . . . . 82 LYS CB . 17922 1 260 . 1 1 82 82 LYS N N 15 117.1 0.3 . 1 . . . . 82 LYS N . 17922 1 261 . 1 1 83 83 ALA H H 1 7.51 0.02 . 1 . . . . 83 ALA H . 17922 1 262 . 1 1 83 83 ALA C C 13 180.1 0.3 . 1 . . . . 83 ALA C . 17922 1 263 . 1 1 83 83 ALA CA C 13 53.9 0.3 . 1 . . . . 83 ALA CA . 17922 1 264 . 1 1 83 83 ALA CB C 13 17.9 0.3 . 1 . . . . 83 ALA CB . 17922 1 265 . 1 1 83 83 ALA N N 15 119.3 0.3 . 1 . . . . 83 ALA N . 17922 1 266 . 1 1 84 84 ALA H H 1 7.95 0.02 . 1 . . . . 84 ALA H . 17922 1 267 . 1 1 84 84 ALA C C 13 181.1 0.3 . 1 . . . . 84 ALA C . 17922 1 268 . 1 1 84 84 ALA CA C 13 54.9 0.3 . 1 . . . . 84 ALA CA . 17922 1 269 . 1 1 84 84 ALA CB C 13 15.9 0.3 . 1 . . . . 84 ALA CB . 17922 1 270 . 1 1 84 84 ALA N N 15 122.4 0.3 . 1 . . . . 84 ALA N . 17922 1 271 . 1 1 85 85 VAL H H 1 8.35 0.02 . 1 . . . . 85 VAL H . 17922 1 272 . 1 1 85 85 VAL C C 13 178.9 0.3 . 1 . . . . 85 VAL C . 17922 1 273 . 1 1 85 85 VAL CA C 13 66.2 0.3 . 1 . . . . 85 VAL CA . 17922 1 274 . 1 1 85 85 VAL CB C 13 30.6 0.3 . 1 . . . . 85 VAL CB . 17922 1 275 . 1 1 85 85 VAL N N 15 125.9 0.3 . 1 . . . . 85 VAL N . 17922 1 276 . 1 1 86 86 ASP H H 1 8.29 0.02 . 1 . . . . 86 ASP H . 17922 1 277 . 1 1 86 86 ASP C C 13 179.8 0.3 . 1 . . . . 86 ASP C . 17922 1 278 . 1 1 86 86 ASP CA C 13 57.2 0.3 . 1 . . . . 86 ASP CA . 17922 1 279 . 1 1 86 86 ASP CB C 13 39.0 0.3 . 1 . . . . 86 ASP CB . 17922 1 280 . 1 1 86 86 ASP N N 15 121.6 0.3 . 1 . . . . 86 ASP N . 17922 1 281 . 1 1 87 87 LEU H H 1 8.52 0.02 . 1 . . . . 87 LEU H . 17922 1 282 . 1 1 87 87 LEU C C 13 178.7 0.3 . 1 . . . . 87 LEU C . 17922 1 283 . 1 1 87 87 LEU CA C 13 57.4 0.3 . 1 . . . . 87 LEU CA . 17922 1 284 . 1 1 87 87 LEU CB C 13 40.8 0.3 . 1 . . . . 87 LEU CB . 17922 1 285 . 1 1 87 87 LEU N N 15 121.6 0.3 . 1 . . . . 87 LEU N . 17922 1 286 . 1 1 88 88 SER H H 1 8.59 0.02 . 1 . . . . 88 SER H . 17922 1 287 . 1 1 88 88 SER C C 13 175.5 0.3 . 1 . . . . 88 SER C . 17922 1 288 . 1 1 88 88 SER CA C 13 62.5 0.3 . 1 . . . . 88 SER CA . 17922 1 289 . 1 1 88 88 SER N N 15 113.7 0.3 . 1 . . . . 88 SER N . 17922 1 290 . 1 1 89 89 HIS H H 1 8.49 0.02 . 1 . . . . 89 HIS H . 17922 1 291 . 1 1 89 89 HIS C C 13 177.5 0.3 . 1 . . . . 89 HIS C . 17922 1 292 . 1 1 89 89 HIS CA C 13 60.2 0.3 . 1 . . . . 89 HIS CA . 17922 1 293 . 1 1 89 89 HIS CB C 13 28.8 0.3 . 1 . . . . 89 HIS CB . 17922 1 294 . 1 1 89 89 HIS N N 15 119.8 0.3 . 1 . . . . 89 HIS N . 17922 1 295 . 1 1 90 90 PHE H H 1 8.28 0.02 . 1 . . . . 90 PHE H . 17922 1 296 . 1 1 90 90 PHE C C 13 176.4 0.3 . 1 . . . . 90 PHE C . 17922 1 297 . 1 1 90 90 PHE CA C 13 60.7 0.3 . 1 . . . . 90 PHE CA . 17922 1 298 . 1 1 90 90 PHE CB C 13 37.7 0.3 . 1 . . . . 90 PHE CB . 17922 1 299 . 1 1 90 90 PHE N N 15 122.1 0.3 . 1 . . . . 90 PHE N . 17922 1 300 . 1 1 91 91 LEU H H 1 8.33 0.02 . 1 . . . . 91 LEU H . 17922 1 301 . 1 1 91 91 LEU CA C 13 56.6 0.3 . 1 . . . . 91 LEU CA . 17922 1 302 . 1 1 91 91 LEU CB C 13 38.4 0.3 . 1 . . . . 91 LEU CB . 17922 1 303 . 1 1 91 91 LEU N N 15 117.7 0.3 . 1 . . . . 91 LEU N . 17922 1 304 . 1 1 93 93 GLU H H 1 7.98 0.02 . 1 . . . . 93 GLU H . 17922 1 305 . 1 1 93 93 GLU C C 13 178.6 0.3 . 1 . . . . 93 GLU C . 17922 1 306 . 1 1 93 93 GLU CA C 13 58.0 0.3 . 1 . . . . 93 GLU CA . 17922 1 307 . 1 1 93 93 GLU CB C 13 28.5 0.3 . 1 . . . . 93 GLU CB . 17922 1 308 . 1 1 93 93 GLU N N 15 119.0 0.3 . 1 . . . . 93 GLU N . 17922 1 309 . 1 1 94 94 LYS H H 1 8.21 0.02 . 1 . . . . 94 LYS H . 17922 1 310 . 1 1 94 94 LYS CA C 13 55.9 0.3 . 1 . . . . 94 LYS CA . 17922 1 311 . 1 1 94 94 LYS CB C 13 31.0 0.3 . 1 . . . . 94 LYS CB . 17922 1 312 . 1 1 94 94 LYS N N 15 115.5 0.3 . 1 . . . . 94 LYS N . 17922 1 313 . 1 1 97 97 LEU C C 13 175.8 0.3 . 1 . . . . 97 LEU C . 17922 1 314 . 1 1 97 97 LEU CA C 13 54.5 0.3 . 1 . . . . 97 LEU CA . 17922 1 315 . 1 1 97 97 LEU CB C 13 42.7 0.3 . 1 . . . . 97 LEU CB . 17922 1 316 . 1 1 98 98 GLU H H 1 7.93 0.02 . 1 . . . . 98 GLU H . 17922 1 317 . 1 1 98 98 GLU C C 13 178.2 0.3 . 1 . . . . 98 GLU C . 17922 1 318 . 1 1 98 98 GLU CA C 13 57.4 0.3 . 1 . . . . 98 GLU CA . 17922 1 319 . 1 1 98 98 GLU CB C 13 29.0 0.3 . 1 . . . . 98 GLU CB . 17922 1 320 . 1 1 98 98 GLU N N 15 115.9 0.3 . 1 . . . . 98 GLU N . 17922 1 321 . 1 1 99 99 GLY H H 1 9.31 0.02 . 1 . . . . 99 GLY H . 17922 1 322 . 1 1 99 99 GLY C C 13 173.2 0.3 . 1 . . . . 99 GLY C . 17922 1 323 . 1 1 99 99 GLY CA C 13 45.0 0.3 . 1 . . . . 99 GLY CA . 17922 1 324 . 1 1 99 99 GLY N N 15 115.2 0.3 . 1 . . . . 99 GLY N . 17922 1 325 . 1 1 100 100 LEU H H 1 8.30 0.02 . 1 . . . . 100 LEU H . 17922 1 326 . 1 1 100 100 LEU C C 13 176.6 0.3 . 1 . . . . 100 LEU C . 17922 1 327 . 1 1 100 100 LEU CA C 13 54.4 0.3 . 1 . . . . 100 LEU CA . 17922 1 328 . 1 1 100 100 LEU CB C 13 41.8 0.3 . 1 . . . . 100 LEU CB . 17922 1 329 . 1 1 100 100 LEU N N 15 123.5 0.3 . 1 . . . . 100 LEU N . 17922 1 330 . 1 1 101 101 ILE H H 1 7.98 0.02 . 1 . . . . 101 ILE H . 17922 1 331 . 1 1 101 101 ILE C C 13 176.2 0.3 . 1 . . . . 101 ILE C . 17922 1 332 . 