data_50942 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50942 _Entry.Title ; NMR backbone resonance assignment of the pro-apoptotic Bak in its apo state ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-05-14 _Entry.Accession_date 2021-05-14 _Entry.Last_release_date 2021-05-14 _Entry.Original_release_date 2021-05-14 _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 Laura Sperl . . . . 50942 2 Franz Hagn . . . . 50942 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50942 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 398 50942 '15N chemical shifts' 139 50942 '1H chemical shifts' 139 50942 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2021-11-07 2021-05-14 update BMRB 'update entry citation' 50942 1 . . 2021-06-15 2021-05-14 original author 'original release' 50942 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50942 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34523144 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; High-resolution analysis of the conformational transition of pro-apoptotic Bak at the lipid membrane ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO J.' _Citation.Journal_name_full 'The EMBO journal' _Citation.Journal_volume 40 _Citation.Journal_issue 20 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1460-2075 _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first e107159 _Citation.Page_last e107159 _Citation.Year 2021 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Laura Sperl . . . . 50942 1 2 Florian Ruehrnoessl . . . . 50942 1 3 Anita Schiller . . . . 50942 1 4 Martin Haslbeck . . . . 50942 1 5 Franz Hagn . . . . 50942 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50942 _Assembly.ID 1 _Assembly.Name 'Bak monomer' _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 Bak 1 $entity_1 . . yes native no no . . . 50942 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50942 _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 ; MEASASGQGPGPPRQECGEP ALPSASEEQVAQDTEEVFRS YVFYRHQQEQEAEGVAAPAD PEMVTLPLQPSSTMGQVGRQ LAIIGDDINRRYDSEFQTML QHLQPTAENAYEYFTKIATS LFESGINWGRVVALLGFGYR LALHVYQHGLTGFLGQVTRF VVDFMLHHCIARWIAQRGGW VAALNLGNGPILNVLVVLGV VLLGQFVVRRFFKS ; _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 214 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 -3 MET . 50942 1 2 -2 GLU . 50942 1 3 -1 ALA . 50942 1 4 1 SER . 50942 1 5 2 ALA . 50942 1 6 3 SER . 50942 1 7 4 GLY . 50942 1 8 5 GLN . 50942 1 9 6 GLY . 50942 1 10 7 PRO . 50942 1 11 8 GLY . 50942 1 12 9 PRO . 50942 1 13 10 PRO . 50942 1 14 11 ARG . 50942 1 15 12 GLN . 50942 1 16 13 GLU . 50942 1 17 14 CYS . 50942 1 18 15 GLY . 50942 1 19 16 GLU . 50942 1 20 17 PRO . 50942 1 21 18 ALA . 50942 1 22 19 LEU . 50942 1 23 20 PRO . 50942 1 24 21 SER . 50942 1 25 22 ALA . 50942 1 26 23 SER . 50942 1 27 24 GLU . 50942 1 28 25 GLU . 50942 1 29 26 GLN . 50942 1 30 27 VAL . 50942 1 31 28 ALA . 50942 1 32 29 GLN . 50942 1 33 30 ASP . 50942 1 34 31 THR . 50942 1 35 32 GLU . 50942 1 36 33 GLU . 50942 1 37 34 VAL . 50942 1 38 35 PHE . 50942 1 39 36 ARG . 50942 1 40 37 SER . 50942 1 41 38 TYR . 50942 1 42 39 VAL . 50942 1 43 40 PHE . 50942 1 44 41 TYR . 50942 1 45 42 ARG . 50942 1 46 43 HIS . 50942 1 47 44 GLN . 50942 1 48 45 GLN . 50942 1 49 46 GLU . 50942 1 50 47 GLN . 50942 1 51 48 GLU . 50942 1 52 49 ALA . 50942 1 53 50 GLU . 50942 1 54 51 GLY . 50942 1 55 52 VAL . 50942 1 56 53 ALA . 50942 1 57 54 ALA . 50942 1 58 55 PRO . 50942 1 59 56 ALA . 50942 1 60 57 ASP . 50942 1 61 58 PRO . 50942 1 62 59 GLU . 50942 1 63 60 MET . 50942 1 64 61 VAL . 50942 1 65 62 THR . 50942 1 66 63 LEU . 50942 1 67 64 PRO . 50942 1 68 65 LEU . 50942 1 69 66 GLN . 50942 1 70 67 PRO . 50942 1 71 68 SER . 50942 1 72 69 SER . 50942 1 73 70 THR . 50942 1 74 71 MET . 50942 1 75 72 GLY . 50942 1 76 73 GLN . 50942 1 77 74 VAL . 50942 1 78 75 GLY . 50942 1 79 76 ARG . 50942 1 80 77 GLN . 50942 1 81 78 LEU . 50942 1 82 79 ALA . 50942 1 83 80 ILE . 50942 1 84 81 ILE . 50942 1 85 82 GLY . 50942 1 86 83 ASP . 50942 1 87 84 ASP . 50942 1 88 85 ILE . 50942 1 89 86 ASN . 50942 1 90 87 ARG . 50942 1 91 88 ARG . 50942 1 92 89 TYR . 50942 1 93 90 ASP . 50942 1 94 91 SER . 50942 1 95 92 GLU . 50942 1 96 93 PHE . 50942 1 97 94 GLN . 50942 1 98 95 THR . 50942 1 99 96 MET . 50942 1 100 97 LEU . 50942 1 101 98 GLN . 50942 1 102 99 HIS . 50942 1 103 100 LEU . 50942 1 104 101 GLN . 50942 1 105 102 PRO . 50942 1 106 103 THR . 50942 1 107 104 ALA . 50942 1 108 105 GLU . 50942 1 109 106 ASN . 50942 1 110 107 ALA . 50942 1 111 108 TYR . 50942 1 112 109 GLU . 50942 1 113 110 TYR . 50942 1 114 111 PHE . 50942 1 115 112 THR . 50942 1 116 113 LYS . 50942 1 117 114 ILE . 50942 1 118 115 ALA . 50942 1 119 116 THR . 50942 1 120 117 SER . 50942 1 121 118 LEU . 50942 1 122 119 PHE . 50942 1 123 120 GLU . 50942 1 124 121 SER . 50942 1 125 122 GLY . 50942 1 126 123 ILE . 50942 1 127 124 ASN . 50942 1 128 125 TRP . 50942 1 129 126 GLY . 50942 1 130 127 ARG . 50942 1 131 128 VAL . 50942 1 132 129 VAL . 50942 1 133 130 ALA . 50942 1 134 131 LEU . 50942 1 135 132 LEU . 50942 1 136 133 GLY . 50942 1 137 134 PHE . 50942 1 138 135 GLY . 50942 1 139 136 TYR . 50942 1 140 137 ARG . 50942 1 141 138 LEU . 50942 1 142 139 ALA . 50942 1 143 140 LEU . 50942 1 144 141 HIS . 50942 1 145 142 VAL . 50942 1 146 143 TYR . 50942 1 147 144 GLN . 50942 1 148 145 HIS . 50942 1 149 146 GLY . 50942 1 150 147 LEU . 50942 1 151 148 THR . 50942 1 152 149 GLY . 50942 1 153 150 PHE . 50942 1 154 151 LEU . 50942 1 155 152 GLY . 50942 1 156 153 GLN . 50942 1 157 154 VAL . 50942 1 158 155 THR . 50942 1 159 156 ARG . 50942 1 160 157 PHE . 50942 1 161 158 VAL . 50942 1 162 159 VAL . 50942 1 163 160 ASP . 50942 1 164 161 PHE . 50942 1 165 162 MET . 50942 1 166 163 LEU . 50942 1 167 164 HIS . 50942 1 168 165 HIS . 50942 1 169 166 CYS . 50942 1 170 167 ILE . 50942 1 171 168 ALA . 50942 1 172 169 ARG . 50942 1 173 170 TRP . 50942 1 174 171 ILE . 50942 1 175 172 ALA . 50942 1 176 173 GLN . 50942 1 177 174 ARG . 50942 1 178 175 GLY . 50942 1 179 176 GLY . 50942 1 180 177 TRP . 50942 1 181 178 VAL . 50942 1 182 179 ALA . 50942 1 183 180 ALA . 50942 1 184 181 LEU . 50942 1 185 182 ASN . 50942 1 186 183 LEU . 50942 1 187 184 GLY . 50942 1 188 185 ASN . 50942 1 189 186 GLY . 50942 1 190 187 PRO . 50942 1 191 188 ILE . 50942 1 192 189 LEU . 50942 1 193 190 ASN . 50942 1 194 191 VAL . 50942 1 195 192 LEU . 50942 1 196 193 VAL . 50942 1 197 194 VAL . 50942 1 198 195 LEU . 50942 1 199 196 GLY . 50942 1 200 197 VAL . 50942 1 201 198 VAL . 50942 1 202 199 LEU . 50942 1 203 200 LEU . 50942 1 204 201 GLY . 50942 1 205 202 GLN . 50942 1 206 203 PHE . 50942 1 207 204 VAL . 50942 1 208 205 VAL . 50942 1 209 206 ARG . 50942 1 210 207 ARG . 50942 1 211 208 PHE . 50942 1 212 209 PHE . 50942 1 213 210 LYS . 50942 1 214 211 SER . 