data_52713 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52713 _Entry.Title ; 1H, 15N, 13C backbone resonance assignment of full length apo human Alkbh7 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-11-20 _Entry.Accession_date 2024-11-20 _Entry.Last_release_date 2024-12-02 _Entry.Original_release_date 2024-12-02 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Baboucarr Faal . . . . 52713 2 Jeffrey Purslow . A. . 0000-0001-8828-0809 52713 3 Vincenzo Venditti . . . 0000-0001-8734-0400 52713 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52713 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 462 52713 '15N chemical shifts' 143 52713 '1H chemical shifts' 143 52713 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 . . 2024-12-05 . original BMRB . 52713 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52713 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 15N, 13C backbone resonance assignment of human Alkbh7 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Baboucarr Faal . . . . 52713 1 2 Jeffrey Purslow . A. . . 52713 1 3 Vincenzo Venditti . . . . 52713 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52713 _Assembly.ID 1 _Assembly.Name Alkbh7 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 Alkbh7 1 $entity_1 . . yes native no no . . . 52713 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52713 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MAGTGLLALRTLPGPSWVRG SGPSVLSRLQDAAVVRPGFL STAEEETLSRELEPELRRRR YEYDHWDAAIHGFRETEKSR WSEASRAILQRVQAAAFGPG QTLLSSVHVLDLEARGYIKP HVDSIKFCGATIAGLSLLSP SVMRLVHTQEPGEWLELLLE PGSLYILRGSARYDFSHEIL RDEESFFGERRIPRGRRISV ICRSLPEGMGPGESGQPPPA C ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 221 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 52713 1 2 . ALA . 52713 1 3 . GLY . 52713 1 4 . THR . 52713 1 5 . GLY . 52713 1 6 . LEU . 52713 1 7 . LEU . 52713 1 8 . ALA . 52713 1 9 . LEU . 52713 1 10 . ARG . 52713 1 11 . THR . 52713 1 12 . LEU . 52713 1 13 . PRO . 52713 1 14 . GLY . 52713 1 15 . PRO . 52713 1 16 . SER . 52713 1 17 . TRP . 52713 1 18 . VAL . 52713 1 19 . ARG . 52713 1 20 . GLY . 52713 1 21 . SER . 52713 1 22 . GLY . 52713 1 23 . PRO . 52713 1 24 . SER . 52713 1 25 . VAL . 52713 1 26 . LEU . 52713 1 27 . SER . 52713 1 28 . ARG . 52713 1 29 . LEU . 52713 1 30 . GLN . 52713 1 31 . ASP . 52713 1 32 . ALA . 52713 1 33 . ALA . 52713 1 34 . VAL . 52713 1 35 . VAL . 52713 1 36 . ARG . 52713 1 37 . PRO . 52713 1 38 . GLY . 52713 1 39 . PHE . 52713 1 40 . LEU . 52713 1 41 . SER . 52713 1 42 . THR . 52713 1 43 . ALA . 52713 1 44 . GLU . 52713 1 45 . GLU . 52713 1 46 . GLU . 52713 1 47 . THR . 52713 1 48 . LEU . 52713 1 49 . SER . 52713 1 50 . ARG . 52713 1 51 . GLU . 52713 1 52 . LEU . 52713 1 53 . GLU . 52713 1 54 . PRO . 52713 1 55 . GLU . 52713 1 56 . LEU . 52713 1 57 . ARG . 52713 1 58 . ARG . 52713 1 59 . ARG . 52713 1 60 . ARG . 52713 1 61 . TYR . 52713 1 62 . GLU . 52713 1 63 . TYR . 52713 1 64 . ASP . 52713 1 65 . HIS . 52713 1 66 . TRP . 52713 1 67 . ASP . 52713 1 68 . ALA . 52713 1 69 . ALA . 52713 1 70 . ILE . 52713 1 71 . HIS . 52713 1 72 . GLY . 52713 1 73 . PHE . 52713 1 74 . ARG . 52713 1 75 . GLU . 52713 1 76 . THR . 52713 1 77 . GLU . 52713 1 78 . LYS . 52713 1 79 . SER . 52713 1 80 . ARG . 52713 1 81 . TRP . 52713 1 82 . SER . 52713 1 83 . GLU . 52713 1 84 . ALA . 52713 1 85 . SER . 52713 1 86 . ARG . 52713 1 87 . ALA . 52713 1 88 . ILE . 52713 1 89 . LEU . 52713 1 90 . GLN . 52713 1 91 . ARG . 52713 1 92 . VAL . 52713 1 93 . GLN . 52713 1 94 . ALA . 52713 1 95 . ALA . 52713 1 96 . ALA . 52713 1 97 . PHE . 52713 1 98 . GLY . 52713 1 99 . PRO . 52713 1 100 . GLY . 52713 1 101 . GLN . 52713 1 102 . THR . 52713 1 103 . LEU . 52713 1 104 . LEU . 52713 1 105 . SER . 52713 1 106 . SER . 52713 1 107 . VAL . 52713 1 108 . HIS . 52713 1 109 . VAL . 52713 1 110 . LEU . 52713 1 111 . ASP . 52713 1 112 . LEU . 52713 1 113 . GLU . 52713 1 114 . ALA . 52713 1 115 . ARG . 52713 1 116 . GLY . 52713 1 117 . TYR . 52713 1 118 . ILE . 52713 1 119 . LYS . 52713 1 120 . PRO . 52713 1 121 . HIS . 52713 1 122 . VAL . 52713 1 123 . ASP . 52713 1 124 . SER . 52713 1 125 . ILE . 52713 1 126 . LYS . 52713 1 127 . PHE . 52713 1 128 . CYS . 52713 1 129 . GLY . 52713 1 130 . ALA . 52713 1 131 . THR . 52713 1 132 . ILE . 52713 1 133 . ALA . 52713 1 134 . GLY . 52713 1 135 . LEU . 52713 1 136 . SER . 52713 1 137 . LEU . 52713 1 138 . LEU . 52713 1 139 . SER . 52713 1 140 . PRO . 52713 1 141 . SER . 52713 1 142 . VAL . 52713 1 143 . MET . 52713 1 144 . ARG . 52713 1 145 . LEU . 52713 1 146 . VAL . 52713 1 147 . HIS . 52713 1 148 . THR . 52713 1 149 . GLN . 52713 1 150 . GLU . 52713 1 151 . PRO . 52713 1 152 . GLY . 52713 1 153 . GLU . 52713 1 154 . TRP . 52713 1 155 . LEU . 52713 1 156 . GLU . 52713 1 157 . LEU . 52713 1 158 . LEU . 52713 1 159 . LEU . 52713 1 160 . GLU . 52713 1 161 . PRO . 52713 1 162 . GLY . 52713 1 163 . SER . 52713 1 164 . LEU . 52713 1 165 . TYR . 52713 1 166 . ILE . 52713 1 167 . LEU . 52713 1 168 . ARG . 52713 1 169 . GLY . 52713 1 170 . SER . 52713 1 171 . ALA . 52713 1 172 . ARG . 52713 1 173 . TYR . 52713 1 174 . ASP . 52713 1 175 . PHE . 52713 1 176 . SER . 52713 1 177 . HIS . 52713 1 178 . GLU . 52713 1 179 . ILE . 52713 1 180 . LEU . 52713 1 181 . ARG . 52713 1 182 . ASP . 52713 1 183 . GLU . 52713 1 184 . GLU . 52713 1 185 . SER . 52713 1 186 . PHE . 52713 1 187 . PHE . 52713 1 188 . GLY . 52713 1 189 . GLU . 52713 1 190 . ARG . 52713 1 191 . ARG . 52713 1 192 . ILE . 52713 1 193 . PRO . 52713 1 194 . ARG . 52713 1 195 . GLY . 52713 1 196 . ARG . 52713 1 197 . ARG . 52713 1 198 . ILE . 52713 1 199 . SER . 52713 1 200 . VAL . 52713 1 201 . ILE . 52713 1 202 . CYS . 52713 1 203 . ARG . 52713 1 204 . SER . 52713 1 205 . LEU . 52713 1 206 . PRO . 52713 1 207 . GLU . 52713 1 208 . GLY . 52713 1 209 . MET . 52713 1 210 . GLY . 52713 1 211 . PRO . 52713 1 212 . GLY . 52713 1 213 . GLU . 52713 1 214 . SER . 52713 1 215 . GLY . 52713 1 216 . GLN . 52713 1 217 . PRO . 52713 1 218 . PRO . 52713 1 219 . PRO . 52713 1 220 . ALA . 52713 1 221 . CYS . 52713 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 52713 1 . ALA 2 2 52713 1 . GLY 3 3 52713 1 . THR 4 4 52713 1 . GLY 5 5 52713 1 . LEU 6 6 52713 1 . LEU 7 7 52713 1 . ALA 8 8 52713 1 . LEU 9 9 52713 1 . ARG 10 10 52713 1 . THR 11 11 52713 1 . LEU 12 12 52713 1 . PRO 13 13 52713 1 . GLY 14 14 52713 1 . PRO 15 15 52713 1 . SER 16 16 52713 1 . TRP 17 17 52713 1 . VAL 18 18 52713 1 . ARG 19 19 52713 1 . GLY 20 20 52713 1 . SER 21 21 52713 1 . GLY 22 22 52713 1 . PRO 23 23 52713 1 . SER 24 24 52713 1 . VAL 25 25 52713 1 . LEU 26 26 52713 1 . SER 27 27 52713 1 . ARG 28 28 52713 1 . LEU 29 29 52713 1 . GLN 30 30 52713 1 . ASP 31 31 52713 1 . ALA 32 32 52713 1 . ALA 33 33 52713 1 . VAL 34 34 52713 1 . VAL 35 35 52713 1 . ARG 36 36 52713 1 . PRO 37 37 52713 1 . GLY 38 38 52713 1 . PHE 39 39 52713 1 . LEU 40 40 52713 1 . SER 41 41 52713 1 . THR 42 42 52713 1 . ALA 43 43 52713 1 . GLU 44 44 52713 1 . GLU 45 45 52713 1 . GLU 46 46 52713 1 . THR 47 47 52713 1 . LEU 48 48 52713 1 . SER 49 49 52713 1 . ARG 50 50 52713 1 . GLU 51 51 52713 1 . LEU 52 52 52713 1 . GLU 53 53 52713 1 . PRO 54 54 52713 1 . GLU 55 55 52713 1 . LEU 56 56 52713 1 . ARG 57 57 52713 1 . ARG 58 58 52713 1 . ARG 59 59 52713 1 . ARG 60 60 52713 1 . TYR 61 61 52713 1 . GLU 62 62 52713 1 . TYR 63 63 52713 1 . ASP 64 64 52713 1 . HIS 65 65 52713 1 . TRP 66 66 52713 1 . ASP 67 67 52713 1 . ALA 68 68 52713 1 . ALA 69 69 52713 1 . ILE 70 70 52713 1 . HIS 71 71 52713 1 . GLY 72 72 52713 1 . PHE 73 73 52713 1 . ARG 74 74 52713 1 . GLU 75 75 52713 1 . THR 76 76 52713 1 . GLU 77 77 52713 1 . LYS 78 78 52713 1 . SER 79 79 52713 1 . ARG 80 80 52713 1 . TRP 81 81 52713 1 . SER 82 82 52713 1 . GLU 83 83 52713 1 . ALA 84 84 52713 1 . SER 85 85 52713 1 . ARG 86 86 52713 1 . ALA 87 87 52713 1 . ILE 88 88 52713 1 . LEU 89 89 52713 1 . GLN 90 90 52713 1 . ARG 91 91 52713 1 . VAL 92 92 52713 1 . GLN 93 93 52713 1 . ALA 94 94 52713 1 . ALA 95 95 52713 1 . ALA 96 96 52713 1 . PHE 97 97 52713 1 . GLY 98 98 52713 1 . PRO 99 99 52713 1 . GLY 100 100 52713 1 . GLN 101 101 52713 1 . THR 102 102 52713 1 . LEU 103 103 52713 1 . LEU 104 104 52713 1 . SER 105 105 52713 1 . SER 106 106 52713 1 . VAL 107 107 52713 1 . HIS 108 108 52713 1 . VAL 109 109 52713 1 . LEU 110 110 52713 1 . ASP 111 111 52713 1 . LEU 112 112 52713 1 . GLU 113 113 52713 1 . ALA 114 114 52713 1 . ARG 115 115 52713 1 . GLY 116 116 52713 1 . TYR 117 117 52713 1 . ILE 118 118 52713 1 . LYS 119 119 52713 1 . PRO 120 120 52713 1 . HIS 121 121 52713 1 . VAL 122 122 52713 1 . ASP 123 123 52713 1 . SER 124 124 52713 1 . ILE 125 125 52713 1 . LYS 126 126 52713 1 . PHE 127 127 52713 1 . CYS 128 128 52713 1 . GLY 129 129 52713 1 . ALA 130 130 52713 1 . THR 131 131 52713 1 . ILE 132 132 52713 1 . ALA 133 133 52713 1 . GLY 