1 1 101 101 ILE CA C 13 61.4 0.3 . 1 . . . . 101 ILE CA . 17922 1 333 . 1 1 101 101 ILE CB C 13 36.5 0.3 . 1 . . . . 101 ILE CB . 17922 1 334 . 1 1 101 101 ILE N N 15 124.1 0.3 . 1 . . . . 101 ILE N . 17922 1 335 . 1 1 102 102 TYR H H 1 9.11 0.02 . 1 . . . . 102 TYR H . 17922 1 336 . 1 1 102 102 TYR C C 13 176.2 0.3 . 1 . . . . 102 TYR C . 17922 1 337 . 1 1 102 102 TYR CA C 13 59.0 0.3 . 1 . . . . 102 TYR CA . 17922 1 338 . 1 1 102 102 TYR CB C 13 38.4 0.3 . 1 . . . . 102 TYR CB . 17922 1 339 . 1 1 102 102 TYR N N 15 128.4 0.3 . 1 . . . . 102 TYR N . 17922 1 340 . 1 1 103 103 SER H H 1 5.79 0.02 . 1 . . . . 103 SER H . 17922 1 341 . 1 1 103 103 SER CA C 13 56.2 0.3 . 1 . . . . 103 SER CA . 17922 1 342 . 1 1 103 103 SER CB C 13 65.9 0.3 . 1 . . . . 103 SER CB . 17922 1 343 . 1 1 103 103 SER N N 15 117.9 0.3 . 1 . . . . 103 SER N . 17922 1 344 . 1 1 104 104 GLN C C 13 177.2 0.3 . 1 . . . . 104 GLN C . 17922 1 345 . 1 1 104 104 GLN CA C 13 57.9 0.3 . 1 . . . . 104 GLN CA . 17922 1 346 . 1 1 104 104 GLN CB C 13 27.2 0.3 . 1 . . . . 104 GLN CB . 17922 1 347 . 1 1 105 105 LYS H H 1 8.26 0.02 . 1 . . . . 105 LYS H . 17922 1 348 . 1 1 105 105 LYS C C 13 179.5 0.3 . 1 . . . . 105 LYS C . 17922 1 349 . 1 1 105 105 LYS CA C 13 58.5 0.3 . 1 . . . . 105 LYS CA . 17922 1 350 . 1 1 105 105 LYS CB C 13 30.8 0.3 . 1 . . . . 105 LYS CB . 17922 1 351 . 1 1 105 105 LYS N N 15 117.9 0.3 . 1 . . . . 105 LYS N . 17922 1 352 . 1 1 106 106 ARG H H 1 7.90 0.02 . 1 . . . . 106 ARG H . 17922 1 353 . 1 1 106 106 ARG C C 13 177.7 0.3 . 1 . . . . 106 ARG C . 17922 1 354 . 1 1 106 106 ARG CA C 13 60.4 0.3 . 1 . . . . 106 ARG CA . 17922 1 355 . 1 1 106 106 ARG CB C 13 29.5 0.3 . 1 . . . . 106 ARG CB . 17922 1 356 . 1 1 106 106 ARG N N 15 116.5 0.3 . 1 . . . . 106 ARG N . 17922 1 357 . 1 1 107 107 GLN H H 1 8.44 0.02 . 1 . . . . 107 GLN H . 17922 1 358 . 1 1 107 107 GLN C C 13 177.3 0.3 . 1 . . . . 107 GLN C . 17922 1 359 . 1 1 107 107 GLN CA C 13 59.7 0.3 . 1 . . . . 107 GLN CA . 17922 1 360 . 1 1 107 107 GLN CB C 13 26.7 0.3 . 1 . . . . 107 GLN CB . 17922 1 361 . 1 1 107 107 GLN N N 15 119.7 0.3 . 1 . . . . 107 GLN N . 17922 1 362 . 1 1 108 108 ASP H H 1 8.85 0.02 . 1 . . . . 108 ASP H . 17922 1 363 . 1 1 108 108 ASP C C 13 178.5 0.3 . 1 . . . . 108 ASP C . 17922 1 364 . 1 1 108 108 ASP CA C 13 57.1 0.3 . 1 . . . . 108 ASP CA . 17922 1 365 . 1 1 108 108 ASP CB C 13 39.4 0.3 . 1 . . . . 108 ASP CB . 17922 1 366 . 1 1 108 108 ASP N N 15 118.9 0.3 . 1 . . . . 108 ASP N . 17922 1 367 . 1 1 109 109 ILE H H 1 7.68 0.02 . 1 . . . . 109 ILE H . 17922 1 368 . 1 1 109 109 ILE CA C 13 65.2 0.3 . 1 . . . . 109 ILE CA . 17922 1 369 . 1 1 109 109 ILE CB C 13 37.3 0.3 . 1 . . . . 109 ILE CB . 17922 1 370 . 1 1 109 109 ILE N N 15 119.7 0.3 . 1 . . . . 109 ILE N . 17922 1 371 . 1 1 110 110 LEU H H 1 7.43 0.02 . 1 . . . . 110 LEU H . 17922 1 372 . 1 1 110 110 LEU C C 13 178.3 0.3 . 1 . . . . 110 LEU C . 17922 1 373 . 1 1 110 110 LEU CA C 13 58.5 0.3 . 1 . . . . 110 LEU CA . 17922 1 374 . 1 1 110 110 LEU CB C 13 40.6 0.3 . 1 . . . . 110 LEU CB . 17922 1 375 . 1 1 110 110 LEU N N 15 121.7 0.3 . 1 . . . . 110 LEU N . 17922 1 376 . 1 1 111 111 ASP H H 1 9.17 0.02 . 1 . . . . 111 ASP H . 17922 1 377 . 1 1 111 111 ASP C C 13 180.9 0.3 . 1 . . . . 111 ASP C . 17922 1 378 . 1 1 111 111 ASP CA C 13 57.5 0.3 . 1 . . . . 111 ASP CA . 17922 1 379 . 1 1 111 111 ASP CB C 13 39.6 0.3 . 1 . . . . 111 ASP CB . 17922 1 380 . 1 1 111 111 ASP N N 15 119.6 0.3 . 1 . . . . 111 ASP N . 17922 1 381 . 1 1 112 112 LEU H H 1 8.79 0.02 . 1 . . . . 112 LEU H . 17922 1 382 . 1 1 112 112 LEU C C 13 178.4 0.3 . 1 . . . . 112 LEU C . 17922 1 383 . 1 1 112 112 LEU CA C 13 57.3 0.3 . 1 . . . . 112 LEU CA . 17922 1 384 . 1 1 112 112 LEU CB C 13 40.1 0.3 . 1 . . . . 112 LEU CB . 17922 1 385 . 1 1 112 112 LEU N N 15 122.0 0.3 . 1 . . . . 112 LEU N . 17922 1 386 . 1 1 113 113 TRP H H 1 8.25 0.02 . 1 . . . . 113 TRP H . 17922 1 387 . 1 1 113 113 TRP C C 13 179.9 0.3 . 1 . . . . 113 TRP C . 17922 1 388 . 1 1 113 113 TRP CA C 13 60.9 0.3 . 1 . . . . 113 TRP CA . 17922 1 389 . 1 1 113 113 TRP CB C 13 26.8 0.3 . 1 . . . . 113 TRP CB . 17922 1 390 . 1 1 113 113 TRP N N 15 121.8 0.3 . 1 . . . . 113 TRP N . 17922 1 391 . 1 1 114 114 VAL H H 1 8.75 0.02 . 1 . . . . 114 VAL H . 17922 1 392 . 1 1 114 114 VAL C C 13 178.1 0.3 . 1 . . . . 114 VAL C . 17922 1 393 . 1 1 114 114 VAL CA C 13 66.4 0.3 . 1 . . . . 114 VAL CA . 17922 1 394 . 1 1 114 114 VAL CB C 13 30.6 0.3 . 1 . . . . 114 VAL CB . 17922 1 395 . 1 1 114 114 VAL N N 15 122.0 0.3 . 1 . . . . 114 VAL N . 17922 1 396 . 1 1 115 115 TYR H H 1 8.29 0.02 . 1 . . . . 115 TYR H . 17922 1 397 . 1 1 115 115 TYR C C 13 177.7 0.3 . 1 . . . . 115 TYR C . 17922 1 398 . 1 1 115 115 TYR CA C 13 58.6 0.3 . 1 . . . . 115 TYR CA . 17922 1 399 . 1 1 115 115 TYR CB C 13 37.7 0.3 . 1 . . . . 115 TYR CB . 17922 1 400 . 1 1 115 115 TYR N N 15 122.0 0.3 . 1 . . . . 115 TYR N . 17922 1 401 . 1 1 116 116 HIS H H 1 8.82 0.02 . 1 . . . . 