data_25776 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25776 _Entry.Title ; Solution NMR structure of Outer Membrane Protein G P92A mutant from Pseudomonas aeruginosa ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-08-27 _Entry.Accession_date 2015-08-27 _Entry.Last_release_date 2015-12-28 _Entry.Original_release_date 2015-12-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Iga Kucharska . . . 25776 2 Patrick Seelheim . . . 25776 3 Thomas Edrington . C. . 25776 4 Binyong Liang . . . 25776 5 Lukas Tamm . K. . 25776 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25776 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Membrane Protein' . 25776 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25776 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 488 25776 '15N chemical shifts' 155 25776 '1H chemical shifts' 155 25776 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 . . 2015-12-28 . original BMRB . 25776 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N6P 'BMRB Entry Tracking System' 25776 PDB 2n6l . 25776 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25776 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26655471 _Citation.Full_citation . _Citation.Title ; OprG Harnesses the Dynamics of its Extracellular Loops to Transport Small Amino Acids across the Outer Membrane of Pseudomonas aeruginosa ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 23 _Citation.Journal_issue 12 _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 2234 _Citation.Page_last 2245 _Citation.Year 2015 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Iga Kucharska . . . 25776 1 2 Patrick Seelheim . . . 25776 1 3 Thomas Edrington . C. . 25776 1 4 Binyong Liang . . . 25776 1 5 Lukas Tamm . K. . 25776 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25776 _Assembly.ID 1 _Assembly.Name 'Outer Membrane Protein G P92A mutant' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $entity A . yes native no no . . . 25776 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25776 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MHKAGDFIIRGGFATVDPDD SSSDIKLDGAKQRGTKATVD SDTQLGLTFTYMFADKWGVE LVAATPFNHQVDVKGLGPGL DGKLADIKQLPATLLLQYYP MGGTNSAFQPYGGLGVNYTT FFDEDLASNRKAQGFSSMKL QDSWGLAGELGFDYMLNEHA LFNMAVWYMDIDTKASINGP SALGVNKTKVDVDVDPWVYM IGFGYKFLEHHHHHH ; _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 215 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'proline 92 was mutated to alanine' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 22998.037 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 25776 1 2 2 HIS . 25776 1 3 3 LYS . 25776 1 4 4 ALA . 25776 1 5 5 GLY . 25776 1 6 6 ASP . 25776 1 7 7 PHE . 25776 1 8 8 ILE . 25776 1 9 9 ILE . 25776 1 10 10 ARG . 25776 1 11 11 GLY . 25776 1 12 12 GLY . 25776 1 13 13 PHE . 25776 1 14 14 ALA . 25776 1 15 15 THR . 25776 1 16 16 VAL . 25776 1 17 17 ASP . 25776 1 18 18 PRO . 25776 1 19 19 ASP . 25776 1 20 20 ASP . 25776 1 21 21 SER . 25776 1 22 22 SER . 25776 1 23 23 SER . 25776 1 24 24 ASP . 25776 1 25 25 ILE . 25776 1 26 26 LYS . 25776 1 27 27 LEU . 25776 1 28 28 ASP . 25776 1 29 29 GLY . 25776 1 30 30 ALA . 25776 1 31 31 LYS . 25776 1 32 32 GLN . 25776 1 33 33 ARG . 25776 1 34 34 GLY . 25776 1 35 35 THR . 25776 1 36 36 LYS . 25776 1 37 37 ALA . 25776 1 38 38 THR . 25776 1 39 39 VAL . 25776 1 40 40 ASP . 25776 1 41 41 SER . 25776 1 42 42 ASP . 25776 1 43 43 THR . 25776 1 44 44 GLN . 25776 1 45 45 LEU . 25776 1 46 46 GLY . 25776 1 47 47 LEU . 25776 1 48 48 THR . 25776 1 49 49 PHE . 25776 1 50 50 THR . 25776 1 51 51 TYR . 25776 1 52 52 MET . 25776 1 53 53 PHE . 25776 1 54 54 ALA . 25776 1 55 55 ASP . 25776 1 56 56 LYS . 25776 1 57 57 TRP . 25776 1 58 58 GLY . 25776 1 59 59 VAL . 25776 1 60 60 GLU . 25776 1 61 61 LEU . 25776 1 62 62 VAL . 25776 1 63 63 ALA . 25776 1 64 64 ALA . 25776 1 65 65 THR . 25776 1 66 66 PRO . 25776 1 67 67 PHE . 25776 1 68 68 ASN . 25776 1 69 69 HIS . 25776 1 70 70 GLN . 25776 1 71 71 VAL . 25776 1 72 72 ASP . 25776 1 73 73 VAL . 25776 1 74 74 LYS . 25776 1 75 75 GLY . 25776 1 76 76 LEU . 25776 1 77 77 GLY . 25776 1 78 78 PRO . 25776 1 79 79 GLY . 25776 1 80 80 LEU . 25776 1 81 81 ASP . 25776 1 82 82 GLY . 25776 1 83 83 LYS . 25776 1 84 84 LEU . 25776 1 85 85 ALA . 25776 1 86 86 ASP . 25776 1 87 87 ILE . 25776 1 88 88 LYS . 25776 1 89 89 GLN . 25776 1 90 90 LEU . 25776 1 91 91 PRO . 25776 1 92 92 ALA . 25776 1 93 93 THR . 25776 1 94 94 LEU . 25776 1 95 95 LEU . 25776 1 96 96 LEU . 25776 1 97 97 GLN . 25776 1 98 98 TYR . 25776 1 99 99 TYR . 25776 1 100 100 PRO . 25776 1 101 101 MET . 25776 1 102 102 GLY . 25776 1 103 103 GLY . 25776 1 104 104 THR . 25776 1 105 105 ASN . 25776 1 106 106 SER . 25776 1 107 107 ALA . 25776 1 108 108 PHE . 25776 1 109 109 GLN . 25776 1 110 110 PRO . 25776 1 111 111 TYR . 25776 1 112 112 GLY . 25776 1 113 113 GLY . 25776 1 114 114 LEU . 25776 1 115 115 GLY . 25776 1 116 116 VAL . 25776 1 117 117 ASN . 25776 1 118 118 TYR . 25776 1 119 119 THR . 25776 1 120 120 THR . 25776 1 121 121 PHE . 25776 1 122 122 PHE . 25776 1 123 123 ASP . 25776 1 124 124 GLU . 25776 1 125 125 ASP . 25776 1 126 126 LEU . 25776 1 127 127 ALA . 25776 1 128 128 SER . 25776 1 129 129 ASN . 25776 1 130 130 ARG . 25776 1 131 131 LYS . 25776 1 132 132 ALA . 25776 1 133 133 GLN . 25776 1 134 134 GLY . 25776 1 135 135 PHE . 25776 1 136 136 SER . 25776 1 137 137 SER . 25776 1 138 138 MET . 25776 1 139 139 LYS . 25776 1 140 140 LEU . 25776 1 141 141 GLN . 25776 1 142 142 ASP . 25776 1 143 143 SER . 25776 1 144 144 TRP . 25776 1 145 145 GLY . 25776 1 146 146 LEU . 25776 1 147 147 ALA . 25776 1 148 148 GLY . 25776 1 149 149 GLU . 25776 1 150 150 LEU . 25776 1 151 151 GLY . 25776 1 152 152 PHE . 25776 1 153 153 ASP . 25776 1 154 154 TYR . 25776 1 155 155 MET . 25776 1 156 156 LEU . 25776 1 157 157 ASN . 25776 1 158 158 GLU . 25776 1 159 159 HIS . 25776 1 160 160 ALA . 25776 1 161 161 LEU . 25776 1 162 162 PHE . 25776 1 163 163 ASN . 25776 1 164 164 MET . 25776 1 165 165 ALA . 25776 1 166 166 VAL . 25776 1 167 167 TRP . 25776 1 168 168 TYR . 25776 1 169 169 MET . 25776 1 170 170 ASP . 25776 1 171 171 ILE . 25776 1 172 172 ASP . 25776 1 173 173 THR . 25776 1 174 174 LYS . 25776 1 175 175 ALA . 25776 1 176 176 SER . 25776 1 177 177 ILE . 25776 1 178 178 ASN . 25776 1 179 179 GLY . 25776 1 180 180 PRO . 25776 1 181 181 SER . 25776 1 182 182 ALA . 25776 1 183 183 LEU . 25776 1 184 184 GLY . 25776 1 185 185 VAL . 25776 1 186 186 ASN . 25776 1 187 187 LYS . 25776 1 188 188 THR . 25776 1 189 189 LYS . 25776 1 190 190 VAL . 25776 1 191 191 ASP . 25776 1 192 192 VAL . 25776 1 193 193 ASP . 25776 1 194 194 VAL . 25776 1 195 195 ASP . 25776 1 196 196 PRO . 25776 1 197 197 TRP . 25776 1 198 198 VAL . 25776 1 199 199 TYR . 25776 1 200 200 MET . 25776 1 201 201 ILE . 25776 1 202 202 GLY . 25776 1 203 203 PHE . 25776 1 204 204 GLY . 25776 1 205 205 TYR . 25776 1 206 206 LYS . 25776 1 207 207 PHE . 25776 1 208 208 LEU . 25776 1 209 209 GLU . 25776 1 210 210 HIS . 25776 1 211 211 HIS . 25776 1 212 212 HIS . 25776 1 213 213 HIS . 25776 1 214 214 HIS . 25776 1 215 215 HIS . 25776 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 25776 1 . HIS 2 2 25776 1 . LYS 3 3 25776 1 . ALA 4 4 25776 1 . GLY 5 5 25776 1 . ASP 6 6 25776 1 . PHE 7 7 25776 1 . ILE 8 8 25776 1 . ILE 9 9 25776 1 . ARG 10 10 25776 1 . GLY 11 11 25776 1 . GLY 12 12 25776 1 . PHE 13 13 25776 1 . ALA 14 14 25776 1 . THR 15 15 25776 1 . VAL 16 16 25776 1 . ASP 17 17 25776 1 . PRO 18 18 25776 1 . ASP 19 19 25776 1 . ASP 20 20 25776 1 . SER 21 21 25776 1 . SER 22 22 25776 1 . SER 23 23 25776 1 . ASP 24 24 25776 1 . ILE 25 25 25776 1 . LYS 26 26 25776 1 . LEU 27 27 25776 1 . ASP 28 28 25776 1 . GLY 29 29 25776 1 . ALA 30 30 25776 1 . LYS 31 31 25776 1 . GLN 32 32 25776 1 . ARG 33 33 25776 1 . GLY 34 34 25776 1 . THR 35 35 25776 1 . LYS 36 36 25776 1 . ALA 37 37 25776 1 . THR 38 38 25776 1 . VAL 39 39 25776 1 . ASP 40 40 25776 1 . SER 41 41 25776 1 . ASP 42 42 25776 1 . THR 43 43 25776 1 . GLN 44 44 25776 1 . LEU 45 45 25776 1 . GLY 46 46 25776 1 . LEU 47 47 25776 1 . THR 48 48 25776 1 . PHE 49 49 25776 1 . THR 50 50 25776 1 . TYR 51 51 25776 1 . MET 52 52 25776 1 . PHE 53 53 25776 1 . ALA 54 54 25776 1 . ASP 55 55 25776 1 . LYS 56 56 25776 1 . TRP 57 57 25776 1 . GLY 58 58 25776 1 . VAL 59 59 25776 1 . GLU 60 60 25776 1 . LEU 61 61 25776 1 . VAL 62 62 25776 1 . ALA 63 63 25776 1 . ALA 64 64 25776 1 . THR 65 65 25776 1 . PRO 66 66 25776 1 . PHE 67 67 25776 1 . ASN 68 68 25776 1 . HIS 69 69 25776 1 . GLN 70 70 25776 1 . VAL 71 71 25776 1 . ASP 72 72 25776 1 . VAL 73 73 25776 1 . LYS 74 74 25776 1 . GLY 75 75 25776 1 . LEU 76 76 25776 1 . GLY 77 77 25776 1 . PRO 78 78 25776 1 . GLY 79 79 25776 1 . LEU 80 80 25776 1 . ASP 81 81 25776 1 . GLY 82 82 25776 1 . LYS 83 83 25776 1 . LEU 84 84 25776 1 . ALA 85 85 25776 1 . ASP 86 86 25776 1 . ILE 87 87 25776 1 . LYS 88 88 25776 1 . GLN 89 89 25776 1 . LEU 90 90 25776 1 . PRO 91 91 25776 1 . ALA 92 92 25776 1 . THR 93 93 25776 1 . LEU 94 94 25776 1 . LEU 95 95 25776 1 . LEU 96 96 25776 1 . GLN 97 97 25776 1 . TYR 98 98 25776 1 . TYR 99 99 25776 1 . PRO 100 100 25776 1 . MET 101 101 25776 1 . GLY 102 102 25776 1 . GLY 103 103 25776 1 . THR 104 104 25776 1 . ASN 105 105 25776 1 . SER 106 106 25776 1 . ALA 107 107 25776 1 . PHE 108 108 25776 1 . GLN 109 109 25776 1 . PRO 110 110 25776 1 . TYR 111 111 25776 1 . GLY 112 112 25776 1 . GLY 113 113 25776 1 . LEU 114 114 25776 1 . GLY 115 115 25776 1 . VAL 116 116 25776 1 . ASN 117 117 25776 1 . TYR 118 118 25776 1 . THR 119 119 25776 1 . THR 120 120 25776 1 . PHE 121 121 25776 1 . PHE 122 122 25776 1 . ASP 123 123 25776 1 . GLU 124 124 25776 1 . ASP 125 125 25776 1 . LEU 126 126 25776 1 . ALA 127 127 25776 1 . SER 128 128 25776 1 . ASN 129 129 25776 1 . ARG 130 130 25776 1 . LYS 131 131 25776 1 . ALA 132 132 25776 1 . GLN 133 133 25776 1 . GLY 134 134 25776 1 . PHE 135 135 25776 1 . SER 136 136 25776 1 . SER 137 137 25776 1 . MET 138 138 25776 1 . LYS 139 139 25776 1 . LEU 140 140 25776 1 . GLN 141 141 25776 1 . ASP 142 142 25776 1 . SER 143 143 25776 1 . TRP 144 144 25776 1 . GLY 145 145 25776 1 . LEU 146 146 25776 1 . ALA 147 147 25776 1 . GLY 148 148 25776 1 . GLU 149 149 25776 1 . LEU 150 150 25776 1 . GLY 151 151 25776 1 . PHE 152 152 25776 1 . ASP 153 153 25776 1 . TYR 154 154 25776 1 . MET 155 155 25776 1 . LEU 156 156 25776 1 . ASN 157 157 25776 1 . GLU 158 158 25776 1 . HIS 159 159 25776 1 . ALA 160 160 25776 1 . LEU 161 161 25776 1 . PHE 162 162 25776 1 . ASN 163 163 25776 1 . MET 164 164 25776 1 . ALA 165 165 25776 1 . VAL 166 166 25776 1 . TRP 167 167 25776 1 . TYR 168 168 25776 1 . MET 169 169 25776 1 . ASP 170 170 25776 1 . ILE 171 171 25776 1 . ASP 172 172 25776 1 . THR 173 173 25776 1 . LYS 174 174 25776 1 . ALA 175 175 25776 1 . SER 176 176 25776 1 . ILE 177 177 25776 1 . ASN 178 178 25776 1 . GLY 179 179 25776 1 . PRO 180 180 25776 1 . SER 181 181 25776 1 . ALA 182 182 25776 1 . LEU 183 183 25776 1 . GLY 184 184 25776 1 . VAL 185 185 25776 1 . ASN 186 186 25776 1 . LYS 187 187 25776 1 . THR 188 188 25776 1 . LYS 189 189 25776 1 . VAL 190 190 25776 1 . ASP 191 191 25776 1 . VAL 192 192 25776 1 . ASP 193 193 25776 1 . VAL 194 194 25776 1 . ASP 195 195 25776 1 . PRO 196 196 25776 1 . TRP 197 197 25776 1 . VAL 198 198 25776 1 . TYR 199 199 25776 1 . MET 200 200 25776 1 . ILE 201 201 25776 1 . GLY 202 202 25776 1 . PHE 203 203 25776 1 . GLY 204 204 25776 1 . TYR 205 205 25776 1 . LYS 206 206 25776 1 . PHE 207 207 25776 1 . LEU 208 208 25776 1 . GLU 209 209 25776 1 . HIS 210 210 25776 1 . HIS 211 211 25776 1 . HIS 212 212 25776 1 . HIS 213 213 25776 1 . HIS 214 214 25776 1 . HIS 215 215 25776 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25776 _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 . 287 organism . 'Pseudomonas aeruginosa' g-proteobacteria . . Bacteria . Pseudomonas aeruginosa PAO1 . . . . . . . . . . 879793 'proline 92 was mutated to alanine' 25776 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 25776 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . Pet30a+ . . . 25776 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25776 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-13C; U-15N; U-2H]' . . 1 $entity . . 1 . . mM . . . . 25776 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 25776 1 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25776 1 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 25776 1 5 1,2-dihexanoyl-sn-glycero-3-phosphocholine 'natural abundance' . . . . . . 0.9 . . % . . . . 25776 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25776 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25776 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25776 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 entity '[U-13C; U-15N; U-2H]' . . 1 $entity . . 1 . . mM . . . . 25776 2 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 25776 2 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25776 2 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 25776 2 5 1,2-dihexanoyl-sn-glycero-3-phosphocholine 'natural abundance' . . . . . . 0.9 . . % . . . . 25776 2 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25776 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 25776 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'protein was 15N-Phe labeled.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity 'natural abundance' . . 1 $entity . . 1 . . mM . . . . 25776 3 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 25776 3 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25776 3 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 25776 3 5 1,2-dihexanoyl-sn-glycero-3-phosphocholine 'natural abundance' . . . . . . 0.9 . . % . . . . 25776 3 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25776 3 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25776 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 25776 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'protein was 15N-Ile labeled.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity 'natural abundance' . . 1 $entity . . 1 . . mM . . . . 25776 4 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 25776 4 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25776 4 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 25776 4 5 1,2-dihexanoyl-sn-glycero-3-phosphocholine 'natural abundance' . . . . . . 0.9 . . % . . . . 25776 4 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25776 4 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25776 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 25776 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; protein was 15N-Asp labeled. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity 'natural abundance' . . 1 $entity . . 1 . . mM . . . . 25776 5 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 25776 5 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25776 5 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 25776 5 5 1,2-dihexanoyl-sn-glycero-3-phosphocholine 'natural abundance' . . . . . . 0.9 . . % . . . . 25776 5 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25776 5 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25776 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 25776 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; protein was 15N-Val labeled. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity 'natural abundance' . . 1 $entity . . 1 . . mM . . . . 25776 6 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 25776 6 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25776 6 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 25776 6 5 1,2-dihexanoyl-sn-glycero-3-phosphocholine 'natural abundance' . . . . . . 0.9 . . % . . . . 25776 6 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25776 6 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25776 6 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 25776 _Sample.ID 7 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; protein was 15N-Leu labeled. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity [U-15N]-Leu . . 1 $entity . . 1 . . mM . . . . 25776 7 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 25776 7 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25776 7 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 25776 7 5 1,2-dihexanoyl-sn-glycero-3-phosphocholine 'natural abundance' . . . . . . 0.9 . . % . . . . 25776 7 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25776 7 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25776 7 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 25776 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6 . pH 25776 1 pressure 1 . atm 25776 1 temperature 273 . K 25776 1 stop_ save_ ############################ # Computer software used # ############################ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25776 _Software.ID 1 _Software.Name TALOS _Software.Version Talos+ _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Yang Shen, Frank Delaglio, Gabriel Cornilescu, and Ad Bax' . . 25776 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'rediction of Protein Backbone Torsion Angles from NMR Chemical Shifts' 25776 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25776 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'T. D. Goddard and D. G. Kneller' . . 25776 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'NMR assignments' 25776 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 25776 _Software.ID 3 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, A.T et al' . . 25776 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25776 3 stop_ save_ save_Bruker_TopSpin _Software.Sf_category software _Software.Sf_framecode Bruker_TopSpin _Software.Entry_ID 25776 _Software.ID 4 _Software.Name Bruker_TopSpin _Software.Version 2.1.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 25776 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25776 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25776 _Software.ID 5 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'F. Delaglio, S. Grzesiek, G. W. Vuister, G. Zhu, J. Pfeifer and A. Bax' . . 