134 134 52713 1 . LEU 135 135 52713 1 . SER 136 136 52713 1 . LEU 137 137 52713 1 . LEU 138 138 52713 1 . SER 139 139 52713 1 . PRO 140 140 52713 1 . SER 141 141 52713 1 . VAL 142 142 52713 1 . MET 143 143 52713 1 . ARG 144 144 52713 1 . LEU 145 145 52713 1 . VAL 146 146 52713 1 . HIS 147 147 52713 1 . THR 148 148 52713 1 . GLN 149 149 52713 1 . GLU 150 150 52713 1 . PRO 151 151 52713 1 . GLY 152 152 52713 1 . GLU 153 153 52713 1 . TRP 154 154 52713 1 . LEU 155 155 52713 1 . GLU 156 156 52713 1 . LEU 157 157 52713 1 . LEU 158 158 52713 1 . LEU 159 159 52713 1 . GLU 160 160 52713 1 . PRO 161 161 52713 1 . GLY 162 162 52713 1 . SER 163 163 52713 1 . LEU 164 164 52713 1 . TYR 165 165 52713 1 . ILE 166 166 52713 1 . LEU 167 167 52713 1 . ARG 168 168 52713 1 . GLY 169 169 52713 1 . SER 170 170 52713 1 . ALA 171 171 52713 1 . ARG 172 172 52713 1 . TYR 173 173 52713 1 . ASP 174 174 52713 1 . PHE 175 175 52713 1 . SER 176 176 52713 1 . HIS 177 177 52713 1 . GLU 178 178 52713 1 . ILE 179 179 52713 1 . LEU 180 180 52713 1 . ARG 181 181 52713 1 . ASP 182 182 52713 1 . GLU 183 183 52713 1 . GLU 184 184 52713 1 . SER 185 185 52713 1 . PHE 186 186 52713 1 . PHE 187 187 52713 1 . GLY 188 188 52713 1 . GLU 189 189 52713 1 . ARG 190 190 52713 1 . ARG 191 191 52713 1 . ILE 192 192 52713 1 . PRO 193 193 52713 1 . ARG 194 194 52713 1 . GLY 195 195 52713 1 . ARG 196 196 52713 1 . ARG 197 197 52713 1 . ILE 198 198 52713 1 . SER 199 199 52713 1 . VAL 200 200 52713 1 . ILE 201 201 52713 1 . CYS 202 202 52713 1 . ARG 203 203 52713 1 . SER 204 204 52713 1 . LEU 205 205 52713 1 . PRO 206 206 52713 1 . GLU 207 207 52713 1 . GLY 208 208 52713 1 . MET 209 209 52713 1 . GLY 210 210 52713 1 . PRO 211 211 52713 1 . GLY 212 212 52713 1 . GLU 213 213 52713 1 . SER 214 214 52713 1 . GLY 215 215 52713 1 . GLN 216 216 52713 1 . PRO 217 217 52713 1 . PRO 218 218 52713 1 . PRO 219 219 52713 1 . ALA 220 220 52713 1 . CYS 221 221 52713 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52713 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 52713 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52713 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . 'Modified pET21a' . . 'Incorporated a HIS-Tag, N-terminal domain from the enzyme, EIN, and a TEV recognition cleavage site' 52713 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52713 _Sample.ID 1 _Sample.Name '1H, 15N, 13C sample' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Alkbh7 '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 200 . . uM . . . . 52713 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 52713 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 52713 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 52713 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Alkbh7 FL sample condition' _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' 150 . mM 52713 1 pH 6 . pH 52713 1 pressure 1 . atm 52713 1 temperature 298 . K 52713 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52713 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52713 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52713 _Software.ID 2 _Software.Type . _Software.Name MARS _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52713 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52713 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'AVIII 600 Cryo' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52713 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52713 1 2 '3D HNCO' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52713 1 3 '3D HNCA' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52713 1 4 '3D HNCACB' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52713 1 5 '3D HN(CO)CACB' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52713 1 6 '3D HN(CO)CA' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52713 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52713 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Chemical Shift Reference' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 glucose 'methyl carbons' . . . . ppm . internal indirect 0.251449530 . . . . . 52713 1 H 1 water protons . . . . ppm . internal direct 1.000000000 . . . . . 52713 1 N 15 '[15N] ammonium chloride' nitrogen . . . . ppm . internal indirect 0.101329118 . . . . . 52713 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52713 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Full length apo Alkbh7' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 52713 1 2 '3D HNCO' . . . 52713 1 3 '3D HNCA' . . . 52713 1 4 '3D HNCACB' . . . 52713 1 5 '3D HN(CO)CACB' . . . 52713 1 6 '3D HN(CO)CA' . . . 52713 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52713 1 2 $software_2 . . 52713 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET CA C 13 54.858 0.00 . 1 . . . . . 1 MET CA . 52713 1 2 . 1 . 1 1 1 MET CB C 13 32.003 0.00 . 1 . . . . . 1 MET CB . 52713 1 3 . 1 . 1 2 2 ALA H H 1 8.355 0.00 . 1 . . . . . 2 ALA H . 52713 1 4 . 1 . 1 2 2 ALA C C 13 175.652 0.00 . 1 . . . . . 2 ALA C . 52713 1 5 . 1 . 1 2 2 ALA CA C 13 52.150 0.00 . 1 . . . . . 2 ALA CA . 52713 1 6 . 1 . 1 2 2 ALA CB C 13 18.260 0.00 . 1 . . . . . 2 ALA CB . 52713 1 7 . 1 . 1 2 2 ALA N N 15 126.632 0.03 . 1 . . . . . 2 ALA N . 52713 1 8 . 1 . 1 3 3 GLY H H 1 8.327 0.00 . 1 . . . . . 3 GLY H . 52713 1 9 . 1 . 1 3 3 GLY C C 13 178.123 0.00 . 1 . . . . . 3 GLY C . 52713 1 10 . 1 . 1 3 3 GLY CA C 13 44.871 0.01 . 1 . . . . . 3 GLY CA . 52713 1 11 . 1 . 1 3 3 GLY N N 15 109.017 0.03 . 1 . . . . . 3 GLY N . 52713 1 12 . 1 . 1 4 4 THR H H 1 7.976 0.00 . 1 . . . . . 4 THR H . 52713 1 13 . 1 . 1 4 4 THR C C 13 174.452 0.00 . 1 . . . . . 4 THR C . 52713 1 14 . 1 . 1 4 4 THR CA C 13 61.419 0.01 . 1 . . . . . 4 THR CA . 52713 1 15 . 1 . 1 4 4 THR CB C 13 69.417 0.00 . 1 . . . . . 4 THR CB . 52713 1 16 . 1 . 1 4 4 THR N N 15 113.273 0.03 . 1 . . . . . 4 THR N . 52713 1 17 . 1 . 1 5 5 GLY H H 1 8.389 0.00 . 1 . . . . . 5 GLY H . 52713 1 18 . 1 . 1 5 5 GLY C C 13 175.358 0.00 . 1 . . . . . 5 GLY C . 52713 1 19 . 1 . 1 5 5 GLY CA C 13 44.931 0.00 . 1 . . . . . 5 GLY CA . 52713 1 20 . 1 . 1 5 5 GLY N N 15 111.706 0.03 . 1 . . . . . 5 GLY N . 52713 1 21 . 1 . 1 6 6 LEU CA C 13 55.014 0.00 . 1 . . . . . 6 LEU CA . 52713 1 22 . 1 . 1 6 6 LEU CB C 13 41.133 0.00 . 1 . . . . . 6 LEU CB . 52713 1 23 . 1 . 1 7 7 LEU H H 1 8.060 0.00 . 1 . . . . . 7 LEU H . 52713 1 24 . 1 . 1 7 7 LEU C C 13 177.661 0.00 . 1 . . . . . 7 LEU C . 52713 1 25 . 1 . 1 7 7 LEU CA C 13 54.820 0.05 . 1 . . . . . 7 LEU CA . 52713 1 26 . 1 . 1 7 7 LEU CB C 13 41.152 0.02 . 1 . . . . . 7 LEU CB . 52713 1 27 . 1 . 1 7 7 LEU N N 15 122.878 0.05 . 1 . . . . . 7 LEU N . 52713 1 28 . 1 . 1 8 8 ALA H H 1 7.986 0.00 . 1 . . . . . 8 ALA H . 52713 1 29 . 1 . 1 8 8 ALA C C 13 177.192 0.00 . 1 . . . . . 8 ALA C . 52713 1 30 . 1 . 1 8 8 ALA CA C 13 51.920 0.01 . 1 . . . . . 8 ALA CA . 52713 1 31 . 1 . 1 8 8 ALA CB C 13 18.246 0.00 . 1 . . . . . 8 ALA CB . 52713 1 32 . 1 . 1 8 8 ALA N N 15 124.853 0.05 . 1 . . . . . 8 ALA N . 52713 1 33 . 1 . 1 9 9 LEU H H 1 7.933 0.00 . 1 . . . . . 9 LEU H . 52713 1 34 . 1 . 1 9 9 LEU C C 13 177.540 0.00 . 1 . . . . . 9 LEU C . 52713 1 35 . 1 . 1 9 9 LEU CA C 13 54.708 0.00 . 1 . . . . . 9 LEU CA . 52713 1 36 . 1 . 1 9 9 LEU CB C 13 41.192 0.02 . 1 . . . . . 9 LEU CB . 52713 1 37 . 1 . 1 9 9 LEU N N 15 121.554 0.00 . 1 . . . . . 9 LEU N . 52713 1 38 . 1 . 1 10 10 ARG H H 1 8.151 0.00 . 1 . . . . . 10 ARG H . 52713 1 39 . 1 . 1 10 10 ARG C C 13 177.361 0.00 . 1 . . . . . 10 ARG C . 52713 1 40 . 1 . 1 10 10 ARG CA C 13 55.542 0.00 . 1 . . . . . 10 ARG CA . 52713 1 41 . 1 . 1 10 10 ARG CB C 13 29.772 0.07 . 1 . . . . . 10 ARG CB . 52713 1 42 . 1 . 1 10 10 ARG N N 15 122.125 0.03 . 1 . . . . . 10 ARG N . 52713 1 43 . 1 . 1 11 11 THR H H 1 8.037 0.00 . 1 . . . . . 11 THR H . 52713 1 44 . 1 . 1 11 11 THR C C 13 176.202 0.00 . 1 . . . . . 11 THR C . 52713 1 45 . 1 . 1 11 11 THR CA C 13 61.233 0.01 . 1 . . . . . 11 THR CA . 52713 1 46 . 1 . 1 11 11 THR CB C 13 69.325 0.01 . 1 . . . . . 11 THR CB . 52713 1 47 . 1 . 1 11 11 THR N N 15 116.556 0.02 . 1 . . . . . 11 THR N . 52713 1 48 . 1 . 1 12 12 LEU H H 1 8.212 0.00 . 1 . . . . . 12 LEU H . 52713 1 49 . 1 . 1 12 12 LEU C C 13 174.086 0.00 . 1 . . . . . 12 LEU C . 52713 1 50 . 1 . 1 12 12 LEU CA C 13 52.523 0.00 . 1 . . . . . 12 LEU CA . 52713 1 51 . 1 . 1 12 12 LEU CB C 13 40.624 0.00 . 1 . . . . . 12 LEU CB . 52713 1 52 . 1 . 1 12 12 LEU N N 15 126.926 0.02 . 1 . . . . . 12 LEU N . 52713 1 53 . 1 . 1 17 17 TRP CA C 13 56.155 0.00 . 1 . . . . . 17 TRP CA . 52713 1 54 . 1 . 1 17 17 TRP CB C 13 28.951 0.00 . 1 . . . . . 17 TRP CB . 52713 1 55 . 1 . 1 18 18 VAL H H 1 7.281 0.00 . 1 . . . . . 18 VAL H . 52713 1 56 . 1 . 1 18 18 VAL C C 13 173.814 0.00 . 1 . . . . . 18 VAL C . 52713 1 57 . 1 . 1 18 18 VAL CA C 13 59.331 0.08 . 1 . . . . . 