116 HIS H . 17922 1 402 . 1 1 116 116 HIS C C 13 177.0 0.3 . 1 . . . . 116 HIS C . 17922 1 403 . 1 1 116 116 HIS CA C 13 58.4 0.3 . 1 . . . . 116 HIS CA . 17922 1 404 . 1 1 116 116 HIS CB C 13 30.2 0.3 . 1 . . . . 116 HIS CB . 17922 1 405 . 1 1 116 116 HIS N N 15 116.0 0.3 . 1 . . . . 116 HIS N . 17922 1 406 . 1 1 117 117 THR H H 1 8.02 0.02 . 1 . . . . 117 THR H . 17922 1 407 . 1 1 117 117 THR C C 13 175.9 0.3 . 1 . . . . 117 THR C . 17922 1 408 . 1 1 117 117 THR CA C 13 62.8 0.3 . 1 . . . . 117 THR CA . 17922 1 409 . 1 1 117 117 THR CB C 13 69.7 0.3 . 1 . . . . 117 THR CB . 17922 1 410 . 1 1 117 117 THR N N 15 105.5 0.3 . 1 . . . . 117 THR N . 17922 1 411 . 1 1 118 118 GLN H H 1 7.74 0.02 . 1 . . . . 118 GLN H . 17922 1 412 . 1 1 118 118 GLN C C 13 173.0 0.3 . 1 . . . . 118 GLN C . 17922 1 413 . 1 1 118 118 GLN CA C 13 55.2 0.3 . 1 . . . . 118 GLN CA . 17922 1 414 . 1 1 118 118 GLN CB C 13 30.6 0.3 . 1 . . . . 118 GLN CB . 17922 1 415 . 1 1 118 118 GLN N N 15 117.5 0.3 . 1 . . . . 118 GLN N . 17922 1 416 . 1 1 119 119 GLY H H 1 7.50 0.02 . 1 . . . . 119 GLY H . 17922 1 417 . 1 1 119 119 GLY C C 13 172.6 0.3 . 1 . . . . 119 GLY C . 17922 1 418 . 1 1 119 119 GLY CA C 13 45.2 0.3 . 1 . . . . 119 GLY CA . 17922 1 419 . 1 1 119 119 GLY N N 15 108.1 0.3 . 1 . . . . 119 GLY N . 17922 1 420 . 1 1 120 120 TYR H H 1 6.03 0.02 . 1 . . . . 120 TYR H . 17922 1 421 . 1 1 120 120 TYR C C 13 176.3 0.3 . 1 . . . . 120 TYR C . 17922 1 422 . 1 1 120 120 TYR CA C 13 56.1 0.3 . 1 . . . . 120 TYR CA . 17922 1 423 . 1 1 120 120 TYR CB C 13 37.2 0.3 . 1 . . . . 120 TYR CB . 17922 1 424 . 1 1 120 120 TYR N N 15 115.3 0.3 . 1 . . . . 120 TYR N . 17922 1 425 . 1 1 121 121 PHE H H 1 8.27 0.02 . 1 . . . . 121 PHE H . 17922 1 426 . 1 1 121 121 PHE CA C 13 56.3 0.3 . 1 . . . . 121 PHE CA . 17922 1 427 . 1 1 121 121 PHE CB C 13 37.9 0.3 . 1 . . . . 121 PHE CB . 17922 1 428 . 1 1 121 121 PHE N N 15 125.7 0.3 . 1 . . . . 121 PHE N . 17922 1 429 . 1 1 122 122 PRO C C 13 174.8 0.3 . 1 . . . . 122 PRO C . 17922 1 430 . 1 1 122 122 PRO CA C 13 62.9 0.3 . 1 . . . . 122 PRO CA . 17922 1 431 . 1 1 122 122 PRO CB C 13 27.3 0.3 . 1 . . . . 122 PRO CB . 17922 1 432 . 1 1 123 123 ASP H H 1 8.97 0.02 . 1 . . . . 123 ASP H . 17922 1 433 . 1 1 123 123 ASP C C 13 176.3 0.3 . 1 . . . . 123 ASP C . 17922 1 434 . 1 1 123 123 ASP CA C 13 52.2 0.3 . 1 . . . . 123 ASP CA . 17922 1 435 . 1 1 123 123 ASP CB C 13 40.9 0.3 . 1 . . . . 123 ASP CB . 17922 1 436 . 1 1 123 123 ASP N N 15 123.7 0.3 . 1 . . . . 123 ASP N . 17922 1 437 . 1 1 124 124 TRP H H 1 7.25 0.02 . 1 . . . . 124 TRP H . 17922 1 438 . 1 1 124 124 TRP C C 13 177.5 0.3 . 1 . . . . 124 TRP C . 17922 1 439 . 1 1 124 124 TRP CA C 13 54.5 0.3 . 1 . . . . 124 TRP CA . 17922 1 440 . 1 1 124 124 TRP CB C 13 30.2 0.3 . 1 . . . . 124 TRP CB . 17922 1 441 . 1 1 124 124 TRP N N 15 114.8 0.3 . 1 . . . . 124 TRP N . 17922 1 442 . 1 1 125 125 GLN H H 1 8.62 0.02 . 1 . . . . 125 GLN H . 17922 1 443 . 1 1 125 125 GLN C C 13 171.3 0.3 . 1 . . . . 125 GLN C . 17922 1 444 . 1 1 125 125 GLN CA C 13 54.3 0.3 . 1 . . . . 125 GLN CA . 17922 1 445 . 1 1 125 125 GLN CB C 13 23.4 0.3 . 1 . . . . 125 GLN CB . 17922 1 446 . 1 1 125 125 GLN N N 15 133.1 0.3 . 1 . . . . 125 GLN N . 17922 1 447 . 1 1 126 126 ASN H H 1 6.61 0.02 . 1 . . . . 126 ASN H . 17922 1 448 . 1 1 126 126 ASN C C 13 174.9 0.3 . 1 . . . . 126 ASN C . 17922 1 449 . 1 1 126 126 ASN CA C 13 50.9 0.3 . 1 . . . . 126 ASN CA . 17922 1 450 . 1 1 126 126 ASN CB C 13 40.3 0.3 . 1 . . . . 126 ASN CB . 17922 1 451 . 1 1 126 126 ASN N N 15 116.0 0.3 . 1 . . . . 126 ASN N . 17922 1 452 . 1 1 127 127 TYR H H 1 9.16 0.02 . 1 . . . . 127 TYR H . 17922 1 453 . 1 1 127 127 TYR C C 13 175.2 0.3 . 1 . . . . 127 TYR C . 17922 1 454 . 1 1 127 127 TYR CA C 13 56.5 0.3 . 1 . . . . 127 TYR CA . 17922 1 455 . 1 1 127 127 TYR CB C 13 42.0 0.3 . 1 . . . . 127 TYR CB . 17922 1 456 . 1 1 127 127 TYR N N 15 121.3 0.3 . 1 . . . . 127 TYR N . 17922 1 457 . 1 1 128 128 THR H H 1 9.27 0.02 . 1 . . . . 128 THR H . 17922 1 458 . 1 1 128 128 THR HG21 H 1 1.38 0.02 . 1 . . . . 128 THR HG2 . 17922 1 459 . 1 1 128 128 THR HG22 H 1 1.38 0.02 . 1 . . . . 128 THR HG2 . 17922 1 460 . 1 1 128 128 THR HG23 H 1 1.38 0.02 . 1 . . . . 128 THR HG2 . 17922 1 461 . 1 1 128 128 THR CA C 13 61.1 0.3 . 1 . . . . 128 THR CA . 17922 1 462 . 1 1 128 128 THR CB C 13 66.3 0.3 . 1 . . . . 128 THR CB . 17922 1 463 . 1 1 128 128 THR N N 15 112.9 0.3 . 1 . . . . 128 THR N . 17922 1 464 . 1 1 129 129 PRO C C 13 177.3 0.3 . 1 . . . . 129 PRO C . 17922 1 465 . 1 1 130 130 GLY H H 1 8.52 0.02 . 1 . . . . 130 GLY H . 17922 1 466 . 1 1 130 130 GLY C C 13 174.1 0.3 . 1 . . . . 130 GLY C . 17922 1 467 . 1 1 130 130 GLY CA C 13 44.8 0.3 . 1 . . . . 130 GLY CA . 17922 1 468 . 1 1 130 130 GLY N N 15 109.6 0.3 . 1 . . . . 130 GLY N . 17922 1 469 . 1 1 131 131 PRO C C 13 176.0 0.3 . 1 . . . . 131 PRO C . 17922 1 470 . 1 1 131 131 PRO CA C 13 61.7 0.3 . 1 . . . . 131 PRO CA . 17922 1 471 . 