25776 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25776 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25776 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Bruker Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25776 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Bruker Avance III' . 800 . . . 25776 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 25776 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H 15N TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25776 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25776 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25776 1 4 '3D HNCB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25776 1 5 '3D HNCA(CO)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25776 1 6 '2D 1H 15N TROSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25776 1 7 '2D 1H 15N TROSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25776 1 8 '2D 1H 15N TROSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25776 1 9 '2D 1H 15N TROSY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25776 1 10 '2D 1H 15N TROSY' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25776 1 11 '2D 1H 15N TROSY' no . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25776 1 12 '3D 15N 1H 1H NOESY TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25776 1 13 '4D 15N 1H 15N HSQC NOESY HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25776 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25776 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25776 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25776 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25776 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25776 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H 15N TROSY' . . . 25776 1 2 '3D HNCO' . . . 25776 1 3 '3D HNCA' . . . 25776 1 4 '3D HNCB' . . . 25776 1 5 '3D HNCA(CO)' . . . 25776 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 HIS C C 13 175.393 0.006 . 1 . . . A 2 HIS C . 25776 1 2 . 1 1 2 2 HIS CA C 13 53.804 0.02 . 1 . . . A 2 HIS CA . 25776 1 3 . 1 1 2 2 HIS CB C 13 30.78 0.023 . 1 . . . A 2 HIS CB . 25776 1 4 . 1 1 3 3 LYS H H 1 8.608 0.015 . 1 . . . A 3 LYS H . 25776 1 5 . 1 1 3 3 LYS C C 13 173.475 0.006 . 1 . . . A 3 LYS C . 25776 1 6 . 1 1 3 3 LYS CA C 13 55.027 0.008 . 1 . . . A 3 LYS CA . 25776 1 7 . 1 1 3 3 LYS CB C 13 35.2 0.002 . 1 . . . A 3 LYS CB . 25776 1 8 . 1 1 3 3 LYS N N 15 121.908 0.036 . 1 . . . A 3 LYS N . 25776 1 9 . 1 1 4 4 ALA H H 1 8.581 0.012 . 1 . . . A 4 ALA H . 25776 1 10 . 1 1 4 4 ALA C C 13 178.118 0.011 . 1 . . . A 4 ALA C . 25776 1 11 . 1 1 4 4 ALA CA C 13 53.439 0.003 . 1 . . . A 4 ALA CA . 25776 1 12 . 1 1 4 4 ALA CB C 13 18.049 0.001 . 1 . . . A 4 ALA CB . 25776 1 13 . 1 1 4 4 ALA N N 15 120.771 0.069 . 1 . . . A 4 ALA N . 25776 1 14 . 1 1 5 5 GLY H H 1 9.17 0.019 . 1 . . . A 5 GLY H . 25776 1 15 . 1 1 5 5 GLY C C 13 173.788 0.009 . 1 . . . A 5 GLY C . 25776 1 16 . 1 1 5 5 GLY CA C 13 44.82 0.021 . 1 . . . A 5 GLY CA . 25776 1 17 . 1 1 5 5 GLY N N 15 112.807 0.037 . 1 . . . A 5 GLY N . 25776 1 18 . 1 1 6 6 ASP H H 1 7.619 0.01 . 1 . . . A 6 ASP H . 25776 1 19 . 1 1 6 6 ASP C C 13 174.307 0.037 . 1 . . . A 6 ASP C . 25776 1 20 . 1 1 6 6 ASP CA C 13 55.818 0.02 . 1 . . . A 6 ASP CA . 25776 1 21 . 1 1 6 6 ASP CB C 13 41.575 0.023 . 1 . . . A 6 ASP CB . 25776 1 22 . 1 1 6 6 ASP N N 15 121.504 0.042 . 1 . . . A 6 ASP N . 25776 1 23 . 1 1 7 7 PHE H H 1 8.285 0.014 . 1 . . . A 7 PHE H . 25776 1 24 . 1 1 7 7 PHE C C 13 174.03 0.028 . 1 . . . A 7 PHE C . 25776 1 25 . 1 1 7 7 PHE CA C 13 56.601 0.039 . 1 . . . A 7 PHE CA . 25776 1 26 . 1 1 7 7 PHE CB C 13 43.076 0.004 . 1 . . . A 7 PHE CB . 25776 1 27 . 1 1 7 7 PHE N N 15 121.212 0.04 . 1 . . . A 7 PHE N . 25776 1 28 . 1 1 8 8 ILE H H 1 9.245 0.008 . 1 . . . A 8 ILE H . 25776 1 29 . 1 1 8 8 ILE C C 13 173.961 0.032 . 1 . . . A 8 ILE C . 25776 1 30 . 1 1 8 8 ILE CA C 13 61.723 0.067 . 1 . . . A 8 ILE CA . 25776 1 31 . 1 1 8 8 ILE CB C 13 43.669 0.014 . 1 . . . A 8 ILE CB . 25776 1 32 . 1 1 8 8 ILE N N 15 128.185 0.045 . 1 . . . A 8 ILE N . 25776 1 33 . 1 1 9 9 ILE H H 1 8.628 0.009 . 1 . . . A 9 ILE H . 25776 1 34 . 1 1 9 9 ILE C C 13 173.731 0.011 . 1 . . . A 9 ILE C . 25776 1 35 . 1 1 9 9 ILE CA C 13 60.29 0.004 . 1 . . . A 9 ILE CA . 25776 1 36 . 1 1 9 9 ILE CB C 13 42.091 0.022 . 1 . . . A 9 ILE CB . 25776 1 37 . 1 1 9 9 ILE N N 15 125.624 0.039 . 1 . . . A 9 ILE N . 25776 1 38 . 1 1 10 10 ARG H H 1 9.225 0.029 . 1 . . . A 10 ARG H . 25776 1 39 . 1 1 10 10 ARG C C 13 175.074 0.011 . 1 . . . A 10 ARG C . 25776 1 40 . 1 1 10 10 ARG CA C 13 54.494 0.006 . 1 . . . A 10 ARG CA . 25776 1 41 . 1 1 10 10 ARG CB C 13 32.772 0.006 . 1 . . . A 10 ARG CB . 25776 1 42 . 1 1 10 10 ARG N N 15 125.025 0.063 . 1 . . . A 10 ARG N . 25776 1 43 . 1 1 11 11 GLY H H 1 8.885 0.023 . 1 . . . A 11 GLY H . 25776 1 44 . 1 1 11 11 GLY C C 13 171.959 0.008 . 1 . . . A 11 GLY C . 25776 1 45 . 1 1 11 11 GLY CA C 13 45.207 0.036 . 1 . . . A 11 GLY CA . 25776 1 46 . 1 1 11 11 GLY N N 15 106.141 0.029 . 1 . . . A 11 GLY N . 25776 1 47 . 1 1 12 12 GLY H H 1 8.433 0.01 . 1 . . . A 12 GLY H . 25776 1 48 . 1 1 12 12 GLY C C 13 171.465 0.006 . 1 . . . A 12 GLY C . 25776 1 49 . 1 1 12 12 GLY CA C 13 47.313 0.01 . 1 . . . A 12 GLY CA . 25776 1 50 . 1 1 12 12 GLY N N 15 107.818 0.042 . 1 . . . A 12 GLY N . 25776 1 51 . 1 1 13 13 PHE H H 1 8.606 0.012 . 1 . . . A 13 PHE H . 25776 1 52 . 1 1 13 13 PHE C C 13 174.056 0.017 . 1 . . . A 13 PHE C . 25776 1 53 . 1 1 13 13 PHE CA C 13 57.151 0.02 . 1 . . . A 13 PHE CA . 25776 1 54 . 1 1 13 13 PHE CB C 13 41.625 0.023 . 1 . . . A 13 PHE CB . 25776 1 55 . 1 1 13 13 PHE N N 15 120.233 0.037 . 1 . . . A 13 PHE N . 25776 1 56 . 1 1 18 18 PRO C C 13 176.552 0.017 . 1 . . . A 18 PRO C . 25776 1 57 . 1 1 18 18 PRO CA C 13 64.091 0.02 . 1 . . . A 18 PRO CA . 25776 1 58 . 1 1 18 18 PRO CB C 13 33.649 0.023 . 1 . . . A 18 PRO CB . 25776 1 59 . 1 1 19 19 ASP H H 1 8.372 0.011 . 1 . . . A 19 ASP H . 25776 1 60 . 1 1 19 19 ASP C C 13 176.047 0.002 . 1 . . . A 19 ASP C . 25776 1 61 . 1 1 19 19 ASP CA C 13 55.274 0.02 . 1 . . . A 19 ASP CA . 25776 1 62 . 1 1 19 19 ASP CB C 13 42.043 0.023 . 1 . . . A 19 ASP CB . 25776 1 63 . 1 1 19 19 ASP N N 15 121.094 0.08 . 1 . . . A 19 ASP N . 25776 1 64 . 1 1 20 20 ASP H H 1 8.357 0.008 . 1 . . . A 20 ASP H . 25776 1 65 . 1 1 20 20 ASP C C 13 176.79 0.045 . 1 . . . A 20 ASP C . 25776 1 66 . 1 1 20 20 ASP CA C 13 55.095 0.026 . 1 . . . A 20 ASP CA . 25776 1 67 . 1 1 20 20 ASP CB C 13 41.834 0.004 . 1 . . . A 20 ASP CB . 25776 1 68 . 1 1 20 20 ASP N N 15 123.179 0.073 . 1 . . . A 20 ASP N . 25776 1 69 . 1 1 21 21 SER H H 1 8.398 0.013 . 1 . . . A 21 SER H . 25776 1 70 . 1 1 21 21 SER C C 13 175.218 0.046 . 1 . . . A 21 SER C . 25776 1 71 . 1 1 21 21 SER CA C 13 60.134 0.024 . 1 . . . A 21 SER CA . 25776 1 72 . 1 1 21 21 SER CB C 13 64.701 0.023 . 1 . . . A 21 SER CB . 25776 1 73 . 1 1 21 21 SER N N 15 117.319 0.036 . 1 . . . A 21 SER N . 25776 1 74 . 1 1 22 22 SER H H 1 8.314 0.007 . 1 . . . A 22 SER H . 25776 1 75 . 1 1 22 22 SER C C 13 174.877 0.013 . 1 . . . A 22 SER C . 25776 1 76 . 1 1 22 22 SER CA C 13 59.839 0.008 . 1 . . . A 22 SER CA . 25776 1 77 . 1 1 22 22 SER CB C 13 64.669 0.023 . 1 . . . A 22 SER CB . 25776 1 78 . 1 1 22 22 SER N N 15 117.994 0.037 . 1 . . . A 22 SER N . 25776 1 79 . 1 1 23 23 SER H H 1 8.143 0.004 . 1 . . . A 23 SER H . 25776 1 80 . 1 1 23 23 SER C C 13 174.298 0.024 . 1 . . . A 23 SER C . 25776 1 81 . 1 1 23 23 SER CA C 13 59.629 0.018 . 1 . . . A 23 SER CA . 25776 1 82 . 1 1 23 23 SER CB C 13 64.802 0.021 . 1 . . . A 23 SER CB . 25776 1 83 . 1 1 23 23 SER N N 15 117.809 0.032 . 1 . . . A 23 SER N . 25776 1 84 . 1 1 24 24 ASP H H 1 8.234 0.013 . 1 . . . A 24 ASP H . 25776 1 85 . 1 1 24 24 ASP C C 13 176.25 0.012 . 1 . . . A 24 ASP C . 25776 1 86 . 1 1 24 24 ASP CA C 13 55.493 0.003 . 1 . . . A 24 ASP CA . 25776 1 87 . 1 1 24 24 ASP CB C 13 41.841 0.002 . 1 . . . A 24 ASP CB . 25776 1 88 . 1 1 24 24 ASP N N 15 122.829 0.039 . 1 . . . A 24 ASP N . 25776 1 89 . 1 1 25 25 ILE H H 1 7.884 0.012 . 1 . . . A 25 ILE H . 25776 1 90 . 1 1 25 25 ILE C C 13 176.204 0.005 . 1 . . . A 25 ILE C . 25776 1 91 . 1 1 25 25 ILE CA C 13 62.556 0.001 . 1 . . . A 25 ILE CA . 25776 1 92 . 1 1 25 25 ILE CB C 13 39.668 0.007 . 1 . . . A 25 ILE CB . 25776 1 93 . 1 1 25 25 ILE N N 15 120.717 0.032 . 1 . . . A 25 ILE N . 25776 1 94 . 1 1 26 26 LYS H H 1 8.164 0.011 . 1 . . . A 26 LYS H . 25776 1 95 . 1 1 26 26 LYS C C 13 176.616 0.013 . 1 . . . A 26 LYS C . 25776 1 96 . 1 1 26 26 LYS CA C 13 57.192 0.003 . 1 . . . A 26 LYS CA . 25776 1 97 . 1 1 26 26 LYS CB C 13 33.809 0.005 . 1 . . . A 26 LYS CB . 25776 1 98 . 1 1 26 26 LYS N N 15 124.527 0.045 . 1 . . . A 26 LYS N . 25776 1 99 . 1 1 27 27 LEU H H 1 8.1 0.009 . 1 . . . A 27 LEU H . 25776 1 100 . 1 1 27 27 LEU C C 13 177.077 0.008 . 1 . . . A 27 LEU C . 25776 1 101 . 