18 VAL CA . 52713 1 58 . 1 . 1 18 18 VAL CB C 13 33.620 0.19 . 1 . . . . . 18 VAL CB . 52713 1 59 . 1 . 1 18 18 VAL N N 15 117.765 0.06 . 1 . . . . . 18 VAL N . 52713 1 60 . 1 . 1 19 19 ARG H H 1 9.131 0.01 . 1 . . . . . 19 ARG H . 52713 1 61 . 1 . 1 19 19 ARG C C 13 174.374 0.00 . 1 . . . . . 19 ARG C . 52713 1 62 . 1 . 1 19 19 ARG CA C 13 53.840 0.15 . 1 . . . . . 19 ARG CA . 52713 1 63 . 1 . 1 19 19 ARG CB C 13 32.847 0.00 . 1 . . . . . 19 ARG CB . 52713 1 64 . 1 . 1 19 19 ARG N N 15 125.475 0.02 . 1 . . . . . 19 ARG N . 52713 1 65 . 1 . 1 20 20 GLY H H 1 8.726 0.00 . 1 . . . . . 20 GLY H . 52713 1 66 . 1 . 1 20 20 GLY C C 13 174.183 0.00 . 1 . . . . . 20 GLY C . 52713 1 67 . 1 . 1 20 20 GLY CA C 13 44.441 0.00 . 1 . . . . . 20 GLY CA . 52713 1 68 . 1 . 1 20 20 GLY N N 15 107.052 0.02 . 1 . . . . . 20 GLY N . 52713 1 69 . 1 . 1 21 21 SER H H 1 7.461 0.00 . 1 . . . . . 21 SER H . 52713 1 70 . 1 . 1 21 21 SER C C 13 172.486 0.00 . 1 . . . . . 21 SER C . 52713 1 71 . 1 . 1 21 21 SER CA C 13 59.519 0.00 . 1 . . . . . 21 SER CA . 52713 1 72 . 1 . 1 21 21 SER CB C 13 61.277 0.02 . 1 . . . . . 21 SER CB . 52713 1 73 . 1 . 1 21 21 SER N N 15 114.536 0.02 . 1 . . . . . 21 SER N . 52713 1 74 . 1 . 1 22 22 GLY H H 1 6.760 0.00 . 1 . . . . . 22 GLY H . 52713 1 75 . 1 . 1 22 22 GLY C C 13 174.761 0.00 . 1 . . . . . 22 GLY C . 52713 1 76 . 1 . 1 22 22 GLY CA C 13 44.588 0.00 . 1 . . . . . 22 GLY CA . 52713 1 77 . 1 . 1 22 22 GLY N N 15 107.715 0.01 . 1 . . . . . 22 GLY N . 52713 1 78 . 1 . 1 24 24 SER CA C 13 61.114 0.00 . 1 . . . . . 24 SER CA . 52713 1 79 . 1 . 1 25 25 VAL H H 1 7.569 0.00 . 1 . . . . . 25 VAL H . 52713 1 80 . 1 . 1 25 25 VAL C C 13 177.053 0.00 . 1 . . . . . 25 VAL C . 52713 1 81 . 1 . 1 25 25 VAL CA C 13 64.592 0.00 . 1 . . . . . 25 VAL CA . 52713 1 82 . 1 . 1 25 25 VAL CB C 13 30.377 0.00 . 1 . . . . . 25 VAL CB . 52713 1 83 . 1 . 1 25 25 VAL N N 15 123.212 0.01 . 1 . . . . . 25 VAL N . 52713 1 84 . 1 . 1 26 26 LEU H H 1 6.745 0.00 . 1 . . . . . 26 LEU H . 52713 1 85 . 1 . 1 26 26 LEU C C 13 176.238 0.00 . 1 . . . . . 26 LEU C . 52713 1 86 . 1 . 1 26 26 LEU CA C 13 57.281 0.00 . 1 . . . . . 26 LEU CA . 52713 1 87 . 1 . 1 26 26 LEU CB C 13 40.529 0.03 . 1 . . . . . 26 LEU CB . 52713 1 88 . 1 . 1 26 26 LEU N N 15 120.760 0.00 . 1 . . . . . 26 LEU N . 52713 1 89 . 1 . 1 27 27 SER H H 1 7.745 0.00 . 1 . . . . . 27 SER H . 52713 1 90 . 1 . 1 27 27 SER C C 13 179.558 0.00 . 1 . . . . . 27 SER C . 52713 1 91 . 1 . 1 27 27 SER CA C 13 60.403 0.01 . 1 . . . . . 27 SER CA . 52713 1 92 . 1 . 1 27 27 SER CB C 13 62.210 0.00 . 1 . . . . . 27 SER CB . 52713 1 93 . 1 . 1 27 27 SER N N 15 112.325 0.01 . 1 . . . . . 27 SER N . 52713 1 94 . 1 . 1 28 28 ARG H H 1 8.137 0.01 . 1 . . . . . 28 ARG H . 52713 1 95 . 1 . 1 28 28 ARG C C 13 177.843 0.00 . 1 . . . . . 28 ARG C . 52713 1 96 . 1 . 1 28 28 ARG CA C 13 58.598 0.01 . 1 . . . . . 28 ARG CA . 52713 1 97 . 1 . 1 28 28 ARG CB C 13 29.982 0.28 . 1 . . . . . 28 ARG CB . 52713 1 98 . 1 . 1 28 28 ARG N N 15 122.067 0.04 . 1 . . . . . 28 ARG N . 52713 1 99 . 1 . 1 29 29 LEU H H 1 7.656 0.00 . 1 . . . . . 29 LEU H . 52713 1 100 . 1 . 1 29 29 LEU C C 13 178.707 0.00 . 1 . . . . . 29 LEU C . 52713 1 101 . 1 . 1 29 29 LEU CA C 13 53.578 0.00 . 1 . . . . . 29 LEU CA . 52713 1 102 . 1 . 1 29 29 LEU CB C 13 39.971 0.02 . 1 . . . . . 29 LEU CB . 52713 1 103 . 1 . 1 29 29 LEU N N 15 115.642 0.02 . 1 . . . . . 29 LEU N . 52713 1 104 . 1 . 1 30 30 GLN H H 1 7.159 0.00 . 1 . . . . . 30 GLN H . 52713 1 105 . 1 . 1 30 30 GLN C C 13 177.569 0.00 . 1 . . . . . 30 GLN C . 52713 1 106 . 1 . 1 30 30 GLN CA C 13 59.095 0.00 . 1 . . . . . 30 GLN CA . 52713 1 107 . 1 . 1 30 30 GLN CB C 13 28.145 0.01 . 1 . . . . . 30 GLN CB . 52713 1 108 . 1 . 1 30 30 GLN N N 15 122.964 0.03 . 1 . . . . . 30 GLN N . 52713 1 109 . 1 . 1 31 31 ASP H H 1 8.630 0.05 . 1 . . . . . 31 ASP H . 52713 1 110 . 1 . 1 31 31 ASP C C 13 176.455 0.00 . 1 . . . . . 31 ASP C . 52713 1 111 . 1 . 1 31 31 ASP CA C 13 53.870 0.00 . 1 . . . . . 31 ASP CA . 52713 1 112 . 1 . 1 31 31 ASP CB C 13 40.933 0.02 . 1 . . . . . 31 ASP CB . 52713 1 113 . 1 . 1 31 31 ASP N N 15 117.052 0.06 . 1 . . . . . 31 ASP N . 52713 1 114 . 1 . 1 32 32 ALA H H 1 7.550 0.00 . 1 . . . . . 32 ALA H . 52713 1 115 . 1 . 1 32 32 ALA C C 13 174.794 0.00 . 1 . . . . . 32 ALA C . 52713 1 116 . 1 . 1 32 32 ALA CA C 13 52.064 0.01 . 1 . . . . . 32 ALA CA . 52713 1 117 . 1 . 1 32 32 ALA CB C 13 20.030 0.01 . 1 . . . . . 32 ALA CB . 52713 1 118 . 1 . 1 32 32 ALA N N 15 123.939 0.03 . 1 . . . . . 32 ALA N . 52713 1 119 . 1 . 1 33 33 ALA H H 1 7.291 0.00 . 1 . . . . . 33 ALA H . 52713 1 120 . 1 . 1 33 33 ALA C C 13 174.151 0.00 . 1 . . . . . 33 ALA C . 52713 1 121 . 1 . 1 33 33 ALA CA C 13 49.863 0.01 . 1 . . . . . 33 ALA CA . 52713 1 122 . 1 . 1 33 33 ALA CB C 13 19.239 0.12 . 1 . . . . . 33 ALA CB . 52713 1 123 . 1 . 1 33 33 ALA N N 15 121.428 0.01 . 1 . . . . . 33 ALA N . 52713 1 124 . 1 . 1 34 34 VAL H H 1 8.436 0.00 . 1 . . . . . 34 VAL H . 52713 1 125 . 1 . 1 34 34 VAL C C 13 173.956 0.00 . 1 . . . . . 34 VAL C . 52713 1 126 . 1 . 1 34 34 VAL CA C 13 59.641 0.00 . 1 . . . . . 34 VAL CA . 52713 1 127 . 1 . 1 34 34 VAL CB C 13 35.767 0.00 . 1 . . . . . 34 VAL CB . 52713 1 128 . 1 . 1 34 34 VAL N N 15 119.973 0.04 . 1 . . . . . 34 VAL N . 52713 1 129 . 1 . 1 35 35 VAL H H 1 7.081 0.00 . 1 . . . . . 35 VAL H . 52713 1 130 . 1 . 1 35 35 VAL C C 13 171.438 0.00 . 1 . . . . . 35 VAL C . 52713 1 131 . 1 . 1 35 35 VAL CA C 13 60.445 9.23 . 1 . . . . . 35 VAL CA . 52713 1 132 . 1 . 1 35 35 VAL CB C 13 37.914 0.00 . 1 . . . . . 35 VAL CB . 52713 1 133 . 1 . 1 35 35 VAL N N 15 123.284 0.02 . 1 . . . . . 35 VAL N . 52713 1 134 . 1 . 1 36 36 ARG H H 1 9.187 0.00 . 1 . . . . . 36 ARG H . 52713 1 135 . 1 . 1 36 36 ARG C C 13 177.500 0.00 . 1 . . . . . 36 ARG C . 52713 1 136 . 1 . 1 36 36 ARG CA C 13 55.755 0.00 . 1 . . . . . 36 ARG CA . 52713 1 137 . 1 . 1 36 36 ARG CB C 13 27.428 0.00 . 1 . . . . . 36 ARG CB . 52713 1 138 . 1 . 1 36 36 ARG N N 15 126.080 0.02 . 1 . . . . . 36 ARG N . 52713 1 139 . 1 . 1 37 37 PRO CA C 13 61.644 0.00 . 1 . . . . . 37 PRO CA . 52713 1 140 . 1 . 1 37 37 PRO CB C 13 30.941 0.00 . 1 . . . . . 37 PRO CB . 52713 1 141 . 1 . 1 38 38 GLY H H 1 9.701 0.00 . 1 . . . . . 38 GLY H . 52713 1 142 . 1 . 1 38 38 GLY C C 13 178.524 0.00 . 1 . . . . . 38 GLY C . 52713 1 143 . 1 . 1 38 38 GLY CA C 13 46.116 0.00 . 1 . . . . . 38 GLY CA . 52713 1 144 . 1 . 1 38 38 GLY N N 15 113.146 0.00 . 1 . . . . . 38 GLY N . 52713 1 145 . 1 . 1 39 39 PHE H H 1 7.128 0.00 . 1 . . . . . 39 PHE H . 52713 1 146 . 1 . 1 39 39 PHE C C 13 173.727 0.00 . 1 . . . . . 39 PHE C . 52713 1 147 . 1 . 1 39 39 PHE CA C 13 61.114 0.01 . 1 . . . . . 39 PHE CA . 52713 1 148 . 1 . 1 39 39 PHE CB C 13 39.647 0.00 . 1 . . . . . 39 PHE CB . 52713 1 149 . 1 . 1 39 39 PHE N N 15 121.775 0.01 . 1 . . . . . 39 PHE N . 52713 1 150 . 1 . 1 40 40 LEU H H 1 8.380 0.00 . 1 . . . . . 40 LEU H . 52713 1 151 . 1 . 1 40 40 LEU C C 13 176.879 0.00 . 1 . . . . . 40 LEU C . 52713 1 152 . 1 . 1 40 40 LEU CA C 13 51.636 0.01 . 1 . . . . . 40 LEU CA . 52713 1 153 . 1 . 1 40 40 LEU CB C 13 42.061 0.00 . 1 . . . . . 40 LEU CB . 52713 1 154 . 1 . 1 40 40 LEU N N 15 114.798 0.00 . 1 . . . . . 40 LEU N . 52713 1 155 . 1 . 1 41 41 SER H H 1 9.445 0.00 . 1 . . . . . 41 SER H . 52713 1 156 . 1 . 1 41 41 SER C C 13 177.039 0.00 . 1 . . . . . 41 SER C . 52713 1 157 . 1 . 1 41 41 SER CA C 13 56.191 0.00 . 1 . . . . . 41 SER CA . 52713 1 158 . 1 . 1 41 41 SER CB C 13 64.947 0.00 . 1 . . . . . 41 SER CB . 52713 1 159 . 1 . 1 41 41 SER N N 15 119.303 0.01 . 1 . . . . . 41 SER N . 52713 1 160 . 1 . 1 42 42 THR H H 1 8.705 0.00 . 1 . . . . . 42 THR H . 52713 1 161 . 1 . 1 42 42 THR C C 13 175.745 0.00 . 1 . . . . . 42 THR C . 52713 1 162 . 1 . 1 42 42 THR CA C 13 65.992 0.00 . 1 . . . . . 42 THR CA . 52713 1 163 . 1 . 1 42 42 THR CB C 13 67.779 0.02 . 1 . . . . . 42 THR CB . 52713 1 164 . 1 . 1 42 42 THR N N 15 117.538 0.01 . 1 . . . . . 42 THR N . 52713 1 165 . 1 . 1 43 43 ALA H H 1 8.059 0.00 . 1 . . . . . 43 ALA H . 52713 1 166 . 1 . 1 43 43 ALA C C 13 176.954 0.00 . 1 . . . . . 43 ALA C . 52713 1 167 . 1 . 1 43 43 ALA CA C 13 54.493 0.01 . 1 . . . . . 43 ALA CA . 52713 1 168 . 1 . 1 43 43 ALA CB C 13 17.331 0.02 . 1 . . . . . 43 ALA CB . 52713 1 169 . 1 . 1 43 43 ALA N N 15 123.415 0.03 . 1 . . . . . 43 ALA N . 52713 1 170 . 1 . 1 44 44 GLU H H 1 7.743 0.00 . 1 . . . . . 44 GLU H . 52713 1 171 . 1 . 1 44 44 GLU C C 13 180.956 0.00 . 1 . . . . . 44 GLU C . 52713 1 172 . 1 . 1 44 44 GLU CA C 13 58.620 0.00 . 1 . . . . . 44 GLU CA . 52713 1 173 . 1 . 1 44 44 GLU CB C 13 31.059 0.06 . 1 . . . . . 44 GLU CB . 52713 1 174 . 1 . 1 44 44 GLU N N 15 120.615 0.02 . 1 . . . . . 44 GLU N . 52713 1 175 . 1 . 1 45 45 GLU H H 1 8.316 0.00 . 1 . . . . . 45 GLU H . 52713 1 176 . 1 . 1 45 45 GLU C C 13 178.652 0.00 . 