1 1 131 131 PRO CB C 13 33.6 0.3 . 1 . . . . 131 PRO CB . 17922 1 472 . 1 1 132 132 GLY H H 1 10.24 0.02 . 1 . . . . 132 GLY H . 17922 1 473 . 1 1 132 132 GLY CA C 13 43.4 0.3 . 1 . . . . 132 GLY CA . 17922 1 474 . 1 1 132 132 GLY N N 15 111.5 0.3 . 1 . . . . 132 GLY N . 17922 1 475 . 1 1 133 133 ILE C C 13 175.6 0.3 . 1 . . . . 133 ILE C . 17922 1 476 . 1 1 133 133 ILE CA C 13 62.2 0.3 . 1 . . . . 133 ILE CA . 17922 1 477 . 1 1 133 133 ILE CB C 13 37.3 0.3 . 1 . . . . 133 ILE CB . 17922 1 478 . 1 1 134 134 ARG H H 1 9.01 0.02 . 1 . . . . 134 ARG H . 17922 1 479 . 1 1 134 134 ARG C C 13 175.6 0.3 . 1 . . . . 134 ARG C . 17922 1 480 . 1 1 134 134 ARG CA C 13 51.8 0.3 . 1 . . . . 134 ARG CA . 17922 1 481 . 1 1 134 134 ARG CB C 13 27.4 0.3 . 1 . . . . 134 ARG CB . 17922 1 482 . 1 1 134 134 ARG N N 15 124.2 0.3 . 1 . . . . 134 ARG N . 17922 1 483 . 1 1 135 135 TYR H H 1 9.03 0.02 . 1 . . . . 135 TYR H . 17922 1 484 . 1 1 135 135 TYR C C 13 174.7 0.3 . 1 . . . . 135 TYR C . 17922 1 485 . 1 1 135 135 TYR CA C 13 56.8 0.3 . 1 . . . . 135 TYR CA . 17922 1 486 . 1 1 135 135 TYR CB C 13 37.7 0.3 . 1 . . . . 135 TYR CB . 17922 1 487 . 1 1 135 135 TYR N N 15 122.1 0.3 . 1 . . . . 135 TYR N . 17922 1 488 . 1 1 136 136 PRO C C 13 177.4 0.3 . 1 . . . . 136 PRO C . 17922 1 489 . 1 1 136 136 PRO CA C 13 62.4 0.3 . 1 . . . . 136 PRO CA . 17922 1 490 . 1 1 136 136 PRO CB C 13 32.7 0.3 . 1 . . . . 136 PRO CB . 17922 1 491 . 1 1 137 137 LEU H H 1 8.53 0.02 . 1 . . . . 137 LEU H . 17922 1 492 . 1 1 137 137 LEU C C 13 180.7 0.3 . 1 . . . . 137 LEU C . 17922 1 493 . 1 1 137 137 LEU CA C 13 56.2 0.3 . 1 . . . . 137 LEU CA . 17922 1 494 . 1 1 137 137 LEU CB C 13 40.0 0.3 . 1 . . . . 137 LEU CB . 17922 1 495 . 1 1 137 137 LEU N N 15 121.0 0.3 . 1 . . . . 137 LEU N . 17922 1 496 . 1 1 138 138 THR H H 1 9.11 0.02 . 1 . . . . 138 THR H . 17922 1 497 . 1 1 138 138 THR HG21 H 1 1.08 0.02 . 1 . . . . 138 THR HG2 . 17922 1 498 . 1 1 138 138 THR HG22 H 1 1.08 0.02 . 1 . . . . 138 THR HG2 . 17922 1 499 . 1 1 138 138 THR HG23 H 1 1.08 0.02 . 1 . . . . 138 THR HG2 . 17922 1 500 . 1 1 138 138 THR C C 13 174.1 0.3 . 1 . . . . 138 THR C . 17922 1 501 . 1 1 138 138 THR CA C 13 62.4 0.3 . 1 . . . . 138 THR CA . 17922 1 502 . 1 1 138 138 THR CB C 13 68.0 0.3 . 1 . . . . 138 THR CB . 17922 1 503 . 1 1 138 138 THR N N 15 119.8 0.3 . 1 . . . . 138 THR N . 17922 1 504 . 1 1 139 139 PHE H H 1 9.11 0.02 . 1 . . . . 139 PHE H . 17922 1 505 . 1 1 139 139 PHE C C 13 174.9 0.3 . 1 . . . . 139 PHE C . 17922 1 506 . 1 1 139 139 PHE CA C 13 55.6 0.3 . 1 . . . . 139 PHE CA . 17922 1 507 . 1 1 139 139 PHE CB C 13 36.0 0.3 . 1 . . . . 139 PHE CB . 17922 1 508 . 1 1 139 139 PHE N N 15 132.2 0.3 . 1 . . . . 139 PHE N . 17922 1 509 . 1 1 140 140 GLY H H 1 8.34 0.02 . 1 . . . . 140 GLY H . 17922 1 510 . 1 1 140 140 GLY C C 13 171.7 0.3 . 1 . . . . 140 GLY C . 17922 1 511 . 1 1 140 140 GLY CA C 13 45.0 0.3 . 1 . . . . 140 GLY CA . 17922 1 512 . 1 1 140 140 GLY N N 15 117.0 0.3 . 1 . . . . 140 GLY N . 17922 1 513 . 1 1 141 141 TRP H H 1 7.41 0.02 . 1 . . . . 141 TRP H . 17922 1 514 . 1 1 141 141 TRP HE1 H 1 10.63 0.02 . 1 . . . . 141 TRP HE1 . 17922 1 515 . 1 1 141 141 TRP C C 13 177.7 0.3 . 1 . . . . 141 TRP C . 17922 1 516 . 1 1 141 141 TRP CA C 13 55.3 0.3 . 1 . . . . 141 TRP CA . 17922 1 517 . 1 1 141 141 TRP CB C 13 29.2 0.3 . 1 . . . . 141 TRP CB . 17922 1 518 . 1 1 141 141 TRP N N 15 118.6 0.3 . 1 . . . . 141 TRP N . 17922 1 519 . 1 1 141 141 TRP NE1 N 15 129.0 0.3 . 1 . . . . 141 TRP NE1 . 17922 1 520 . 1 1 142 142 CYS H H 1 8.19 0.02 . 1 . . . . 142 CYS H . 17922 1 521 . 1 1 142 142 CYS C C 13 171.0 0.3 . 1 . . . . 142 CYS C . 17922 1 522 . 1 1 142 142 CYS CA C 13 59.2 0.3 . 1 . . . . 142 CYS CA . 17922 1 523 . 1 1 142 142 CYS CB C 13 25.6 0.3 . 1 . . . . 142 CYS CB . 17922 1 524 . 1 1 142 142 CYS N N 15 125.6 0.3 . 1 . . . . 142 CYS N . 17922 1 525 . 1 1 143 143 PHE H H 1 5.78 0.02 . 1 . . . . 143 PHE H . 17922 1 526 . 1 1 143 143 PHE C C 13 172.1 0.3 . 1 . . . . 143 PHE C . 17922 1 527 . 1 1 143 143 PHE CA C 13 56.1 0.3 . 1 . . . . 143 PHE CA . 17922 1 528 . 1 1 143 143 PHE CB C 13 41.5 0.3 . 1 . . . . 143 PHE CB . 17922 1 529 . 1 1 143 143 PHE N N 15 114.4 0.3 . 1 . . . . 143 PHE N . 17922 1 530 . 1 1 144 144 LYS H H 1 8.97 0.02 . 1 . . . . 144 LYS H . 17922 1 531 . 1 1 144 144 LYS C C 13 173.0 0.3 . 1 . . . . 144 LYS C . 17922 1 532 . 1 1 144 144 LYS CA C 13 51.7 0.3 . 1 . . . . 144 LYS CA . 17922 1 533 . 1 1 144 144 LYS CB C 13 34.6 0.3 . 1 . . . . 144 LYS CB . 17922 1 534 . 1 1 144 144 LYS N N 15 115.1 0.3 . 1 . . . . 144 LYS N . 17922 1 535 . 1 1 145 145 LEU H H 1 8.32 0.02 . 1 . . . . 145 LEU H . 17922 1 536 . 1 1 145 145 LEU C C 13 176.0 0.3 . 1 . . . . 145 LEU C . 17922 1 537 . 1 1 145 145 LEU CA C 13 51.7 0.3 . 1 . . . . 145 LEU CA . 17922 1 538 . 1 1 145 145 LEU CB C 13 41.1 0.3 . 1 . . . . 145 LEU CB . 17922 1 539 . 1 1 145 145 LEU N N 15 117.7 0.3 . 1 . . . . 145 LEU N . 17922 1 540 . 1 1 146 146 VAL H H 1 8.92 0.02 . 1 . . . . 