1 1 27 27 LEU CA C 13 56.173 0.024 . 1 . . . A 27 LEU CA . 25776 1 102 . 1 1 27 27 LEU CB C 13 43.317 0.022 . 1 . . . A 27 LEU CB . 25776 1 103 . 1 1 27 27 LEU N N 15 123.292 0.07 . 1 . . . A 27 LEU N . 25776 1 104 . 1 1 28 28 ASP H H 1 8.209 0.008 . 1 . . . A 28 ASP H . 25776 1 105 . 1 1 28 28 ASP C C 13 176.929 0.009 . 1 . . . A 28 ASP C . 25776 1 106 . 1 1 28 28 ASP CA C 13 55.348 0.007 . 1 . . . A 28 ASP CA . 25776 1 107 . 1 1 28 28 ASP CB C 13 42.075 0.023 . 1 . . . A 28 ASP CB . 25776 1 108 . 1 1 28 28 ASP N N 15 121.059 0.04 . 1 . . . A 28 ASP N . 25776 1 109 . 1 1 29 29 GLY H H 1 8.274 0.008 . 1 . . . A 29 GLY H . 25776 1 110 . 1 1 29 29 GLY C C 13 174.364 0.005 . 1 . . . A 29 GLY C . 25776 1 111 . 1 1 29 29 GLY CA C 13 46.878 0.008 . 1 . . . A 29 GLY CA . 25776 1 112 . 1 1 29 29 GLY N N 15 110.032 0.046 . 1 . . . A 29 GLY N . 25776 1 113 . 1 1 30 30 ALA H H 1 8.085 0.004 . 1 . . . A 30 ALA H . 25776 1 114 . 1 1 30 30 ALA C C 13 178.005 0.008 . 1 . . . A 30 ALA C . 25776 1 115 . 1 1 30 30 ALA CA C 13 53.824 0.003 . 1 . . . A 30 ALA CA . 25776 1 116 . 1 1 30 30 ALA CB C 13 20.127 0.008 . 1 . . . A 30 ALA CB . 25776 1 117 . 1 1 30 30 ALA N N 15 124.102 0.043 . 1 . . . A 30 ALA N . 25776 1 118 . 1 1 31 31 LYS H H 1 8.075 0.006 . 1 . . . A 31 LYS H . 25776 1 119 . 1 1 31 31 LYS C C 13 176.65 0.023 . 1 . . . A 31 LYS C . 25776 1 120 . 1 1 31 31 LYS CA C 13 57.472 0.006 . 1 . . . A 31 LYS CA . 25776 1 121 . 1 1 31 31 LYS CB C 13 33.948 0.008 . 1 . . . A 31 LYS CB . 25776 1 122 . 1 1 31 31 LYS N N 15 119.81 0.042 . 1 . . . A 31 LYS N . 25776 1 123 . 1 1 32 32 GLN H H 1 8.182 0.006 . 1 . . . A 32 GLN H . 25776 1 124 . 1 1 32 32 GLN C C 13 175.862 0.015 . 1 . . . A 32 GLN C . 25776 1 125 . 1 1 32 32 GLN CA C 13 56.939 0.02 . 1 . . . A 32 GLN CA . 25776 1 126 . 1 1 32 32 GLN CB C 13 30.194 0.02 . 1 . . . A 32 GLN CB . 25776 1 127 . 1 1 32 32 GLN N N 15 121.045 0.036 . 1 . . . A 32 GLN N . 25776 1 128 . 1 1 33 33 ARG H H 1 8.288 0.005 . 1 . . . A 33 ARG H . 25776 1 129 . 1 1 33 33 ARG C C 13 176.492 0.017 . 1 . . . A 33 ARG C . 25776 1 130 . 1 1 33 33 ARG CA C 13 57.082 0.02 . 1 . . . A 33 ARG CA . 25776 1 131 . 1 1 33 33 ARG CB C 13 31.952 0.023 . 1 . . . A 33 ARG CB . 25776 1 132 . 1 1 33 33 ARG N N 15 122.683 0.045 . 1 . . . A 33 ARG N . 25776 1 133 . 1 1 36 36 LYS C C 13 176.028 0.003 . 1 . . . A 36 LYS C . 25776 1 134 . 1 1 36 36 LYS CA C 13 57.223 0.02 . 1 . . . A 36 LYS CA . 25776 1 135 . 1 1 36 36 LYS CB C 13 34.262 0.023 . 1 . . . A 36 LYS CB . 25776 1 136 . 1 1 37 37 ALA H H 1 8.329 0.007 . 1 . . . A 37 ALA H . 25776 1 137 . 1 1 37 37 ALA C C 13 177.567 0.009 . 1 . . . A 37 ALA C . 25776 1 138 . 1 1 37 37 ALA CA C 13 53.568 0.016 . 1 . . . A 37 ALA CA . 25776 1 139 . 1 1 37 37 ALA CB C 13 20.408 0.018 . 1 . . . A 37 ALA CB . 25776 1 140 . 1 1 37 37 ALA N N 15 125.793 0.04 . 1 . . . A 37 ALA N . 25776 1 141 . 1 1 38 38 THR H H 1 8.007 0.007 . 1 . . . A 38 THR H . 25776 1 142 . 1 1 38 38 THR C C 13 174.556 0.036 . 1 . . . A 38 THR C . 25776 1 143 . 1 1 38 38 THR CA C 13 62.551 0.02 . 1 . . . A 38 THR CA . 25776 1 144 . 1 1 38 38 THR CB C 13 71.054 0.006 . 1 . . . A 38 THR CB . 25776 1 145 . 1 1 38 38 THR N N 15 113.398 0.056 . 1 . . . A 38 THR N . 25776 1 146 . 1 1 39 39 VAL H H 1 8.043 0.016 . 1 . . . A 39 VAL H . 25776 1 147 . 1 1 39 39 VAL C C 13 175.523 0.033 . 1 . . . A 39 VAL C . 25776 1 148 . 1 1 39 39 VAL CA C 13 63.1 0.026 . 1 . . . A 39 VAL CA . 25776 1 149 . 1 1 39 39 VAL CB C 13 34.044 0.004 . 1 . . . A 39 VAL CB . 25776 1 150 . 1 1 39 39 VAL N N 15 120.865 0.062 . 1 . . . A 39 VAL N . 25776 1 151 . 1 1 40 40 ASP H H 1 8.333 0.006 . 1 . . . A 40 ASP H . 25776 1 152 . 1 1 40 40 ASP C C 13 176.132 0.026 . 1 . . . A 40 ASP C . 25776 1 153 . 1 1 40 40 ASP CA C 13 55.281 0.014 . 1 . . . A 40 ASP CA . 25776 1 154 . 1 1 40 40 ASP CB C 13 42.219 0.059 . 1 . . . A 40 ASP CB . 25776 1 155 . 1 1 40 40 ASP N N 15 124.053 0.066 . 1 . . . A 40 ASP N . 25776 1 156 . 1 1 41 41 SER H H 1 8.142 0.005 . 1 . . . A 41 SER H . 25776 1 157 . 1 1 41 41 SER C C 13 174.147 0.048 . 1 . . . A 41 SER C . 25776 1 158 . 1 1 41 41 SER CA C 13 59.367 0.04 . 1 . . . A 41 SER CA . 25776 1 159 . 1 1 41 41 SER CB C 13 65.027 0.007 . 1 . . . A 41 SER CB . 25776 1 160 . 1 1 41 41 SER N N 15 115.655 0.046 . 1 . . . A 41 SER N . 25776 1 161 . 1 1 42 42 ASP H H 1 8.433 0.006 . 1 . . . A 42 ASP H . 25776 1 162 . 1 1 42 42 ASP C C 13 176.578 0.017 . 1 . . . A 42 ASP C . 25776 1 163 . 1 1 42 42 ASP CA C 13 55.439 0.02 . 1 . . . A 42 ASP CA . 25776 1 164 . 1 1 42 42 ASP CB C 13 42.404 0.023 . 1 . . . A 42 ASP CB . 25776 1 165 . 1 1 42 42 ASP N N 15 123.005 0.056 . 1 . . . A 42 ASP N . 25776 1 166 . 1 1 43 43 THR C C 13 176.244 0.017 . 1 . . . A 43 THR C . 25776 1 167 . 1 1 43 43 THR CA C 13 62.772 0.02 . 1 . . . A 43 THR CA . 25776 1 168 . 1 1 43 43 THR CB C 13 71.018 0.023 . 1 . . . A 43 THR CB . 25776 1 169 . 1 1 44 44 GLN H H 1 8.27 0.012 . 1 . . . A 44 GLN H . 25776 1 170 . 1 1 44 44 GLN C C 13 177.061 0.028 . 1 . . . A 44 GLN C . 25776 1 171 . 1 1 44 44 GLN CA C 13 57.279 0.02 . 1 . . . A 44 GLN CA . 25776 1 172 . 1 1 44 44 GLN CB C 13 33.662 0.023 . 1 . . . A 44 GLN CB . 25776 1 173 . 1 1 44 44 GLN N N 15 123.824 0.048 . 1 . . . A 44 GLN N . 25776 1 174 . 1 1 45 45 LEU H H 1 7.94 0.012 . 1 . . . A 45 LEU H . 25776 1 175 . 1 1 45 45 LEU C C 13 176.419 0.007 . 1 . . . A 45 LEU C . 25776 1 176 . 1 1 45 45 LEU CA C 13 56.118 0.02 . 1 . . . A 45 LEU CA . 25776 1 177 . 1 1 45 45 LEU CB C 13 42.621 0.023 . 1 . . . A 45 LEU CB . 25776 1 178 . 1 1 45 45 LEU N N 15 122.159 0.061 . 1 . . . A 45 LEU N . 25776 1 179 . 1 1 46 46 GLY H H 1 8.566 0.016 . 1 . . . A 46 GLY H . 25776 1 180 . 1 1 46 46 GLY C C 13 171.538 0.015 . 1 . . . A 46 GLY C . 25776 1 181 . 1 1 46 46 GLY CA C 13 44.775 0.02 . 1 . . . A 46 GLY CA . 25776 1 182 . 1 1 46 46 GLY N N 15 107.861 0.042 . 1 . . . A 46 GLY N . 25776 1 183 . 1 1 47 47 LEU H H 1 8.457 0.015 . 1 . . . A 47 LEU H . 25776 1 184 . 1 1 47 47 LEU C C 13 175.422 0.03 . 1 . . . A 47 LEU C . 25776 1 185 . 1 1 47 47 LEU CA C 13 54.331 0.017 . 1 . . . A 47 LEU CA . 25776 1 186 . 1 1 47 47 LEU CB C 13 48.343 0.009 . 1 . . . A 47 LEU CB . 25776 1 187 . 1 1 47 47 LEU N N 15 122.959 0.04 . 1 . . . A 47 LEU N . 25776 1 188 . 1 1 48 48 THR H H 1 8.814 0.018 . 1 . . . A 48 THR H . 25776 1 189 . 1 1 48 48 THR C C 13 172.347 0.011 . 1 . . . A 48 THR C . 25776 1 190 . 1 1 48 48 THR CA C 13 59.573 0.002 . 1 . . . A 48 THR CA . 25776 1 191 . 1 1 48 48 THR CB C 13 72.843 0.009 . 1 . . . A 48 THR CB . 25776 1 192 . 1 1 48 48 THR N N 15 112.144 0.038 . 1 . . . A 48 THR N . 25776 1 193 . 1 1 49 49 PHE H H 1 8.455 0.013 . 1 . . . A 49 PHE H . 25776 1 194 . 1 1 49 49 PHE C C 13 174.623 0.004 . 1 . . . A 49 PHE C . 25776 1 195 . 1 1 49 49 PHE CA C 13 55.737 0.001 . 1 . . . A 49 PHE CA . 25776 1 196 . 1 1 49 49 PHE CB C 13 42.986 0.029 . 1 . . . A 49 PHE CB . 25776 1 197 . 1 1 49 49 PHE N N 15 118.787 0.04 . 1 . . . A 49 PHE N . 25776 1 198 . 1 1 50 50 THR H H 1 9.372 0.017 . 1 . . . A 50 THR H . 25776 1 199 . 1 1 50 50 THR C C 13 173.272 0.02 . 1 . . . A 50 THR C . 25776 1 200 . 1 1 50 50 THR CA C 13 63.315 0.043 . 1 . . . A 50 THR CA . 25776 1 201 . 1 1 50 50 THR CB C 13 74.327 0.003 . 1 . . . A 50 THR CB . 25776 1 202 . 1 1 50 50 THR N N 15 121.279 0.044 . 1 . . . A 50 THR N . 25776 1 203 . 1 1 51 51 TYR H H 1 9.157 0.019 . 1 . . . A 51 TYR H . 25776 1 204 . 1 1 51 51 TYR C C 13 174.837 0.014 . 1 . . . A 51 TYR C . 25776 1 205 . 1 1 51 51 TYR CA C 13 56.86 0.02 . 1 . . . A 51 TYR CA . 25776 1 206 . 1 1 51 51 TYR CB C 13 42.447 0.009 . 1 . . . A 51 TYR CB . 25776 1 207 . 1 1 51 51 TYR N N 15 126.005 0.04 . 1 . . . A 51 TYR N . 25776 1 208 . 1 1 52 52 MET H H 1 7.998 0.014 . 1 . . . A 52 MET H . 25776 1 209 . 1 1 52 52 MET C C 13 174.466 0.007 . 1 . . . A 52 MET C . 25776 1 210 . 1 1 52 52 MET CA C 13 53.171 0.01 . 1 . . . A 52 MET CA . 25776 1 211 . 1 1 52 52 MET CB C 13 29.467 0.011 . 1 . . . A 52 MET CB . 25776 1 212 . 1 1 52 52 MET N N 15 127.601 0.046 . 1 . . . A 52 MET N . 25776 1 213 . 1 1 53 53 PHE H H 1 7.762 0.016 . 1 . . . A 53 PHE H . 25776 1 214 . 1 1 53 53 PHE C C 13 173.685 0.035 . 1 . . . A 53 PHE C . 25776 1 215 . 1 1 53 53 PHE CA C 13 57.614 0.012 . 1 . . . A 53 PHE CA . 25776 1 216 . 1 1 53 53 PHE CB C 13 40.111 0.06 . 1 . . . A 53 PHE CB . 25776 1 217 . 1 1 53 53 PHE N N 15 123.918 0.031 . 1 . . . A 53 PHE N . 25776 1 218 . 1 1 54 54 ALA H H 1 8.396 0.016 . 1 . . . A 54 ALA H . 25776 1 219 . 1 1 54 54 ALA C C 13 174.976 0.005 . 1 . . . A 54 ALA C . 25776 1 220 . 1 1 54 54 ALA CA C 13 51.443 0.02 . 1 . . . A 54 ALA CA . 25776 1 221 . 1 1 54 54 ALA CB C 13 23.534 0.02 . 1 . . . A 54 ALA CB . 25776 1 222 . 1 1 54 54 ALA N N 15 125.892 0.052 . 1 . . . A 54 ALA N . 25776 1 223 . 1 1 55 55 ASP H H 1 8.632 0.017 . 1 . . . A 55 ASP H . 25776 1 224 . 1 1 55 55 ASP C C 13 174.777 0.033 . 1 . . . A 55 ASP C . 25776 1 225 . 1 1 55 55 ASP CA C 13 59.139 0.005 . 1 . . . A 55 ASP CA . 25776 1 226 . 1 1 55 55 ASP CB C 13 40.948 0.004 . 1 . . . A 55 ASP CB . 