1 . . . . . 45 GLU C . 52713 1 177 . 1 . 1 45 45 GLU CA C 13 59.945 0.00 . 1 . . . . . 45 GLU CA . 52713 1 178 . 1 . 1 45 45 GLU CB C 13 29.339 0.05 . 1 . . . . . 45 GLU CB . 52713 1 179 . 1 . 1 45 45 GLU N N 15 119.603 0.01 . 1 . . . . . 45 GLU N . 52713 1 180 . 1 . 1 46 46 GLU H H 1 7.998 0.00 . 1 . . . . . 46 GLU H . 52713 1 181 . 1 . 1 46 46 GLU C C 13 179.311 0.00 . 1 . . . . . 46 GLU C . 52713 1 182 . 1 . 1 46 46 GLU CA C 13 58.675 0.01 . 1 . . . . . 46 GLU CA . 52713 1 183 . 1 . 1 46 46 GLU CB C 13 28.491 0.11 . 1 . . . . . 46 GLU CB . 52713 1 184 . 1 . 1 46 46 GLU N N 15 120.290 0.01 . 1 . . . . . 46 GLU N . 52713 1 185 . 1 . 1 47 47 THR H H 1 8.242 0.00 . 1 . . . . . 47 THR H . 52713 1 186 . 1 . 1 47 47 THR C C 13 178.199 0.00 . 1 . . . . . 47 THR C . 52713 1 187 . 1 . 1 47 47 THR CA C 13 66.345 0.00 . 1 . . . . . 47 THR CA . 52713 1 188 . 1 . 1 47 47 THR CB C 13 68.413 0.14 . 1 . . . . . 47 THR CB . 52713 1 189 . 1 . 1 47 47 THR N N 15 118.541 0.01 . 1 . . . . . 47 THR N . 52713 1 190 . 1 . 1 48 48 LEU H H 1 7.576 0.00 . 1 . . . . . 48 LEU H . 52713 1 191 . 1 . 1 48 48 LEU C C 13 176.865 0.00 . 1 . . . . . 48 LEU C . 52713 1 192 . 1 . 1 48 48 LEU CA C 13 57.480 0.02 . 1 . . . . . 48 LEU CA . 52713 1 193 . 1 . 1 48 48 LEU CB C 13 42.174 0.02 . 1 . . . . . 48 LEU CB . 52713 1 194 . 1 . 1 48 48 LEU N N 15 119.500 0.01 . 1 . . . . . 48 LEU N . 52713 1 195 . 1 . 1 49 49 SER H H 1 8.257 0.00 . 1 . . . . . 49 SER H . 52713 1 196 . 1 . 1 49 49 SER C C 13 178.534 0.00 . 1 . . . . . 49 SER C . 52713 1 197 . 1 . 1 49 49 SER CA C 13 62.468 0.00 . 1 . . . . . 49 SER CA . 52713 1 198 . 1 . 1 49 49 SER CB C 13 61.712 0.15 . 1 . . . . . 49 SER CB . 52713 1 199 . 1 . 1 49 49 SER N N 15 114.198 0.02 . 1 . . . . . 49 SER N . 52713 1 200 . 1 . 1 50 50 ARG H H 1 8.518 0.00 . 1 . . . . . 50 ARG H . 52713 1 201 . 1 . 1 50 50 ARG C C 13 176.961 0.00 . 1 . . . . . 50 ARG C . 52713 1 202 . 1 . 1 50 50 ARG CA C 13 58.600 0.00 . 1 . . . . . 50 ARG CA . 52713 1 203 . 1 . 1 50 50 ARG CB C 13 29.199 0.00 . 1 . . . . . 50 ARG CB . 52713 1 204 . 1 . 1 50 50 ARG N N 15 120.855 0.01 . 1 . . . . . 50 ARG N . 52713 1 205 . 1 . 1 51 51 GLU H H 1 7.541 0.00 . 1 . . . . . 51 GLU H . 52713 1 206 . 1 . 1 51 51 GLU C C 13 179.012 0.00 . 1 . . . . . 51 GLU C . 52713 1 207 . 1 . 1 51 51 GLU CA C 13 58.475 0.02 . 1 . . . . . 51 GLU CA . 52713 1 208 . 1 . 1 51 51 GLU CB C 13 28.838 0.07 . 1 . . . . . 51 GLU CB . 52713 1 209 . 1 . 1 51 51 GLU N N 15 119.406 0.01 . 1 . . . . . 51 GLU N . 52713 1 210 . 1 . 1 52 52 LEU H H 1 7.731 0.00 . 1 . . . . . 52 LEU H . 52713 1 211 . 1 . 1 52 52 LEU C C 13 178.344 0.00 . 1 . . . . . 52 LEU C . 52713 1 212 . 1 . 1 52 52 LEU CA C 13 55.528 0.00 . 1 . . . . . 52 LEU CA . 52713 1 213 . 1 . 1 52 52 LEU CB C 13 42.425 0.00 . 1 . . . . . 52 LEU CB . 52713 1 214 . 1 . 1 52 52 LEU N N 15 116.323 0.02 . 1 . . . . . 52 LEU N . 52713 1 215 . 1 . 1 71 71 HIS CB C 13 32.249 0.00 . 1 . . . . . 71 HIS CB . 52713 1 216 . 1 . 1 72 72 GLY H H 1 8.194 0.00 . 1 . . . . . 72 GLY H . 52713 1 217 . 1 . 1 72 72 GLY C C 13 176.259 0.00 . 1 . . . . . 72 GLY C . 52713 1 218 . 1 . 1 72 72 GLY CA C 13 43.760 0.00 . 1 . . . . . 72 GLY CA . 52713 1 219 . 1 . 1 72 72 GLY N N 15 110.424 0.02 . 1 . . . . . 72 GLY N . 52713 1 220 . 1 . 1 75 75 GLU CA C 13 55.936 0.00 . 1 . . . . . 75 GLU CA . 52713 1 221 . 1 . 1 75 75 GLU CB C 13 29.438 0.00 . 1 . . . . . 75 GLU CB . 52713 1 222 . 1 . 1 76 76 THR H H 1 8.406 0.00 . 1 . . . . . 76 THR H . 52713 1 223 . 1 . 1 76 76 THR C C 13 176.809 0.00 . 1 . . . . . 76 THR C . 52713 1 224 . 1 . 1 76 76 THR CA C 13 57.903 0.32 . 1 . . . . . 76 THR CA . 52713 1 225 . 1 . 1 76 76 THR CB C 13 63.606 0.51 . 1 . . . . . 76 THR CB . 52713 1 226 . 1 . 1 76 76 THR N N 15 117.622 0.03 . 1 . . . . . 76 THR N . 52713 1 227 . 1 . 1 77 77 GLU H H 1 7.342 0.00 . 1 . . . . . 77 GLU H . 52713 1 228 . 1 . 1 77 77 GLU C C 13 173.568 0.00 . 1 . . . . . 77 GLU C . 52713 1 229 . 1 . 1 77 77 GLU CA C 13 54.962 0.09 . 1 . . . . . 77 GLU CA . 52713 1 230 . 1 . 1 77 77 GLU CB C 13 30.105 0.00 . 1 . . . . . 77 GLU CB . 52713 1 231 . 1 . 1 77 77 GLU N N 15 125.649 0.02 . 1 . . . . . 77 GLU N . 52713 1 232 . 1 . 1 78 78 LYS H H 1 8.108 0.00 . 1 . . . . . 78 LYS H . 52713 1 233 . 1 . 1 78 78 LYS C C 13 173.443 0.00 . 1 . . . . . 78 LYS C . 52713 1 234 . 1 . 1 78 78 LYS CA C 13 54.789 0.03 . 1 . . . . . 78 LYS CA . 52713 1 235 . 1 . 1 78 78 LYS CB C 13 33.264 0.01 . 1 . . . . . 78 LYS CB . 52713 1 236 . 1 . 1 78 78 LYS N N 15 123.260 0.05 . 1 . . . . . 78 LYS N . 52713 1 237 . 1 . 1 79 79 SER H H 1 10.089 0.00 . 1 . . . . . 79 SER H . 52713 1 238 . 1 . 1 79 79 SER C C 13 176.465 0.00 . 1 . . . . . 79 SER C . 52713 1 239 . 1 . 1 79 79 SER CA C 13 58.252 0.00 . 1 . . . . . 79 SER CA . 52713 1 240 . 1 . 1 79 79 SER CB C 13 63.517 0.00 . 1 . . . . . 79 SER CB . 52713 1 241 . 1 . 1 79 79 SER N N 15 120.326 0.01 . 1 . . . . . 79 SER N . 52713 1 242 . 1 . 1 82 82 SER CA C 13 58.239 0.00 . 1 . . . . . 82 SER CA . 52713 1 243 . 1 . 1 82 82 SER CB C 13 63.526 0.00 . 1 . . . . . 82 SER CB . 52713 1 244 . 1 . 1 83 83 GLU H H 1 8.924 0.00 . 1 . . . . . 83 GLU H . 52713 1 245 . 1 . 1 83 83 GLU C C 13 174.419 0.00 . 1 . . . . . 83 GLU C . 52713 1 246 . 1 . 1 83 83 GLU CA C 13 59.663 0.00 . 1 . . . . . 83 GLU CA . 52713 1 247 . 1 . 1 83 83 GLU CB C 13 28.359 0.01 . 1 . . . . . 83 GLU CB . 52713 1 248 . 1 . 1 83 83 GLU N N 15 121.918 0.01 . 1 . . . . . 83 GLU N . 52713 1 249 . 1 . 1 84 84 ALA H H 1 8.520 0.00 . 1 . . . . . 84 ALA H . 52713 1 250 . 1 . 1 84 84 ALA C C 13 179.419 0.00 . 1 . . . . . 84 ALA C . 52713 1 251 . 1 . 1 84 84 ALA CA C 13 54.573 0.00 . 1 . . . . . 84 ALA CA . 52713 1 252 . 1 . 1 84 84 ALA CB C 13 18.080 0.00 . 1 . . . . . 84 ALA CB . 52713 1 253 . 1 . 1 84 84 ALA N N 15 121.706 0.01 . 1 . . . . . 84 ALA N . 52713 1 254 . 1 . 1 85 85 SER H H 1 7.920 0.00 . 1 . . . . . 85 SER H . 52713 1 255 . 1 . 1 85 85 SER C C 13 181.408 0.00 . 1 . . . . . 85 SER C . 52713 1 256 . 1 . 1 85 85 SER CA C 13 62.516 0.01 . 1 . . . . . 85 SER CA . 52713 1 257 . 1 . 1 85 85 SER CB C 13 63.283 0.00 . 1 . . . . . 85 SER CB . 52713 1 258 . 1 . 1 85 85 SER N N 15 117.930 0.01 . 1 . . . . . 85 SER N . 52713 1 259 . 1 . 1 86 86 ARG H H 1 9.026 0.00 . 1 . . . . . 86 ARG H . 52713 1 260 . 1 . 1 86 86 ARG C C 13 176.542 0.00 . 1 . . . . . 86 ARG C . 52713 1 261 . 1 . 1 86 86 ARG CA C 13 59.169 0.00 . 1 . . . . . 86 ARG CA . 52713 1 262 . 1 . 1 86 86 ARG CB C 13 28.366 0.01 . 1 . . . . . 86 ARG CB . 52713 1 263 . 1 . 1 86 86 ARG N N 15 124.550 0.02 . 1 . . . . . 86 ARG N . 52713 1 264 . 1 . 1 87 87 ALA H H 1 7.561 0.00 . 1 . . . . . 87 ALA H . 52713 1 265 . 1 . 1 87 87 ALA C C 13 178.569 0.00 . 1 . . . . . 87 ALA C . 52713 1 266 . 1 . 1 87 87 ALA CA C 13 54.550 0.01 . 1 . . . . . 87 ALA CA . 52713 1 267 . 1 . 1 87 87 ALA CB C 13 16.563 0.06 . 1 . . . . . 87 ALA CB . 52713 1 268 . 1 . 1 87 87 ALA N N 15 120.839 0.01 . 1 . . . . . 87 ALA N . 52713 1 269 . 1 . 1 88 88 ILE H H 1 6.948 0.00 . 1 . . . . . 88 ILE H . 52713 1 270 . 1 . 1 88 88 ILE C C 13 180.780 0.00 . 1 . . . . . 88 ILE C . 52713 1 271 . 1 . 1 88 88 ILE CA C 13 65.081 0.00 . 1 . . . . . 88 ILE CA . 52713 1 272 . 1 . 1 88 88 ILE CB C 13 37.365 0.00 . 1 . . . . . 88 ILE CB . 52713 1 273 . 1 . 1 88 88 ILE N N 15 120.488 0.06 . 1 . . . . . 88 ILE N . 52713 1 274 . 1 . 1 89 89 LEU H H 1 7.863 0.00 . 1 . . . . . 89 LEU H . 52713 1 275 . 1 . 1 89 89 LEU C C 13 178.038 0.00 . 1 . . . . . 89 LEU C . 52713 1 276 . 1 . 1 89 89 LEU CA C 13 57.230 0.02 . 1 . . . . . 89 LEU CA . 52713 1 277 . 1 . 1 89 89 LEU CB C 13 39.313 0.00 . 1 . . . . . 89 LEU CB . 52713 1 278 . 1 . 1 89 89 LEU N N 15 120.226 0.03 . 1 . . . . . 89 LEU N . 52713 1 279 . 1 . 1 90 90 GLN H H 1 8.341 0.00 . 1 . . . . . 90 GLN H . 52713 1 280 . 1 . 1 90 90 GLN C C 13 179.774 0.00 . 1 . . . . . 90 GLN C . 52713 1 281 . 1 . 1 90 90 GLN CA C 13 58.394 0.00 . 1 . . . . . 90 GLN CA . 52713 1 282 . 1 . 1 90 90 GLN CB C 13 27.175 0.02 . 1 . . . . . 90 GLN CB . 52713 1 283 . 1 . 1 90 90 GLN N N 15 120.323 0.01 . 1 . . . . . 90 GLN N . 52713 1 284 . 1 . 1 91 91 ARG H H 1 7.474 0.00 . 1 . . . . . 91 ARG H . 52713 1 285 . 1 . 1 91 91 ARG C C 13 178.967 0.00 . 1 . . . . . 91 ARG C . 52713 1 286 . 1 . 1 91 91 ARG CA C 13 59.663 0.01 . 1 . . . . . 91 ARG CA . 52713 1 287 . 1 . 1 91 91 ARG CB C 13 28.902 0.01 . 1 . . . . . 91 ARG CB . 52713 1 288 . 1 . 1 91 91 ARG N N 15 121.292 0.00 . 1 . . . . . 91 ARG N . 52713 1 289 . 1 . 1 92 92 VAL H H 1 7.930 0.01 . 1 . . . . . 92 VAL H . 52713 1 290 . 1 . 1 92 92 VAL C C 13 180.691 0.00 . 1 . . . . . 92 VAL C . 52713 1 291 . 1 . 1 92 92 VAL CA C 13 66.429 0.02 . 1 . . . . . 92 VAL CA . 52713 1 292 . 1 . 1 92 92 VAL CB C 13 30.322 0.19 . 1 . . . . . 92 VAL CB . 52713 1 293 . 1 . 1 92 92 VAL N N 15 121.621 0.02 . 1 . . . . . 92 VAL N . 52713 1 294 . 1 . 1 93 93 GLN H H 1 8.224 0.00 . 