146 VAL H . 17922 1 541 . 1 1 146 146 VAL C C 13 173.9 0.3 . 1 . . . . 146 VAL C . 17922 1 542 . 1 1 146 146 VAL CA C 13 57.5 0.3 . 1 . . . . 146 VAL CA . 17922 1 543 . 1 1 146 146 VAL CB C 13 33.3 0.3 . 1 . . . . 146 VAL CB . 17922 1 544 . 1 1 146 146 VAL N N 15 120.4 0.3 . 1 . . . . 146 VAL N . 17922 1 545 . 1 1 147 147 PRO C C 13 177.2 0.3 . 1 . . . . 147 PRO C . 17922 1 546 . 1 1 147 147 PRO CA C 13 61.8 0.3 . 1 . . . . 147 PRO CA . 17922 1 547 . 1 1 147 147 PRO CB C 13 31.0 0.3 . 1 . . . . 147 PRO CB . 17922 1 548 . 1 1 148 148 VAL H H 1 8.48 0.02 . 1 . . . . 148 VAL H . 17922 1 549 . 1 1 148 148 VAL C C 13 175.7 0.3 . 1 . . . . 148 VAL C . 17922 1 550 . 1 1 148 148 VAL CA C 13 61.2 0.3 . 1 . . . . 148 VAL CA . 17922 1 551 . 1 1 148 148 VAL CB C 13 32.0 0.3 . 1 . . . . 148 VAL CB . 17922 1 552 . 1 1 148 148 VAL N N 15 122.2 0.3 . 1 . . . . 148 VAL N . 17922 1 553 . 1 1 149 149 GLU H H 1 8.44 0.02 . 1 . . . . 149 GLU H . 17922 1 554 . 1 1 149 149 GLU C C 13 174.6 0.3 . 1 . . . . 149 GLU C . 17922 1 555 . 1 1 149 149 GLU CA C 13 53.6 0.3 . 1 . . . . 149 GLU CA . 17922 1 556 . 1 1 149 149 GLU CB C 13 28.9 0.3 . 1 . . . . 149 GLU CB . 17922 1 557 . 1 1 149 149 GLU N N 15 125.8 0.3 . 1 . . . . 149 GLU N . 17922 1 558 . 1 1 150 150 PRO C C 13 176.9 0.3 . 1 . . . . 150 PRO C . 17922 1 559 . 1 1 150 150 PRO CA C 13 62.6 0.3 . 1 . . . . 150 PRO CA . 17922 1 560 . 1 1 150 150 PRO CB C 13 31.0 0.3 . 1 . . . . 150 PRO CB . 17922 1 561 . 1 1 151 151 GLU H H 1 8.55 0.02 . 1 . . . . 151 GLU H . 17922 1 562 . 1 1 151 151 GLU C C 13 176.5 0.3 . 1 . . . . 151 GLU C . 17922 1 563 . 1 1 151 151 GLU CA C 13 56.2 0.3 . 1 . . . . 151 GLU CA . 17922 1 564 . 1 1 151 151 GLU CB C 13 29.0 0.3 . 1 . . . . 151 GLU CB . 17922 1 565 . 1 1 151 151 GLU N N 15 120.3 0.3 . 1 . . . . 151 GLU N . 17922 1 566 . 1 1 152 152 LYS H H 1 8.30 0.02 . 1 . . . . 152 LYS H . 17922 1 567 . 1 1 152 152 LYS C C 13 176.4 0.3 . 1 . . . . 152 LYS C . 17922 1 568 . 1 1 152 152 LYS CA C 13 55.4 0.3 . 1 . . . . 152 LYS CA . 17922 1 569 . 1 1 152 152 LYS CB C 13 31.7 0.3 . 1 . . . . 152 LYS CB . 17922 1 570 . 1 1 152 152 LYS N N 15 122.3 0.3 . 1 . . . . 152 LYS N . 17922 1 571 . 1 1 153 153 VAL H H 1 8.16 0.02 . 1 . . . . 153 VAL H . 17922 1 572 . 1 1 153 153 VAL C C 13 176.2 0.3 . 1 . . . . 153 VAL C . 17922 1 573 . 1 1 153 153 VAL CA C 13 61.7 0.3 . 1 . . . . 153 VAL CA . 17922 1 574 . 1 1 153 153 VAL CB C 13 31.7 0.3 . 1 . . . . 153 VAL CB . 17922 1 575 . 1 1 153 153 VAL N N 15 122.1 0.3 . 1 . . . . 153 VAL N . 17922 1 576 . 1 1 154 154 GLU H H 1 8.51 0.02 . 1 . . . . 154 GLU H . 17922 1 577 . 1 1 154 154 GLU C C 13 176.4 0.3 . 1 . . . . 154 GLU C . 17922 1 578 . 1 1 154 154 GLU CA C 13 56.1 0.3 . 1 . . . . 154 GLU CA . 17922 1 579 . 1 1 154 154 GLU CB C 13 29.2 0.3 . 1 . . . . 154 GLU CB . 17922 1 580 . 1 1 154 154 GLU N N 15 124.2 0.3 . 1 . . . . 154 GLU N . 17922 1 581 . 1 1 155 155 GLU H H 1 8.38 0.02 . 1 . . . . 155 GLU H . 17922 1 582 . 1 1 155 155 GLU C C 13 176.1 0.3 . 1 . . . . 155 GLU C . 17922 1 583 . 1 1 155 155 GLU CA C 13 56.0 0.3 . 1 . . . . 155 GLU CA . 17922 1 584 . 1 1 155 155 GLU CB C 13 29.2 0.3 . 1 . . . . 155 GLU CB . 17922 1 585 . 1 1 155 155 GLU N N 15 121.8 0.3 . 1 . . . . 155 GLU N . 17922 1 586 . 1 1 156 156 ALA H H 1 8.32 0.02 . 1 . . . . 156 ALA H . 17922 1 587 . 1 1 156 156 ALA C C 13 177.4 0.3 . 1 . . . . 156 ALA C . 17922 1 588 . 1 1 156 156 ALA CA C 13 52.0 0.3 . 1 . . . . 156 ALA CA . 17922 1 589 . 1 1 156 156 ALA CB C 13 18.2 0.3 . 1 . . . . 156 ALA CB . 17922 1 590 . 1 1 156 156 ALA N N 15 124.5 0.3 . 1 . . . . 156 ALA N . 17922 1 591 . 1 1 157 157 ASN H H 1 8.40 0.02 . 1 . . . . 157 ASN H . 17922 1 592 . 1 1 157 157 ASN C C 13 175.2 0.3 . 1 . . . . 157 ASN C . 17922 1 593 . 1 1 157 157 ASN CA C 13 52.7 0.3 . 1 . . . . 157 ASN CA . 17922 1 594 . 1 1 157 157 ASN CB C 13 38.7 0.3 . 1 . . . . 157 ASN CB . 17922 1 595 . 1 1 157 157 ASN N N 15 118.0 0.3 . 1 . . . . 157 ASN N . 17922 1 596 . 1 1 158 158 GLU H H 1 8.45 0.02 . 1 . . . . 158 GLU H . 17922 1 597 . 1 1 158 158 GLU C C 13 176.9 0.3 . 1 . . . . 158 GLU C . 17922 1 598 . 1 1 158 158 GLU CA C 13 56.4 0.3 . 1 . . . . 158 GLU CA . 17922 1 599 . 1 1 158 158 GLU CB C 13 29.2 0.3 . 1 . . . . 158 GLU CB . 17922 1 600 . 1 1 158 158 GLU N N 15 121.3 0.3 . 1 . . . . 158 GLU N . 17922 1 601 . 1 1 159 159 GLY H H 1 8.42 0.02 . 1 . . . . 159 GLY H . 17922 1 602 . 1 1 159 159 GLY C C 13 174.2 0.3 . 1 . . . . 159 GLY C . 17922 1 603 . 1 1 159 159 GLY CA C 13 44.7 0.3 . 1 . . . . 159 GLY CA . 17922 1 604 . 1 1 159 159 GLY N N 15 109.6 0.3 . 1 . . . . 159 GLY N . 17922 1 605 . 1 1 160 160 GLU H H 1 8.22 0.02 . 1 . . . . 160 GLU H . 17922 1 606 . 1 1 160 160 GLU C C 13 176.4 0.3 . 1 . . . . 160 GLU C . 17922 1 607 . 1 1 160 160 GLU CA C 13 56.2 0.3 . 1 . . . . 160 GLU CA . 17922 1 608 . 1 1 160 160 GLU CB C 13 29.0 0.3 . 1 . . . . 160 GLU CB . 17922 1 609 . 1 1 160 160 GLU N N 15 120.2 0.3 . 1 . . . . 160 GLU N . 17922 1 610 . 1 1 163 163 CYS C C 13 174.7 0.3 . 