25776 1 227 . 1 1 55 55 ASP N N 15 118.951 0.057 . 1 . . . A 55 ASP N . 25776 1 228 . 1 1 56 56 LYS H H 1 7.3 0.016 . 1 . . . A 56 LYS H . 25776 1 229 . 1 1 56 56 LYS C C 13 174.93 0.02 . 1 . . . A 56 LYS C . 25776 1 230 . 1 1 56 56 LYS CA C 13 55.87 0.029 . 1 . . . A 56 LYS CA . 25776 1 231 . 1 1 56 56 LYS CB C 13 35.437 0.048 . 1 . . . A 56 LYS CB . 25776 1 232 . 1 1 56 56 LYS N N 15 106.363 0.03 . 1 . . . A 56 LYS N . 25776 1 233 . 1 1 57 57 TRP H H 1 6.612 0.015 . 1 . . . A 57 TRP H . 25776 1 234 . 1 1 57 57 TRP C C 13 173.96 0.006 . 1 . . . A 57 TRP C . 25776 1 235 . 1 1 57 57 TRP CA C 13 55.957 0.016 . 1 . . . A 57 TRP CA . 25776 1 236 . 1 1 57 57 TRP CB C 13 35.176 0.041 . 1 . . . A 57 TRP CB . 25776 1 237 . 1 1 57 57 TRP N N 15 115.784 0.034 . 1 . . . A 57 TRP N . 25776 1 238 . 1 1 58 58 GLY H H 1 9.271 0.015 . 1 . . . A 58 GLY H . 25776 1 239 . 1 1 58 58 GLY C C 13 172.72 0.031 . 1 . . . A 58 GLY C . 25776 1 240 . 1 1 58 58 GLY CA C 13 45.784 0.012 . 1 . . . A 58 GLY CA . 25776 1 241 . 1 1 58 58 GLY N N 15 107.657 0.034 . 1 . . . A 58 GLY N . 25776 1 242 . 1 1 59 59 VAL H H 1 9.08 0.01 . 1 . . . A 59 VAL H . 25776 1 243 . 1 1 59 59 VAL C C 13 172.973 0.012 . 1 . . . A 59 VAL C . 25776 1 244 . 1 1 59 59 VAL CA C 13 60.638 0.002 . 1 . . . A 59 VAL CA . 25776 1 245 . 1 1 59 59 VAL CB C 13 36.036 0.027 . 1 . . . A 59 VAL CB . 25776 1 246 . 1 1 59 59 VAL N N 15 118.434 0.047 . 1 . . . A 59 VAL N . 25776 1 247 . 1 1 60 60 GLU H H 1 9.431 0.012 . 1 . . . A 60 GLU H . 25776 1 248 . 1 1 60 60 GLU C C 13 174.464 0.012 . 1 . . . A 60 GLU C . 25776 1 249 . 1 1 60 60 GLU CA C 13 53.751 0.017 . 1 . . . A 60 GLU CA . 25776 1 250 . 1 1 60 60 GLU CB C 13 36.042 0.044 . 1 . . . A 60 GLU CB . 25776 1 251 . 1 1 60 60 GLU N N 15 127.915 0.033 . 1 . . . A 60 GLU N . 25776 1 252 . 1 1 61 61 LEU H H 1 8.73 0.015 . 1 . . . A 61 LEU H . 25776 1 253 . 1 1 61 61 LEU C C 13 174.746 0.023 . 1 . . . A 61 LEU C . 25776 1 254 . 1 1 61 61 LEU CA C 13 53.991 0.04 . 1 . . . A 61 LEU CA . 25776 1 255 . 1 1 61 61 LEU CB C 13 46.88 0.011 . 1 . . . A 61 LEU CB . 25776 1 256 . 1 1 61 61 LEU N N 15 127.764 0.032 . 1 . . . A 61 LEU N . 25776 1 257 . 1 1 62 62 VAL H H 1 9.068 0.014 . 1 . . . A 62 VAL H . 25776 1 258 . 1 1 62 62 VAL C C 13 174.453 0.037 . 1 . . . A 62 VAL C . 25776 1 259 . 1 1 62 62 VAL CA C 13 62.285 0.003 . 1 . . . A 62 VAL CA . 25776 1 260 . 1 1 62 62 VAL CB C 13 35.086 0.039 . 1 . . . A 62 VAL CB . 25776 1 261 . 1 1 62 62 VAL N N 15 126.465 0.071 . 1 . . . A 62 VAL N . 25776 1 262 . 1 1 63 63 ALA H H 1 9.124 0.018 . 1 . . . A 63 ALA H . 25776 1 263 . 1 1 63 63 ALA C C 13 174.03 0.009 . 1 . . . A 63 ALA C . 25776 1 264 . 1 1 63 63 ALA CA C 13 51.25 0.002 . 1 . . . A 63 ALA CA . 25776 1 265 . 1 1 63 63 ALA CB C 13 23.503 0.003 . 1 . . . A 63 ALA CB . 25776 1 266 . 1 1 63 63 ALA N N 15 130.444 0.047 . 1 . . . A 63 ALA N . 25776 1 267 . 1 1 64 64 ALA H H 1 7.995 0.012 . 1 . . . A 64 ALA H . 25776 1 268 . 1 1 64 64 ALA C C 13 176.843 0.011 . 1 . . . A 64 ALA C . 25776 1 269 . 1 1 64 64 ALA CA C 13 52.17 0.015 . 1 . . . A 64 ALA CA . 25776 1 270 . 1 1 64 64 ALA CB C 13 23.172 0.042 . 1 . . . A 64 ALA CB . 25776 1 271 . 1 1 64 64 ALA N N 15 121.285 0.073 . 1 . . . A 64 ALA N . 25776 1 272 . 1 1 65 65 THR H H 1 8.108 0.011 . 1 . . . A 65 THR H . 25776 1 273 . 1 1 65 65 THR C C 13 176.739 0.017 . 1 . . . A 65 THR C . 25776 1 274 . 1 1 65 65 THR CA C 13 61.66 0.02 . 1 . . . A 65 THR CA . 25776 1 275 . 1 1 65 65 THR CB C 13 68.341 0.023 . 1 . . . A 65 THR CB . 25776 1 276 . 1 1 65 65 THR N N 15 109.734 0.052 . 1 . . . A 65 THR N . 25776 1 277 . 1 1 67 67 PHE H H 1 8.382 0.001 . 1 . . . A 67 PHE H . 25776 1 278 . 1 1 67 67 PHE CA C 13 56.849 0.02 . 1 . . . A 67 PHE CA . 25776 1 279 . 1 1 67 67 PHE N N 15 123.676 0.026 . 1 . . . A 67 PHE N . 25776 1 280 . 1 1 74 74 LYS C C 13 177.704 0.017 . 1 . . . A 74 LYS C . 25776 1 281 . 1 1 74 74 LYS CA C 13 56.028 0.02 . 1 . . . A 74 LYS CA . 25776 1 282 . 1 1 74 74 LYS CB C 13 34.062 0.023 . 1 . . . A 74 LYS CB . 25776 1 283 . 1 1 75 75 GLY H H 1 8.069 0.006 . 1 . . . A 75 GLY H . 25776 1 284 . 1 1 75 75 GLY C C 13 174.405 0.023 . 1 . . . A 75 GLY C . 25776 1 285 . 1 1 75 75 GLY CA C 13 46.712 0.02 . 1 . . . A 75 GLY CA . 25776 1 286 . 1 1 75 75 GLY N N 15 108.841 0.06 . 1 . . . A 75 GLY N . 25776 1 287 . 1 1 76 76 LEU H H 1 7.623 0.011 . 1 . . . A 76 LEU H . 25776 1 288 . 1 1 76 76 LEU C C 13 176.997 0.017 . 1 . . . A 76 LEU C . 25776 1 289 . 1 1 76 76 LEU CA C 13 56.18 0.02 . 1 . . . A 76 LEU CA . 25776 1 290 . 1 1 76 76 LEU CB C 13 45.997 0.023 . 1 . . . A 76 LEU CB . 25776 1 291 . 1 1 76 76 LEU N N 15 120.093 0.041 . 1 . . . A 76 LEU N . 25776 1 292 . 1 1 79 79 GLY C C 13 175.675 0.017 . 1 . . . A 79 GLY C . 25776 1 293 . 1 1 79 79 GLY CA C 13 47.099 0.02 . 1 . . . A 79 GLY CA . 25776 1 294 . 1 1 80 80 LEU H H 1 9.441 0.006 . 1 . . . A 80 LEU H . 25776 1 295 . 1 1 80 80 LEU C C 13 176.062 0.017 . 1 . . . A 80 LEU C . 25776 1 296 . 1 1 80 80 LEU CA C 13 55.404 0.052 . 1 . . . A 80 LEU CA . 25776 1 297 . 1 1 80 80 LEU CB C 13 43.006 0.023 . 1 . . . A 80 LEU CB . 25776 1 298 . 1 1 80 80 LEU N N 15 130.062 0.047 . 1 . . . A 80 LEU N . 25776 1 299 . 1 1 81 81 ASP H H 1 7.854 0.009 . 1 . . . A 81 ASP H . 25776 1 300 . 1 1 81 81 ASP C C 13 178.992 0.017 . 1 . . . A 81 ASP C . 25776 1 301 . 1 1 81 81 ASP CA C 13 55.769 0.02 . 1 . . . A 81 ASP CA . 25776 1 302 . 1 1 81 81 ASP CB C 13 41.947 0.023 . 1 . . . A 81 ASP CB . 25776 1 303 . 1 1 81 81 ASP N N 15 124.816 0.047 . 1 . . . A 81 ASP N . 25776 1 304 . 1 1 91 91 PRO C C 13 175.297 0.017 . 1 . . . A 91 PRO C . 25776 1 305 . 1 1 91 91 PRO CA C 13 61.833 0.02 . 1 . . . A 91 PRO CA . 25776 1 306 . 1 1 91 91 PRO CB C 13 33.531 0.023 . 1 . . . A 91 PRO CB . 25776 1 307 . 1 1 92 92 ALA H H 1 8.829 0.013 . 1 . . . A 92 ALA H . 25776 1 308 . 1 1 92 92 ALA C C 13 175.643 0.018 . 1 . . . A 92 ALA C . 25776 1 309 . 1 1 92 92 ALA CA C 13 52.675 0.006 . 1 . . . A 92 ALA CA . 25776 1 310 . 1 1 92 92 ALA CB C 13 22.725 0.021 . 1 . . . A 92 ALA CB . 25776 1 311 . 1 1 92 92 ALA N N 15 123.521 0.042 . 1 . . . A 92 ALA N . 25776 1 312 . 1 1 93 93 THR H H 1 8.237 0.013 . 1 . . . A 93 THR H . 25776 1 313 . 1 1 93 93 THR C C 13 171.44 0.009 . 1 . . . A 93 THR C . 25776 1 314 . 1 1 93 93 THR CA C 13 62.066 0.02 . 1 . . . A 93 THR CA . 25776 1 315 . 1 1 93 93 THR CB C 13 72.352 0.001 . 1 . . . A 93 THR CB . 25776 1 316 . 1 1 93 93 THR N N 15 117.599 0.047 . 1 . . . A 93 THR N . 25776 1 317 . 1 1 94 94 LEU H H 1 8.732 0.011 . 1 . . . A 94 LEU H . 25776 1 318 . 1 1 94 94 LEU C C 13 174.995 0.002 . 1 . . . A 94 LEU C . 25776 1 319 . 1 1 94 94 LEU CA C 13 54.194 0.021 . 1 . . . A 94 LEU CA . 25776 1 320 . 1 1 94 94 LEU CB C 13 47.165 0.018 . 1 . . . A 94 LEU CB . 25776 1 321 . 1 1 94 94 LEU N N 15 129.53 0.035 . 1 . . . A 94 LEU N . 25776 1 322 . 1 1 95 95 LEU H H 1 9.485 0.019 . 1 . . . A 95 LEU H . 25776 1 323 . 1 1 95 95 LEU C C 13 175.27 0.025 . 1 . . . A 95 LEU C . 25776 1 324 . 1 1 95 95 LEU CA C 13 55.533 0.02 . 1 . . . A 95 LEU CA . 25776 1 325 . 1 1 95 95 LEU CB C 13 46.672 0.074 . 1 . . . A 95 LEU CB . 25776 1 326 . 1 1 95 95 LEU N N 15 124.181 0.031 . 1 . . . A 95 LEU N . 25776 1 327 . 1 1 96 96 LEU H H 1 8.836 0.013 . 1 . . . A 96 LEU H . 25776 1 328 . 1 1 96 96 LEU C C 13 174.997 0.04 . 1 . . . A 96 LEU C . 25776 1 329 . 1 1 96 96 LEU CA C 13 55.313 0.02 . 1 . . . A 96 LEU CA . 25776 1 330 . 1 1 96 96 LEU CB C 13 45.148 0.017 . 1 . . . A 96 LEU CB . 25776 1 331 . 1 1 96 96 LEU N N 15 123.444 0.043 . 1 . . . A 96 LEU N . 25776 1 332 . 1 1 97 97 GLN H H 1 9.566 0.016 . 1 . . . A 97 GLN H . 25776 1 333 . 1 1 97 97 GLN C C 13 174.324 0.01 . 1 . . . A 97 GLN C . 25776 1 334 . 1 1 97 97 GLN CA C 13 55.388 0.003 . 1 . . . A 97 GLN CA . 25776 1 335 . 1 1 97 97 GLN CB C 13 37.524 0.001 . 1 . . . A 97 GLN CB . 25776 1 336 . 1 1 97 97 GLN N N 15 121.545 0.039 . 1 . . . A 97 GLN N . 25776 1 337 . 1 1 98 98 TYR H H 1 9.053 0.014 . 1 . . . A 98 TYR H . 25776 1 338 . 1 1 98 98 TYR C C 13 173.409 0.011 . 1 . . . A 98 TYR C . 25776 1 339 . 1 1 98 98 TYR CA C 13 55.655 0.012 . 1 . . . A 98 TYR CA . 25776 1 340 . 1 1 98 98 TYR CB C 13 43.208 0.011 . 1 . . . A 98 TYR CB . 25776 1 341 . 1 1 98 98 TYR N N 15 122.246 0.041 . 1 . . . A 98 TYR N . 25776 1 342 . 1 1 99 99 TYR H H 1 8.344 0.012 . 1 . . . A 99 TYR H . 25776 1 343 . 1 1 99 99 TYR C C 13 175.31 0.017 . 1 . . . A 99 TYR C . 25776 1 344 . 1 1 99 99 TYR CA C 13 54.756 0.02 . 1 . . . A 99 TYR CA . 25776 1 345 . 1 1 99 99 TYR CB C 13 39.635 0.023 . 1 . . . A 99 TYR CB . 25776 1 346 . 1 1 99 99 TYR N N 15 126.872 0.035 . 1 . . . A 99 TYR N . 25776 1 347 . 1 1 100 100 PRO C C 13 178.304 0.017 . 1 . . . A 100 PRO C . 25776 1 348 . 1 1 100 100 PRO CA C 13 65.41 0.02 . 1 . . . A 100 PRO CA . 25776 1 349 . 1 1 100 100 PRO CB C 13 33.107 0.023 . 1 . . . A 100 PRO CB . 25776 1 350 . 1 1 101 101 MET H H 1 9.432 0.007 . 1 . . . A 101 MET H . 25776 1 351 . 1 1 101 101 MET C C 13 178.218 0.007 . 1 . . . A 101 MET C . 25776 1 352 . 1 1 101 101 MET CA C 13 54.147 0.002 . 