50942 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 50942 1 . GLU 2 2 50942 1 . ALA 3 3 50942 1 . SER 4 4 50942 1 . ALA 5 5 50942 1 . SER 6 6 50942 1 . GLY 7 7 50942 1 . GLN 8 8 50942 1 . GLY 9 9 50942 1 . PRO 10 10 50942 1 . GLY 11 11 50942 1 . PRO 12 12 50942 1 . PRO 13 13 50942 1 . ARG 14 14 50942 1 . GLN 15 15 50942 1 . GLU 16 16 50942 1 . CYS 17 17 50942 1 . GLY 18 18 50942 1 . GLU 19 19 50942 1 . PRO 20 20 50942 1 . ALA 21 21 50942 1 . LEU 22 22 50942 1 . PRO 23 23 50942 1 . SER 24 24 50942 1 . ALA 25 25 50942 1 . SER 26 26 50942 1 . GLU 27 27 50942 1 . GLU 28 28 50942 1 . GLN 29 29 50942 1 . VAL 30 30 50942 1 . ALA 31 31 50942 1 . GLN 32 32 50942 1 . ASP 33 33 50942 1 . THR 34 34 50942 1 . GLU 35 35 50942 1 . GLU 36 36 50942 1 . VAL 37 37 50942 1 . PHE 38 38 50942 1 . ARG 39 39 50942 1 . SER 40 40 50942 1 . TYR 41 41 50942 1 . VAL 42 42 50942 1 . PHE 43 43 50942 1 . TYR 44 44 50942 1 . ARG 45 45 50942 1 . HIS 46 46 50942 1 . GLN 47 47 50942 1 . GLN 48 48 50942 1 . GLU 49 49 50942 1 . GLN 50 50 50942 1 . GLU 51 51 50942 1 . ALA 52 52 50942 1 . GLU 53 53 50942 1 . GLY 54 54 50942 1 . VAL 55 55 50942 1 . ALA 56 56 50942 1 . ALA 57 57 50942 1 . PRO 58 58 50942 1 . ALA 59 59 50942 1 . ASP 60 60 50942 1 . PRO 61 61 50942 1 . GLU 62 62 50942 1 . MET 63 63 50942 1 . VAL 64 64 50942 1 . THR 65 65 50942 1 . LEU 66 66 50942 1 . PRO 67 67 50942 1 . LEU 68 68 50942 1 . GLN 69 69 50942 1 . PRO 70 70 50942 1 . SER 71 71 50942 1 . SER 72 72 50942 1 . THR 73 73 50942 1 . MET 74 74 50942 1 . GLY 75 75 50942 1 . GLN 76 76 50942 1 . VAL 77 77 50942 1 . GLY 78 78 50942 1 . ARG 79 79 50942 1 . GLN 80 80 50942 1 . LEU 81 81 50942 1 . ALA 82 82 50942 1 . ILE 83 83 50942 1 . ILE 84 84 50942 1 . GLY 85 85 50942 1 . ASP 86 86 50942 1 . ASP 87 87 50942 1 . ILE 88 88 50942 1 . ASN 89 89 50942 1 . ARG 90 90 50942 1 . ARG 91 91 50942 1 . TYR 92 92 50942 1 . ASP 93 93 50942 1 . SER 94 94 50942 1 . GLU 95 95 50942 1 . PHE 96 96 50942 1 . GLN 97 97 50942 1 . THR 98 98 50942 1 . MET 99 99 50942 1 . LEU 100 100 50942 1 . GLN 101 101 50942 1 . HIS 102 102 50942 1 . LEU 103 103 50942 1 . GLN 104 104 50942 1 . PRO 105 105 50942 1 . THR 106 106 50942 1 . ALA 107 107 50942 1 . GLU 108 108 50942 1 . ASN 109 109 50942 1 . ALA 110 110 50942 1 . TYR 111 111 50942 1 . GLU 112 112 50942 1 . TYR 113 113 50942 1 . PHE 114 114 50942 1 . THR 115 115 50942 1 . LYS 116 116 50942 1 . ILE 117 117 50942 1 . ALA 118 118 50942 1 . THR 119 119 50942 1 . SER 120 120 50942 1 . LEU 121 121 50942 1 . PHE 122 122 50942 1 . GLU 123 123 50942 1 . SER 124 124 50942 1 . GLY 125 125 50942 1 . ILE 126 126 50942 1 . ASN 127 127 50942 1 . TRP 128 128 50942 1 . GLY 129 129 50942 1 . ARG 130 130 50942 1 . VAL 131 131 50942 1 . VAL 132 132 50942 1 . ALA 133 133 50942 1 . LEU 134 134 50942 1 . LEU 135 135 50942 1 . GLY 136 136 50942 1 . PHE 137 137 50942 1 . GLY 138 138 50942 1 . TYR 139 139 50942 1 . ARG 140 140 50942 1 . LEU 141 141 50942 1 . ALA 142 142 50942 1 . LEU 143 143 50942 1 . HIS 144 144 50942 1 . VAL 145 145 50942 1 . TYR 146 146 50942 1 . GLN 147 147 50942 1 . HIS 148 148 50942 1 . GLY 149 149 50942 1 . LEU 150 150 50942 1 . THR 151 151 50942 1 . GLY 152 152 50942 1 . PHE 153 153 50942 1 . LEU 154 154 50942 1 . GLY 155 155 50942 1 . GLN 156 156 50942 1 . VAL 157 157 50942 1 . THR 158 158 50942 1 . ARG 159 159 50942 1 . PHE 160 160 50942 1 . VAL 161 161 50942 1 . VAL 162 162 50942 1 . ASP 163 163 50942 1 . PHE 164 164 50942 1 . MET 165 165 50942 1 . LEU 166 166 50942 1 . HIS 167 167 50942 1 . HIS 168 168 50942 1 . CYS 169 169 50942 1 . ILE 170 170 50942 1 . ALA 171 171 50942 1 . ARG 172 172 50942 1 . TRP 173 173 50942 1 . ILE 174 174 50942 1 . ALA 175 175 50942 1 . GLN 176 176 50942 1 . ARG 177 177 50942 1 . GLY 178 178 50942 1 . GLY 179 179 50942 1 . TRP 180 180 50942 1 . VAL 181 181 50942 1 . ALA 182 182 50942 1 . ALA 183 183 50942 1 . LEU 184 184 50942 1 . ASN 185 185 50942 1 . LEU 186 186 50942 1 . GLY 187 187 50942 1 . ASN 188 188 50942 1 . GLY 189 189 50942 1 . PRO 190 190 50942 1 . ILE 191 191 50942 1 . LEU 192 192 50942 1 . ASN 193 193 50942 1 . VAL 194 194 50942 1 . LEU 195 195 50942 1 . VAL 196 196 50942 1 . VAL 197 197 50942 1 . LEU 198 198 50942 1 . GLY 199 199 50942 1 . VAL 200 200 50942 1 . VAL 201 201 50942 1 . LEU 202 202 50942 1 . LEU 203 203 50942 1 . GLY 204 204 50942 1 . GLN 205 205 50942 1 . PHE 206 206 50942 1 . VAL 207 207 50942 1 . VAL 208 208 50942 1 . ARG 209 209 50942 1 . ARG 210 210 50942 1 . PHE 211 211 50942 1 . PHE 212 212 50942 1 . LYS 213 213 50942 1 . SER 214 214 50942 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 50942 _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 . . . . . . . . . . . . . 50942 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 50942 _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 BL21 DE3 . plasmid . . pET21a . . . 50942 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50942 _Sample.ID 1 _Sample.Name 'Bak CN' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 Bak '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 200 . . uM . . . . 50942 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 50942 1 3 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 50942 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 50942 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 50942 _Sample_condition_list.ID 1 _Sample_condition_list.Name assignment _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' 50 . mM 50942 1 pH 6.8 . pH 50942 1 pressure 1 . atm 50942 1 temperature 303 . K 50942 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50942 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50942 1 processing . 50942 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50942 _Software.ID 2 _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' . 50942 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 50942 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 950 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 50942 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50942 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50942 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50942 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50942 1 5 '3D 15N-separated NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50942 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 50942 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 50942 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50942 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50942 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 50942 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Baksolu _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 HSQC' . . . 50942 1 2 '3D HNCO' . . . 50942 1 3 '3D HNCA' . . . 50942 1 4 '3D HNCACB' . . . 50942 1 5 '3D 15N-separated NOESY' . . . 50942 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 . . 50942 1 2 $software_2 . . 50942 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 3 3 ALA H H 1 8.502 0.02 . 1 . . . . . -1 A H . 50942 1 2 . 1 . 1 3 3 ALA C C 13 177.497 0.05 . 1 . . . . . -1 A C . 50942 1 3 . 1 . 1 3 3 ALA CA C 13 52.258 0.05 . 1 . . . . . -1 A CA . 50942 1 4 . 1 . 1 3 3 ALA CB C 13 19.463 0.05 . 1 . . . . . -1 A CB . 50942 1 5 . 1 . 1 3 3 ALA N N 15 126.635 0.05 . 1 . . . . . -1 A N . 50942 1 6 . 1 . 1 4 4 SER H H 1 8.26 0.02 . 1 . . . . . 1 S H . 50942 1 7 . 1 . 1 4 4 SER CA C 13 57.86 0.05 . 1 . . . . . 1 S CA . 50942 1 8 . 1 . 1 4 4 SER CB C 13 64.233 0.05 . 1 . . . . . 1 S CB . 50942 1 9 . 1 . 1 4 4 SER N N 15 115.546 0.05 . 1 . . . . . 1 S N . 50942 1 10 . 1 . 1 7 7 GLY C C 13 173.779 0.05 . 1 . . . . . 4 G C . 50942 1 11 . 1 . 1 7 7 GLY CA C 13 45.059 0.05 . 1 . . . . . 4 G CA . 50942 1 12 . 1 . 1 8 8 GLN H H 1 8.16 0.02 . 1 . . . . . 5 Q H . 50942 1 13 . 1 . 1 8 8 GLN C C 13 175.876 0.05 . 1 . . . . . 5 Q C . 50942 1 14 . 1 . 1 8 8 GLN CA C 13 55.277 0.05 . 1 . . . . . 5 Q CA . 50942 1 15 . 1 . 1 8 8 GLN CB C 13 30.033 0.05 . 1 . . . . . 5 Q CB . 50942 1 16 . 1 . 1 8 8 GLN N N 15 120.217 0.05 . 1 . . . . . 5 Q N . 50942 1 17 . 1 . 1 9 9 GLY H H 1 8.272 0.02 . 1 . . . . . 6 G H . 50942 1 18 . 1 . 1 9 9 GLY CA C 13 44.142 0.05 . 1 . . . . . 6 G CA . 50942 1 19 . 1 . 1 9 9 GLY N N 15 110.925 0.05 . 1 . . . . . 6 G N . 50942 1 20 . 1 . 1 10 10 PRO C C 13 177.017 0.05 . 1 . . . . . 7 P C . 50942 1 21 . 1 . 1 10 10 PRO CA C 13 62.922 0.05 . 1 . . . . . 7 P CA . 50942 1 22 . 1 . 1 10 10 PRO CB C 13 32.587 0.05 . 1 . . . . . 7 P CB . 50942 1 23 . 1 . 1 11 11 GLY H H 1 8.233 0.02 . 1 . . . . . 8 G H . 50942 1 24 . 1 . 1 11 11 GLY CA C 13 43.929 0.05 . 1 . . . . . 8 G CA . 50942 1 25 . 1 . 1 11 11 GLY N N 15 109.935 0.05 . 1 . . . . . 8 G N . 50942 1 26 . 1 . 1 13 13 PRO C C 13 176.562 0.05 . 1 . . . . . 10 P C . 50942 1 27 . 1 . 1 13 13 PRO CA C 13 62.512 0.05 . 1 . . . . . 10 P CA . 50942 1 28 . 1 . 1 13 13 PRO CB C 13 32.227 0.05 . 1 . . . . . 10 P CB . 50942 1 29 . 1 . 1 14 14 ARG H H 1 8.377 0.02 . 1 . . . . . 11 R H . 50942 1 30 . 1 . 1 14 14 ARG C C 13 175.947 0.05 . 1 . . . . . 11 R C . 50942 1 31 . 1 . 1 14 14 ARG CA C 13 55.579 0.05 . 1 . . . . . 11 R CA . 50942 1 32 . 1 . 