1 . . . . 163 CYS C . 17922 1 611 . 1 1 163 163 CYS CA C 13 58.5 0.3 . 1 . . . . 163 CYS CA . 17922 1 612 . 1 1 163 163 CYS CB C 13 26.7 0.3 . 1 . . . . 163 CYS CB . 17922 1 613 . 1 1 164 164 LEU H H 1 8.19 0.02 . 1 . . . . 164 LEU H . 17922 1 614 . 1 1 164 164 LEU C C 13 177.1 0.3 . 1 . . . . 164 LEU C . 17922 1 615 . 1 1 164 164 LEU CA C 13 54.9 0.3 . 1 . . . . 164 LEU CA . 17922 1 616 . 1 1 164 164 LEU CB C 13 40.7 0.3 . 1 . . . . 164 LEU CB . 17922 1 617 . 1 1 164 164 LEU N N 15 123.3 0.3 . 1 . . . . 164 LEU N . 17922 1 618 . 1 1 165 165 LEU H H 1 8.03 0.02 . 1 . . . . 165 LEU H . 17922 1 619 . 1 1 165 165 LEU C C 13 176.6 0.3 . 1 . . . . 165 LEU C . 17922 1 620 . 1 1 165 165 LEU CA C 13 54.6 0.3 . 1 . . . . 165 LEU CA . 17922 1 621 . 1 1 165 165 LEU CB C 13 41.1 0.3 . 1 . . . . 165 LEU CB . 17922 1 622 . 1 1 165 165 LEU N N 15 121.5 0.3 . 1 . . . . 165 LEU N . 17922 1 623 . 1 1 166 166 HIS H H 1 8.11 0.02 . 1 . . . . 166 HIS H . 17922 1 624 . 1 1 166 166 HIS C C 13 173.7 0.3 . 1 . . . . 166 HIS C . 17922 1 625 . 1 1 166 166 HIS CA C 13 53.8 0.3 . 1 . . . . 166 HIS CA . 17922 1 626 . 1 1 166 166 HIS CB C 13 30.0 0.3 . 1 . . . . 166 HIS CB . 17922 1 627 . 1 1 166 166 HIS N N 15 120.7 0.3 . 1 . . . . 166 HIS N . 17922 1 628 . 1 1 171 171 HIS C C 13 176.0 0.3 . 1 . . . . 171 HIS C . 17922 1 629 . 1 1 171 171 HIS CA C 13 55.9 0.3 . 1 . . . . 171 HIS CA . 17922 1 630 . 1 1 172 172 GLY H H 1 8.36 0.02 . 1 . . . . 172 GLY H . 17922 1 631 . 1 1 172 172 GLY C C 13 174.1 0.3 . 1 . . . . 172 GLY C . 17922 1 632 . 1 1 172 172 GLY CA C 13 44.9 0.3 . 1 . . . . 172 GLY CA . 17922 1 633 . 1 1 172 172 GLY N N 15 110.0 0.3 . 1 . . . . 172 GLY N . 17922 1 634 . 1 1 173 173 MET H H 1 8.25 0.02 . 1 . . . . 173 MET H . 17922 1 635 . 1 1 173 173 MET C C 13 175.9 0.3 . 1 . . . . 173 MET C . 17922 1 636 . 1 1 173 173 MET CA C 13 54.9 0.3 . 1 . . . . 173 MET CA . 17922 1 637 . 1 1 173 173 MET CB C 13 32.0 0.3 . 1 . . . . 173 MET CB . 17922 1 638 . 1 1 173 173 MET N N 15 119.4 0.3 . 1 . . . . 173 MET N . 17922 1 639 . 1 1 174 174 ASP H H 1 8.36 0.02 . 1 . . . . 174 ASP H . 17922 1 640 . 1 1 174 174 ASP C C 13 175.4 0.3 . 1 . . . . 174 ASP C . 17922 1 641 . 1 1 174 174 ASP CA C 13 53.9 0.3 . 1 . . . . 174 ASP CA . 17922 1 642 . 1 1 174 174 ASP CB C 13 40.4 0.3 . 1 . . . . 174 ASP CB . 17922 1 643 . 1 1 174 174 ASP N N 15 120.5 0.3 . 1 . . . . 174 ASP N . 17922 1 644 . 1 1 175 175 ASP H H 1 8.06 0.02 . 1 . . . . 175 ASP H . 17922 1 645 . 1 1 175 175 ASP C C 13 175.2 0.3 . 1 . . . . 175 ASP C . 17922 1 646 . 1 1 175 175 ASP CA C 13 51.4 0.3 . 1 . . . . 175 ASP CA . 17922 1 647 . 1 1 175 175 ASP CB C 13 40.5 0.3 . 1 . . . . 175 ASP CB . 17922 1 648 . 1 1 175 175 ASP N N 15 120.6 0.3 . 1 . . . . 175 ASP N . 17922 1 649 . 1 1 176 176 PRO C C 13 177.7 0.3 . 1 . . . . 176 PRO C . 17922 1 650 . 1 1 176 176 PRO CA C 13 63.5 0.3 . 1 . . . . 176 PRO CA . 17922 1 651 . 1 1 176 176 PRO CB C 13 31.0 0.3 . 1 . . . . 176 PRO CB . 17922 1 652 . 1 1 177 177 GLU H H 1 8.42 0.02 . 1 . . . . 177 GLU H . 17922 1 653 . 1 1 177 177 GLU C C 13 176.9 0.3 . 1 . . . . 177 GLU C . 17922 1 654 . 1 1 177 177 GLU CA C 13 56.5 0.3 . 1 . . . . 177 GLU CA . 17922 1 655 . 1 1 177 177 GLU CB C 13 28.5 0.3 . 1 . . . . 177 GLU CB . 17922 1 656 . 1 1 177 177 GLU N N 15 117.9 0.3 . 1 . . . . 177 GLU N . 17922 1 657 . 1 1 178 178 LYS H H 1 7.78 0.02 . 1 . . . . 178 LYS H . 17922 1 658 . 1 1 178 178 LYS C C 13 176.1 0.3 . 1 . . . . 178 LYS C . 17922 1 659 . 1 1 178 178 LYS CA C 13 55.2 0.3 . 1 . . . . 178 LYS CA . 17922 1 660 . 1 1 178 178 LYS CB C 13 31.7 0.3 . 1 . . . . 178 LYS CB . 17922 1 661 . 1 1 178 178 LYS N N 15 119.3 0.3 . 1 . . . . 178 LYS N . 17922 1 662 . 1 1 179 179 GLU H H 1 7.79 0.02 . 1 . . . . 179 GLU H . 17922 1 663 . 1 1 179 179 GLU C C 13 175.1 0.3 . 1 . . . . 179 GLU C . 17922 1 664 . 1 1 179 179 GLU CA C 13 56.2 0.3 . 1 . . . . 179 GLU CA . 17922 1 665 . 1 1 179 179 GLU CB C 13 30.0 0.3 . 1 . . . . 179 GLU CB . 17922 1 666 . 1 1 179 179 GLU N N 15 121.4 0.3 . 1 . . . . 179 GLU N . 17922 1 667 . 1 1 180 180 VAL H H 1 8.62 0.02 . 1 . . . . 180 VAL H . 17922 1 668 . 1 1 180 180 VAL C C 13 174.5 0.3 . 1 . . . . 180 VAL C . 17922 1 669 . 1 1 180 180 VAL CA C 13 62.2 0.3 . 1 . . . . 180 VAL CA . 17922 1 670 . 1 1 180 180 VAL CB C 13 31.1 0.3 . 1 . . . . 180 VAL CB . 17922 1 671 . 1 1 180 180 VAL N N 15 127.3 0.3 . 1 . . . . 180 VAL N . 17922 1 672 . 1 1 181 181 LEU H H 1 8.75 0.02 . 1 . . . . 181 LEU H . 17922 1 673 . 1 1 181 181 LEU C C 13 176.1 0.3 . 1 . . . . 181 LEU C . 17922 1 674 . 1 1 181 181 LEU CA C 13 52.2 0.3 . 1 . . . . 181 LEU CA . 17922 1 675 . 1 1 181 181 LEU CB C 13 45.0 0.3 . 1 . . . . 181 LEU CB . 17922 1 676 . 1 1 181 181 LEU N N 15 126.8 0.3 . 1 . . . . 181 LEU N . 17922 1 677 . 1 1 182 182 VAL H H 1 8.65 0.02 . 1 . . . . 182 VAL H . 17922 1 678 . 1 1 182 182 VAL CA C 13 58.2 0.3 . 1 . . . . 182 VAL CA . 17922 1 679 . 1 1 182 182 VAL CB C 13 34.7 0.3 . 1 . . . . 182 VAL CB . 17922 1 680 . 