1 . . . A 101 MET CA . 25776 1 353 . 1 1 101 101 MET CB C 13 30.956 0.028 . 1 . . . A 101 MET CB . 25776 1 354 . 1 1 101 101 MET N N 15 114.703 0.037 . 1 . . . A 101 MET N . 25776 1 355 . 1 1 102 102 GLY H H 1 8.671 0.015 . 1 . . . A 102 GLY H . 25776 1 356 . 1 1 102 102 GLY C C 13 175.611 0.012 . 1 . . . A 102 GLY C . 25776 1 357 . 1 1 102 102 GLY CA C 13 47.452 0.013 . 1 . . . A 102 GLY CA . 25776 1 358 . 1 1 102 102 GLY N N 15 117.671 0.04 . 1 . . . A 102 GLY N . 25776 1 359 . 1 1 103 103 GLY H H 1 9.436 0.015 . 1 . . . A 103 GLY H . 25776 1 360 . 1 1 103 103 GLY C C 13 174.054 0.017 . 1 . . . A 103 GLY C . 25776 1 361 . 1 1 103 103 GLY CA C 13 46.82 0.045 . 1 . . . A 103 GLY CA . 25776 1 362 . 1 1 103 103 GLY N N 15 111.298 0.039 . 1 . . . A 103 GLY N . 25776 1 363 . 1 1 104 104 THR H H 1 7.321 0.01 . 1 . . . A 104 THR H . 25776 1 364 . 1 1 104 104 THR C C 13 174.248 0.017 . 1 . . . A 104 THR C . 25776 1 365 . 1 1 104 104 THR CA C 13 61.454 0.02 . 1 . . . A 104 THR CA . 25776 1 366 . 1 1 104 104 THR CB C 13 72.711 0.023 . 1 . . . A 104 THR CB . 25776 1 367 . 1 1 104 104 THR N N 15 109.33 0.058 . 1 . . . A 104 THR N . 25776 1 368 . 1 1 105 105 ASN C C 13 175.032 0.017 . 1 . . . A 105 ASN C . 25776 1 369 . 1 1 105 105 ASN CA C 13 53.413 0.02 . 1 . . . A 105 ASN CA . 25776 1 370 . 1 1 105 105 ASN CB C 13 38.843 0.023 . 1 . . . A 105 ASN CB . 25776 1 371 . 1 1 106 106 SER H H 1 7.487 0.007 . 1 . . . A 106 SER H . 25776 1 372 . 1 1 106 106 SER C C 13 175.961 0.052 . 1 . . . A 106 SER C . 25776 1 373 . 1 1 106 106 SER CA C 13 59.289 0.02 . 1 . . . A 106 SER CA . 25776 1 374 . 1 1 106 106 SER CB C 13 65.208 0.023 . 1 . . . A 106 SER CB . 25776 1 375 . 1 1 106 106 SER N N 15 113.116 0.048 . 1 . . . A 106 SER N . 25776 1 376 . 1 1 107 107 ALA H H 1 8.891 0.011 . 1 . . . A 107 ALA H . 25776 1 377 . 1 1 107 107 ALA C C 13 176.554 0.003 . 1 . . . A 107 ALA C . 25776 1 378 . 1 1 107 107 ALA CA C 13 54.999 0.021 . 1 . . . A 107 ALA CA . 25776 1 379 . 1 1 107 107 ALA CB C 13 19.53 0.02 . 1 . . . A 107 ALA CB . 25776 1 380 . 1 1 107 107 ALA N N 15 132.317 0.038 . 1 . . . A 107 ALA N . 25776 1 381 . 1 1 108 108 PHE H H 1 7.592 0.016 . 1 . . . A 108 PHE H . 25776 1 382 . 1 1 108 108 PHE C C 13 174.254 0.008 . 1 . . . A 108 PHE C . 25776 1 383 . 1 1 108 108 PHE CA C 13 56.664 0.006 . 1 . . . A 108 PHE CA . 25776 1 384 . 1 1 108 108 PHE CB C 13 41.235 0.019 . 1 . . . A 108 PHE CB . 25776 1 385 . 1 1 108 108 PHE N N 15 116.265 0.064 . 1 . . . A 108 PHE N . 25776 1 386 . 1 1 109 109 GLN H H 1 9.095 0.013 . 1 . . . A 109 GLN H . 25776 1 387 . 1 1 109 109 GLN C C 13 172.298 0.017 . 1 . . . A 109 GLN C . 25776 1 388 . 1 1 109 109 GLN CA C 13 52.937 0.02 . 1 . . . A 109 GLN CA . 25776 1 389 . 1 1 109 109 GLN CB C 13 29.98 0.023 . 1 . . . A 109 GLN CB . 25776 1 390 . 1 1 109 109 GLN N N 15 128.401 0.03 . 1 . . . A 109 GLN N . 25776 1 391 . 1 1 110 110 PRO C C 13 175.005 0.001 . 1 . . . A 110 PRO C . 25776 1 392 . 1 1 110 110 PRO CA C 13 62.224 0.02 . 1 . . . A 110 PRO CA . 25776 1 393 . 1 1 110 110 PRO CB C 13 34.129 0.023 . 1 . . . A 110 PRO CB . 25776 1 394 . 1 1 111 111 TYR H H 1 8.51 0.017 . 1 . . . A 111 TYR H . 25776 1 395 . 1 1 111 111 TYR C C 13 173.783 0.002 . 1 . . . A 111 TYR C . 25776 1 396 . 1 1 111 111 TYR CA C 13 57.072 0.004 . 1 . . . A 111 TYR CA . 25776 1 397 . 1 1 111 111 TYR CB C 13 39.435 0.019 . 1 . . . A 111 TYR CB . 25776 1 398 . 1 1 111 111 TYR N N 15 115.731 0.04 . 1 . . . A 111 TYR N . 25776 1 399 . 1 1 112 112 GLY H H 1 8.149 0.012 . 1 . . . A 112 GLY H . 25776 1 400 . 1 1 112 112 GLY C C 13 172.014 0.007 . 1 . . . A 112 GLY C . 25776 1 401 . 1 1 112 112 GLY CA C 13 44.644 0.014 . 1 . . . A 112 GLY CA . 25776 1 402 . 1 1 112 112 GLY N N 15 103.737 0.038 . 1 . . . A 112 GLY N . 25776 1 403 . 1 1 113 113 GLY H H 1 9.028 0.019 . 1 . . . A 113 GLY H . 25776 1 404 . 1 1 113 113 GLY C C 13 171.486 0.004 . 1 . . . A 113 GLY C . 25776 1 405 . 1 1 113 113 GLY CA C 13 46.84 0.018 . 1 . . . A 113 GLY CA . 25776 1 406 . 1 1 113 113 GLY N N 15 108.372 0.042 . 1 . . . A 113 GLY N . 25776 1 407 . 1 1 114 114 LEU H H 1 8.741 0.018 . 1 . . . A 114 LEU H . 25776 1 408 . 1 1 114 114 LEU C C 13 175.878 0.01 . 1 . . . A 114 LEU C . 25776 1 409 . 1 1 114 114 LEU CA C 13 54.611 0.003 . 1 . . . A 114 LEU CA . 25776 1 410 . 1 1 114 114 LEU CB C 13 48.977 0.023 . 1 . . . A 114 LEU CB . 25776 1 411 . 1 1 114 114 LEU N N 15 120.469 0.034 . 1 . . . A 114 LEU N . 25776 1 412 . 1 1 115 115 GLY H H 1 8.952 0.013 . 1 . . . A 115 GLY H . 25776 1 413 . 1 1 115 115 GLY C C 13 171.336 0.014 . 1 . . . A 115 GLY C . 25776 1 414 . 1 1 115 115 GLY CA C 13 47.855 0.038 . 1 . . . A 115 GLY CA . 25776 1 415 . 1 1 115 115 GLY N N 15 111.145 0.032 . 1 . . . A 115 GLY N . 25776 1 416 . 1 1 116 116 VAL H H 1 8.844 0.015 . 1 . . . A 116 VAL H . 25776 1 417 . 1 1 116 116 VAL C C 13 172.617 0.003 . 1 . . . A 116 VAL C . 25776 1 418 . 1 1 116 116 VAL CA C 13 60.716 0.015 . 1 . . . A 116 VAL CA . 25776 1 419 . 1 1 116 116 VAL CB C 13 37.372 0.008 . 1 . . . A 116 VAL CB . 25776 1 420 . 1 1 116 116 VAL N N 15 118.641 0.047 . 1 . . . A 116 VAL N . 25776 1 421 . 1 1 117 117 ASN H H 1 9.647 0.011 . 1 . . . A 117 ASN H . 25776 1 422 . 1 1 117 117 ASN C C 13 171.105 0.017 . 1 . . . A 117 ASN C . 25776 1 423 . 1 1 117 117 ASN CA C 13 52.942 0.003 . 1 . . . A 117 ASN CA . 25776 1 424 . 1 1 117 117 ASN CB C 13 44.578 0.039 . 1 . . . A 117 ASN CB . 25776 1 425 . 1 1 117 117 ASN N N 15 123.839 0.04 . 1 . . . A 117 ASN N . 25776 1 426 . 1 1 118 118 TYR H H 1 8.989 0.016 . 1 . . . A 118 TYR H . 25776 1 427 . 1 1 118 118 TYR C C 13 174.349 0.012 . 1 . . . A 118 TYR C . 25776 1 428 . 1 1 118 118 TYR CA C 13 56.557 0.027 . 1 . . . A 118 TYR CA . 25776 1 429 . 1 1 118 118 TYR CB C 13 42.564 0.06 . 1 . . . A 118 TYR CB . 25776 1 430 . 1 1 118 118 TYR N N 15 125.16 0.034 . 1 . . . A 118 TYR N . 25776 1 431 . 1 1 119 119 THR H H 1 8.806 0.017 . 1 . . . A 119 THR H . 25776 1 432 . 1 1 119 119 THR C C 13 171.231 0.017 . 1 . . . A 119 THR C . 25776 1 433 . 1 1 119 119 THR CA C 13 62.951 0.005 . 1 . . . A 119 THR CA . 25776 1 434 . 1 1 119 119 THR CB C 13 72.427 0.023 . 1 . . . A 119 THR CB . 25776 1 435 . 1 1 119 119 THR N N 15 124.319 0.071 . 1 . . . A 119 THR N . 25776 1 436 . 1 1 120 120 THR H H 1 7.559 0.009 . 1 . . . A 120 THR H . 25776 1 437 . 1 1 120 120 THR C C 13 171.174 0.017 . 1 . . . A 120 THR C . 25776 1 438 . 1 1 120 120 THR CA C 13 59.197 0.02 . 1 . . . A 120 THR CA . 25776 1 439 . 1 1 120 120 THR CB C 13 72.088 0.023 . 1 . . . A 120 THR CB . 25776 1 440 . 1 1 120 120 THR N N 15 119.978 0.036 . 1 . . . A 120 THR N . 25776 1 441 . 1 1 121 121 PHE C C 13 175.289 0.017 . 1 . . . A 121 PHE C . 25776 1 442 . 1 1 121 121 PHE CB C 13 44.369 0.023 . 1 . . . A 121 PHE CB . 25776 1 443 . 1 1 122 122 PHE H H 1 8.541 0.011 . 1 . . . A 122 PHE H . 25776 1 444 . 1 1 122 122 PHE C C 13 172.555 0.007 . 1 . . . A 122 PHE C . 25776 1 445 . 1 1 122 122 PHE CA C 13 56.884 0.061 . 1 . . . A 122 PHE CA . 25776 1 446 . 1 1 122 122 PHE CB C 13 40.231 0.023 . 1 . . . A 122 PHE CB . 25776 1 447 . 1 1 122 122 PHE N N 15 117.578 0.045 . 1 . . . A 122 PHE N . 25776 1 448 . 1 1 123 123 ASP H H 1 8.94 0.009 . 1 . . . A 123 ASP H . 25776 1 449 . 1 1 123 123 ASP C C 13 175.24 0.017 . 1 . . . A 123 ASP C . 25776 1 450 . 1 1 123 123 ASP CA C 13 55.834 0.02 . 1 . . . A 123 ASP CA . 25776 1 451 . 1 1 123 123 ASP CB C 13 39.844 0.023 . 1 . . . A 123 ASP CB . 25776 1 452 . 1 1 123 123 ASP N N 15 116.448 0.048 . 1 . . . A 123 ASP N . 25776 1 453 . 1 1 124 124 GLU C C 13 177.545 0.017 . 1 . . . A 124 GLU C . 25776 1 454 . 1 1 124 124 GLU CA C 13 59.89 0.02 . 1 . . . A 124 GLU CA . 25776 1 455 . 1 1 124 124 GLU CB C 13 29.458 0.023 . 1 . . . A 124 GLU CB . 25776 1 456 . 1 1 125 125 ASP H H 1 9.1 0.008 . 1 . . . A 125 ASP H . 25776 1 457 . 1 1 125 125 ASP C C 13 176.191 0.039 . 1 . . . A 125 ASP C . 25776 1 458 . 1 1 125 125 ASP CA C 13 54.011 0.004 . 1 . . . A 125 ASP CA . 25776 1 459 . 1 1 125 125 ASP CB C 13 43.549 0.004 . 1 . . . A 125 ASP CB . 25776 1 460 . 1 1 125 125 ASP N N 15 126.424 0.07 . 1 . . . A 125 ASP N . 25776 1 461 . 1 1 126 126 LEU H H 1 8.57 0.022 . 1 . . . A 126 LEU H . 25776 1 462 . 1 1 126 126 LEU C C 13 175.808 0.04 . 1 . . . A 126 LEU C . 25776 1 463 . 1 1 126 126 LEU CA C 13 56.268 0.017 . 1 . . . A 126 LEU CA . 25776 1 464 . 1 1 126 126 LEU CB C 13 44.856 0.042 . 1 . . . A 126 LEU CB . 25776 1 465 . 1 1 126 126 LEU N N 15 127.99 0.071 . 1 . . . A 126 LEU N . 25776 1 466 . 1 1 127 127 ALA H H 1 7.885 0.005 . 1 . . . A 127 ALA H . 25776 1 467 . 1 1 127 127 ALA C C 13 179.833 0.017 . 1 . . . A 127 ALA C . 25776 1 468 . 1 1 127 127 ALA CA C 13 52.721 0.02 . 1 . . . A 127 ALA CA . 25776 1 469 . 1 1 127 127 ALA CB C 13 20.059 0.023 . 1 . . . A 127 ALA CB . 25776 1 470 . 1 1 127 127 ALA N N 15 124.126 0.066 . 1 . . . A 127 ALA N . 25776 1 471 . 1 1 129 129 ASN C C 13 176.927 0.017 . 1 . . . A 129 ASN C . 25776 1 472 . 1 1 129 129 ASN CB C 13 37.473 0.023 . 1 . . . A 129 ASN CB . 25776 1 473 . 1 1 130 130 ARG H H 1 7.435 0.008 . 