1 14 14 ARG CB C 13 31.3 0.05 . 1 . . . . . 11 R CB . 50942 1 33 . 1 . 1 14 14 ARG N N 15 122.2 0.05 . 1 . . . . . 11 R N . 50942 1 34 . 1 . 1 15 15 GLN H H 1 8.464 0.02 . 1 . . . . . 12 Q H . 50942 1 35 . 1 . 1 15 15 GLN C C 13 175.619 0.05 . 1 . . . . . 12 Q C . 50942 1 36 . 1 . 1 15 15 GLN CA C 13 55.449 0.05 . 1 . . . . . 12 Q CA . 50942 1 37 . 1 . 1 15 15 GLN CB C 13 29.961 0.05 . 1 . . . . . 12 Q CB . 50942 1 38 . 1 . 1 15 15 GLN N N 15 122.918 0.05 . 1 . . . . . 12 Q N . 50942 1 39 . 1 . 1 16 16 GLU H H 1 8.59 0.02 . 1 . . . . . 13 E H . 50942 1 40 . 1 . 1 16 16 GLU C C 13 176.087 0.05 . 1 . . . . . 13 E C . 50942 1 41 . 1 . 1 16 16 GLU CA C 13 56.294 0.05 . 1 . . . . . 13 E CA . 50942 1 42 . 1 . 1 16 16 GLU CB C 13 30.358 0.05 . 1 . . . . . 13 E CB . 50942 1 43 . 1 . 1 16 16 GLU N N 15 123.449 0.05 . 1 . . . . . 13 E N . 50942 1 44 . 1 . 1 17 17 CYS H H 1 8.399 0.02 . 1 . . . . . 14 C H . 50942 1 45 . 1 . 1 17 17 CYS C C 13 174.543 0.05 . 1 . . . . . 14 C C . 50942 1 46 . 1 . 1 17 17 CYS CA C 13 58.123 0.05 . 1 . . . . . 14 C CA . 50942 1 47 . 1 . 1 17 17 CYS CB C 13 28.496 0.05 . 1 . . . . . 14 C CB . 50942 1 48 . 1 . 1 17 17 CYS N N 15 120.488 0.05 . 1 . . . . . 14 C N . 50942 1 49 . 1 . 1 18 18 GLY H H 1 8.376 0.02 . 1 . . . . . 15 G H . 50942 1 50 . 1 . 1 18 18 GLY C C 13 173.23 0.05 . 1 . . . . . 15 G C . 50942 1 51 . 1 . 1 18 18 GLY CA C 13 44.676 0.05 . 1 . . . . . 15 G CA . 50942 1 52 . 1 . 1 18 18 GLY N N 15 111.848 0.05 . 1 . . . . . 15 G N . 50942 1 53 . 1 . 1 19 19 GLU H H 1 8.153 0.02 . 1 . . . . . 16 E H . 50942 1 54 . 1 . 1 19 19 GLU CA C 13 53.885 0.05 . 1 . . . . . 16 E CA . 50942 1 55 . 1 . 1 19 19 GLU CB C 13 30.085 0.05 . 1 . . . . . 16 E CB . 50942 1 56 . 1 . 1 19 19 GLU N N 15 122.434 0.05 . 1 . . . . . 16 E N . 50942 1 57 . 1 . 1 20 20 PRO C C 13 176.043 0.05 . 1 . . . . . 17 P C . 50942 1 58 . 1 . 1 20 20 PRO CA C 13 62.661 0.05 . 1 . . . . . 17 P CA . 50942 1 59 . 1 . 1 20 20 PRO CB C 13 32.373 0.05 . 1 . . . . . 17 P CB . 50942 1 60 . 1 . 1 21 21 ALA H H 1 8.299 0.02 . 1 . . . . . 18 A H . 50942 1 61 . 1 . 1 21 21 ALA C C 13 177.066 0.05 . 1 . . . . . 18 A C . 50942 1 62 . 1 . 1 21 21 ALA CA C 13 51.591 0.05 . 1 . . . . . 18 A CA . 50942 1 63 . 1 . 1 21 21 ALA CB C 13 19.558 0.05 . 1 . . . . . 18 A CB . 50942 1 64 . 1 . 1 21 21 ALA N N 15 125.135 0.05 . 1 . . . . . 18 A N . 50942 1 65 . 1 . 1 22 22 LEU H H 1 8.137 0.02 . 1 . . . . . 19 L H . 50942 1 66 . 1 . 1 22 22 LEU CA C 13 52.396 0.05 . 1 . . . . . 19 L CA . 50942 1 67 . 1 . 1 22 22 LEU CB C 13 42.298 0.05 . 1 . . . . . 19 L CB . 50942 1 68 . 1 . 1 22 22 LEU N N 15 123.621 0.05 . 1 . . . . . 19 L N . 50942 1 69 . 1 . 1 23 23 PRO C C 13 176.544 0.05 . 1 . . . . . 20 P C . 50942 1 70 . 1 . 1 23 23 PRO CA C 13 62.491 0.05 . 1 . . . . . 20 P CA . 50942 1 71 . 1 . 1 23 23 PRO CB C 13 32.338 0.05 . 1 . . . . . 20 P CB . 50942 1 72 . 1 . 1 24 24 SER H H 1 8.323 0.02 . 1 . . . . . 21 S H . 50942 1 73 . 1 . 1 24 24 SER C C 13 173.857 0.05 . 1 . . . . . 21 S C . 50942 1 74 . 1 . 1 24 24 SER CA C 13 58.22 0.05 . 1 . . . . . 21 S CA . 50942 1 75 . 1 . 1 24 24 SER CB C 13 64.292 0.05 . 1 . . . . . 21 S CB . 50942 1 76 . 1 . 1 24 24 SER N N 15 117.139 0.05 . 1 . . . . . 21 S N . 50942 1 77 . 1 . 1 25 25 ALA H H 1 8.233 0.02 . 1 . . . . . 22 A H . 50942 1 78 . 1 . 1 25 25 ALA C C 13 176.574 0.05 . 1 . . . . . 22 A C . 50942 1 79 . 1 . 1 25 25 ALA CA C 13 51.569 0.05 . 1 . . . . . 22 A CA . 50942 1 80 . 1 . 1 25 25 ALA CB C 13 20.25 0.05 . 1 . . . . . 22 A CB . 50942 1 81 . 1 . 1 25 25 ALA N N 15 126.115 0.05 . 1 . . . . . 22 A N . 50942 1 82 . 1 . 1 26 26 SER H H 1 8.136 0.02 . 1 . . . . . 23 S H . 50942 1 83 . 1 . 1 26 26 SER C C 13 175.177 0.05 . 1 . . . . . 23 S C . 50942 1 84 . 1 . 1 26 26 SER CA C 13 56.914 0.05 . 1 . . . . . 23 S CA . 50942 1 85 . 1 . 1 26 26 SER CB C 13 65.339 0.05 . 1 . . . . . 23 S CB . 50942 1 86 . 1 . 1 26 26 SER N N 15 115.068 0.05 . 1 . . . . . 23 S N . 50942 1 87 . 1 . 1 27 27 GLU H H 1 8.849 0.02 . 1 . . . . . 24 E H . 50942 1 88 . 1 . 1 27 27 GLU CA C 13 59.591 0.05 . 1 . . . . . 24 E CA . 50942 1 89 . 1 . 1 27 27 GLU CB C 13 30.353 0.05 . 1 . . . . . 24 E CB . 50942 1 90 . 1 . 1 27 27 GLU N N 15 125.017 0.05 . 1 . . . . . 24 E N . 50942 1 91 . 1 . 1 28 28 GLU H H 1 8.689 0.02 . 1 . . . . . 25 E H . 50942 1 92 . 1 . 1 28 28 GLU C C 13 178.615 0.05 . 1 . . . . . 25 E C . 50942 1 93 . 1 . 1 28 28 GLU CA C 13 59.709 0.05 . 1 . . . . . 25 E CA . 50942 1 94 . 1 . 1 28 28 GLU CB C 13 29.479 0.05 . 1 . . . . . 25 E CB . 50942 1 95 . 1 . 1 28 28 GLU N N 15 119.337 0.05 . 1 . . . . . 25 E N . 50942 1 96 . 1 . 1 29 29 GLN H H 1 7.833 0.02 . 1 . . . . . 26 Q H . 50942 1 97 . 1 . 1 29 29 GLN C C 13 177.655 0.05 . 1 . . . . . 26 Q C . 50942 1 98 . 1 . 1 29 29 GLN CA C 13 58.03 0.05 . 1 . . . . . 26 Q CA . 50942 1 99 . 1 . 1 29 29 GLN CB C 13 29.157 0.05 . 1 . . . . . 26 Q CB . 50942 1 100 . 1 . 1 29 29 GLN N N 15 121.628 0.05 . 1 . . . . . 26 Q N . 50942 1 101 . 1 . 1 30 30 VAL H H 1 8.117 0.02 . 1 . . . . . 27 V H . 50942 1 102 . 1 . 1 30 30 VAL C C 13 179.642 0.05 . 1 . . . . . 27 V C . 50942 1 103 . 1 . 1 30 30 VAL CA C 13 66.22 0.05 . 1 . . . . . 27 V CA . 50942 1 104 . 1 . 1 30 30 VAL CB C 13 32.056 0.05 . 1 . . . . . 27 V CB . 50942 1 105 . 1 . 1 30 30 VAL N N 15 119.634 0.05 . 1 . . . . . 27 V N . 50942 1 106 . 1 . 1 31 31 ALA H H 1 8.533 0.02 . 1 . . . . . 28 A H . 50942 1 107 . 1 . 1 31 31 ALA C C 13 179.11 0.05 . 1 . . . . . 28 A C . 50942 1 108 . 1 . 1 31 31 ALA CA C 13 55.9 0.05 . 1 . . . . . 28 A CA . 50942 1 109 . 1 . 1 31 31 ALA CB C 13 18.712 0.05 . 1 . . . . . 28 A CB . 50942 1 110 . 1 . 1 31 31 ALA N N 15 124.19 0.05 . 1 . . . . . 28 A N . 50942 1 111 . 1 . 1 32 32 GLN H H 1 7.906 0.02 . 1 . . . . . 29 Q H . 50942 1 112 . 1 . 1 32 32 GLN C C 13 179.438 0.05 . 1 . . . . . 29 Q C . 50942 1 113 . 1 . 1 32 32 GLN CA C 13 58.721 0.05 . 1 . . . . . 29 Q CA . 50942 1 114 . 1 . 1 32 32 GLN CB C 13 28.983 0.05 . 1 . . . . . 29 Q CB . 50942 1 115 . 1 . 1 32 32 GLN N N 15 118.776 0.05 . 1 . . . . . 29 Q N . 50942 1 116 . 1 . 1 33 33 ASP H H 1 9.004 0.02 . 1 . . . . . 30 D H . 50942 1 117 . 1 . 1 33 33 ASP C C 13 176.772 0.05 . 1 . . . . . 30 D C . 50942 1 118 . 1 . 1 33 33 ASP CA C 13 57.003 0.05 . 1 . . . . . 30 D CA . 50942 1 119 . 1 . 1 33 33 ASP CB C 13 42.541 0.05 . 1 . . . . . 30 D CB . 50942 1 120 . 1 . 1 33 33 ASP N N 15 122.901 0.05 . 1 . . . . . 30 D N . 50942 1 121 . 1 . 1 34 34 THR H H 1 8.181 0.02 . 1 . . . . . 31 T H . 50942 1 122 . 1 . 1 34 34 THR C C 13 174.492 0.05 . 1 . . . . . 31 T C . 50942 1 123 . 1 . 1 34 34 THR CA C 13 66.69 0.05 . 1 . . . . . 31 T CA . 50942 1 124 . 1 . 1 34 34 THR CB C 13 69.195 0.05 . 1 . . . . . 31 T CB . 50942 1 125 . 1 . 1 34 34 THR N N 15 115.659 0.05 . 1 . . . . . 31 T N . 50942 1 126 . 1 . 1 35 35 GLU H H 1 7.597 0.02 . 1 . . . . . 32 E H . 50942 1 127 . 1 . 1 35 35 GLU C C 13 176.598 0.05 . 1 . . . . . 32 E C . 50942 1 128 . 1 . 1 35 35 GLU CA C 13 60.682 0.05 . 1 . . . . . 32 E CA . 50942 1 129 . 1 . 1 35 35 GLU CB C 13 29.356 0.05 . 1 . . . . . 32 E CB . 50942 1 130 . 1 . 1 35 35 GLU N N 15 121.195 0.05 . 1 . . . . . 32 E N . 50942 1 131 . 1 . 1 36 36 GLU H H 1 7.45 0.02 . 1 . . . . . 33 E H . 50942 1 132 . 1 . 1 36 36 GLU C C 13 179.147 0.05 . 1 . . . . . 33 E C . 50942 1 133 . 1 . 1 36 36 GLU CA C 13 58.745 0.05 . 1 . . . . . 33 E CA . 50942 1 134 . 1 . 1 36 36 GLU CB C 13 29.873 0.05 . 1 . . . . . 33 E CB . 50942 1 135 . 1 . 1 36 36 GLU N N 15 118.543 0.05 . 1 . . . . . 33 E N . 50942 1 136 . 1 . 1 37 37 VAL H H 1 7.843 0.02 . 1 . . . . . 34 V H . 50942 1 137 . 1 . 1 37 37 VAL C C 13 177.107 0.05 . 1 . . . . . 34 V C . 50942 1 138 . 1 . 1 37 37 VAL CA C 13 66.755 0.05 . 1 . . . . . 34 V CA . 50942 1 139 . 1 . 1 37 37 VAL CB C 13 32.376 0.05 . 1 . . . . . 34 V CB . 50942 1 140 . 1 . 1 37 37 VAL N N 15 121.068 0.05 . 1 . . . . . 34 V N . 50942 1 141 . 1 . 1 38 38 PHE H H 1 8.952 0.02 . 1 . . . . . 35 F H . 50942 1 142 . 1 . 1 38 38 PHE C C 13 176.093 0.05 . 1 . . . . . 35 F C . 50942 1 143 . 