1 . . . . . 93 GLN H . 52713 1 295 . 1 . 1 93 93 GLN C C 13 177.181 0.00 . 1 . . . . . 93 GLN C . 52713 1 296 . 1 . 1 93 93 GLN CA C 13 59.010 0.00 . 1 . . . . . 93 GLN CA . 52713 1 297 . 1 . 1 93 93 GLN CB C 13 27.236 0.00 . 1 . . . . . 93 GLN CB . 52713 1 298 . 1 . 1 93 93 GLN N N 15 119.666 0.01 . 1 . . . . . 93 GLN N . 52713 1 299 . 1 . 1 94 94 ALA CA C 13 53.840 0.00 . 1 . . . . . 94 ALA CA . 52713 1 300 . 1 . 1 94 94 ALA CB C 13 17.357 0.00 . 1 . . . . . 94 ALA CB . 52713 1 301 . 1 . 1 95 95 ALA H H 1 7.632 0.00 . 1 . . . . . 95 ALA H . 52713 1 302 . 1 . 1 95 95 ALA C C 13 179.358 0.00 . 1 . . . . . 95 ALA C . 52713 1 303 . 1 . 1 95 95 ALA CA C 13 53.371 0.02 . 1 . . . . . 95 ALA CA . 52713 1 304 . 1 . 1 95 95 ALA CB C 13 18.579 0.00 . 1 . . . . . 95 ALA CB . 52713 1 305 . 1 . 1 95 95 ALA N N 15 118.518 0.03 . 1 . . . . . 95 ALA N . 52713 1 306 . 1 . 1 96 96 ALA H H 1 7.964 0.00 . 1 . . . . . 96 ALA H . 52713 1 307 . 1 . 1 96 96 ALA C C 13 178.802 0.00 . 1 . . . . . 96 ALA C . 52713 1 308 . 1 . 1 96 96 ALA CA C 13 52.322 0.02 . 1 . . . . . 96 ALA CA . 52713 1 309 . 1 . 1 96 96 ALA CB C 13 20.897 0.02 . 1 . . . . . 96 ALA CB . 52713 1 310 . 1 . 1 96 96 ALA N N 15 116.434 0.01 . 1 . . . . . 96 ALA N . 52713 1 311 . 1 . 1 97 97 PHE H H 1 7.760 0.01 . 1 . . . . . 97 PHE H . 52713 1 312 . 1 . 1 97 97 PHE C C 13 175.622 0.00 . 1 . . . . . 97 PHE C . 52713 1 313 . 1 . 1 97 97 PHE CA C 13 59.459 3.19 . 1 . . . . . 97 PHE CA . 52713 1 314 . 1 . 1 97 97 PHE CB C 13 34.859 3.68 . 1 . . . . . 97 PHE CB . 52713 1 315 . 1 . 1 97 97 PHE N N 15 116.189 0.04 . 1 . . . . . 97 PHE N . 52713 1 316 . 1 . 1 98 98 GLY H H 1 8.087 0.00 . 1 . . . . . 98 GLY H . 52713 1 317 . 1 . 1 98 98 GLY C C 13 177.073 0.00 . 1 . . . . . 98 GLY C . 52713 1 318 . 1 . 1 98 98 GLY CA C 13 44.367 0.00 . 1 . . . . . 98 GLY CA . 52713 1 319 . 1 . 1 98 98 GLY N N 15 109.641 0.03 . 1 . . . . . 98 GLY N . 52713 1 320 . 1 . 1 99 99 PRO CA C 13 63.346 0.00 . 1 . . . . . 99 PRO CA . 52713 1 321 . 1 . 1 99 99 PRO CB C 13 30.939 0.00 . 1 . . . . . 99 PRO CB . 52713 1 322 . 1 . 1 100 100 GLY H H 1 8.631 0.00 . 1 . . . . . 100 GLY H . 52713 1 323 . 1 . 1 100 100 GLY C C 13 178.114 0.00 . 1 . . . . . 100 GLY C . 52713 1 324 . 1 . 1 100 100 GLY CA C 13 44.858 0.00 . 1 . . . . . 100 GLY CA . 52713 1 325 . 1 . 1 100 100 GLY N N 15 111.022 0.02 . 1 . . . . . 100 GLY N . 52713 1 326 . 1 . 1 101 101 GLN H H 1 7.823 0.00 . 1 . . . . . 101 GLN H . 52713 1 327 . 1 . 1 101 101 GLN C C 13 174.212 0.00 . 1 . . . . . 101 GLN C . 52713 1 328 . 1 . 1 101 101 GLN CA C 13 54.578 0.00 . 1 . . . . . 101 GLN CA . 52713 1 329 . 1 . 1 101 101 GLN CB C 13 29.232 0.00 . 1 . . . . . 101 GLN CB . 52713 1 330 . 1 . 1 101 101 GLN N N 15 120.178 0.04 . 1 . . . . . 101 GLN N . 52713 1 331 . 1 . 1 102 102 THR CA C 13 61.487 0.00 . 1 . . . . . 102 THR CA . 52713 1 332 . 1 . 1 102 102 THR CB C 13 69.405 0.00 . 1 . . . . . 102 THR CB . 52713 1 333 . 1 . 1 103 103 LEU H H 1 8.231 0.01 . 1 . . . . . 103 LEU H . 52713 1 334 . 1 . 1 103 103 LEU C C 13 173.603 0.00 . 1 . . . . . 103 LEU C . 52713 1 335 . 1 . 1 103 103 LEU CA C 13 54.412 0.06 . 1 . . . . . 103 LEU CA . 52713 1 336 . 1 . 1 103 103 LEU CB C 13 41.551 0.04 . 1 . . . . . 103 LEU CB . 52713 1 337 . 1 . 1 103 103 LEU N N 15 126.531 0.01 . 1 . . . . . 103 LEU N . 52713 1 338 . 1 . 1 104 104 LEU H H 1 8.212 0.00 . 1 . . . . . 104 LEU H . 52713 1 339 . 1 . 1 104 104 LEU C C 13 177.076 0.00 . 1 . . . . . 104 LEU C . 52713 1 340 . 1 . 1 104 104 LEU CA C 13 54.796 0.06 . 1 . . . . . 104 LEU CA . 52713 1 341 . 1 . 1 104 104 LEU CB C 13 41.075 0.26 . 1 . . . . . 104 LEU CB . 52713 1 342 . 1 . 1 104 104 LEU N N 15 124.959 0.02 . 1 . . . . . 104 LEU N . 52713 1 343 . 1 . 1 105 105 SER H H 1 8.401 0.01 . 1 . . . . . 105 SER H . 52713 1 344 . 1 . 1 105 105 SER C C 13 177.411 0.00 . 1 . . . . . 105 SER C . 52713 1 345 . 1 . 1 105 105 SER CA C 13 59.324 0.00 . 1 . . . . . 105 SER CA . 52713 1 346 . 1 . 1 105 105 SER CB C 13 62.956 0.00 . 1 . . . . . 105 SER CB . 52713 1 347 . 1 . 1 105 105 SER N N 15 118.017 0.04 . 1 . . . . . 105 SER N . 52713 1 348 . 1 . 1 110 110 LEU CA C 13 52.203 0.00 . 1 . . . . . 110 LEU CA . 52713 1 349 . 1 . 1 110 110 LEU CB C 13 43.597 0.00 . 1 . . . . . 110 LEU CB . 52713 1 350 . 1 . 1 111 111 ASP H H 1 8.536 0.00 . 1 . . . . . 111 ASP H . 52713 1 351 . 1 . 1 111 111 ASP C C 13 175.119 0.00 . 1 . . . . . 111 ASP C . 52713 1 352 . 1 . 1 111 111 ASP CA C 13 53.853 0.01 . 1 . . . . . 111 ASP CA . 52713 1 353 . 1 . 1 111 111 ASP CB C 13 40.079 0.04 . 1 . . . . . 111 ASP CB . 52713 1 354 . 1 . 1 111 111 ASP N N 15 125.900 0.01 . 1 . . . . . 111 ASP N . 52713 1 355 . 1 . 1 112 112 LEU H H 1 8.498 0.00 . 1 . . . . . 112 LEU H . 52713 1 356 . 1 . 1 112 112 LEU C C 13 174.330 0.00 . 1 . . . . . 112 LEU C . 52713 1 357 . 1 . 1 112 112 LEU CA C 13 51.562 0.29 . 1 . . . . . 112 LEU CA . 52713 1 358 . 1 . 1 112 112 LEU CB C 13 37.890 0.00 . 1 . . . . . 112 LEU CB . 52713 1 359 . 1 . 1 112 112 LEU N N 15 127.754 0.04 . 1 . . . . . 112 LEU N . 52713 1 360 . 1 . 1 113 113 GLU H H 1 9.129 0.04 . 1 . . . . . 113 GLU H . 52713 1 361 . 1 . 1 113 113 GLU C C 13 177.511 0.00 . 1 . . . . . 113 GLU C . 52713 1 362 . 1 . 1 113 113 GLU CA C 13 53.821 0.00 . 1 . . . . . 113 GLU CA . 52713 1 363 . 1 . 1 113 113 GLU CB C 13 27.295 0.00 . 1 . . . . . 113 GLU CB . 52713 1 364 . 1 . 1 113 113 GLU N N 15 125.661 0.00 . 1 . . . . . 113 GLU N . 52713 1 365 . 1 . 1 115 115 ARG CA C 13 62.514 0.00 . 1 . . . . . 115 ARG CA . 52713 1 366 . 1 . 1 115 115 ARG CB C 13 33.797 0.00 . 1 . . . . . 115 ARG CB . 52713 1 367 . 1 . 1 116 116 GLY H H 1 8.543 0.00 . 1 . . . . . 116 GLY H . 52713 1 368 . 1 . 1 116 116 GLY C C 13 177.477 0.00 . 1 . . . . . 116 GLY C . 52713 1 369 . 1 . 1 116 116 GLY CA C 13 44.847 0.21 . 1 . . . . . 116 GLY CA . 52713 1 370 . 1 . 1 116 116 GLY N N 15 111.056 0.02 . 1 . . . . . 116 GLY N . 52713 1 371 . 1 . 1 117 117 TYR H H 1 8.393 0.00 . 1 . . . . . 117 TYR H . 52713 1 372 . 1 . 1 117 117 TYR C C 13 173.768 0.00 . 1 . . . . . 117 TYR C . 52713 1 373 . 1 . 1 117 117 TYR CA C 13 56.100 0.17 . 1 . . . . . 117 TYR CA . 52713 1 374 . 1 . 1 117 117 TYR N N 15 121.367 0.01 . 1 . . . . . 117 TYR N . 52713 1 375 . 1 . 1 118 118 ILE H H 1 7.563 0.00 . 1 . . . . . 118 ILE H . 52713 1 376 . 1 . 1 118 118 ILE C C 13 175.997 0.00 . 1 . . . . . 118 ILE C . 52713 1 377 . 1 . 1 118 118 ILE CA C 13 54.156 0.00 . 1 . . . . . 118 ILE CA . 52713 1 378 . 1 . 1 118 118 ILE N N 15 119.880 0.05 . 1 . . . . . 118 ILE N . 52713 1 379 . 1 . 1 120 120 PRO CA C 13 63.057 0.00 . 1 . . . . . 120 PRO CA . 52713 1 380 . 1 . 1 120 120 PRO CB C 13 29.853 0.00 . 1 . . . . . 120 PRO CB . 52713 1 381 . 1 . 1 121 121 HIS H H 1 8.028 0.00 . 1 . . . . . 121 HIS H . 52713 1 382 . 1 . 1 121 121 HIS C C 13 176.972 0.00 . 1 . . . . . 121 HIS C . 52713 1 383 . 1 . 1 121 121 HIS CA C 13 54.533 0.19 . 1 . . . . . 121 HIS CA . 52713 1 384 . 1 . 1 121 121 HIS CB C 13 29.867 0.00 . 1 . . . . . 121 HIS CB . 52713 1 385 . 1 . 1 121 121 HIS N N 15 120.340 0.03 . 1 . . . . . 121 HIS N . 52713 1 386 . 1 . 1 122 122 VAL H H 1 8.194 0.00 . 1 . . . . . 122 VAL H . 52713 1 387 . 1 . 1 122 122 VAL C C 13 172.801 0.00 . 1 . . . . . 122 VAL C . 52713 1 388 . 1 . 1 122 122 VAL CA C 13 60.526 0.40 . 1 . . . . . 122 VAL CA . 52713 1 389 . 1 . 1 122 122 VAL CB C 13 33.061 0.01 . 1 . . . . . 122 VAL CB . 52713 1 390 . 1 . 1 122 122 VAL N N 15 122.106 0.04 . 1 . . . . . 122 VAL N . 52713 1 391 . 1 . 1 123 123 ASP H H 1 8.938 0.00 . 1 . . . . . 123 ASP H . 52713 1 392 . 1 . 1 123 123 ASP C C 13 176.648 0.00 . 1 . . . . . 123 ASP C . 52713 1 393 . 1 . 1 123 123 ASP CA C 13 55.495 0.00 . 1 . . . . . 123 ASP CA . 52713 1 394 . 1 . 1 123 123 ASP CB C 13 40.489 0.05 . 1 . . . . . 123 ASP CB . 52713 1 395 . 1 . 1 123 123 ASP N N 15 127.491 0.01 . 1 . . . . . 123 ASP N . 52713 1 396 . 1 . 1 124 124 SER H H 1 9.183 0.00 . 1 . . . . . 124 SER H . 52713 1 397 . 1 . 1 124 124 SER C C 13 178.268 0.00 . 1 . . . . . 124 SER C . 52713 1 398 . 1 . 1 124 124 SER CA C 13 57.748 0.01 . 1 . . . . . 124 SER CA . 52713 1 399 . 1 . 1 124 124 SER CB C 13 62.722 0.03 . 1 . . . . . 124 SER CB . 52713 1 400 . 1 . 1 124 124 SER N N 15 120.290 0.01 . 1 . . . . . 124 SER N . 52713 1 401 . 1 . 1 125 125 ILE H H 1 8.771 0.00 . 1 . . . . . 125 ILE H . 52713 1 402 . 1 . 1 125 125 ILE C C 13 177.967 0.00 . 1 . . . . . 125 ILE C . 52713 1 403 . 1 . 1 125 125 ILE CA C 13 63.603 0.00 . 1 . . . . . 125 ILE CA . 52713 1 404 . 1 . 1 125 125 ILE CB C 13 36.667 0.00 . 1 . . . . . 125 ILE CB . 52713 1 405 . 1 . 1 125 125 ILE N N 15 125.641 0.01 . 1 . . . . . 125 ILE N . 52713 1 406 . 1 . 1 126 126 LYS H H 1 7.821 0.00 . 1 . . . . . 126 LYS H . 52713 1 407 . 1 . 1 126 126 LYS C C 13 176.493 0.00 . 1 . . . . . 126 LYS C . 52713 1 408 . 1 . 1 126 126 LYS CA C 13 56.511 0.00 . 1 . . . . . 126 LYS CA . 