1 . . . A 130 ARG H . 25776 1 474 . 1 1 130 130 ARG C C 13 179.43 0.022 . 1 . . . A 130 ARG C . 25776 1 475 . 1 1 130 130 ARG CA C 13 56.843 0.037 . 1 . . . A 130 ARG CA . 25776 1 476 . 1 1 130 130 ARG CB C 13 30.326 0.022 . 1 . . . A 130 ARG CB . 25776 1 477 . 1 1 130 130 ARG N N 15 117.748 0.067 . 1 . . . A 130 ARG N . 25776 1 478 . 1 1 131 131 LYS H H 1 7.945 0.01 . 1 . . . A 131 LYS H . 25776 1 479 . 1 1 131 131 LYS C C 13 180.937 0.005 . 1 . . . A 131 LYS C . 25776 1 480 . 1 1 131 131 LYS CA C 13 60.461 0.017 . 1 . . . A 131 LYS CA . 25776 1 481 . 1 1 131 131 LYS CB C 13 32.911 0.055 . 1 . . . A 131 LYS CB . 25776 1 482 . 1 1 131 131 LYS N N 15 122.261 0.067 . 1 . . . A 131 LYS N . 25776 1 483 . 1 1 132 132 ALA H H 1 7.77 0.021 . 1 . . . A 132 ALA H . 25776 1 484 . 1 1 132 132 ALA C C 13 178.748 0.031 . 1 . . . A 132 ALA C . 25776 1 485 . 1 1 132 132 ALA CA C 13 55.369 0.005 . 1 . . . A 132 ALA CA . 25776 1 486 . 1 1 132 132 ALA CB C 13 19.129 0.052 . 1 . . . A 132 ALA CB . 25776 1 487 . 1 1 132 132 ALA N N 15 122.083 0.037 . 1 . . . A 132 ALA N . 25776 1 488 . 1 1 133 133 GLN H H 1 7.302 0.009 . 1 . . . A 133 GLN H . 25776 1 489 . 1 1 133 133 GLN C C 13 175.525 0.025 . 1 . . . A 133 GLN C . 25776 1 490 . 1 1 133 133 GLN CA C 13 57.098 0.052 . 1 . . . A 133 GLN CA . 25776 1 491 . 1 1 133 133 GLN CB C 13 30.355 0.039 . 1 . . . A 133 GLN CB . 25776 1 492 . 1 1 133 133 GLN N N 15 116.102 0.044 . 1 . . . A 133 GLN N . 25776 1 493 . 1 1 134 134 GLY H H 1 7.596 0.004 . 1 . . . A 134 GLY H . 25776 1 494 . 1 1 134 134 GLY C C 13 174.46 0.003 . 1 . . . A 134 GLY C . 25776 1 495 . 1 1 134 134 GLY CA C 13 45.882 0.029 . 1 . . . A 134 GLY CA . 25776 1 496 . 1 1 134 134 GLY N N 15 104.444 0.067 . 1 . . . A 134 GLY N . 25776 1 497 . 1 1 135 135 PHE H H 1 7.737 0.009 . 1 . . . A 135 PHE H . 25776 1 498 . 1 1 135 135 PHE C C 13 174.922 0.012 . 1 . . . A 135 PHE C . 25776 1 499 . 1 1 135 135 PHE CA C 13 58.894 0.026 . 1 . . . A 135 PHE CA . 25776 1 500 . 1 1 135 135 PHE CB C 13 40.291 0.046 . 1 . . . A 135 PHE CB . 25776 1 501 . 1 1 135 135 PHE N N 15 119.775 0.044 . 1 . . . A 135 PHE N . 25776 1 502 . 1 1 136 136 SER H H 1 8.862 0.013 . 1 . . . A 136 SER H . 25776 1 503 . 1 1 136 136 SER C C 13 174.415 0.027 . 1 . . . A 136 SER C . 25776 1 504 . 1 1 136 136 SER CA C 13 59.679 0.016 . 1 . . . A 136 SER CA . 25776 1 505 . 1 1 136 136 SER CB C 13 66.246 0.003 . 1 . . . A 136 SER CB . 25776 1 506 . 1 1 136 136 SER N N 15 115.673 0.053 . 1 . . . A 136 SER N . 25776 1 507 . 1 1 137 137 SER H H 1 7.912 0.01 . 1 . . . A 137 SER H . 25776 1 508 . 1 1 137 137 SER C C 13 172.164 0.047 . 1 . . . A 137 SER C . 25776 1 509 . 1 1 137 137 SER CA C 13 58.955 0.001 . 1 . . . A 137 SER CA . 25776 1 510 . 1 1 137 137 SER CB C 13 65.592 0.031 . 1 . . . A 137 SER CB . 25776 1 511 . 1 1 137 137 SER N N 15 114.341 0.041 . 1 . . . A 137 SER N . 25776 1 512 . 1 1 138 138 MET H H 1 8.461 0.006 . 1 . . . A 138 MET H . 25776 1 513 . 1 1 138 138 MET C C 13 173.189 0.017 . 1 . . . A 138 MET C . 25776 1 514 . 1 1 138 138 MET CA C 13 55.879 0.02 . 1 . . . A 138 MET CA . 25776 1 515 . 1 1 138 138 MET CB C 13 36.962 0.023 . 1 . . . A 138 MET CB . 25776 1 516 . 1 1 138 138 MET N N 15 120.555 0.063 . 1 . . . A 138 MET N . 25776 1 517 . 1 1 141 141 GLN C C 13 176.182 0.009 . 1 . . . A 141 GLN C . 25776 1 518 . 1 1 141 141 GLN CB C 13 31.435 0.023 . 1 . . . A 141 GLN CB . 25776 1 519 . 1 1 142 142 ASP H H 1 8.728 0.008 . 1 . . . A 142 ASP H . 25776 1 520 . 1 1 142 142 ASP C C 13 175.702 0.004 . 1 . . . A 142 ASP C . 25776 1 521 . 1 1 142 142 ASP CA C 13 56.307 0.031 . 1 . . . A 142 ASP CA . 25776 1 522 . 1 1 142 142 ASP CB C 13 41.738 0.017 . 1 . . . A 142 ASP CB . 25776 1 523 . 1 1 142 142 ASP N N 15 124.414 0.04 . 1 . . . A 142 ASP N . 25776 1 524 . 1 1 143 143 SER H H 1 8.703 0.011 . 1 . . . A 143 SER H . 25776 1 525 . 1 1 143 143 SER C C 13 172.289 0.034 . 1 . . . A 143 SER C . 25776 1 526 . 1 1 143 143 SER CA C 13 57.652 0.027 . 1 . . . A 143 SER CA . 25776 1 527 . 1 1 143 143 SER CB C 13 66.215 0.021 . 1 . . . A 143 SER CB . 25776 1 528 . 1 1 143 143 SER N N 15 114.92 0.047 . 1 . . . A 143 SER N . 25776 1 529 . 1 1 144 144 TRP H H 1 8.101 0.008 . 1 . . . A 144 TRP H . 25776 1 530 . 1 1 144 144 TRP C C 13 177.307 0.008 . 1 . . . A 144 TRP C . 25776 1 531 . 1 1 144 144 TRP CA C 13 56.875 0.017 . 1 . . . A 144 TRP CA . 25776 1 532 . 1 1 144 144 TRP CB C 13 33.364 0.016 . 1 . . . A 144 TRP CB . 25776 1 533 . 1 1 144 144 TRP N N 15 126.444 0.034 . 1 . . . A 144 TRP N . 25776 1 534 . 1 1 145 145 GLY H H 1 8.889 0.017 . 1 . . . A 145 GLY H . 25776 1 535 . 1 1 145 145 GLY C C 13 171.985 0.012 . 1 . . . A 145 GLY C . 25776 1 536 . 1 1 145 145 GLY CA C 13 46.548 0.02 . 1 . . . A 145 GLY CA . 25776 1 537 . 1 1 145 145 GLY N N 15 108.757 0.04 . 1 . . . A 145 GLY N . 25776 1 538 . 1 1 146 146 LEU H H 1 9.035 0.013 . 1 . . . A 146 LEU H . 25776 1 539 . 1 1 146 146 LEU C C 13 174.909 0.025 . 1 . . . A 146 LEU C . 25776 1 540 . 1 1 146 146 LEU CA C 13 56.175 0.023 . 1 . . . A 146 LEU CA . 25776 1 541 . 1 1 146 146 LEU CB C 13 45.163 0.021 . 1 . . . A 146 LEU CB . 25776 1 542 . 1 1 146 146 LEU N N 15 121.579 0.068 . 1 . . . A 146 LEU N . 25776 1 543 . 1 1 147 147 ALA H H 1 8.123 0.012 . 1 . . . A 147 ALA H . 25776 1 544 . 1 1 147 147 ALA C C 13 175.588 0.006 . 1 . . . A 147 ALA C . 25776 1 545 . 1 1 147 147 ALA CA C 13 50.934 0.001 . 1 . . . A 147 ALA CA . 25776 1 546 . 1 1 147 147 ALA CB C 13 25.105 0.019 . 1 . . . A 147 ALA CB . 25776 1 547 . 1 1 147 147 ALA N N 15 121.342 0.05 . 1 . . . A 147 ALA N . 25776 1 548 . 1 1 148 148 GLY H H 1 9.216 0.012 . 1 . . . A 148 GLY H . 25776 1 549 . 1 1 148 148 GLY C C 13 171.829 0.023 . 1 . . . A 148 GLY C . 25776 1 550 . 1 1 148 148 GLY CA C 13 44.748 0.008 . 1 . . . A 148 GLY CA . 25776 1 551 . 1 1 148 148 GLY N N 15 106.598 0.041 . 1 . . . A 148 GLY N . 25776 1 552 . 1 1 149 149 GLU H H 1 8.493 0.012 . 1 . . . A 149 GLU H . 25776 1 553 . 1 1 149 149 GLU C C 13 174.078 0.001 . 1 . . . A 149 GLU C . 25776 1 554 . 1 1 149 149 GLU CA C 13 55.802 0.014 . 1 . . . A 149 GLU CA . 25776 1 555 . 1 1 149 149 GLU CB C 13 38.415 0.026 . 1 . . . A 149 GLU CB . 25776 1 556 . 1 1 149 149 GLU N N 15 122.775 0.058 . 1 . . . A 149 GLU N . 25776 1 557 . 1 1 150 150 LEU H H 1 8.58 0.011 . 1 . . . A 150 LEU H . 25776 1 558 . 1 1 150 150 LEU C C 13 174.309 0.023 . 1 . . . A 150 LEU C . 25776 1 559 . 1 1 150 150 LEU CA C 13 54.942 0.016 . 1 . . . A 150 LEU CA . 25776 1 560 . 1 1 150 150 LEU CB C 13 48.491 0.002 . 1 . . . A 150 LEU CB . 25776 1 561 . 1 1 150 150 LEU N N 15 126.31 0.039 . 1 . . . A 150 LEU N . 25776 1 562 . 1 1 151 151 GLY H H 1 8.115 0.012 . 1 . . . A 151 GLY H . 25776 1 563 . 1 1 151 151 GLY C C 13 170.538 0.026 . 1 . . . A 151 GLY C . 25776 1 564 . 1 1 151 151 GLY CA C 13 46.62 0.015 . 1 . . . A 151 GLY CA . 25776 1 565 . 1 1 151 151 GLY N N 15 109.909 0.038 . 1 . . . A 151 GLY N . 25776 1 566 . 1 1 152 152 PHE H H 1 8.365 0.012 . 1 . . . A 152 PHE H . 25776 1 567 . 1 1 152 152 PHE C C 13 171.455 0.007 . 1 . . . A 152 PHE C . 25776 1 568 . 1 1 152 152 PHE CA C 13 58.712 0.002 . 1 . . . A 152 PHE CA . 25776 1 569 . 1 1 152 152 PHE CB C 13 42.495 0.003 . 1 . . . A 152 PHE CB . 25776 1 570 . 1 1 152 152 PHE N N 15 111.012 0.033 . 1 . . . A 152 PHE N . 25776 1 571 . 1 1 153 153 ASP H H 1 8.014 0.011 . 1 . . . A 153 ASP H . 25776 1 572 . 1 1 153 153 ASP C C 13 176.522 0.005 . 1 . . . A 153 ASP C . 25776 1 573 . 1 1 153 153 ASP CA C 13 53.466 0.001 . 1 . . . A 153 ASP CA . 25776 1 574 . 1 1 153 153 ASP CB C 13 45.097 0.002 . 1 . . . A 153 ASP CB . 25776 1 575 . 1 1 153 153 ASP N N 15 119.057 0.042 . 1 . . . A 153 ASP N . 25776 1 576 . 1 1 154 154 TYR H H 1 9.744 0.014 . 1 . . . A 154 TYR H . 25776 1 577 . 1 1 154 154 TYR C C 13 175.593 0.014 . 1 . . . A 154 TYR C . 25776 1 578 . 1 1 154 154 TYR CA C 13 57.888 0.001 . 1 . . . A 154 TYR CA . 25776 1 579 . 1 1 154 154 TYR CB C 13 42.822 0.028 . 1 . . . A 154 TYR CB . 25776 1 580 . 1 1 154 154 TYR N N 15 123.64 0.056 . 1 . . . A 154 TYR N . 25776 1 581 . 1 1 155 155 MET H H 1 8.659 0.02 . 1 . . . A 155 MET H . 25776 1 582 . 1 1 155 155 MET C C 13 174.938 0.006 . 1 . . . A 155 MET C . 25776 1 583 . 1 1 155 155 MET CA C 13 55.41 0.006 . 1 . . . A 155 MET CA . 25776 1 584 . 1 1 155 155 MET CB C 13 29.17 0.014 . 1 . . . A 155 MET CB . 25776 1 585 . 1 1 155 155 MET N N 15 126.409 0.064 . 1 . . . A 155 MET N . 25776 1 586 . 1 1 156 156 LEU H H 1 9.232 0.015 . 1 . . . A 156 LEU H . 25776 1 587 . 1 1 156 156 LEU C C 13 177.567 0.027 . 1 . . . A 156 LEU C . 25776 1 588 . 1 1 156 156 LEU CA C 13 56.573 0.053 . 1 . . . A 156 LEU CA . 25776 1 589 . 1 1 156 156 LEU CB C 13 43.912 0.036 . 1 . . . A 156 LEU CB . 25776 1 590 . 1 1 156 156 LEU N N 15 125.396 0.042 . 1 . . . A 156 LEU N . 25776 1 591 . 1 1 157 157 ASN H H 1 8.099 0.018 . 1 . . . A 157 ASN H . 25776 1 592 . 1 1 157 157 ASN C C 13 173.568 0.001 . 1 . . . A 157 ASN C . 25776 1 593 . 1 1 157 157 ASN CA C 13 53.192 0.017 . 1 . . . A 157 ASN CA . 25776 1 594 . 1 1 157 157 ASN CB C 13 37.911 0.002 . 