1 . 1 38 38 PHE CA C 13 61.287 0.05 . 1 . . . . . 35 F CA . 50942 1 144 . 1 . 1 38 38 PHE N N 15 118.321 0.05 . 1 . . . . . 35 F N . 50942 1 145 . 1 . 1 39 39 ARG H H 1 8.238 0.02 . 1 . . . . . 36 R H . 50942 1 146 . 1 . 1 39 39 ARG CA C 13 59.597 0.05 . 1 . . . . . 36 R CA . 50942 1 147 . 1 . 1 39 39 ARG N N 15 117.34 0.05 . 1 . . . . . 36 R N . 50942 1 148 . 1 . 1 40 40 SER H H 1 7.901 0.02 . 1 . . . . . 37 S H . 50942 1 149 . 1 . 1 40 40 SER C C 13 174.623 0.05 . 1 . . . . . 37 S C . 50942 1 150 . 1 . 1 40 40 SER CA C 13 61.161 0.05 . 1 . . . . . 37 S CA . 50942 1 151 . 1 . 1 40 40 SER N N 15 113.565 0.05 . 1 . . . . . 37 S N . 50942 1 152 . 1 . 1 41 41 TYR H H 1 8.839 0.02 . 1 . . . . . 38 Y H . 50942 1 153 . 1 . 1 41 41 TYR CA C 13 61.788 0.05 . 1 . . . . . 38 Y CA . 50942 1 154 . 1 . 1 41 41 TYR CB C 13 39.402 0.05 . 1 . . . . . 38 Y CB . 50942 1 155 . 1 . 1 41 41 TYR N N 15 123.283 0.05 . 1 . . . . . 38 Y N . 50942 1 156 . 1 . 1 42 42 VAL H H 1 8.442 0.02 . 1 . . . . . 39 V H . 50942 1 157 . 1 . 1 42 42 VAL N N 15 116.174 0.05 . 1 . . . . . 39 V N . 50942 1 158 . 1 . 1 43 43 PHE C C 13 178.027 0.05 . 1 . . . . . 40 F C . 50942 1 159 . 1 . 1 44 44 TYR H H 1 8.574 0.02 . 1 . . . . . 41 Y H . 50942 1 160 . 1 . 1 44 44 TYR C C 13 178.727 0.05 . 1 . . . . . 41 Y C . 50942 1 161 . 1 . 1 44 44 TYR CA C 13 63.049 0.05 . 1 . . . . . 41 Y CA . 50942 1 162 . 1 . 1 44 44 TYR N N 15 118.186 0.05 . 1 . . . . . 41 Y N . 50942 1 163 . 1 . 1 45 45 ARG H H 1 8.882 0.02 . 1 . . . . . 42 R H . 50942 1 164 . 1 . 1 45 45 ARG CA C 13 57.77 0.05 . 1 . . . . . 42 R CA . 50942 1 165 . 1 . 1 45 45 ARG CB C 13 27.863 0.05 . 1 . . . . . 42 R CB . 50942 1 166 . 1 . 1 45 45 ARG N N 15 122.497 0.05 . 1 . . . . . 42 R N . 50942 1 167 . 1 . 1 52 52 ALA H H 1 7.656 0.02 . 1 . . . . . 49 A H . 50942 1 168 . 1 . 1 52 52 ALA C C 13 178.004 0.05 . 1 . . . . . 49 A C . 50942 1 169 . 1 . 1 52 52 ALA CA C 13 52.868 0.05 . 1 . . . . . 49 A CA . 50942 1 170 . 1 . 1 52 52 ALA CB C 13 19.576 0.05 . 1 . . . . . 49 A CB . 50942 1 171 . 1 . 1 52 52 ALA N N 15 122.963 0.05 . 1 . . . . . 49 A N . 50942 1 172 . 1 . 1 53 53 GLU H H 1 8.172 0.02 . 1 . . . . . 50 E H . 50942 1 173 . 1 . 1 53 53 GLU C C 13 177.234 0.05 . 1 . . . . . 50 E C . 50942 1 174 . 1 . 1 53 53 GLU CA C 13 56.519 0.05 . 1 . . . . . 50 E CA . 50942 1 175 . 1 . 1 53 53 GLU CB C 13 30.597 0.05 . 1 . . . . . 50 E CB . 50942 1 176 . 1 . 1 53 53 GLU N N 15 118.758 0.05 . 1 . . . . . 50 E N . 50942 1 177 . 1 . 1 54 54 GLY H H 1 8.198 0.02 . 1 . . . . . 51 G H . 50942 1 178 . 1 . 1 54 54 GLY C C 13 174.022 0.05 . 1 . . . . . 51 G C . 50942 1 179 . 1 . 1 54 54 GLY CA C 13 45.327 0.05 . 1 . . . . . 51 G CA . 50942 1 180 . 1 . 1 54 54 GLY N N 15 110.437 0.05 . 1 . . . . . 51 G N . 50942 1 181 . 1 . 1 55 55 VAL H H 1 7.62 0.02 . 1 . . . . . 52 V H . 50942 1 182 . 1 . 1 55 55 VAL C C 13 175.29 0.05 . 1 . . . . . 52 V C . 50942 1 183 . 1 . 1 55 55 VAL CA C 13 61.64 0.05 . 1 . . . . . 52 V CA . 50942 1 184 . 1 . 1 55 55 VAL CB C 13 33.162 0.05 . 1 . . . . . 52 V CB . 50942 1 185 . 1 . 1 55 55 VAL N N 15 119.077 0.05 . 1 . . . . . 52 V N . 50942 1 186 . 1 . 1 56 56 ALA H H 1 8.286 0.02 . 1 . . . . . 53 A H . 50942 1 187 . 1 . 1 56 56 ALA C C 13 175.882 0.05 . 1 . . . . . 53 A C . 50942 1 188 . 1 . 1 56 56 ALA CA C 13 51.826 0.05 . 1 . . . . . 53 A CA . 50942 1 189 . 1 . 1 56 56 ALA CB C 13 19.607 0.05 . 1 . . . . . 53 A CB . 50942 1 190 . 1 . 1 56 56 ALA N N 15 127.886 0.05 . 1 . . . . . 53 A N . 50942 1 191 . 1 . 1 57 57 ALA H H 1 7.908 0.02 . 1 . . . . . 54 A H . 50942 1 192 . 1 . 1 57 57 ALA CA C 13 51.909 0.05 . 1 . . . . . 54 A CA . 50942 1 193 . 1 . 1 57 57 ALA CB C 13 19.655 0.05 . 1 . . . . . 54 A CB . 50942 1 194 . 1 . 1 57 57 ALA N N 15 121.868 0.05 . 1 . . . . . 54 A N . 50942 1 195 . 1 . 1 71 71 SER C C 13 174.471 0.05 . 1 . . . . . 68 S C . 50942 1 196 . 1 . 1 71 71 SER CA C 13 57.74 0.05 . 1 . . . . . 68 S CA . 50942 1 197 . 1 . 1 72 72 SER H H 1 7.79 0.02 . 1 . . . . . 69 S H . 50942 1 198 . 1 . 1 72 72 SER CA C 13 57.248 0.05 . 1 . . . . . 69 S CA . 50942 1 199 . 1 . 1 72 72 SER CB C 13 65.05 0.05 . 1 . . . . . 69 S CB . 50942 1 200 . 1 . 1 72 72 SER N N 15 118.479 0.05 . 1 . . . . . 69 S N . 50942 1 201 . 1 . 1 73 73 THR C C 13 176.165 0.05 . 1 . . . . . 70 T C . 50942 1 202 . 1 . 1 73 73 THR CB C 13 68.025 0.05 . 1 . . . . . 70 T CB . 50942 1 203 . 1 . 1 74 74 MET H H 1 8.531 0.02 . 1 . . . . . 71 M H . 50942 1 204 . 1 . 1 74 74 MET C C 13 178.954 0.05 . 1 . . . . . 71 M C . 50942 1 205 . 1 . 1 74 74 MET CA C 13 55.996 0.05 . 1 . . . . . 71 M CA . 50942 1 206 . 1 . 1 74 74 MET CB C 13 32.159 0.05 . 1 . . . . . 71 M CB . 50942 1 207 . 1 . 1 74 74 MET N N 15 118.439 0.05 . 1 . . . . . 71 M N . 50942 1 208 . 1 . 1 75 75 GLY H H 1 8.088 0.02 . 1 . . . . . 72 G H . 50942 1 209 . 1 . 1 75 75 GLY C C 13 176.699 0.05 . 1 . . . . . 72 G C . 50942 1 210 . 1 . 1 75 75 GLY CA C 13 46.658 0.05 . 1 . . . . . 72 G CA . 50942 1 211 . 1 . 1 75 75 GLY N N 15 109.791 0.05 . 1 . . . . . 72 G N . 50942 1 212 . 1 . 1 76 76 GLN H H 1 7.932 0.02 . 1 . . . . . 73 Q H . 50942 1 213 . 1 . 1 76 76 GLN C C 13 178.755 0.05 . 1 . . . . . 73 Q C . 50942 1 214 . 1 . 1 76 76 GLN CA C 13 58.306 0.05 . 1 . . . . . 73 Q CA . 50942 1 215 . 1 . 1 76 76 GLN CB C 13 28.638 0.05 . 1 . . . . . 73 Q CB . 50942 1 216 . 1 . 1 76 76 GLN N N 15 122.256 0.05 . 1 . . . . . 73 Q N . 50942 1 217 . 1 . 1 77 77 VAL H H 1 8.144 0.02 . 1 . . . . . 74 V H . 50942 1 218 . 1 . 1 77 77 VAL C C 13 177.341 0.05 . 1 . . . . . 74 V C . 50942 1 219 . 1 . 1 77 77 VAL CA C 13 66.837 0.05 . 1 . . . . . 74 V CA . 50942 1 220 . 1 . 1 77 77 VAL CB C 13 31.704 0.05 . 1 . . . . . 74 V CB . 50942 1 221 . 1 . 1 77 77 VAL N N 15 121.96 0.05 . 1 . . . . . 74 V N . 50942 1 222 . 1 . 1 78 78 GLY H H 1 8.214 0.02 . 1 . . . . . 75 G H . 50942 1 223 . 1 . 1 78 78 GLY C C 13 174.543 0.05 . 1 . . . . . 75 G C . 50942 1 224 . 1 . 1 78 78 GLY CA C 13 48.176 0.05 . 1 . . . . . 75 G CA . 50942 1 225 . 1 . 1 78 78 GLY N N 15 105.736 0.05 . 1 . . . . . 75 G N . 50942 1 226 . 1 . 1 79 79 ARG H H 1 7.62 0.02 . 1 . . . . . 76 R H . 50942 1 227 . 1 . 1 79 79 ARG C C 13 177.265 0.05 . 1 . . . . . 76 R C . 50942 1 228 . 1 . 1 79 79 ARG CA C 13 59.294 0.05 . 1 . . . . . 76 R CA . 50942 1 229 . 1 . 1 79 79 ARG CB C 13 30.724 0.05 . 1 . . . . . 76 R CB . 50942 1 230 . 1 . 1 79 79 ARG N N 15 120.091 0.05 . 1 . . . . . 76 R N . 50942 1 231 . 1 . 1 80 80 GLN H H 1 7.966 0.02 . 1 . . . . . 77 Q H . 50942 1 232 . 1 . 1 80 80 GLN C C 13 178.693 0.05 . 1 . . . . . 77 Q C . 50942 1 233 . 1 . 1 80 80 GLN CA C 13 58.079 0.05 . 1 . . . . . 77 Q CA . 50942 1 234 . 1 . 1 80 80 GLN CB C 13 28.365 0.05 . 1 . . . . . 77 Q CB . 50942 1 235 . 1 . 1 80 80 GLN N N 15 118.006 0.05 . 1 . . . . . 77 Q N . 50942 1 236 . 1 . 1 81 81 LEU H H 1 8.469 0.02 . 1 . . . . . 78 L H . 50942 1 237 . 1 . 1 81 81 LEU C C 13 178.495 0.05 . 1 . . . . . 78 L C . 50942 1 238 . 1 . 1 81 81 LEU CA C 13 57.191 0.05 . 1 . . . . . 78 L CA . 50942 1 239 . 1 . 1 81 81 LEU CB C 13 41.512 0.05 . 1 . . . . . 78 L CB . 50942 1 240 . 1 . 1 81 81 LEU N N 15 117.384 0.05 . 1 . . . . . 78 L N . 50942 1 241 . 1 . 1 82 82 ALA H H 1 7.853 0.02 . 1 . . . . . 79 A H . 50942 1 242 . 1 . 1 82 82 ALA C C 13 178.763 0.05 . 1 . . . . . 79 A C . 50942 1 243 . 1 . 1 82 82 ALA CA C 13 54.53 0.05 . 1 . . . . . 79 A CA . 50942 1 244 . 1 . 1 82 82 ALA CB C 13 18.269 0.05 . 1 . . . . . 79 A CB . 50942 1 245 . 1 . 1 82 82 ALA N N 15 121.763 0.05 . 1 . . . . . 79 A N . 50942 1 246 . 1 . 1 83 83 ILE H H 1 7.573 0.02 . 1 . . . . . 80 I H . 50942 1 247 . 1 . 1 83 83 ILE CA C 13 63.051 0.05 . 1 . . . . . 80 I CA . 50942 1 248 . 1 . 1 83 83 ILE CB C 13 39.016 0.05 . 1 . . . . . 80 I CB . 50942 1 249 . 1 . 1 83 83 ILE N N 15 117.002 0.05 . 1 . . . . . 80 I N . 50942 1 250 . 1 . 1 84 84 ILE C C 13 177.105 0.05 . 1 . . . . . 81 I C . 50942 1 251 . 1 . 1 84 84 ILE CA C 13 62.575 0.05 . 1 . . . . . 81 I CA . 50942 1 252 . 1 . 1 84 84 ILE CB C 13 38.762 0.05 . 1 . . . . . 