1 1 182 182 VAL N N 15 113.9 0.3 . 1 . . . . 182 VAL N . 17922 1 681 . 1 1 183 183 TRP H H 1 8.03 0.02 . 1 . . . . 183 TRP H . 17922 1 682 . 1 1 183 183 TRP HE1 H 1 9.72 0.02 . 1 . . . . 183 TRP HE1 . 17922 1 683 . 1 1 183 183 TRP C C 13 178.2 0.3 . 1 . . . . 183 TRP C . 17922 1 684 . 1 1 183 183 TRP CA C 13 61.5 0.3 . 1 . . . . 183 TRP CA . 17922 1 685 . 1 1 183 183 TRP CB C 13 29.9 0.3 . 1 . . . . 183 TRP CB . 17922 1 686 . 1 1 183 183 TRP N N 15 122.0 0.3 . 1 . . . . 183 TRP N . 17922 1 687 . 1 1 183 183 TRP NE1 N 15 125.8 0.3 . 1 . . . . 183 TRP NE1 . 17922 1 688 . 1 1 184 184 LYS H H 1 9.51 0.02 . 1 . . . . 184 LYS H . 17922 1 689 . 1 1 184 184 LYS C C 13 174.4 0.3 . 1 . . . . 184 LYS C . 17922 1 690 . 1 1 184 184 LYS CA C 13 54.6 0.3 . 1 . . . . 184 LYS CA . 17922 1 691 . 1 1 184 184 LYS CB C 13 35.6 0.3 . 1 . . . . 184 LYS CB . 17922 1 692 . 1 1 184 184 LYS N N 15 123.0 0.3 . 1 . . . . 184 LYS N . 17922 1 693 . 1 1 185 185 PHE H H 1 9.78 0.02 . 1 . . . . 185 PHE H . 17922 1 694 . 1 1 185 185 PHE C C 13 175.5 0.3 . 1 . . . . 185 PHE C . 17922 1 695 . 1 1 185 185 PHE CA C 13 56.8 0.3 . 1 . . . . 185 PHE CA . 17922 1 696 . 1 1 185 185 PHE CB C 13 38.5 0.3 . 1 . . . . 185 PHE CB . 17922 1 697 . 1 1 185 185 PHE N N 15 128.5 0.3 . 1 . . . . 185 PHE N . 17922 1 698 . 1 1 186 186 ASP H H 1 7.74 0.02 . 1 . . . . 186 ASP H . 17922 1 699 . 1 1 186 186 ASP C C 13 175.5 0.3 . 1 . . . . 186 ASP C . 17922 1 700 . 1 1 186 186 ASP CA C 13 52.5 0.3 . 1 . . . . 186 ASP CA . 17922 1 701 . 1 1 186 186 ASP CB C 13 42.1 0.3 . 1 . . . . 186 ASP CB . 17922 1 702 . 1 1 186 186 ASP N N 15 125.9 0.3 . 1 . . . . 186 ASP N . 17922 1 703 . 1 1 187 187 SER H H 1 8.74 0.02 . 1 . . . . 187 SER H . 17922 1 704 . 1 1 187 187 SER C C 13 176.6 0.3 . 1 . . . . 187 SER C . 17922 1 705 . 1 1 187 187 SER CA C 13 60.4 0.3 . 1 . . . . 187 SER CA . 17922 1 706 . 1 1 187 187 SER CB C 13 62.3 0.3 . 1 . . . . 187 SER CB . 17922 1 707 . 1 1 187 187 SER N N 15 121.6 0.3 . 1 . . . . 187 SER N . 17922 1 708 . 1 1 188 188 LYS H H 1 8.37 0.02 . 1 . . . . 188 LYS H . 17922 1 709 . 1 1 188 188 LYS C C 13 179.6 0.3 . 1 . . . . 188 LYS C . 17922 1 710 . 1 1 188 188 LYS CA C 13 58.3 0.3 . 1 . . . . 188 LYS CA . 17922 1 711 . 1 1 188 188 LYS CB C 13 30.6 0.3 . 1 . . . . 188 LYS CB . 17922 1 712 . 1 1 188 188 LYS N N 15 120.4 0.3 . 1 . . . . 188 LYS N . 17922 1 713 . 1 1 189 189 LEU H H 1 7.58 0.02 . 1 . . . . 189 LEU H . 17922 1 714 . 1 1 189 189 LEU C C 13 176.5 0.3 . 1 . . . . 189 LEU C . 17922 1 715 . 1 1 189 189 LEU CA C 13 55.4 0.3 . 1 . . . . 189 LEU CA . 17922 1 716 . 1 1 189 189 LEU CB C 13 39.1 0.3 . 1 . . . . 189 LEU CB . 17922 1 717 . 1 1 189 189 LEU N N 15 117.2 0.3 . 1 . . . . 189 LEU N . 17922 1 718 . 1 1 190 190 ALA H H 1 7.20 0.02 . 1 . . . . 190 ALA H . 17922 1 719 . 1 1 190 190 ALA C C 13 177.2 0.3 . 1 . . . . 190 ALA C . 17922 1 720 . 1 1 190 190 ALA CA C 13 52.2 0.3 . 1 . . . . 190 ALA CA . 17922 1 721 . 1 1 190 190 ALA CB C 13 17.1 0.3 . 1 . . . . 190 ALA CB . 17922 1 722 . 1 1 190 190 ALA N N 15 117.4 0.3 . 1 . . . . 190 ALA N . 17922 1 723 . 1 1 191 191 PHE H H 1 7.70 0.02 . 1 . . . . 191 PHE H . 17922 1 724 . 1 1 191 191 PHE CA C 13 57.3 0.3 . 1 . . . . 191 PHE CA . 17922 1 725 . 1 1 191 191 PHE CB C 13 40.1 0.3 . 1 . . . . 191 PHE CB . 17922 1 726 . 1 1 191 191 PHE N N 15 114.5 0.3 . 1 . . . . 191 PHE N . 17922 1 727 . 1 1 193 193 HIS C C 13 175.7 0.3 . 1 . . . . 193 HIS C . 17922 1 728 . 1 1 193 193 HIS CA C 13 51.1 0.3 . 1 . . . . 193 HIS CA . 17922 1 729 . 1 1 193 193 HIS CB C 13 27.6 0.3 . 1 . . . . 193 HIS CB . 17922 1 730 . 1 1 194 194 MET H H 1 7.25 0.02 . 1 . . . . 194 MET H . 17922 1 731 . 1 1 194 194 MET C C 13 177.7 0.3 . 1 . . . . 194 MET C . 17922 1 732 . 1 1 194 194 MET CA C 13 57.6 0.3 . 1 . . . . 194 MET CA . 17922 1 733 . 1 1 194 194 MET CB C 13 30.5 0.3 . 1 . . . . 194 MET CB . 17922 1 734 . 1 1 194 194 MET N N 15 126.3 0.3 . 1 . . . . 194 MET N . 17922 1 735 . 1 1 195 195 ALA H H 1 9.97 0.02 . 1 . . . . 195 ALA H . 17922 1 736 . 1 1 195 195 ALA C C 13 177.5 0.3 . 1 . . . . 195 ALA C . 17922 1 737 . 1 1 195 195 ALA CA C 13 55.1 0.3 . 1 . . . . 195 ALA CA . 17922 1 738 . 1 1 195 195 ALA CB C 13 19.5 0.3 . 1 . . . . 195 ALA CB . 17922 1 739 . 1 1 195 195 ALA N N 15 119.2 0.3 . 1 . . . . 195 ALA N . 17922 1 740 . 1 1 196 196 ARG H H 1 5.90 0.02 . 1 . . . . 196 ARG H . 17922 1 741 . 1 1 196 196 ARG C C 13 176.7 0.3 . 1 . . . . 196 ARG C . 17922 1 742 . 1 1 196 196 ARG CA C 13 56.9 0.3 . 1 . . . . 196 ARG CA . 17922 1 743 . 1 1 196 196 ARG CB C 13 28.8 0.3 . 1 . . . . 196 ARG CB . 17922 1 744 . 1 1 196 196 ARG N N 15 113.7 0.3 . 1 . . . . 196 ARG N . 17922 1 745 . 1 1 197 197 GLU H H 1 6.99 0.02 . 1 . . . . 197 GLU H . 17922 1 746 . 1 1 197 197 GLU C C 13 178.3 0.3 . 1 . . . . 197 GLU C . 17922 1 747 . 1 1 197 197 GLU CA C 13 57.5 0.3 . 1 . . . . 197 GLU CA . 17922 1 748 . 1 1 197 197 GLU CB C 13 28.4 0.3 . 1 . . . . 197 GLU CB . 17922 1 749 . 1 1 197 197 GLU N N 15 116.7 0.3 . 