52713 1 409 . 1 . 1 126 126 LYS CB C 13 31.352 0.00 . 1 . . . . . 126 LYS CB . 52713 1 410 . 1 . 1 126 126 LYS N N 15 117.863 0.01 . 1 . . . . . 126 LYS N . 52713 1 411 . 1 . 1 128 128 CYS CA C 13 57.382 0.00 . 1 . . . . . 128 CYS CA . 52713 1 412 . 1 . 1 128 128 CYS CB C 13 28.665 0.00 . 1 . . . . . 128 CYS CB . 52713 1 413 . 1 . 1 129 129 GLY H H 1 8.229 0.00 . 1 . . . . . 129 GLY H . 52713 1 414 . 1 . 1 129 129 GLY C C 13 174.233 0.00 . 1 . . . . . 129 GLY C . 52713 1 415 . 1 . 1 129 129 GLY CA C 13 44.999 0.01 . 1 . . . . . 129 GLY CA . 52713 1 416 . 1 . 1 129 129 GLY N N 15 120.306 0.01 . 1 . . . . . 129 GLY N . 52713 1 417 . 1 . 1 130 130 ALA H H 1 8.644 0.00 . 1 . . . . . 130 ALA H . 52713 1 418 . 1 . 1 130 130 ALA C C 13 173.851 0.00 . 1 . . . . . 130 ALA C . 52713 1 419 . 1 . 1 130 130 ALA CA C 13 54.654 0.01 . 1 . . . . . 130 ALA CA . 52713 1 420 . 1 . 1 130 130 ALA CB C 13 19.159 0.01 . 1 . . . . . 130 ALA CB . 52713 1 421 . 1 . 1 130 130 ALA N N 15 123.445 0.01 . 1 . . . . . 130 ALA N . 52713 1 422 . 1 . 1 131 131 THR H H 1 7.169 0.00 . 1 . . . . . 131 THR H . 52713 1 423 . 1 . 1 131 131 THR C C 13 175.733 0.00 . 1 . . . . . 131 THR C . 52713 1 424 . 1 . 1 131 131 THR CA C 13 61.345 0.00 . 1 . . . . . 131 THR CA . 52713 1 425 . 1 . 1 131 131 THR CB C 13 70.457 0.00 . 1 . . . . . 131 THR CB . 52713 1 426 . 1 . 1 131 131 THR N N 15 109.496 0.01 . 1 . . . . . 131 THR N . 52713 1 427 . 1 . 1 132 132 ILE CA C 13 59.848 0.00 . 1 . . . . . 132 ILE CA . 52713 1 428 . 1 . 1 132 132 ILE CB C 13 40.924 0.00 . 1 . . . . . 132 ILE CB . 52713 1 429 . 1 . 1 133 133 ALA H H 1 8.639 0.00 . 1 . . . . . 133 ALA H . 52713 1 430 . 1 . 1 133 133 ALA C C 13 171.685 0.00 . 1 . . . . . 133 ALA C . 52713 1 431 . 1 . 1 133 133 ALA CA C 13 49.278 0.00 . 1 . . . . . 133 ALA CA . 52713 1 432 . 1 . 1 133 133 ALA CB C 13 22.073 0.00 . 1 . . . . . 133 ALA CB . 52713 1 433 . 1 . 1 133 133 ALA N N 15 128.698 0.01 . 1 . . . . . 133 ALA N . 52713 1 434 . 1 . 1 135 135 LEU CA C 13 51.856 0.00 . 1 . . . . . 135 LEU CA . 52713 1 435 . 1 . 1 135 135 LEU CB C 13 43.781 0.00 . 1 . . . . . 135 LEU CB . 52713 1 436 . 1 . 1 136 136 SER H H 1 7.565 0.00 . 1 . . . . . 136 SER H . 52713 1 437 . 1 . 1 136 136 SER C C 13 176.857 0.00 . 1 . . . . . 136 SER C . 52713 1 438 . 1 . 1 136 136 SER CA C 13 59.007 0.03 . 1 . . . . . 136 SER CA . 52713 1 439 . 1 . 1 136 136 SER CB C 13 63.456 0.01 . 1 . . . . . 136 SER CB . 52713 1 440 . 1 . 1 136 136 SER N N 15 116.918 0.01 . 1 . . . . . 136 SER N . 52713 1 441 . 1 . 1 137 137 LEU H H 1 9.306 0.01 . 1 . . . . . 137 LEU H . 52713 1 442 . 1 . 1 137 137 LEU C C 13 172.243 0.00 . 1 . . . . . 137 LEU C . 52713 1 443 . 1 . 1 137 137 LEU CA C 13 52.951 0.02 . 1 . . . . . 137 LEU CA . 52713 1 444 . 1 . 1 137 137 LEU CB C 13 43.733 0.00 . 1 . . . . . 137 LEU CB . 52713 1 445 . 1 . 1 137 137 LEU N N 15 123.740 0.03 . 1 . . . . . 137 LEU N . 52713 1 446 . 1 . 1 138 138 LEU H H 1 9.381 0.00 . 1 . . . . . 138 LEU H . 52713 1 447 . 1 . 1 138 138 LEU C C 13 177.481 0.00 . 1 . . . . . 138 LEU C . 52713 1 448 . 1 . 1 138 138 LEU CA C 13 59.688 0.01 . 1 . . . . . 138 LEU CA . 52713 1 449 . 1 . 1 138 138 LEU CB C 13 39.370 0.01 . 1 . . . . . 138 LEU CB . 52713 1 450 . 1 . 1 138 138 LEU N N 15 114.868 0.01 . 1 . . . . . 138 LEU N . 52713 1 451 . 1 . 1 139 139 SER H H 1 8.174 0.00 . 1 . . . . . 139 SER H . 52713 1 452 . 1 . 1 139 139 SER C C 13 178.187 0.00 . 1 . . . . . 139 SER C . 52713 1 453 . 1 . 1 139 139 SER CA C 13 55.603 0.00 . 1 . . . . . 139 SER CA . 52713 1 454 . 1 . 1 139 139 SER CB C 13 62.193 0.00 . 1 . . . . . 139 SER CB . 52713 1 455 . 1 . 1 139 139 SER N N 15 112.373 0.01 . 1 . . . . . 139 SER N . 52713 1 456 . 1 . 1 140 140 PRO CA C 13 61.233 0.00 . 1 . . . . . 140 PRO CA . 52713 1 457 . 1 . 1 140 140 PRO CB C 13 32.142 0.00 . 1 . . . . . 140 PRO CB . 52713 1 458 . 1 . 1 141 141 SER H H 1 7.768 0.00 . 1 . . . . . 141 SER H . 52713 1 459 . 1 . 1 141 141 SER C C 13 174.453 0.00 . 1 . . . . . 141 SER C . 52713 1 460 . 1 . 1 141 141 SER CA C 13 57.785 0.03 . 1 . . . . . 141 SER CA . 52713 1 461 . 1 . 1 141 141 SER CB C 13 64.991 0.06 . 1 . . . . . 141 SER CB . 52713 1 462 . 1 . 1 141 141 SER N N 15 111.357 0.02 . 1 . . . . . 141 SER N . 52713 1 463 . 1 . 1 142 142 VAL H H 1 9.338 0.00 . 1 . . . . . 142 VAL H . 52713 1 464 . 1 . 1 142 142 VAL C C 13 170.147 0.00 . 1 . . . . . 142 VAL C . 52713 1 465 . 1 . 1 142 142 VAL CA C 13 60.689 0.00 . 1 . . . . . 142 VAL CA . 52713 1 466 . 1 . 1 142 142 VAL CB C 13 33.676 0.00 . 1 . . . . . 142 VAL CB . 52713 1 467 . 1 . 1 142 142 VAL N N 15 119.866 0.01 . 1 . . . . . 142 VAL N . 52713 1 468 . 1 . 1 143 143 MET H H 1 8.883 0.01 . 1 . . . . . 143 MET H . 52713 1 469 . 1 . 1 143 143 MET C C 13 176.657 0.00 . 1 . . . . . 143 MET C . 52713 1 470 . 1 . 1 143 143 MET CA C 13 55.448 0.00 . 1 . . . . . 143 MET CA . 52713 1 471 . 1 . 1 143 143 MET CB C 13 32.990 0.00 . 1 . . . . . 143 MET CB . 52713 1 472 . 1 . 1 143 143 MET N N 15 127.744 0.00 . 1 . . . . . 143 MET N . 52713 1 473 . 1 . 1 145 145 LEU CA C 13 53.062 0.00 . 1 . . . . . 145 LEU CA . 52713 1 474 . 1 . 1 145 145 LEU CB C 13 42.826 0.00 . 1 . . . . . 145 LEU CB . 52713 1 475 . 1 . 1 146 146 VAL H H 1 7.872 0.00 . 1 . . . . . 146 VAL H . 52713 1 476 . 1 . 1 146 146 VAL C C 13 176.114 0.00 . 1 . . . . . 146 VAL C . 52713 1 477 . 1 . 1 146 146 VAL CA C 13 60.745 0.01 . 1 . . . . . 146 VAL CA . 52713 1 478 . 1 . 1 146 146 VAL CB C 13 33.856 0.04 . 1 . . . . . 146 VAL CB . 52713 1 479 . 1 . 1 146 146 VAL N N 15 121.949 0.03 . 1 . . . . . 146 VAL N . 52713 1 480 . 1 . 1 147 147 HIS H H 1 8.459 0.00 . 1 . . . . . 147 HIS H . 52713 1 481 . 1 . 1 147 147 HIS C C 13 174.891 0.00 . 1 . . . . . 147 HIS C . 52713 1 482 . 1 . 1 147 147 HIS CA C 13 57.563 0.00 . 1 . . . . . 147 HIS CA . 52713 1 483 . 1 . 1 147 147 HIS CB C 13 29.156 0.00 . 1 . . . . . 147 HIS CB . 52713 1 484 . 1 . 1 147 147 HIS N N 15 131.641 0.01 . 1 . . . . . 147 HIS N . 52713 1 485 . 1 . 1 151 151 PRO CA C 13 63.705 0.00 . 1 . . . . . 151 PRO CA . 52713 1 486 . 1 . 1 151 151 PRO CB C 13 30.879 0.00 . 1 . . . . . 151 PRO CB . 52713 1 487 . 1 . 1 152 152 GLY H H 1 8.530 0.00 . 1 . . . . . 152 GLY H . 52713 1 488 . 1 . 1 152 152 GLY C C 13 177.046 0.00 . 1 . . . . . 152 GLY C . 52713 1 489 . 1 . 1 152 152 GLY CA C 13 44.900 0.12 . 1 . . . . . 152 GLY CA . 52713 1 490 . 1 . 1 152 152 GLY N N 15 106.564 0.02 . 1 . . . . . 152 GLY N . 52713 1 491 . 1 . 1 153 153 GLU H H 1 8.084 0.02 . 1 . . . . . 153 GLU H . 52713 1 492 . 1 . 1 153 153 GLU C C 13 173.419 0.00 . 1 . . . . . 153 GLU C . 52713 1 493 . 1 . 1 153 153 GLU CA C 13 54.772 0.11 . 1 . . . . . 153 GLU CA . 52713 1 494 . 1 . 1 153 153 GLU CB C 13 29.688 0.43 . 1 . . . . . 153 GLU CB . 52713 1 495 . 1 . 1 153 153 GLU N N 15 122.948 0.00 . 1 . . . . . 153 GLU N . 52713 1 496 . 1 . 1 154 154 TRP H H 1 7.573 0.00 . 1 . . . . . 154 TRP H . 52713 1 497 . 1 . 1 154 154 TRP C C 13 173.315 0.00 . 1 . . . . . 154 TRP C . 52713 1 498 . 1 . 1 154 154 TRP CA C 13 53.615 0.00 . 1 . . . . . 154 TRP CA . 52713 1 499 . 1 . 1 154 154 TRP CB C 13 32.575 0.00 . 1 . . . . . 154 TRP CB . 52713 1 500 . 1 . 1 154 154 TRP N N 15 118.112 0.01 . 1 . . . . . 154 TRP N . 52713 1 501 . 1 . 1 155 155 LEU CA C 13 54.053 0.00 . 1 . . . . . 155 LEU CA . 52713 1 502 . 1 . 1 155 155 LEU CB C 13 47.203 0.00 . 1 . . . . . 155 LEU CB . 52713 1 503 . 1 . 1 156 156 GLU H H 1 9.747 0.00 . 1 . . . . . 156 GLU H . 52713 1 504 . 1 . 1 156 156 GLU C C 13 175.704 0.00 . 1 . . . . . 156 GLU C . 52713 1 505 . 1 . 1 156 156 GLU CA C 13 53.974 0.11 . 1 . . . . . 156 GLU CA . 52713 1 506 . 1 . 1 156 156 GLU CB C 13 32.877 0.00 . 1 . . . . . 156 GLU CB . 52713 1 507 . 1 . 1 156 156 GLU N N 15 123.207 0.01 . 1 . . . . . 156 GLU N . 52713 1 508 . 1 . 1 157 157 LEU H H 1 9.311 0.02 . 1 . . . . . 157 LEU H . 52713 1 509 . 1 . 1 157 157 LEU C C 13 176.269 0.00 . 1 . . . . . 157 LEU C . 52713 1 510 . 1 . 1 157 157 LEU CA C 13 59.912 1.46 . 1 . . . . . 157 LEU CA . 52713 1 511 . 1 . 1 157 157 LEU CB C 13 42.189 0.00 . 1 . . . . . 157 LEU CB . 52713 1 512 . 1 . 1 157 157 LEU N N 15 121.229 0.00 . 1 . . . . . 157 LEU N . 52713 1 513 . 1 . 1 158 158 LEU H H 1 8.986 0.00 . 1 . . . . . 158 LEU H . 52713 1 514 . 1 . 1 158 158 LEU C C 13 173.150 0.00 . 1 . . . . . 158 LEU C . 52713 1 515 . 1 . 1 158 158 LEU CA C 13 59.806 0.00 . 1 . . . . . 158 LEU CA . 52713 1 516 . 1 . 1 158 158 LEU CB C 13 41.112 0.00 . 1 . . . . . 158 LEU CB . 52713 1 517 . 1 . 1 158 158 LEU N N 15 128.132 0.01 . 1 . . . . . 158 LEU N . 52713 1 518 . 1 . 1 161 161 PRO CA C 13 63.470 0.00 . 1 . . . . . 161 PRO CA . 52713 1 519 . 1 . 1 161 161 PRO CB C 13 30.128 0.00 . 1 . . . . . 161 PRO CB . 52713 1 520 . 1 . 1 162 162 GLY H H 1 9.376 0.00 . 1 . . . . . 162 GLY H . 52713 1 521 . 1 . 1 162 162 GLY C C 13 177.600 0.00 . 1 . . . . . 162 GLY C . 52713 1 522 . 1 . 