81 I CB . 50942 1 253 . 1 . 1 85 85 GLY H H 1 8.043 0.02 . 1 . . . . . 82 G H . 50942 1 254 . 1 . 1 85 85 GLY C C 13 173.762 0.05 . 1 . . . . . 82 G C . 50942 1 255 . 1 . 1 85 85 GLY CA C 13 45.8 0.05 . 1 . . . . . 82 G CA . 50942 1 256 . 1 . 1 85 85 GLY N N 15 110.277 0.05 . 1 . . . . . 82 G N . 50942 1 257 . 1 . 1 86 86 ASP H H 1 7.658 0.02 . 1 . . . . . 83 D H . 50942 1 258 . 1 . 1 86 86 ASP C C 13 176.601 0.05 . 1 . . . . . 83 D C . 50942 1 259 . 1 . 1 86 86 ASP CA C 13 56.389 0.05 . 1 . . . . . 83 D CA . 50942 1 260 . 1 . 1 86 86 ASP CB C 13 42.404 0.05 . 1 . . . . . 83 D CB . 50942 1 261 . 1 . 1 86 86 ASP N N 15 121.657 0.05 . 1 . . . . . 83 D N . 50942 1 262 . 1 . 1 87 87 ASP H H 1 8.477 0.02 . 1 . . . . . 84 D H . 50942 1 263 . 1 . 1 87 87 ASP C C 13 178.406 0.05 . 1 . . . . . 84 D C . 50942 1 264 . 1 . 1 87 87 ASP CA C 13 56.882 0.05 . 1 . . . . . 84 D CA . 50942 1 265 . 1 . 1 87 87 ASP CB C 13 41.384 0.05 . 1 . . . . . 84 D CB . 50942 1 266 . 1 . 1 87 87 ASP N N 15 118.944 0.05 . 1 . . . . . 84 D N . 50942 1 267 . 1 . 1 88 88 ILE H H 1 7.857 0.02 . 1 . . . . . 85 I H . 50942 1 268 . 1 . 1 88 88 ILE C C 13 177.513 0.05 . 1 . . . . . 85 I C . 50942 1 269 . 1 . 1 88 88 ILE CA C 13 63.179 0.05 . 1 . . . . . 85 I CA . 50942 1 270 . 1 . 1 88 88 ILE CB C 13 37.767 0.05 . 1 . . . . . 85 I CB . 50942 1 271 . 1 . 1 88 88 ILE N N 15 120.519 0.05 . 1 . . . . . 85 I N . 50942 1 272 . 1 . 1 89 89 ASN H H 1 8.362 0.02 . 1 . . . . . 86 N H . 50942 1 273 . 1 . 1 89 89 ASN C C 13 177.398 0.05 . 1 . . . . . 86 N C . 50942 1 274 . 1 . 1 89 89 ASN CA C 13 55.781 0.05 . 1 . . . . . 86 N CA . 50942 1 275 . 1 . 1 89 89 ASN CB C 13 38.724 0.05 . 1 . . . . . 86 N CB . 50942 1 276 . 1 . 1 89 89 ASN N N 15 119.985 0.05 . 1 . . . . . 86 N N . 50942 1 277 . 1 . 1 90 90 ARG H H 1 8.113 0.02 . 1 . . . . . 87 R H . 50942 1 278 . 1 . 1 90 90 ARG C C 13 178.137 0.05 . 1 . . . . . 87 R C . 50942 1 279 . 1 . 1 90 90 ARG CA C 13 58.986 0.05 . 1 . . . . . 87 R CA . 50942 1 280 . 1 . 1 90 90 ARG CB C 13 30.322 0.05 . 1 . . . . . 87 R CB . 50942 1 281 . 1 . 1 90 90 ARG N N 15 120.052 0.05 . 1 . . . . . 87 R N . 50942 1 282 . 1 . 1 91 91 ARG H H 1 7.748 0.02 . 1 . . . . . 88 R H . 50942 1 283 . 1 . 1 91 91 ARG CA C 13 58.227 0.05 . 1 . . . . . 88 R CA . 50942 1 284 . 1 . 1 91 91 ARG CB C 13 30.075 0.05 . 1 . . . . . 88 R CB . 50942 1 285 . 1 . 1 91 91 ARG N N 15 120.128 0.05 . 1 . . . . . 88 R N . 50942 1 286 . 1 . 1 92 92 TYR C C 13 176.416 0.05 . 1 . . . . . 89 Y C . 50942 1 287 . 1 . 1 93 93 ASP H H 1 8.376 0.02 . 1 . . . . . 90 D H . 50942 1 288 . 1 . 1 93 93 ASP C C 13 178.254 0.05 . 1 . . . . . 90 D C . 50942 1 289 . 1 . 1 93 93 ASP CA C 13 58.65 0.05 . 1 . . . . . 90 D CA . 50942 1 290 . 1 . 1 93 93 ASP CB C 13 42.346 0.05 . 1 . . . . . 90 D CB . 50942 1 291 . 1 . 1 93 93 ASP N N 15 119.034 0.05 . 1 . . . . . 90 D N . 50942 1 292 . 1 . 1 94 94 SER H H 1 8.126 0.02 . 1 . . . . . 91 S H . 50942 1 293 . 1 . 1 94 94 SER C C 13 176.915 0.05 . 1 . . . . . 91 S C . 50942 1 294 . 1 . 1 94 94 SER CB C 13 62.46 0.05 . 1 . . . . . 91 S CB . 50942 1 295 . 1 . 1 94 94 SER N N 15 113.529 0.05 . 1 . . . . . 91 S N . 50942 1 296 . 1 . 1 95 95 GLU H H 1 7.692 0.02 . 1 . . . . . 92 E H . 50942 1 297 . 1 . 1 95 95 GLU C C 13 179.242 0.05 . 1 . . . . . 92 E C . 50942 1 298 . 1 . 1 95 95 GLU CA C 13 58.942 0.05 . 1 . . . . . 92 E CA . 50942 1 299 . 1 . 1 95 95 GLU CB C 13 29.369 0.05 . 1 . . . . . 92 E CB . 50942 1 300 . 1 . 1 95 95 GLU N N 15 124.069 0.05 . 1 . . . . . 92 E N . 50942 1 301 . 1 . 1 96 96 PHE H H 1 8.748 0.02 . 1 . . . . . 93 F H . 50942 1 302 . 1 . 1 96 96 PHE C C 13 178.102 0.05 . 1 . . . . . 93 F C . 50942 1 303 . 1 . 1 96 96 PHE CA C 13 57.6 0.05 . 1 . . . . . 93 F CA . 50942 1 304 . 1 . 1 96 96 PHE CB C 13 38.147 0.05 . 1 . . . . . 93 F CB . 50942 1 305 . 1 . 1 96 96 PHE N N 15 119.218 0.05 . 1 . . . . . 93 F N . 50942 1 306 . 1 . 1 97 97 GLN H H 1 8.422 0.02 . 1 . . . . . 94 Q H . 50942 1 307 . 1 . 1 97 97 GLN C C 13 178.467 0.05 . 1 . . . . . 94 Q C . 50942 1 308 . 1 . 1 97 97 GLN CA C 13 59.66 0.05 . 1 . . . . . 94 Q CA . 50942 1 309 . 1 . 1 97 97 GLN CB C 13 29.571 0.05 . 1 . . . . . 94 Q CB . 50942 1 310 . 1 . 1 97 97 GLN N N 15 118.167 0.05 . 1 . . . . . 94 Q N . 50942 1 311 . 1 . 1 98 98 THR H H 1 8.037 0.02 . 1 . . . . . 95 T H . 50942 1 312 . 1 . 1 98 98 THR C C 13 176.584 0.05 . 1 . . . . . 95 T C . 50942 1 313 . 1 . 1 98 98 THR CB C 13 67.574 0.05 . 1 . . . . . 95 T CB . 50942 1 314 . 1 . 1 98 98 THR N N 15 116.361 0.05 . 1 . . . . . 95 T N . 50942 1 315 . 1 . 1 99 99 MET H H 1 8.248 0.02 . 1 . . . . . 96 M H . 50942 1 316 . 1 . 1 99 99 MET C C 13 178.447 0.05 . 1 . . . . . 96 M C . 50942 1 317 . 1 . 1 99 99 MET CA C 13 58.524 0.05 . 1 . . . . . 96 M CA . 50942 1 318 . 1 . 1 99 99 MET CB C 13 33.593 0.05 . 1 . . . . . 96 M CB . 50942 1 319 . 1 . 1 99 99 MET N N 15 121.016 0.05 . 1 . . . . . 96 M N . 50942 1 320 . 1 . 1 100 100 LEU H H 1 8.029 0.02 . 1 . . . . . 97 L H . 50942 1 321 . 1 . 1 100 100 LEU C C 13 177.242 0.05 . 1 . . . . . 97 L C . 50942 1 322 . 1 . 1 100 100 LEU CA C 13 56.454 0.05 . 1 . . . . . 97 L CA . 50942 1 323 . 1 . 1 100 100 LEU CB C 13 41.736 0.05 . 1 . . . . . 97 L CB . 50942 1 324 . 1 . 1 100 100 LEU N N 15 119.237 0.05 . 1 . . . . . 97 L N . 50942 1 325 . 1 . 1 101 101 GLN H H 1 7.346 0.02 . 1 . . . . . 98 Q H . 50942 1 326 . 1 . 1 101 101 GLN C C 13 176.804 0.05 . 1 . . . . . 98 Q C . 50942 1 327 . 1 . 1 101 101 GLN CA C 13 58.082 0.05 . 1 . . . . . 98 Q CA . 50942 1 328 . 1 . 1 101 101 GLN CB C 13 28.757 0.05 . 1 . . . . . 98 Q CB . 50942 1 329 . 1 . 1 101 101 GLN N N 15 116.484 0.05 . 1 . . . . . 98 Q N . 50942 1 330 . 1 . 1 102 102 HIS H H 1 7.563 0.02 . 1 . . . . . 99 H H . 50942 1 331 . 1 . 1 102 102 HIS CA C 13 56.094 0.05 . 1 . . . . . 99 H CA . 50942 1 332 . 1 . 1 102 102 HIS CB C 13 28.659 0.05 . 1 . . . . . 99 H CB . 50942 1 333 . 1 . 1 102 102 HIS N N 15 115.846 0.05 . 1 . . . . . 99 H N . 50942 1 334 . 1 . 1 105 105 PRO C C 13 174.693 0.05 . 1 . . . . . 102 P C . 50942 1 335 . 1 . 1 105 105 PRO CA C 13 62.586 0.05 . 1 . . . . . 102 P CA . 50942 1 336 . 1 . 1 105 105 PRO CB C 13 31.238 0.05 . 1 . . . . . 102 P CB . 50942 1 337 . 1 . 1 106 106 THR H H 1 8.718 0.02 . 1 . . . . . 103 T H . 50942 1 338 . 1 . 1 106 106 THR C C 13 173.865 0.05 . 1 . . . . . 103 T C . 50942 1 339 . 1 . 1 106 106 THR CA C 13 58.647 0.05 . 1 . . . . . 103 T CA . 50942 1 340 . 1 . 1 106 106 THR CB C 13 72.658 0.05 . 1 . . . . . 103 T CB . 50942 1 341 . 1 . 1 106 106 THR N N 15 113.704 0.05 . 1 . . . . . 103 T N . 50942 1 342 . 1 . 1 107 107 ALA H H 1 8.953 0.02 . 1 . . . . . 104 A H . 50942 1 343 . 1 . 1 107 107 ALA C C 13 179.644 0.05 . 1 . . . . . 104 A C . 50942 1 344 . 1 . 1 107 107 ALA CA C 13 54.893 0.05 . 1 . . . . . 104 A CA . 50942 1 345 . 1 . 1 107 107 ALA CB C 13 18.57 0.05 . 1 . . . . . 104 A CB . 50942 1 346 . 1 . 1 107 107 ALA N N 15 123.368 0.05 . 1 . . . . . 104 A N . 50942 1 347 . 1 . 1 108 108 GLU H H 1 8.475 0.02 . 1 . . . . . 105 E H . 50942 1 348 . 1 . 1 108 108 GLU CA C 13 59.058 0.05 . 1 . . . . . 105 E CA . 50942 1 349 . 1 . 1 108 108 GLU CB C 13 29.985 0.05 . 1 . . . . . 105 E CB . 50942 1 350 . 1 . 1 108 108 GLU N N 15 116.151 0.05 . 1 . . . . . 105 E N . 50942 1 351 . 1 . 1 109 109 ASN H H 1 7.871 0.02 . 1 . . . . . 106 N H . 50942 1 352 . 1 . 1 109 109 ASN C C 13 177.647 0.05 . 1 . . . . . 106 N C . 50942 1 353 . 1 . 1 109 109 ASN CA C 13 53.6 0.05 . 1 . . . . . 106 N CA . 50942 1 354 . 1 . 1 109 109 ASN N N 15 118.193 0.05 . 1 . . . . . 106 N N . 50942 1 355 . 1 . 1 110 110 ALA H H 1 8.269 0.02 . 1 . . . . . 107 A H . 50942 1 356 . 1 . 1 110 110 ALA CA C 13 55.953 0.05 . 1 . . . . . 107 A CA . 50942 1 357 . 1 . 1 110 110 ALA CB C 13 18.615 0.05 . 1 . . . . . 107 A CB . 50942 1 358 . 1 . 1 110 110 ALA N N 15 123.003 0.05 . 1 . . . . . 107 A N . 50942 1 359 . 1 . 1 113 113 TYR C C 13 177.045 0.05 . 1 . . . . . 110 Y C . 50942 1 360 . 1 . 1 114 114 PHE H H 1 8.878 0.02 . 1 . . . . . 111 F H . 50942 1 361 . 