1 . . . . 197 GLU N . 17922 1 750 . 1 1 198 198 LEU H H 1 7.71 0.02 . 1 . . . . 198 LEU H . 17922 1 751 . 1 1 198 198 LEU C C 13 177.2 0.3 . 1 . . . . 198 LEU C . 17922 1 752 . 1 1 198 198 LEU CA C 13 55.8 0.3 . 1 . . . . 198 LEU CA . 17922 1 753 . 1 1 198 198 LEU CB C 13 42.9 0.3 . 1 . . . . 198 LEU CB . 17922 1 754 . 1 1 198 198 LEU N N 15 116.4 0.3 . 1 . . . . 198 LEU N . 17922 1 755 . 1 1 199 199 HIS H H 1 7.92 0.02 . 1 . . . . 199 HIS H . 17922 1 756 . 1 1 199 199 HIS C C 13 172.4 0.3 . 1 . . . . 199 HIS C . 17922 1 757 . 1 1 199 199 HIS CA C 13 53.3 0.3 . 1 . . . . 199 HIS CA . 17922 1 758 . 1 1 199 199 HIS CB C 13 29.4 0.3 . 1 . . . . 199 HIS CB . 17922 1 759 . 1 1 199 199 HIS N N 15 116.0 0.3 . 1 . . . . 199 HIS N . 17922 1 760 . 1 1 201 201 GLU C C 13 177.7 0.3 . 1 . . . . 201 GLU C . 17922 1 761 . 1 1 201 201 GLU CA C 13 57.7 0.3 . 1 . . . . 201 GLU CA . 17922 1 762 . 1 1 201 201 GLU CB C 13 26.5 0.3 . 1 . . . . 201 GLU CB . 17922 1 763 . 1 1 202 202 TYR H H 1 7.76 0.02 . 1 . . . . 202 TYR H . 17922 1 764 . 1 1 202 202 TYR C C 13 176.0 0.3 . 1 . . . . 202 TYR C . 17922 1 765 . 1 1 202 202 TYR CA C 13 58.0 0.3 . 1 . . . . 202 TYR CA . 17922 1 766 . 1 1 202 202 TYR CB C 13 36.7 0.3 . 1 . . . . 202 TYR CB . 17922 1 767 . 1 1 202 202 TYR N N 15 119.8 0.3 . 1 . . . . 202 TYR N . 17922 1 768 . 1 1 203 203 TYR H H 1 7.91 0.02 . 1 . . . . 203 TYR H . 17922 1 769 . 1 1 203 203 TYR C C 13 175.5 0.3 . 1 . . . . 203 TYR C . 17922 1 770 . 1 1 203 203 TYR CA C 13 58.1 0.3 . 1 . . . . 203 TYR CA . 17922 1 771 . 1 1 203 203 TYR CB C 13 37.9 0.3 . 1 . . . . 203 TYR CB . 17922 1 772 . 1 1 203 203 TYR N N 15 117.6 0.3 . 1 . . . . 203 TYR N . 17922 1 773 . 1 1 204 204 LYS H H 1 7.75 0.02 . 1 . . . . 204 LYS H . 17922 1 774 . 1 1 204 204 LYS C C 13 176.7 0.3 . 1 . . . . 204 LYS C . 17922 1 775 . 1 1 204 204 LYS CA C 13 56.7 0.3 . 1 . . . . 204 LYS CA . 17922 1 776 . 1 1 204 204 LYS CB C 13 32.1 0.3 . 1 . . . . 204 LYS CB . 17922 1 777 . 1 1 204 204 LYS N N 15 120.5 0.3 . 1 . . . . 204 LYS N . 17922 1 778 . 1 1 206 206 CYS C C 13 175.8 0.3 . 1 . . . . 206 CYS C . 17922 1 779 . 1 1 206 206 CYS CA C 13 62.1 0.3 . 1 . . . . 206 CYS CA . 17922 1 780 . 1 1 206 206 CYS CB C 13 32.8 0.3 . 1 . . . . 206 CYS CB . 17922 1 781 . 1 1 207 207 ALA H H 1 8.63 0.02 . 1 . . . . 207 ALA H . 17922 1 782 . 1 1 207 207 ALA C C 13 177.2 0.3 . 1 . . . . 207 ALA C . 17922 1 783 . 1 1 207 207 ALA CA C 13 52.6 0.3 . 1 . . . . 207 ALA CA . 17922 1 784 . 1 1 207 207 ALA CB C 13 17.4 0.3 . 1 . . . . 207 ALA CB . 17922 1 785 . 1 1 207 207 ALA N N 15 128.2 0.3 . 1 . . . . 207 ALA N . 17922 1 786 . 1 1 208 208 ALA C C 13 177.8 0.3 . 1 . . . . 208 ALA C . 17922 1 787 . 1 1 208 208 ALA CA C 13 52.2 0.3 . 1 . . . . 208 ALA CA . 17922 1 788 . 1 1 208 208 ALA CB C 13 18.2 0.3 . 1 . . . . 208 ALA CB . 17922 1 789 . 1 1 209 209 ALA H H 1 8.04 0.02 . 1 . . . . 209 ALA H . 17922 1 790 . 1 1 209 209 ALA C C 13 177.8 0.3 . 1 . . . . 209 ALA C . 17922 1 791 . 1 1 209 209 ALA CA C 13 52.2 0.3 . 1 . . . . 209 ALA CA . 17922 1 792 . 1 1 209 209 ALA CB C 13 18.0 0.3 . 1 . . . . 209 ALA CB . 17922 1 793 . 1 1 209 209 ALA N N 15 122.0 0.3 . 1 . . . . 209 ALA N . 17922 1 794 . 1 1 210 210 LEU H H 1 7.98 0.02 . 1 . . . . 210 LEU H . 17922 1 795 . 1 1 210 210 LEU C C 13 177.5 0.3 . 1 . . . . 210 LEU C . 17922 1 796 . 1 1 210 210 LEU CA C 13 54.8 0.3 . 1 . . . . 210 LEU CA . 17922 1 797 . 1 1 210 210 LEU CB C 13 41.0 0.3 . 1 . . . . 210 LEU CB . 17922 1 798 . 1 1 210 210 LEU N N 15 120.1 0.3 . 1 . . . . 210 LEU N . 17922 1 799 . 1 1 211 211 GLU H H 1 8.17 0.02 . 1 . . . . 211 GLU H . 17922 1 800 . 1 1 211 211 GLU C C 13 176.3 0.3 . 1 . . . . 211 GLU C . 17922 1 801 . 1 1 211 211 GLU CA C 13 56.1 0.3 . 1 . . . . 211 GLU CA . 17922 1 802 . 1 1 211 211 GLU CB C 13 29.4 0.3 . 1 . . . . 211 GLU CB . 17922 1 803 . 1 1 211 211 GLU N N 15 120.3 0.3 . 1 . . . . 211 GLU N . 17922 1 804 . 1 1 213 213 HIS CA C 13 57.9 0.3 . 1 . . . . 213 HIS CA . 17922 1 805 . 1 1 213 213 HIS CB C 13 26.4 0.3 . 1 . . . . 213 HIS CB . 17922 1 806 . 1 1 214 214 HIS C C 13 177.4 0.3 . 1 . . . . 214 HIS C . 17922 1 807 . 1 1 214 214 HIS CA C 13 57.9 0.3 . 1 . . . . 214 HIS CA . 17922 1 808 . 1 1 214 214 HIS CB C 13 27.5 0.3 . 1 . . . . 214 HIS CB . 17922 1 809 . 1 1 215 215 HIS CA C 13 58.4 0.3 . 1 . . . . 215 HIS CA . 17922 1 810 . 1 1 215 215 HIS CB C 13 31.1 0.3 . 1 . . . . 215 HIS CB . 17922 1 811 . 1 1 216 216 HIS C C 13 174.2 0.3 . 1 . . . . 216 HIS C . 17922 1 812 . 1 1 216 216 HIS CA C 13 55.7 0.3 . 1 . . . . 216 HIS CA . 17922 1 813 . 1 1 216 216 HIS CB C 13 30.1 0.3 . 1 . . . . 216 HIS CB . 17922 1 814 . 1 1 217 217 HIS H H 1 7.81 0.02 . 1 . . . . 217 HIS H . 17922 1 815 . 1 1 217 217 HIS C C 13 179.8 0.3 . 1 . . . . 217 HIS C . 17922 1 816 . 1 1 217 217 HIS CA C 13 57.2 0.3 . 1 . . . . 217 HIS CA . 17922 1 817 . 1 1 217 217 HIS CB C 13 30.6 0.3 . 1 . . . . 217 HIS CB . 17922 1 818 . 1 1 217 217 HIS N N 15 125.6 0.3 . 1 . . . . 217 HIS N . 17922 1 stop_ save_