1 162 162 GLY CA C 13 44.940 0.00 . 1 . . . . . 162 GLY CA . 52713 1 523 . 1 . 1 162 162 GLY N N 15 113.113 0.01 . 1 . . . . . 162 GLY N . 52713 1 524 . 1 . 1 164 164 LEU CA C 13 59.197 0.00 . 1 . . . . . 164 LEU CA . 52713 1 525 . 1 . 1 164 164 LEU CB C 13 38.767 0.00 . 1 . . . . . 164 LEU CB . 52713 1 526 . 1 . 1 165 165 TYR H H 1 9.021 0.02 . 1 . . . . . 165 TYR H . 52713 1 527 . 1 . 1 165 165 TYR C C 13 174.159 0.00 . 1 . . . . . 165 TYR C . 52713 1 528 . 1 . 1 165 165 TYR CA C 13 54.015 0.00 . 1 . . . . . 165 TYR CA . 52713 1 529 . 1 . 1 165 165 TYR CB C 13 32.991 0.00 . 1 . . . . . 165 TYR CB . 52713 1 530 . 1 . 1 165 165 TYR N N 15 125.567 0.03 . 1 . . . . . 165 TYR N . 52713 1 531 . 1 . 1 167 167 LEU CA C 13 52.171 0.00 . 1 . . . . . 167 LEU CA . 52713 1 532 . 1 . 1 167 167 LEU CB C 13 41.972 0.00 . 1 . . . . . 167 LEU CB . 52713 1 533 . 1 . 1 168 168 ARG H H 1 9.117 0.00 . 1 . . . . . 168 ARG H . 52713 1 534 . 1 . 1 168 168 ARG C C 13 174.884 0.00 . 1 . . . . . 168 ARG C . 52713 1 535 . 1 . 1 168 168 ARG CA C 13 52.757 0.01 . 1 . . . . . 168 ARG CA . 52713 1 536 . 1 . 1 168 168 ARG CB C 13 33.636 0.01 . 1 . . . . . 168 ARG CB . 52713 1 537 . 1 . 1 168 168 ARG N N 15 120.221 0.01 . 1 . . . . . 168 ARG N . 52713 1 538 . 1 . 1 169 169 GLY H H 1 8.166 0.00 . 1 . . . . . 169 GLY H . 52713 1 539 . 1 . 1 169 169 GLY C C 13 177.163 0.00 . 1 . . . . . 169 GLY C . 52713 1 540 . 1 . 1 169 169 GLY CA C 13 46.688 0.00 . 1 . . . . . 169 GLY CA . 52713 1 541 . 1 . 1 169 169 GLY N N 15 107.386 0.00 . 1 . . . . . 169 GLY N . 52713 1 542 . 1 . 1 170 170 SER H H 1 9.537 0.00 . 1 . . . . . 170 SER H . 52713 1 543 . 1 . 1 170 170 SER C C 13 177.147 0.00 . 1 . . . . . 170 SER C . 52713 1 544 . 1 . 1 170 170 SER CA C 13 61.287 0.00 . 1 . . . . . 170 SER CA . 52713 1 545 . 1 . 1 170 170 SER CB C 13 63.184 0.00 . 1 . . . . . 170 SER CB . 52713 1 546 . 1 . 1 170 170 SER N N 15 123.504 0.01 . 1 . . . . . 170 SER N . 52713 1 547 . 1 . 1 171 171 ALA H H 1 7.371 0.00 . 1 . . . . . 171 ALA H . 52713 1 548 . 1 . 1 171 171 ALA C C 13 177.392 0.00 . 1 . . . . . 171 ALA C . 52713 1 549 . 1 . 1 171 171 ALA CA C 13 54.165 0.00 . 1 . . . . . 171 ALA CA . 52713 1 550 . 1 . 1 171 171 ALA CB C 13 18.535 0.01 . 1 . . . . . 171 ALA CB . 52713 1 551 . 1 . 1 171 171 ALA N N 15 116.881 0.01 . 1 . . . . . 171 ALA N . 52713 1 552 . 1 . 1 172 172 ARG H H 1 6.899 0.00 . 1 . . . . . 172 ARG H . 52713 1 553 . 1 . 1 172 172 ARG C C 13 175.207 0.00 . 1 . . . . . 172 ARG C . 52713 1 554 . 1 . 1 172 172 ARG CA C 13 56.251 0.00 . 1 . . . . . 172 ARG CA . 52713 1 555 . 1 . 1 172 172 ARG CB C 13 29.297 0.00 . 1 . . . . . 172 ARG CB . 52713 1 556 . 1 . 1 172 172 ARG N N 15 115.064 0.01 . 1 . . . . . 172 ARG N . 52713 1 557 . 1 . 1 173 173 TYR H H 1 8.197 0.00 . 1 . . . . . 173 TYR H . 52713 1 558 . 1 . 1 173 173 TYR C C 13 178.625 0.00 . 1 . . . . . 173 TYR C . 52713 1 559 . 1 . 1 173 173 TYR CA C 13 60.755 0.00 . 1 . . . . . 173 TYR CA . 52713 1 560 . 1 . 1 173 173 TYR CB C 13 40.072 0.02 . 1 . . . . . 173 TYR CB . 52713 1 561 . 1 . 1 173 173 TYR N N 15 117.887 0.01 . 1 . . . . . 173 TYR N . 52713 1 562 . 1 . 1 174 174 ASP H H 1 8.868 0.00 . 1 . . . . . 174 ASP H . 52713 1 563 . 1 . 1 174 174 ASP C C 13 176.855 0.00 . 1 . . . . . 174 ASP C . 52713 1 564 . 1 . 1 174 174 ASP CA C 13 54.975 0.01 . 1 . . . . . 174 ASP CA . 52713 1 565 . 1 . 1 174 174 ASP CB C 13 41.088 0.05 . 1 . . . . . 174 ASP CB . 52713 1 566 . 1 . 1 174 174 ASP N N 15 116.954 0.01 . 1 . . . . . 174 ASP N . 52713 1 567 . 1 . 1 175 175 PHE H H 1 6.934 0.00 . 1 . . . . . 175 PHE H . 52713 1 568 . 1 . 1 175 175 PHE C C 13 173.462 0.00 . 1 . . . . . 175 PHE C . 52713 1 569 . 1 . 1 175 175 PHE CA C 13 54.897 0.00 . 1 . . . . . 175 PHE CA . 52713 1 570 . 1 . 1 175 175 PHE CB C 13 40.441 0.03 . 1 . . . . . 175 PHE CB . 52713 1 571 . 1 . 1 175 175 PHE N N 15 117.624 0.01 . 1 . . . . . 175 PHE N . 52713 1 572 . 1 . 1 176 176 SER H H 1 9.215 0.00 . 1 . . . . . 176 SER H . 52713 1 573 . 1 . 1 176 176 SER C C 13 175.375 0.00 . 1 . . . . . 176 SER C . 52713 1 574 . 1 . 1 176 176 SER CA C 13 56.463 0.01 . 1 . . . . . 176 SER CA . 52713 1 575 . 1 . 1 176 176 SER CB C 13 63.897 0.01 . 1 . . . . . 176 SER CB . 52713 1 576 . 1 . 1 176 176 SER N N 15 116.270 0.01 . 1 . . . . . 176 SER N . 52713 1 577 . 1 . 1 177 177 HIS H H 1 8.194 0.00 . 1 . . . . . 177 HIS H . 52713 1 578 . 1 . 1 177 177 HIS C C 13 174.435 0.00 . 1 . . . . . 177 HIS C . 52713 1 579 . 1 . 1 177 177 HIS CA C 13 53.730 0.00 . 1 . . . . . 177 HIS CA . 52713 1 580 . 1 . 1 177 177 HIS CB C 13 31.360 0.03 . 1 . . . . . 177 HIS CB . 52713 1 581 . 1 . 1 177 177 HIS N N 15 113.471 0.01 . 1 . . . . . 177 HIS N . 52713 1 582 . 1 . 1 178 178 GLU H H 1 7.692 0.00 . 1 . . . . . 178 GLU H . 52713 1 583 . 1 . 1 178 178 GLU C C 13 172.662 0.00 . 1 . . . . . 178 GLU C . 52713 1 584 . 1 . 1 178 178 GLU CA C 13 54.063 0.04 . 1 . . . . . 178 GLU CA . 52713 1 585 . 1 . 1 178 178 GLU CB C 13 32.132 0.13 . 1 . . . . . 178 GLU CB . 52713 1 586 . 1 . 1 178 178 GLU N N 15 117.302 0.02 . 1 . . . . . 178 GLU N . 52713 1 587 . 1 . 1 179 179 ILE H H 1 8.148 0.00 . 1 . . . . . 179 ILE H . 52713 1 588 . 1 . 1 179 179 ILE C C 13 173.207 0.00 . 1 . . . . . 179 ILE C . 52713 1 589 . 1 . 1 179 179 ILE CA C 13 57.601 0.00 . 1 . . . . . 179 ILE CA . 52713 1 590 . 1 . 1 179 179 ILE CB C 13 37.465 0.00 . 1 . . . . . 179 ILE CB . 52713 1 591 . 1 . 1 179 179 ILE N N 15 122.672 0.01 . 1 . . . . . 179 ILE N . 52713 1 592 . 1 . 1 180 180 LEU H H 1 7.927 0.00 . 1 . . . . . 180 LEU H . 52713 1 593 . 1 . 1 180 180 LEU C C 13 176.383 0.00 . 1 . . . . . 180 LEU C . 52713 1 594 . 1 . 1 180 180 LEU CA C 13 55.448 0.01 . 1 . . . . . 180 LEU CA . 52713 1 595 . 1 . 1 180 180 LEU CB C 13 40.190 0.01 . 1 . . . . . 180 LEU CB . 52713 1 596 . 1 . 1 180 180 LEU N N 15 123.560 0.01 . 1 . . . . . 180 LEU N . 52713 1 597 . 1 . 1 181 181 ARG H H 1 8.991 0.00 . 1 . . . . . 181 ARG H . 52713 1 598 . 1 . 1 181 181 ARG C C 13 178.931 0.00 . 1 . . . . . 181 ARG C . 52713 1 599 . 1 . 1 181 181 ARG CA C 13 53.912 0.01 . 1 . . . . . 181 ARG CA . 52713 1 600 . 1 . 1 181 181 ARG CB C 13 30.091 0.03 . 1 . . . . . 181 ARG CB . 52713 1 601 . 1 . 1 181 181 ARG N N 15 122.565 0.01 . 1 . . . . . 181 ARG N . 52713 1 602 . 1 . 1 182 182 ASP H H 1 9.290 0.00 . 1 . . . . . 182 ASP H . 52713 1 603 . 1 . 1 182 182 ASP C C 13 176.259 0.00 . 1 . . . . . 182 ASP C . 52713 1 604 . 1 . 1 182 182 ASP CA C 13 58.394 0.07 . 1 . . . . . 182 ASP CA . 52713 1 605 . 1 . 1 182 182 ASP CB C 13 41.959 0.00 . 1 . . . . . 182 ASP CB . 52713 1 606 . 1 . 1 182 182 ASP N N 15 121.523 0.01 . 1 . . . . . 182 ASP N . 52713 1 607 . 1 . 1 183 183 GLU H H 1 10.085 0.00 . 1 . . . . . 183 GLU H . 52713 1 608 . 1 . 1 183 183 GLU C C 13 178.601 0.00 . 1 . . . . . 183 GLU C . 52713 1 609 . 1 . 1 183 183 GLU CA C 13 59.401 0.01 . 1 . . . . . 183 GLU CA . 52713 1 610 . 1 . 1 183 183 GLU CB C 13 28.376 0.01 . 1 . . . . . 183 GLU CB . 52713 1 611 . 1 . 1 183 183 GLU N N 15 117.136 0.01 . 1 . . . . . 183 GLU N . 52713 1 612 . 1 . 1 184 184 GLU H H 1 7.437 0.00 . 1 . . . . . 184 GLU H . 52713 1 613 . 1 . 1 184 184 GLU C C 13 176.848 0.00 . 1 . . . . . 184 GLU C . 52713 1 614 . 1 . 1 184 184 GLU CA C 13 53.919 0.00 . 1 . . . . . 184 GLU CA . 52713 1 615 . 1 . 1 184 184 GLU CB C 13 30.630 0.01 . 1 . . . . . 184 GLU CB . 52713 1 616 . 1 . 1 184 184 GLU N N 15 115.067 0.01 . 1 . . . . . 184 GLU N . 52713 1 617 . 1 . 1 185 185 SER H H 1 7.285 0.00 . 1 . . . . . 185 SER H . 52713 1 618 . 1 . 1 185 185 SER C C 13 175.674 0.00 . 1 . . . . . 185 SER C . 52713 1 619 . 1 . 1 185 185 SER CA C 13 58.130 0.00 . 1 . . . . . 185 SER CA . 52713 1 620 . 1 . 1 185 185 SER CB C 13 59.505 0.01 . 1 . . . . . 185 SER CB . 52713 1 621 . 1 . 1 185 185 SER N N 15 116.664 0.01 . 1 . . . . . 185 SER N . 52713 1 622 . 1 . 1 186 186 PHE H H 1 7.608 0.00 . 1 . . . . . 186 PHE H . 52713 1 623 . 1 . 1 186 186 PHE C C 13 171.463 0.00 . 1 . . . . . 186 PHE C . 52713 1 624 . 1 . 1 186 186 PHE CA C 13 55.846 0.00 . 1 . . . . . 186 PHE CA . 52713 1 625 . 1 . 1 186 186 PHE CB C 13 42.317 0.00 . 1 . . . . . 186 PHE CB . 52713 1 626 . 1 . 1 186 186 PHE N N 15 128.995 0.00 . 1 . . . . . 186 PHE N . 52713 1 627 . 1 . 1 187 187 PHE H H 1 9.298 0.00 . 1 . . . . . 187 PHE H . 52713 1 628 . 1 . 1 187 187 PHE C C 13 174.007 0.00 . 1 . . . . . 187 PHE C . 52713 1 629 . 1 . 1 187 187 PHE CA C 13 55.627 0.07 . 1 . . . . . 187 PHE CA . 52713 1 630 . 1 . 1 187 187 PHE CB C 13 39.338 0.01 . 1 . . . . . 187 PHE CB . 52713 1 631 . 1 . 1 187 187 PHE N N 15 124.976 0.02 . 1 . . . . . 187 PHE N . 52713 1 632 . 1 . 1 188 188 GLY H H 1 8.847 0.00 . 1 . . . . . 188 GLY H . 52713 1 633 . 1 . 1 188 188 GLY C C 13 176.036 0.00 . 1 . . . . . 188 GLY C . 52713 1 634 . 1 . 1 188 188 GLY CA C 13 45.968 0.00 . 1 . . . . . 188 GLY CA . 52713 1 635 . 1 . 1 188 188 GLY N N 15 118.024 0.01 . 