1 . 1 114 114 PHE C C 13 175.723 0.05 . 1 . . . . . 111 F C . 50942 1 362 . 1 . 1 114 114 PHE CA C 13 61.2 0.05 . 1 . . . . . 111 F CA . 50942 1 363 . 1 . 1 114 114 PHE CB C 13 39.386 0.05 . 1 . . . . . 111 F CB . 50942 1 364 . 1 . 1 114 114 PHE N N 15 118.943 0.05 . 1 . . . . . 111 F N . 50942 1 365 . 1 . 1 115 115 THR H H 1 8.263 0.02 . 1 . . . . . 112 T H . 50942 1 366 . 1 . 1 115 115 THR C C 13 176.499 0.05 . 1 . . . . . 112 T C . 50942 1 367 . 1 . 1 115 115 THR CB C 13 67.908 0.05 . 1 . . . . . 112 T CB . 50942 1 368 . 1 . 1 115 115 THR N N 15 114.528 0.05 . 1 . . . . . 112 T N . 50942 1 369 . 1 . 1 116 116 LYS H H 1 7.731 0.02 . 1 . . . . . 113 K H . 50942 1 370 . 1 . 1 116 116 LYS C C 13 178.368 0.05 . 1 . . . . . 113 K C . 50942 1 371 . 1 . 1 116 116 LYS CA C 13 59.434 0.05 . 1 . . . . . 113 K CA . 50942 1 372 . 1 . 1 116 116 LYS CB C 13 32.83 0.05 . 1 . . . . . 113 K CB . 50942 1 373 . 1 . 1 116 116 LYS N N 15 124.572 0.05 . 1 . . . . . 113 K N . 50942 1 374 . 1 . 1 117 117 ILE H H 1 7.548 0.02 . 1 . . . . . 114 I H . 50942 1 375 . 1 . 1 117 117 ILE C C 13 178.12 0.05 . 1 . . . . . 114 I C . 50942 1 376 . 1 . 1 117 117 ILE CA C 13 62.861 0.05 . 1 . . . . . 114 I CA . 50942 1 377 . 1 . 1 117 117 ILE CB C 13 36.668 0.05 . 1 . . . . . 114 I CB . 50942 1 378 . 1 . 1 117 117 ILE N N 15 120.459 0.05 . 1 . . . . . 114 I N . 50942 1 379 . 1 . 1 118 118 ALA H H 1 8.377 0.02 . 1 . . . . . 115 A H . 50942 1 380 . 1 . 1 118 118 ALA C C 13 178.332 0.05 . 1 . . . . . 115 A C . 50942 1 381 . 1 . 1 118 118 ALA CA C 13 55.186 0.05 . 1 . . . . . 115 A CA . 50942 1 382 . 1 . 1 118 118 ALA CB C 13 17.149 0.05 . 1 . . . . . 115 A CB . 50942 1 383 . 1 . 1 118 118 ALA N N 15 123.972 0.05 . 1 . . . . . 115 A N . 50942 1 384 . 1 . 1 119 119 THR H H 1 7.595 0.02 . 1 . . . . . 116 T H . 50942 1 385 . 1 . 1 119 119 THR C C 13 177.261 0.05 . 1 . . . . . 116 T C . 50942 1 386 . 1 . 1 119 119 THR CB C 13 68.499 0.05 . 1 . . . . . 116 T CB . 50942 1 387 . 1 . 1 119 119 THR N N 15 111.175 0.05 . 1 . . . . . 116 T N . 50942 1 388 . 1 . 1 120 120 SER H H 1 7.187 0.02 . 1 . . . . . 117 S H . 50942 1 389 . 1 . 1 120 120 SER C C 13 175.828 0.05 . 1 . . . . . 117 S C . 50942 1 390 . 1 . 1 120 120 SER CA C 13 61.135 0.05 . 1 . . . . . 117 S CA . 50942 1 391 . 1 . 1 120 120 SER CB C 13 63.241 0.05 . 1 . . . . . 117 S CB . 50942 1 392 . 1 . 1 120 120 SER N N 15 118.149 0.05 . 1 . . . . . 117 S N . 50942 1 393 . 1 . 1 121 121 LEU H H 1 7.519 0.02 . 1 . . . . . 118 L H . 50942 1 394 . 1 . 1 121 121 LEU C C 13 177.733 0.05 . 1 . . . . . 118 L C . 50942 1 395 . 1 . 1 121 121 LEU CA C 13 56.586 0.05 . 1 . . . . . 118 L CA . 50942 1 396 . 1 . 1 121 121 LEU CB C 13 42.834 0.05 . 1 . . . . . 118 L CB . 50942 1 397 . 1 . 1 121 121 LEU N N 15 122.227 0.05 . 1 . . . . . 118 L N . 50942 1 398 . 1 . 1 122 122 PHE H H 1 6.933 0.02 . 1 . . . . . 119 F H . 50942 1 399 . 1 . 1 122 122 PHE C C 13 176.15 0.05 . 1 . . . . . 119 F C . 50942 1 400 . 1 . 1 122 122 PHE CA C 13 57.851 0.05 . 1 . . . . . 119 F CA . 50942 1 401 . 1 . 1 122 122 PHE CB C 13 39.921 0.05 . 1 . . . . . 119 F CB . 50942 1 402 . 1 . 1 122 122 PHE N N 15 112.857 0.05 . 1 . . . . . 119 F N . 50942 1 403 . 1 . 1 123 123 GLU H H 1 7.303 0.02 . 1 . . . . . 120 E H . 50942 1 404 . 1 . 1 123 123 GLU CA C 13 59.367 0.05 . 1 . . . . . 120 E CA . 50942 1 405 . 1 . 1 123 123 GLU CB C 13 30.008 0.05 . 1 . . . . . 120 E CB . 50942 1 406 . 1 . 1 123 123 GLU N N 15 123.479 0.05 . 1 . . . . . 120 E N . 50942 1 407 . 1 . 1 124 124 SER C C 13 173.722 0.05 . 1 . . . . . 121 S C . 50942 1 408 . 1 . 1 124 124 SER CA C 13 57.446 0.05 . 1 . . . . . 121 S CA . 50942 1 409 . 1 . 1 124 124 SER CB C 13 63.708 0.05 . 1 . . . . . 121 S CB . 50942 1 410 . 1 . 1 125 125 GLY H H 1 7.453 0.02 . 1 . . . . . 122 G H . 50942 1 411 . 1 . 1 125 125 GLY C C 13 171.731 0.05 . 1 . . . . . 122 G C . 50942 1 412 . 1 . 1 125 125 GLY CA C 13 43.469 0.05 . 1 . . . . . 122 G CA . 50942 1 413 . 1 . 1 125 125 GLY N N 15 110.489 0.05 . 1 . . . . . 122 G N . 50942 1 414 . 1 . 1 126 126 ILE H H 1 8.211 0.02 . 1 . . . . . 123 I H . 50942 1 415 . 1 . 1 126 126 ILE C C 13 174.231 0.05 . 1 . . . . . 123 I C . 50942 1 416 . 1 . 1 126 126 ILE CA C 13 61.63 0.05 . 1 . . . . . 123 I CA . 50942 1 417 . 1 . 1 126 126 ILE CB C 13 40.347 0.05 . 1 . . . . . 123 I CB . 50942 1 418 . 1 . 1 126 126 ILE N N 15 118.521 0.05 . 1 . . . . . 123 I N . 50942 1 419 . 1 . 1 127 127 ASN H H 1 6.464 0.02 . 1 . . . . . 124 N H . 50942 1 420 . 1 . 1 127 127 ASN C C 13 174.634 0.05 . 1 . . . . . 124 N C . 50942 1 421 . 1 . 1 127 127 ASN CA C 13 51.383 0.05 . 1 . . . . . 124 N CA . 50942 1 422 . 1 . 1 127 127 ASN CB C 13 40.228 0.05 . 1 . . . . . 124 N CB . 50942 1 423 . 1 . 1 127 127 ASN N N 15 117.81 0.05 . 1 . . . . . 124 N N . 50942 1 424 . 1 . 1 128 128 TRP H H 1 9.193 0.02 . 1 . . . . . 125 W H . 50942 1 425 . 1 . 1 128 128 TRP C C 13 178.195 0.05 . 1 . . . . . 125 W C . 50942 1 426 . 1 . 1 128 128 TRP CA C 13 60.972 0.05 . 1 . . . . . 125 W CA . 50942 1 427 . 1 . 1 128 128 TRP CB C 13 30.789 0.05 . 1 . . . . . 125 W CB . 50942 1 428 . 1 . 1 128 128 TRP N N 15 120.075 0.05 . 1 . . . . . 125 W N . 50942 1 429 . 1 . 1 129 129 GLY H H 1 8.654 0.02 . 1 . . . . . 126 G H . 50942 1 430 . 1 . 1 129 129 GLY C C 13 175.98 0.05 . 1 . . . . . 126 G C . 50942 1 431 . 1 . 1 129 129 GLY CA C 13 47.25 0.05 . 1 . . . . . 126 G CA . 50942 1 432 . 1 . 1 129 129 GLY N N 15 107.594 0.05 . 1 . . . . . 126 G N . 50942 1 433 . 1 . 1 130 130 ARG H H 1 7.911 0.02 . 1 . . . . . 127 R H . 50942 1 434 . 1 . 1 130 130 ARG C C 13 177.133 0.05 . 1 . . . . . 127 R C . 50942 1 435 . 1 . 1 130 130 ARG CA C 13 57.873 0.05 . 1 . . . . . 127 R CA . 50942 1 436 . 1 . 1 130 130 ARG CB C 13 30.992 0.05 . 1 . . . . . 127 R CB . 50942 1 437 . 1 . 1 130 130 ARG N N 15 120.923 0.05 . 1 . . . . . 127 R N . 50942 1 438 . 1 . 1 131 131 VAL H H 1 7.673 0.02 . 1 . . . . . 128 V H . 50942 1 439 . 1 . 1 131 131 VAL C C 13 177.187 0.05 . 1 . . . . . 128 V C . 50942 1 440 . 1 . 1 131 131 VAL CA C 13 67.979 0.05 . 1 . . . . . 128 V CA . 50942 1 441 . 1 . 1 131 131 VAL CB C 13 31.765 0.05 . 1 . . . . . 128 V CB . 50942 1 442 . 1 . 1 131 131 VAL N N 15 120.442 0.05 . 1 . . . . . 128 V N . 50942 1 443 . 1 . 1 132 132 VAL H H 1 8.396 0.02 . 1 . . . . . 129 V H . 50942 1 444 . 1 . 1 132 132 VAL C C 13 177.879 0.05 . 1 . . . . . 129 V C . 50942 1 445 . 1 . 1 132 132 VAL CA C 13 67.133 0.05 . 1 . . . . . 129 V CA . 50942 1 446 . 1 . 1 132 132 VAL CB C 13 31.707 0.05 . 1 . . . . . 129 V CB . 50942 1 447 . 1 . 1 132 132 VAL N N 15 119.009 0.05 . 1 . . . . . 129 V N . 50942 1 448 . 1 . 1 133 133 ALA H H 1 8.16 0.02 . 1 . . . . . 130 A H . 50942 1 449 . 1 . 1 133 133 ALA C C 13 178.415 0.05 . 1 . . . . . 130 A C . 50942 1 450 . 1 . 1 133 133 ALA CA C 13 54.621 0.05 . 1 . . . . . 130 A CA . 50942 1 451 . 1 . 1 133 133 ALA CB C 13 18.117 0.05 . 1 . . . . . 130 A CB . 50942 1 452 . 1 . 1 133 133 ALA N N 15 123.961 0.05 . 1 . . . . . 130 A N . 50942 1 453 . 1 . 1 134 134 LEU H H 1 8.026 0.02 . 1 . . . . . 131 L H . 50942 1 454 . 1 . 1 134 134 LEU C C 13 178.173 0.05 . 1 . . . . . 131 L C . 50942 1 455 . 1 . 1 134 134 LEU CA C 13 57.752 0.05 . 1 . . . . . 131 L CA . 50942 1 456 . 1 . 1 134 134 LEU CB C 13 41.208 0.05 . 1 . . . . . 131 L CB . 50942 1 457 . 1 . 1 134 134 LEU N N 15 120.156 0.05 . 1 . . . . . 131 L N . 50942 1 458 . 1 . 1 135 135 LEU H H 1 7.713 0.02 . 1 . . . . . 132 L H . 50942 1 459 . 1 . 1 135 135 LEU C C 13 179.17 0.05 . 1 . . . . . 132 L C . 50942 1 460 . 1 . 1 135 135 LEU CA C 13 57.994 0.05 . 1 . . . . . 132 L CA . 50942 1 461 . 1 . 1 135 135 LEU CB C 13 39.166 0.05 . 1 . . . . . 132 L CB . 50942 1 462 . 1 . 1 135 135 LEU N N 15 118.988 0.05 . 1 . . . . . 132 L N . 50942 1 463 . 1 . 1 136 136 GLY H H 1 8.76 0.02 . 1 . . . . . 133 G H . 50942 1 464 . 1 . 1 136 136 GLY C C 13 176.605 0.05 . 1 . . . . . 133 G C . 50942 1 465 . 1 . 1 136 136 GLY CA C 13 48.162 0.05 . 1 . . . . . 133 G CA . 50942 1 466 . 1 . 1 136 136 GLY N N 15 108.388 0.05 . 1 . . . . . 133 G N . 50942 1 467 . 1 . 1 137 137 PHE H H 1 9.171 0.02 . 1 . . . . . 134 F H . 50942 1 468 . 1 . 1 137 137 PHE C C 13 176.813 0.05 . 1 . . . . . 134 F C . 50942 1 469 . 1 . 1 137 137 PHE CA C 13 60.222 0.05 . 1 . . . . . 134 F CA . 50942 1 470 . 1 . 1 137 137 PHE CB C 13 37.848 0.05 . 1 . . . . . 134 F CB . 50942 1 471 . 1 . 1 137 137 PHE N N 15 125.919 0.05 . 1 . . . . . 134 F N . 50942 1 472 . 1 . 1 138 138 GLY H H 1 8.745 0.02 . 1 . . . . . 135 G H . 50942 1 473 . 1 . 1 138 138 GLY C C 13 174.562 0.05 . 1 . . . . . 135 G C . 50942 1 474 . 1 . 1 138 138 GLY CA C 13 47.207 0.05 . 1 . . . . . 135 G CA . 50942 1 475 . 1 . 1 138 138 GLY N N 15 107.217 0.05 . 1 . . . . . 135 G N . 50942 1 476 . 1 . 1 139 139 TYR H H 1 8.788 0.02 . 1 . . . . . 136 Y H . 50942 1 477 . 1 . 1 139 139 TYR CA C 13 61.583 0.05 . 1 . . . . . 136 Y CA . 50942 1 478 . 1 . 1 139 139 TYR CB C 13 38.827 0.05 . 1 . . . . . 136 Y CB . 50942 1 479 . 1 . 1 139 139 TYR N N 15 122.23 0.05 . 1 . . . . . 136 Y N . 50942 1 480 . 1 . 1 140 140 ARG C C 13 178.978 0.05 . 1 . . . . . 137 R C . 50942 1 481 . 1 . 1 140 140 ARG CB C 13 30.262 0.05 . 1 . . . . . 137 R CB . 50942 1 482 . 1 . 1 141 141 LEU H H 1 9.177 0.02 . 1 . . . . . 138 L H . 50942 1 483 . 1 . 1 141 141 LEU C C 13 177.265 0.05 . 1 . . . . . 138 L C . 50942 1 484 . 1 . 1 141 141 LEU CA C 13 57.952 0.05 . 1 . . . . . 138 L CA . 50942 1 485 . 1 . 1 141 141 LEU CB C 13 41.633 0.05 . 1 . . . . . 138 L CB . 50942 1 486 . 1 . 1 141 141 LEU N N 15 122.664 0.05 . 1 . . . . . 138 L N . 50942 1 487 . 1 . 1 142 142 ALA H H 1 8.415 0.02 . 1 . . . . . 139 A H . 50942 1 488 . 1 . 1 142 142 ALA C C 13 180.205 0.05 . 1 . . . . . 139 A C . 50942 1 489 . 1 . 1 142 142 ALA CA C 13 55.041 0.05 . 1 . . . . . 139 A CA . 50942 1 490 . 1 . 1 142 142 ALA CB C 13 18.383 0.05 . 1 . . . . . 139 A CB . 50942 1 491 . 1 . 1 142 142 ALA N N 15 121.155 0.05 . 1 . . . . . 139 A N . 50942 1 492 . 1 . 1 143 143 LEU H H 1 8.152 0.02 . 1 . . . . . 140 L H . 50942 1 493 . 1 . 1 143 143 LEU C C 13 177.946 0.05 . 1 . . . . . 140 L C . 50942 1 494 . 1 . 1 143 143 LEU CA C 13 57.527 0.05 . 1 . . . . . 140 L CA . 50942 1 495 . 1 . 1 143 143 LEU CB C 13 42.809 0.05 . 1 . . . . . 140 L CB . 50942 1 496 . 1 . 1 143 143 LEU N N 15 120.059 0.05 . 1 . . . . . 140 L N . 50942 1 497 . 1 . 1 144 144 HIS H H 1 8.365 0.02 . 1 . . . . . 141 H H . 50942 1 498 . 1 . 1 144 144 HIS CA C 13 60.566 0.05 . 1 . . . . . 141 H CA . 50942 1 499 . 1 . 1 144 144 HIS CB C 13 32.851 0.05 . 1 . . . . . 141 H CB . 50942 1 500 . 1 . 1 144 144 HIS N N 15 119.453 0.05 . 1 . . . . . 141 H N . 50942 1 501 . 1 . 1 145 145 VAL H H 1 8.64 0.02 . 1 . . . . . 142 V H . 50942 1 502 . 1 . 1 145 145 VAL C C 13 177.736 0.05 . 1 . . . . . 142 V C . 50942 1 503 . 1 . 1 145 145 VAL N N 15 113.473 0.05 . 1 . . . . . 142 V N . 50942 1 504 . 1 . 1 146 146 TYR H H 1 7.687 0.02 . 1 . . . . . 143 Y H . 50942 1 505 . 1 . 1 146 146 TYR CA C 13 61.76 0.05 . 1 . . . . . 143 Y CA . 50942 1 506 . 1 . 1 146 146 TYR N N 15 123.282 0.05 . 1 . . . . . 143 Y N . 50942 1 507 . 1 . 1 147 147 GLN C C 13 176.722 0.05 . 1 . . . . . 144 Q C . 50942 1 508 . 1 . 1 147 147 GLN CA C 13 57.731 0.05 . 1 . . . . . 144 Q CA . 50942 1 509 . 1 . 1 148 148 HIS H H 1 7.327 0.02 . 1 . . . . . 145 H H . 50942 1 510 . 1 . 1 148 148 HIS C C 13 174.428 0.05 . 1 . . . . . 145 H C . 50942 1 511 . 1 . 1 148 148 HIS CA C 13 56.557 0.05 . 1 . . . . . 145 H CA . 50942 1 512 . 1 . 1 148 148 HIS CB C 13 29.495 0.05 . 1 . . . . . 145 H CB . 50942 1 513 . 1 . 1 148 148 HIS N N 15 115.648 0.05 . 1 . . . . . 145 H N . 50942 1 514 . 1 . 1 149 149 GLY H H 1 7.498 0.02 . 1 . . . . . 146 G H . 50942 1 515 . 1 . 1 149 149 GLY C C 13 174.072 0.05 . 1 . . . . . 146 G C . 50942 1 516 . 1 . 1 149 149 GLY CA C 13 45.452 0.05 . 1 . . . . . 146 G CA . 50942 1 517 . 1 . 1 149 149 GLY N N 15 107.018 0.05 . 1 . . . . . 146 G N . 50942 1 518 . 1 . 1 150 150 LEU H H 1 8.238 0.02 . 1 . . . . . 147 L H . 50942 1 519 . 1 . 1 150 150 LEU CA C 13 55.338 0.05 . 1 . . . . . 147 L CA . 50942 1 520 . 1 . 1 150 150 LEU CB C 13 42.215 0.05 . 1 . . . . . 147 L CB . 50942 1 521 . 1 . 1 150 150 LEU N N 15 120.991 0.05 . 1 . . . . . 147 L N . 50942 1 522 . 1 . 1 156 156 GLN C C 13 176.32 0.05 . 1 . . . . . 153 Q C . 50942 1 523 . 1 . 1 156 156 GLN CA C 13 57.366 0.05 . 1 . . . . . 153 Q CA . 50942 1 524 . 1 . 1 157 157 VAL H H 1 7.251 0.02 . 1 . . . . . 154 V H . 50942 1 525 . 1 . 1 157 157 VAL CA C 13 66.131 0.05 . 1 . . . . . 154 V CA . 50942 1 526 . 1 . 1 157 157 VAL CB C 13 31.508 0.05 . 1 . . . . . 154 V CB . 50942 1 527 . 1 . 1 157 157 VAL N N 15 118.34 0.05 . 1 . . . . . 154 V N . 50942 1 528 . 1 . 1 158 158 THR C C 13 174.68 0.05 . 1 . . . . . 155 T C . 50942 1 529 . 1 . 1 158 158 THR CB C 13 67.759 0.05 . 1 . . . . . 155 T CB . 50942 1 530 . 1 . 1 159 159 ARG H H 1 7.09 0.02 . 1 . . . . . 156 R H . 50942 1 531 . 1 . 1 159 159 ARG C C 13 177.468 0.05 . 1 . . . . . 156 R C . 50942 1 532 . 1 . 1 159 159 ARG CA C 13 58.187 0.05 . 1 . . . . . 156 R CA . 50942 1 533 . 1 . 1 159 159 ARG CB C 13 29.114 0.05 . 1 . . . . . 156 R CB . 50942 1 534 . 1 . 1 159 159 ARG N N 15 120.877 0.05 . 1 . . . . . 156 R N . 50942 1 535 . 1 . 1 160 160 PHE H H 1 8.045 0.02 . 1 . . . . . 157 F H . 50942 1 536 . 1 . 1 160 160 PHE CA C 13 56.449 0.05 . 1 . . . . . 157 F CA . 50942 1 537 . 1 . 1 160 160 PHE CB C 13 35.329 0.05 . 1 . . . . . 157 F CB . 50942 1 538 . 1 . 1 160 160 PHE N N 15 118.349 0.05 . 1 . . . . . 157 F N . 50942 1 539 . 1 . 1 161 161 VAL C C 13 176.923 0.05 . 1 . . . . . 158 V C . 50942 1 540 . 1 . 1 162 162 VAL H H 1 8.247 0.02 . 1 . . . . . 159 V H . 50942 1 541 . 1 . 1 162 162 VAL C C 13 177.806 0.05 . 1 . . . . . 159 V C . 50942 1 542 . 1 . 1 162 162 VAL CA C 13 67.328 0.05 . 1 . . . . . 159 V CA . 50942 1 543 . 1 . 1 162 162 VAL CB C 13 33.07 0.05 . 1 . . . . . 159 V CB . 50942 1 544 . 1 . 1 162 162 VAL N N 15 120.862 0.05 . 1 . . . . . 159 V N . 50942 1 545 . 1 . 1 163 163 ASP H H 1 8.907 0.02 . 1 . . . . . 160 D H . 50942 1 546 . 1 . 1 163 163 ASP C C 13 178.46 0.05 . 1 . . . . . 160 D C . 50942 1 547 . 1 . 1 163 163 ASP CA C 13 57.123 0.05 . 1 . . . . . 160 D CA . 50942 1 548 . 1 . 1 163 163 ASP CB C 13 40.473 0.05 . 1 . . . . . 160 D CB . 50942 1 549 . 1 . 1 163 163 ASP N N 15 119.543 0.05 . 1 . . . . . 160 D N . 50942 1 550 . 1 . 1 164 164 PHE H H 1 8.478 0.02 . 1 . . . . . 161 F H . 50942 1 551 . 1 . 1 164 164 PHE C C 13 177.837 0.05 . 1 . . . . . 161 F C . 50942 1 552 . 1 . 1 164 164 PHE CA C 13 62.181 0.05 . 1 . . . . . 161 F CA . 50942 1 553 . 1 . 1 164 164 PHE CB C 13 40.404 0.05 . 1 . . . . . 161 F CB . 50942 1 554 . 1 . 1 164 164 PHE N N 15 121.383 0.05 . 1 . . . . . 161 F N . 50942 1 555 . 1 . 1 165 165 MET H H 1 8.654 0.02 . 1 . . . . . 162 M H . 50942 1 556 . 1 . 1 165 165 MET C C 13 179.479 0.05 . 1 . . . . . 162 M C . 50942 1 557 . 1 . 1 165 165 MET CA C 13 59.211 0.05 . 1 . . . . . 162 M CA . 50942 1 558 . 1 . 1 165 165 MET CB C 13 32.66 0.05 . 1 . . . . . 162 M CB . 50942 1 559 . 1 . 1 165 165 MET N N 15 116.842 0.05 . 1 . . . . . 162 M N . 50942 1 560 . 1 . 1 166 166 LEU H H 1 8.291 0.02 . 1 . . . . . 163 L H . 50942 1 561 . 1 . 1 166 166 LEU C C 13 179.368 0.05 . 1 . . . . . 163 L C . 50942 1 562 . 1 . 1 166 166 LEU CA C 13 57.587 0.05 . 1 . . . . . 163 L CA . 50942 1 563 . 1 . 1 166 166 LEU CB C 13 42.698 0.05 . 1 . . . . . 163 L CB . 50942 1 564 . 1 . 1 166 166 LEU N N 15 121.604 0.05 . 1 . . . . . 163 L N . 50942 1 565 . 1 . 1 167 167 HIS H H 1 8.452 0.02 . 1 . . . . . 164 H H . 50942 1 566 . 1 . 1 167 167 HIS C C 13 175.943 0.05 . 1 . . . . . 164 H C . 50942 1 567 . 1 . 1 167 167 HIS CA C 13 58.17 0.05 . 1 . . . . . 164 H CA . 50942 1 568 . 1 . 1 167 167 HIS CB C 13 30.697 0.05 . 1 . . . . . 164 H CB . 50942 1 569 . 1 . 1 167 167 HIS N N 15 118.471 0.05 . 1 . . . . . 164 H N . 50942 1 570 . 1 . 1 168 168 HIS H H 1 7.988 0.02 . 1 . . . . . 165 H H . 50942 1 571 . 1 . 1 168 168 HIS C C 13 173.936 0.05 . 1 . . . . . 165 H C . 