1 . . . . . 188 GLY N . 52713 1 636 . 1 . 1 189 189 GLU H H 1 8.945 0.00 . 1 . . . . . 189 GLU H . 52713 1 637 . 1 . 1 189 189 GLU C C 13 174.200 0.00 . 1 . . . . . 189 GLU C . 52713 1 638 . 1 . 1 189 189 GLU CA C 13 56.479 0.00 . 1 . . . . . 189 GLU CA . 52713 1 639 . 1 . 1 189 189 GLU CB C 13 28.562 0.01 . 1 . . . . . 189 GLU CB . 52713 1 640 . 1 . 1 189 189 GLU N N 15 126.325 0.01 . 1 . . . . . 189 GLU N . 52713 1 641 . 1 . 1 190 190 ARG H H 1 7.457 0.00 . 1 . . . . . 190 ARG H . 52713 1 642 . 1 . 1 190 190 ARG C C 13 176.118 0.00 . 1 . . . . . 190 ARG C . 52713 1 643 . 1 . 1 190 190 ARG CA C 13 55.212 0.00 . 1 . . . . . 190 ARG CA . 52713 1 644 . 1 . 1 190 190 ARG CB C 13 31.092 0.01 . 1 . . . . . 190 ARG CB . 52713 1 645 . 1 . 1 190 190 ARG N N 15 120.469 0.02 . 1 . . . . . 190 ARG N . 52713 1 646 . 1 . 1 191 191 ARG H H 1 8.770 0.00 . 1 . . . . . 191 ARG H . 52713 1 647 . 1 . 1 191 191 ARG C C 13 175.173 0.00 . 1 . . . . . 191 ARG C . 52713 1 648 . 1 . 1 191 191 ARG CA C 13 55.590 0.05 . 1 . . . . . 191 ARG CA . 52713 1 649 . 1 . 1 191 191 ARG CB C 13 29.160 0.00 . 1 . . . . . 191 ARG CB . 52713 1 650 . 1 . 1 191 191 ARG N N 15 129.551 0.01 . 1 . . . . . 191 ARG N . 52713 1 651 . 1 . 1 192 192 ILE H H 1 7.917 0.00 . 1 . . . . . 192 ILE H . 52713 1 652 . 1 . 1 192 192 ILE C C 13 174.876 0.00 . 1 . . . . . 192 ILE C . 52713 1 653 . 1 . 1 192 192 ILE CA C 13 54.456 0.00 . 1 . . . . . 192 ILE CA . 52713 1 654 . 1 . 1 192 192 ILE CB C 13 34.476 0.00 . 1 . . . . . 192 ILE CB . 52713 1 655 . 1 . 1 192 192 ILE N N 15 130.179 0.01 . 1 . . . . . 192 ILE N . 52713 1 656 . 1 . 1 193 193 PRO CA C 13 62.632 0.00 . 1 . . . . . 193 PRO CA . 52713 1 657 . 1 . 1 193 193 PRO CB C 13 30.678 0.00 . 1 . . . . . 193 PRO CB . 52713 1 658 . 1 . 1 194 194 ARG H H 1 8.025 0.00 . 1 . . . . . 194 ARG H . 52713 1 659 . 1 . 1 194 194 ARG C C 13 176.902 0.00 . 1 . . . . . 194 ARG C . 52713 1 660 . 1 . 1 194 194 ARG CA C 13 52.527 0.01 . 1 . . . . . 194 ARG CA . 52713 1 661 . 1 . 1 194 194 ARG CB C 13 28.482 0.03 . 1 . . . . . 194 ARG CB . 52713 1 662 . 1 . 1 194 194 ARG N N 15 122.520 0.04 . 1 . . . . . 194 ARG N . 52713 1 663 . 1 . 1 195 195 GLY H H 1 8.645 0.00 . 1 . . . . . 195 GLY H . 52713 1 664 . 1 . 1 195 195 GLY C C 13 177.583 0.00 . 1 . . . . . 195 GLY C . 52713 1 665 . 1 . 1 195 195 GLY CA C 13 42.925 0.02 . 1 . . . . . 195 GLY CA . 52713 1 666 . 1 . 1 195 195 GLY N N 15 109.218 0.02 . 1 . . . . . 195 GLY N . 52713 1 667 . 1 . 1 196 196 ARG H H 1 8.305 0.00 . 1 . . . . . 196 ARG H . 52713 1 668 . 1 . 1 196 196 ARG C C 13 172.751 0.00 . 1 . . . . . 196 ARG C . 52713 1 669 . 1 . 1 196 196 ARG CA C 13 56.298 0.01 . 1 . . . . . 196 ARG CA . 52713 1 670 . 1 . 1 196 196 ARG CB C 13 28.288 0.02 . 1 . . . . . 196 ARG CB . 52713 1 671 . 1 . 1 196 196 ARG N N 15 123.183 0.01 . 1 . . . . . 196 ARG N . 52713 1 672 . 1 . 1 197 197 ARG H H 1 9.542 0.00 . 1 . . . . . 197 ARG H . 52713 1 673 . 1 . 1 197 197 ARG C C 13 177.729 0.00 . 1 . . . . . 197 ARG C . 52713 1 674 . 1 . 1 197 197 ARG CA C 13 54.740 0.00 . 1 . . . . . 197 ARG CA . 52713 1 675 . 1 . 1 197 197 ARG CB C 13 33.928 0.01 . 1 . . . . . 197 ARG CB . 52713 1 676 . 1 . 1 197 197 ARG N N 15 134.596 0.01 . 1 . . . . . 197 ARG N . 52713 1 677 . 1 . 1 198 198 ILE H H 1 7.400 0.00 . 1 . . . . . 198 ILE H . 52713 1 678 . 1 . 1 198 198 ILE C C 13 174.951 0.00 . 1 . . . . . 198 ILE C . 52713 1 679 . 1 . 1 198 198 ILE CA C 13 58.738 0.00 . 1 . . . . . 198 ILE CA . 52713 1 680 . 1 . 1 198 198 ILE CB C 13 40.506 0.00 . 1 . . . . . 198 ILE CB . 52713 1 681 . 1 . 1 198 198 ILE N N 15 127.771 0.01 . 1 . . . . . 198 ILE N . 52713 1 682 . 1 . 1 200 200 VAL CA C 13 60.948 0.00 . 1 . . . . . 200 VAL CA . 52713 1 683 . 1 . 1 200 200 VAL CB C 13 33.020 0.00 . 1 . . . . . 200 VAL CB . 52713 1 684 . 1 . 1 201 201 ILE H H 1 9.581 0.00 . 1 . . . . . 201 ILE H . 52713 1 685 . 1 . 1 201 201 ILE C C 13 174.892 0.00 . 1 . . . . . 201 ILE C . 52713 1 686 . 1 . 1 201 201 ILE CA C 13 61.210 0.05 . 1 . . . . . 201 ILE CA . 52713 1 687 . 1 . 1 201 201 ILE CB C 13 40.159 0.01 . 1 . . . . . 201 ILE CB . 52713 1 688 . 1 . 1 201 201 ILE N N 15 128.200 0.01 . 1 . . . . . 201 ILE N . 52713 1 689 . 1 . 1 202 202 CYS H H 1 9.432 0.00 . 1 . . . . . 202 CYS H . 52713 1 690 . 1 . 1 202 202 CYS C C 13 175.922 0.00 . 1 . . . . . 202 CYS C . 52713 1 691 . 1 . 1 202 202 CYS CA C 13 57.267 0.01 . 1 . . . . . 202 CYS CA . 52713 1 692 . 1 . 1 202 202 CYS CB C 13 28.812 0.02 . 1 . . . . . 202 CYS CB . 52713 1 693 . 1 . 1 202 202 CYS N N 15 128.132 0.01 . 1 . . . . . 202 CYS N . 52713 1 694 . 1 . 1 203 203 ARG H H 1 8.798 0.00 . 1 . . . . . 203 ARG H . 52713 1 695 . 1 . 1 203 203 ARG C C 13 173.295 0.00 . 1 . . . . . 203 ARG C . 52713 1 696 . 1 . 1 203 203 ARG CA C 13 54.465 0.00 . 1 . . . . . 203 ARG CA . 52713 1 697 . 1 . 1 203 203 ARG CB C 13 32.674 0.00 . 1 . . . . . 203 ARG CB . 52713 1 698 . 1 . 1 203 203 ARG N N 15 123.050 0.01 . 1 . . . . . 203 ARG N . 52713 1 699 . 1 . 1 204 204 SER H H 1 7.768 0.00 . 1 . . . . . 204 SER H . 52713 1 700 . 1 . 1 204 204 SER C C 13 174.937 0.00 . 1 . . . . . 204 SER C . 52713 1 701 . 1 . 1 204 204 SER CA C 13 56.136 0.01 . 1 . . . . . 204 SER CA . 52713 1 702 . 1 . 1 204 204 SER CB C 13 64.304 0.00 . 1 . . . . . 204 SER CB . 52713 1 703 . 1 . 1 204 204 SER N N 15 115.127 0.03 . 1 . . . . . 204 SER N . 52713 1 704 . 1 . 1 205 205 LEU H H 1 8.355 0.00 . 1 . . . . . 205 LEU H . 52713 1 705 . 1 . 1 205 205 LEU C C 13 175.456 0.00 . 1 . . . . . 205 LEU C . 52713 1 706 . 1 . 1 205 205 LEU CA C 13 53.050 0.00 . 1 . . . . . 205 LEU CA . 52713 1 707 . 1 . 1 205 205 LEU CB C 13 41.228 0.00 . 1 . . . . . 205 LEU CB . 52713 1 708 . 1 . 1 205 205 LEU N N 15 124.064 0.01 . 1 . . . . . 205 LEU N . 52713 1 709 . 1 . 1 206 206 PRO CA C 13 62.557 0.00 . 1 . . . . . 206 PRO CA . 52713 1 710 . 1 . 1 206 206 PRO CB C 13 31.119 0.00 . 1 . . . . . 206 PRO CB . 52713 1 711 . 1 . 1 207 207 GLU H H 1 8.456 0.00 . 1 . . . . . 207 GLU H . 52713 1 712 . 1 . 1 207 207 GLU C C 13 176.189 0.00 . 1 . . . . . 207 GLU C . 52713 1 713 . 1 . 1 207 207 GLU CA C 13 56.499 0.01 . 1 . . . . . 207 GLU CA . 52713 1 714 . 1 . 1 207 207 GLU CB C 13 29.538 0.01 . 1 . . . . . 207 GLU CB . 52713 1 715 . 1 . 1 207 207 GLU N N 15 122.322 0.01 . 1 . . . . . 207 GLU N . 52713 1 716 . 1 . 1 208 208 GLY H H 1 8.482 0.00 . 1 . . . . . 208 GLY H . 52713 1 717 . 1 . 1 208 208 GLY C C 13 177.266 0.00 . 1 . . . . . 208 GLY C . 52713 1 718 . 1 . 1 208 208 GLY CA C 13 45.027 0.00 . 1 . . . . . 208 GLY CA . 52713 1 719 . 1 . 1 208 208 GLY N N 15 110.757 0.01 . 1 . . . . . 208 GLY N . 52713 1 720 . 1 . 1 209 209 MET H H 1 7.986 0.00 . 1 . . . . . 209 MET H . 52713 1 721 . 1 . 1 209 209 MET C C 13 174.162 0.00 . 1 . . . . . 209 MET C . 52713 1 722 . 1 . 1 209 209 MET CA C 13 54.716 0.00 . 1 . . . . . 209 MET CA . 52713 1 723 . 1 . 1 209 209 MET CB C 13 32.380 0.00 . 1 . . . . . 209 MET CB . 52713 1 724 . 1 . 1 209 209 MET N N 15 119.821 0.01 . 1 . . . . . 209 MET N . 52713 1 725 . 1 . 1 210 210 GLY H H 1 8.338 0.00 . 1 . . . . . 210 GLY H . 52713 1 726 . 1 . 1 210 210 GLY C C 13 176.358 0.00 . 1 . . . . . 210 GLY C . 52713 1 727 . 1 . 1 210 210 GLY CA C 13 43.906 0.03 . 1 . . . . . 210 GLY CA . 52713 1 728 . 1 . 1 210 210 GLY N N 15 110.954 0.01 . 1 . . . . . 210 GLY N . 52713 1 729 . 1 . 1 211 211 PRO CA C 13 63.089 0.00 . 1 . . . . . 211 PRO CA . 52713 1 730 . 1 . 1 211 211 PRO CB C 13 31.075 0.00 . 1 . . . . . 211 PRO CB . 52713 1 731 . 1 . 1 212 212 GLY H H 1 8.431 0.00 . 1 . . . . . 212 GLY H . 52713 1 732 . 1 . 1 212 212 GLY C C 13 177.925 0.00 . 1 . . . . . 212 GLY C . 52713 1 733 . 1 . 1 212 212 GLY CA C 13 44.792 0.01 . 1 . . . . . 212 GLY CA . 52713 1 734 . 1 . 1 212 212 GLY N N 15 110.194 0.01 . 1 . . . . . 212 GLY N . 52713 1 735 . 1 . 1 213 213 GLU H H 1 8.041 0.00 . 1 . . . . . 213 GLU H . 52713 1 736 . 1 . 1 213 213 GLU C C 13 174.334 0.00 . 1 . . . . . 213 GLU C . 52713 1 737 . 1 . 1 213 213 GLU CA C 13 56.027 0.00 . 1 . . . . . 213 GLU CA . 52713 1 738 . 1 . 1 213 213 GLU CB C 13 29.293 0.07 . 1 . . . . . 213 GLU CB . 52713 1 739 . 1 . 1 213 213 GLU N N 15 121.060 0.03 . 1 . . . . . 213 GLU N . 52713 1 740 . 1 . 1 214 214 SER H H 1 8.341 0.00 . 1 . . . . . 214 SER H . 52713 1 741 . 1 . 1 214 214 SER C C 13 176.818 0.00 . 1 . . . . . 214 SER C . 52713 1 742 . 1 . 1 214 214 SER CA C 13 58.254 0.00 . 1 . . . . . 214 SER CA . 52713 1 743 . 1 . 1 214 214 SER CB C 13 63.133 0.01 . 1 . . . . . 214 SER CB . 52713 1 744 . 1 . 1 214 214 SER N N 15 116.933 0.01 . 1 . . . . . 214 SER N . 52713 1 745 . 1 . 1 215 215 GLY H H 1 8.311 0.00 . 1 . . . . . 215 GLY H . 52713 1 746 . 1 . 1 215 215 GLY C C 13 175.107 0.00 . 1 . . . . . 215 GLY C . 52713 1 747 . 1 . 1 215 215 GLY CA C 13 44.752 0.00 . 1 . . . . . 215 GLY CA . 52713 1 748 . 1 . 1 215 215 GLY N N 15 111.224 0.01 . 1 . . . . . 215 GLY N . 52713 1 stop_ save_