50942 1 572 . 1 . 1 168 168 HIS CA C 13 55.299 0.05 . 1 . . . . . 165 H CA . 50942 1 573 . 1 . 1 168 168 HIS CB C 13 28.116 0.05 . 1 . . . . . 165 H CB . 50942 1 574 . 1 . 1 168 168 HIS N N 15 116.04 0.05 . 1 . . . . . 165 H N . 50942 1 575 . 1 . 1 169 169 CYS H H 1 7.542 0.02 . 1 . . . . . 166 C H . 50942 1 576 . 1 . 1 169 169 CYS C C 13 174.361 0.05 . 1 . . . . . 166 C C . 50942 1 577 . 1 . 1 169 169 CYS CA C 13 60.752 0.05 . 1 . . . . . 166 C CA . 50942 1 578 . 1 . 1 169 169 CYS CB C 13 25.313 0.05 . 1 . . . . . 166 C CB . 50942 1 579 . 1 . 1 169 169 CYS N N 15 109.28 0.05 . 1 . . . . . 166 C N . 50942 1 580 . 1 . 1 170 170 ILE H H 1 7.845 0.02 . 1 . . . . . 167 I H . 50942 1 581 . 1 . 1 170 170 ILE C C 13 177.388 0.05 . 1 . . . . . 167 I C . 50942 1 582 . 1 . 1 170 170 ILE CA C 13 62.748 0.05 . 1 . . . . . 167 I CA . 50942 1 583 . 1 . 1 170 170 ILE CB C 13 37.769 0.05 . 1 . . . . . 167 I CB . 50942 1 584 . 1 . 1 170 170 ILE N N 15 121.506 0.05 . 1 . . . . . 167 I N . 50942 1 585 . 1 . 1 171 171 ALA H H 1 7.926 0.02 . 1 . . . . . 168 A H . 50942 1 586 . 1 . 1 171 171 ALA C C 13 178.773 0.05 . 1 . . . . . 168 A C . 50942 1 587 . 1 . 1 171 171 ALA CA C 13 54.835 0.05 . 1 . . . . . 168 A CA . 50942 1 588 . 1 . 1 171 171 ALA CB C 13 16.674 0.05 . 1 . . . . . 168 A CB . 50942 1 589 . 1 . 1 171 171 ALA N N 15 123.022 0.05 . 1 . . . . . 168 A N . 50942 1 590 . 1 . 1 172 172 ARG H H 1 7.882 0.02 . 1 . . . . . 169 R H . 50942 1 591 . 1 . 1 172 172 ARG C C 13 176.159 0.05 . 1 . . . . . 169 R C . 50942 1 592 . 1 . 1 172 172 ARG CA C 13 59.306 0.05 . 1 . . . . . 169 R CA . 50942 1 593 . 1 . 1 172 172 ARG CB C 13 30.055 0.05 . 1 . . . . . 169 R CB . 50942 1 594 . 1 . 1 172 172 ARG N N 15 118.745 0.05 . 1 . . . . . 169 R N . 50942 1 595 . 1 . 1 173 173 TRP H H 1 7.27 0.02 . 1 . . . . . 170 W H . 50942 1 596 . 1 . 1 173 173 TRP C C 13 178.393 0.05 . 1 . . . . . 170 W C . 50942 1 597 . 1 . 1 173 173 TRP CA C 13 61.764 0.05 . 1 . . . . . 170 W CA . 50942 1 598 . 1 . 1 173 173 TRP CB C 13 30.028 0.05 . 1 . . . . . 170 W CB . 50942 1 599 . 1 . 1 173 173 TRP N N 15 121.847 0.05 . 1 . . . . . 170 W N . 50942 1 600 . 1 . 1 174 174 ILE H H 1 8.259 0.02 . 1 . . . . . 171 I H . 50942 1 601 . 1 . 1 174 174 ILE C C 13 179.059 0.05 . 1 . . . . . 171 I C . 50942 1 602 . 1 . 1 174 174 ILE CA C 13 65.168 0.05 . 1 . . . . . 171 I CA . 50942 1 603 . 1 . 1 174 174 ILE CB C 13 38.353 0.05 . 1 . . . . . 171 I CB . 50942 1 604 . 1 . 1 174 174 ILE N N 15 118.787 0.05 . 1 . . . . . 171 I N . 50942 1 605 . 1 . 1 175 175 ALA H H 1 8.506 0.02 . 1 . . . . . 172 A H . 50942 1 606 . 1 . 1 175 175 ALA C C 13 180.473 0.05 . 1 . . . . . 172 A C . 50942 1 607 . 1 . 1 175 175 ALA CA C 13 55.477 0.05 . 1 . . . . . 172 A CA . 50942 1 608 . 1 . 1 175 175 ALA CB C 13 17.459 0.05 . 1 . . . . . 172 A CB . 50942 1 609 . 1 . 1 175 175 ALA N N 15 124.234 0.05 . 1 . . . . . 172 A N . 50942 1 610 . 1 . 1 176 176 GLN H H 1 7.956 0.02 . 1 . . . . . 173 Q H . 50942 1 611 . 1 . 1 176 176 GLN C C 13 176.671 0.05 . 1 . . . . . 173 Q C . 50942 1 612 . 1 . 1 176 176 GLN CA C 13 57.738 0.05 . 1 . . . . . 173 Q CA . 50942 1 613 . 1 . 1 176 176 GLN CB C 13 28.33 0.05 . 1 . . . . . 173 Q CB . 50942 1 614 . 1 . 1 176 176 GLN N N 15 118.19 0.05 . 1 . . . . . 173 Q N . 50942 1 615 . 1 . 1 177 177 ARG H H 1 7.068 0.02 . 1 . . . . . 174 R H . 50942 1 616 . 1 . 1 177 177 ARG C C 13 174.806 0.05 . 1 . . . . . 174 R C . 50942 1 617 . 1 . 1 177 177 ARG CA C 13 55.187 0.05 . 1 . . . . . 174 R CA . 50942 1 618 . 1 . 1 177 177 ARG CB C 13 30.198 0.05 . 1 . . . . . 174 R CB . 50942 1 619 . 1 . 1 177 177 ARG N N 15 117.438 0.05 . 1 . . . . . 174 R N . 50942 1 620 . 1 . 1 178 178 GLY H H 1 7.498 0.02 . 1 . . . . . 175 G H . 50942 1 621 . 1 . 1 178 178 GLY C C 13 174.616 0.05 . 1 . . . . . 175 G C . 50942 1 622 . 1 . 1 178 178 GLY CA C 13 44.101 0.05 . 1 . . . . . 175 G CA . 50942 1 623 . 1 . 1 178 178 GLY N N 15 104.834 0.05 . 1 . . . . . 175 G N . 50942 1 624 . 1 . 1 179 179 GLY H H 1 8.153 0.02 . 1 . . . . . 176 G H . 50942 1 625 . 1 . 1 179 179 GLY C C 13 172.67 0.05 . 1 . . . . . 176 G C . 50942 1 626 . 1 . 1 179 179 GLY CA C 13 43.252 0.05 . 1 . . . . . 176 G CA . 50942 1 627 . 1 . 1 179 179 GLY N N 15 108.466 0.05 . 1 . . . . . 176 G N . 50942 1 628 . 1 . 1 180 180 TRP H H 1 8.419 0.02 . 1 . . . . . 177 W H . 50942 1 629 . 1 . 1 180 180 TRP HE1 H 1 9.947 0.02 . 1 . . . . . 177 W HE1 . 50942 1 630 . 1 . 1 180 180 TRP C C 13 178.235 0.05 . 1 . . . . . 177 W C . 50942 1 631 . 1 . 1 180 180 TRP CA C 13 60.991 0.05 . 1 . . . . . 177 W CA . 50942 1 632 . 1 . 1 180 180 TRP CB C 13 31.441 0.05 . 1 . . . . . 177 W CB . 50942 1 633 . 1 . 1 180 180 TRP N N 15 118.921 0.05 . 1 . . . . . 177 W N . 50942 1 634 . 1 . 1 180 180 TRP NE1 N 15 126.992 0.05 . 1 . . . . . 177 W NE1 . 50942 1 635 . 1 . 1 181 181 VAL H H 1 8.335 0.02 . 1 . . . . . 178 V H . 50942 1 636 . 1 . 1 181 181 VAL C C 13 177.285 0.05 . 1 . . . . . 178 V C . 50942 1 637 . 1 . 1 181 181 VAL CA C 13 64.457 0.05 . 1 . . . . . 178 V CA . 50942 1 638 . 1 . 1 181 181 VAL CB C 13 31.493 0.05 . 1 . . . . . 178 V CB . 50942 1 639 . 1 . 1 181 181 VAL N N 15 113.541 0.05 . 1 . . . . . 178 V N . 50942 1 640 . 1 . 1 182 182 ALA H H 1 7.771 0.02 . 1 . . . . . 179 A H . 50942 1 641 . 1 . 1 182 182 ALA C C 13 179.363 0.05 . 1 . . . . . 179 A C . 50942 1 642 . 1 . 1 182 182 ALA CA C 13 53.975 0.05 . 1 . . . . . 179 A CA . 50942 1 643 . 1 . 1 182 182 ALA CB C 13 18.972 0.05 . 1 . . . . . 179 A CB . 50942 1 644 . 1 . 1 182 182 ALA N N 15 125.67 0.05 . 1 . . . . . 179 A N . 50942 1 645 . 1 . 1 183 183 ALA H H 1 8.058 0.02 . 1 . . . . . 180 A H . 50942 1 646 . 1 . 1 183 183 ALA C C 13 177.835 0.05 . 1 . . . . . 180 A C . 50942 1 647 . 1 . 1 183 183 ALA CA C 13 52.682 0.05 . 1 . . . . . 180 A CA . 50942 1 648 . 1 . 1 183 183 ALA CB C 13 18.57 0.05 . 1 . . . . . 180 A CB . 50942 1 649 . 1 . 1 183 183 ALA N N 15 120.135 0.05 . 1 . . . . . 180 A N . 50942 1 650 . 1 . 1 184 184 LEU H H 1 7.372 0.02 . 1 . . . . . 181 L H . 50942 1 651 . 1 . 1 184 184 LEU C C 13 176.938 0.05 . 1 . . . . . 181 L C . 50942 1 652 . 1 . 1 184 184 LEU CA C 13 55.723 0.05 . 1 . . . . . 181 L CA . 50942 1 653 . 1 . 1 184 184 LEU CB C 13 41.235 0.05 . 1 . . . . . 181 L CB . 50942 1 654 . 1 . 1 184 184 LEU N N 15 114.806 0.05 . 1 . . . . . 181 L N . 50942 1 655 . 1 . 1 185 185 ASN H H 1 7.338 0.02 . 1 . . . . . 182 N H . 50942 1 656 . 1 . 1 185 185 ASN C C 13 174.944 0.05 . 1 . . . . . 182 N C . 50942 1 657 . 1 . 1 185 185 ASN CA C 13 52.327 0.05 . 1 . . . . . 182 N CA . 50942 1 658 . 1 . 1 185 185 ASN CB C 13 39.342 0.05 . 1 . . . . . 182 N CB . 50942 1 659 . 1 . 1 185 185 ASN N N 15 115.965 0.05 . 1 . . . . . 182 N N . 50942 1 660 . 1 . 1 186 186 LEU H H 1 7.331 0.02 . 1 . . . . . 183 L H . 50942 1 661 . 1 . 1 186 186 LEU C C 13 177.235 0.05 . 1 . . . . . 183 L C . 50942 1 662 . 1 . 1 186 186 LEU CA C 13 55.26 0.05 . 1 . . . . . 183 L CA . 50942 1 663 . 1 . 1 186 186 LEU CB C 13 42.637 0.05 . 1 . . . . . 183 L CB . 50942 1 664 . 1 . 1 186 186 LEU N N 15 120.829 0.05 . 1 . . . . . 183 L N . 50942 1 665 . 1 . 1 187 187 GLY H H 1 8.274 0.02 . 1 . . . . . 184 G H . 50942 1 666 . 1 . 1 187 187 GLY C C 13 173.711 0.05 . 1 . . . . . 184 G C . 50942 1 667 . 1 . 1 187 187 GLY CA C 13 44.822 0.05 . 1 . . . . . 184 G CA . 50942 1 668 . 1 . 1 187 187 GLY N N 15 108.929 0.05 . 1 . . . . . 184 G N . 50942 1 669 . 1 . 1 188 188 ASN H H 1 8.266 0.02 . 1 . . . . . 185 N H . 50942 1 670 . 1 . 1 188 188 ASN CA C 13 53.228 0.05 . 1 . . . . . 185 N CA . 50942 1 671 . 1 . 1 188 188 ASN CB C 13 38.91 0.05 . 1 . . . . . 185 N CB . 50942 1 672 . 1 . 1 188 188 ASN CG C 13 176.095 0.05 . 1 . . . . . 185 N CG . 50942 1 673 . 1 . 1 188 188 ASN N N 15 119.111 0.05 . 1 . . . . . 185 N N . 50942 1 674 . 1 . 1 189 189 GLY H H 1 8.48 0.02 . 1 . . . . . 186 G H . 50942 1 675 . 1 . 1 189 189 GLY CA C 13 45.416 0.05 . 1 . . . . . 186 G CA . 50942 1 676 . 1 . 1 189 189 GLY N N 15 110.061 0.05 . 1 . . . . . 186 G N . 50942 1 stop_ save_