1 . . . A 157 ASN CB . 25776 1 595 . 1 1 157 157 ASN N N 15 114.903 0.048 . 1 . . . A 157 ASN N . 25776 1 596 . 1 1 158 158 GLU H H 1 8.625 0.013 . 1 . . . A 158 GLU H . 25776 1 597 . 1 1 158 158 GLU C C 13 176.032 0.005 . 1 . . . A 158 GLU C . 25776 1 598 . 1 1 158 158 GLU CA C 13 60.678 0.005 . 1 . . . A 158 GLU CA . 25776 1 599 . 1 1 158 158 GLU CB C 13 30.515 0.001 . 1 . . . A 158 GLU CB . 25776 1 600 . 1 1 158 158 GLU N N 15 114.724 0.062 . 1 . . . A 158 GLU N . 25776 1 601 . 1 1 159 159 HIS H H 1 8.201 0.016 . 1 . . . A 159 HIS H . 25776 1 602 . 1 1 159 159 HIS C C 13 173.158 0.014 . 1 . . . A 159 HIS C . 25776 1 603 . 1 1 159 159 HIS CA C 13 57.436 0.014 . 1 . . . A 159 HIS CA . 25776 1 604 . 1 1 159 159 HIS CB C 13 33.392 0.009 . 1 . . . A 159 HIS CB . 25776 1 605 . 1 1 159 159 HIS N N 15 111.022 0.063 . 1 . . . A 159 HIS N . 25776 1 606 . 1 1 160 160 ALA H H 1 8.389 0.017 . 1 . . . A 160 ALA H . 25776 1 607 . 1 1 160 160 ALA C C 13 176.212 0.005 . 1 . . . A 160 ALA C . 25776 1 608 . 1 1 160 160 ALA CA C 13 52.322 0.002 . 1 . . . A 160 ALA CA . 25776 1 609 . 1 1 160 160 ALA CB C 13 22.426 0.021 . 1 . . . A 160 ALA CB . 25776 1 610 . 1 1 160 160 ALA N N 15 122.967 0.048 . 1 . . . A 160 ALA N . 25776 1 611 . 1 1 161 161 LEU H H 1 8.616 0.011 . 1 . . . A 161 LEU H . 25776 1 612 . 1 1 161 161 LEU C C 13 174.922 0.011 . 1 . . . A 161 LEU C . 25776 1 613 . 1 1 161 161 LEU CA C 13 54.885 0.002 . 1 . . . A 161 LEU CA . 25776 1 614 . 1 1 161 161 LEU CB C 13 46.495 0.035 . 1 . . . A 161 LEU CB . 25776 1 615 . 1 1 161 161 LEU N N 15 116.648 0.036 . 1 . . . A 161 LEU N . 25776 1 616 . 1 1 162 162 PHE H H 1 9.221 0.015 . 1 . . . A 162 PHE H . 25776 1 617 . 1 1 162 162 PHE C C 13 171.989 0.013 . 1 . . . A 162 PHE C . 25776 1 618 . 1 1 162 162 PHE CA C 13 57.018 0.003 . 1 . . . A 162 PHE CA . 25776 1 619 . 1 1 162 162 PHE CB C 13 44.089 0.025 . 1 . . . A 162 PHE CB . 25776 1 620 . 1 1 162 162 PHE N N 15 121.938 0.05 . 1 . . . A 162 PHE N . 25776 1 621 . 1 1 163 163 ASN H H 1 7.735 0.016 . 1 . . . A 163 ASN H . 25776 1 622 . 1 1 163 163 ASN C C 13 171.357 0.009 . 1 . . . A 163 ASN C . 25776 1 623 . 1 1 163 163 ASN CA C 13 52.949 0.005 . 1 . . . A 163 ASN CA . 25776 1 624 . 1 1 163 163 ASN CB C 13 47.04 0.008 . 1 . . . A 163 ASN CB . 25776 1 625 . 1 1 163 163 ASN N N 15 127.932 0.036 . 1 . . . A 163 ASN N . 25776 1 626 . 1 1 164 164 MET H H 1 7.092 0.008 . 1 . . . A 164 MET H . 25776 1 627 . 1 1 164 164 MET C C 13 172.837 0.025 . 1 . . . A 164 MET C . 25776 1 628 . 1 1 164 164 MET CA C 13 55.914 0.022 . 1 . . . A 164 MET CA . 25776 1 629 . 1 1 164 164 MET CB C 13 38.643 0.018 . 1 . . . A 164 MET CB . 25776 1 630 . 1 1 164 164 MET N N 15 120.121 0.048 . 1 . . . A 164 MET N . 25776 1 631 . 1 1 165 165 ALA H H 1 8.37 0.007 . 1 . . . A 165 ALA H . 25776 1 632 . 1 1 165 165 ALA C C 13 174.047 0.012 . 1 . . . A 165 ALA C . 25776 1 633 . 1 1 165 165 ALA CA C 13 52.414 0.014 . 1 . . . A 165 ALA CA . 25776 1 634 . 1 1 165 165 ALA CB C 13 23.143 0.03 . 1 . . . A 165 ALA CB . 25776 1 635 . 1 1 165 165 ALA N N 15 120.745 0.061 . 1 . . . A 165 ALA N . 25776 1 636 . 1 1 166 166 VAL H H 1 8.723 0.011 . 1 . . . A 166 VAL H . 25776 1 637 . 1 1 166 166 VAL C C 13 172.556 0.021 . 1 . . . A 166 VAL C . 25776 1 638 . 1 1 166 166 VAL CA C 13 60.628 0.011 . 1 . . . A 166 VAL CA . 25776 1 639 . 1 1 166 166 VAL CB C 13 36.127 0.013 . 1 . . . A 166 VAL CB . 25776 1 640 . 1 1 166 166 VAL N N 15 118.385 0.07 . 1 . . . A 166 VAL N . 25776 1 641 . 1 1 167 167 TRP H H 1 9.312 0.01 . 1 . . . A 167 TRP H . 25776 1 642 . 1 1 167 167 TRP C C 13 174.016 0.011 . 1 . . . A 167 TRP C . 25776 1 643 . 1 1 167 167 TRP CA C 13 57.604 0.038 . 1 . . . A 167 TRP CA . 25776 1 644 . 1 1 167 167 TRP CB C 13 33.659 0.054 . 1 . . . A 167 TRP CB . 25776 1 645 . 1 1 167 167 TRP N N 15 123.258 0.035 . 1 . . . A 167 TRP N . 25776 1 646 . 1 1 168 168 TYR H H 1 8.398 0.011 . 1 . . . A 168 TYR H . 25776 1 647 . 1 1 168 168 TYR C C 13 175.11 0.017 . 1 . . . A 168 TYR C . 25776 1 648 . 1 1 168 168 TYR CA C 13 57.186 0.02 . 1 . . . A 168 TYR CA . 25776 1 649 . 1 1 168 168 TYR CB C 13 42.44 0.023 . 1 . . . A 168 TYR CB . 25776 1 650 . 1 1 168 168 TYR N N 15 121.455 0.064 . 1 . . . A 168 TYR N . 25776 1 651 . 1 1 169 169 MET H H 1 8.131 0.004 . 1 . . . A 169 MET H . 25776 1 652 . 1 1 169 169 MET C C 13 172.688 0.0074 . 1 . . . A 169 MET C . 25776 1 653 . 1 1 169 169 MET CA C 13 55.64 0.079 . 1 . . . A 169 MET CA . 25776 1 654 . 1 1 169 169 MET CB C 13 34.143 0.023 . 1 . . . A 169 MET CB . 25776 1 655 . 1 1 169 169 MET N N 15 124.8 0.079 . 1 . . . A 169 MET N . 25776 1 656 . 1 1 170 170 ASP H H 1 8.191 0.004 . 1 . . . A 170 ASP H . 25776 1 657 . 1 1 170 170 ASP C C 13 174.864 0.029 . 1 . . . A 170 ASP C . 25776 1 658 . 1 1 170 170 ASP CA C 13 54.883 0.023 . 1 . . . A 170 ASP CA . 25776 1 659 . 1 1 170 170 ASP CB C 13 41.678 0.05 . 1 . . . A 170 ASP CB . 25776 1 660 . 1 1 170 170 ASP N N 15 122.78 0.068 . 1 . . . A 170 ASP N . 25776 1 661 . 1 1 171 171 ILE H H 1 7.805 0.008 . 1 . . . A 171 ILE H . 25776 1 662 . 1 1 171 171 ILE C C 13 174.476 0.003 . 1 . . . A 171 ILE C . 25776 1 663 . 1 1 171 171 ILE CA C 13 60.943 0.005 . 1 . . . A 171 ILE CA . 25776 1 664 . 1 1 171 171 ILE CB C 13 40.521 0.031 . 1 . . . A 171 ILE CB . 25776 1 665 . 1 1 171 171 ILE N N 15 127.252 0.041 . 1 . . . A 171 ILE N . 25776 1 666 . 1 1 172 172 ASP H H 1 8.541 0.011 . 1 . . . A 172 ASP H . 25776 1 667 . 1 1 172 172 ASP C C 13 174.52 0.002 . 1 . . . A 172 ASP C . 25776 1 668 . 1 1 172 172 ASP CA C 13 53.801 0.003 . 1 . . . A 172 ASP CA . 25776 1 669 . 1 1 172 172 ASP CB C 13 43.089 0.036 . 1 . . . A 172 ASP CB . 25776 1 670 . 1 1 172 172 ASP N N 15 129.369 0.043 . 1 . . . A 172 ASP N . 25776 1 671 . 1 1 173 173 THR H H 1 8.814 0.011 . 1 . . . A 173 THR H . 25776 1 672 . 1 1 173 173 THR C C 13 172.17 0.017 . 1 . . . A 173 THR C . 25776 1 673 . 1 1 173 173 THR CA C 13 60.936 0.02 . 1 . . . A 173 THR CA . 25776 1 674 . 1 1 173 173 THR CB C 13 70.002 0.023 . 1 . . . A 173 THR CB . 25776 1 675 . 1 1 173 173 THR N N 15 118.92 0.042 . 1 . . . A 173 THR N . 25776 1 676 . 1 1 176 176 SER C C 13 174.672 0.017 . 1 . . . A 176 SER C . 25776 1 677 . 1 1 176 176 SER CA C 13 58.834 0.02 . 1 . . . A 176 SER CA . 25776 1 678 . 1 1 176 176 SER CB C 13 64.984 0.023 . 1 . . . A 176 SER CB . 25776 1 679 . 1 1 177 177 ILE H H 1 7.993 0.007 . 1 . . . A 177 ILE H . 25776 1 680 . 1 1 177 177 ILE C C 13 174.945 0.038 . 1 . . . A 177 ILE C . 25776 1 681 . 1 1 177 177 ILE CA C 13 62.346 0.066 . 1 . . . A 177 ILE CA . 25776 1 682 . 1 1 177 177 ILE CB C 13 40.139 0.079 . 1 . . . A 177 ILE CB . 25776 1 683 . 1 1 177 177 ILE N N 15 121.645 0.04 . 1 . . . A 177 ILE N . 25776 1 684 . 1 1 178 178 ASN H H 1 7.882 0.01 . 1 . . . A 178 ASN H . 25776 1 685 . 1 1 178 178 ASN C C 13 179.12 0.017 . 1 . . . A 178 ASN C . 25776 1 686 . 1 1 178 178 ASN CA C 13 55.663 0.02 . 1 . . . A 178 ASN CA . 25776 1 687 . 1 1 178 178 ASN CB C 13 41.919 0.023 . 1 . . . A 178 ASN CB . 25776 1 688 . 1 1 178 178 ASN N N 15 127.223 0.036 . 1 . . . A 178 ASN N . 25776 1 689 . 1 1 182 182 ALA H H 1 8.1 0.012 . 1 . . . A 182 ALA H . 25776 1 690 . 1 1 182 182 ALA C C 13 177.68 0.015 . 1 . . . A 182 ALA C . 25776 1 691 . 1 1 182 182 ALA CA C 13 54.216 0.02 . 1 . . . A 182 ALA CA . 25776 1 692 . 1 1 182 182 ALA CB C 13 19.769 0.023 . 1 . . . A 182 ALA CB . 25776 1 693 . 1 1 182 182 ALA N N 15 124.095 0.048 . 1 . . . A 182 ALA N . 25776 1 694 . 1 1 183 183 LEU H H 1 7.854 0.014 . 1 . . . A 183 LEU H . 25776 1 695 . 1 1 183 183 LEU C C 13 177.352 0.022 . 1 . . . A 183 LEU C . 25776 1 696 . 1 1 183 183 LEU CA C 13 55.827 0.048 . 1 . . . A 183 LEU CA . 25776 1 697 . 1 1 183 183 LEU CB C 13 43.184 0.06 . 1 . . . A 183 LEU CB . 25776 1 698 . 1 1 183 183 LEU N N 15 118.394 0.037 . 1 . . . A 183 LEU N . 25776 1 699 . 1 1 184 184 GLY H H 1 7.883 0.006 . 1 . . . A 184 GLY H . 25776 1 700 . 1 1 184 184 GLY C C 13 174.288 0.047 . 1 . . . A 184 GLY C . 25776 1 701 . 1 1 184 184 GLY CA C 13 46.676 0.044 . 1 . . . A 184 GLY CA . 25776 1 702 . 1 1 184 184 GLY N N 15 107.897 0.042 . 1 . . . A 184 GLY N . 25776 1 703 . 1 1 185 185 VAL H H 1 7.676 0.023 . 1 . . . A 185 VAL H . 25776 1 704 . 1 1 185 185 VAL C C 13 175.475 0.043 . 1 . . . A 185 VAL C . 25776 1 705 . 1 1 185 185 VAL CA C 13 63.048 0.044 . 1 . . . A 185 VAL CA . 25776 1 706 . 1 1 185 185 VAL CB C 13 33.471 0.058 . 1 . . . A 185 VAL CB . 25776 1 707 . 1 1 185 185 VAL N N 15 118.254 0.043 . 1 . . . A 185 VAL N . 25776 1 708 . 1 1 186 186 ASN H H 1 8.331 0.005 . 1 . . . A 186 ASN H . 25776 1 709 . 1 1 186 186 ASN C C 13 174.724 0.013 . 1 . . . A 186 ASN C . 25776 1 710 . 1 1 186 186 ASN CA C 13 54.593 0.055 . 1 . . . A 186 ASN CA . 25776 1 711 . 1 1 186 186 ASN CB C 13 39.898 0.072 . 1 . . . A 186 ASN CB . 25776 1 712 . 1 1 186 186 ASN N N 15 121.756 0.04 . 1 . . . A 186 ASN N . 25776 1 713 . 1 1 187 187 LYS H H 1 8.031 0.003 . 1 . . . A 187 LYS H . 25776 1 714 . 1 1 187 187 LYS C C 13 174.652 0.017 . 1 . . . A 187 LYS C . 25776 1 715 . 1 1 187 187 LYS CA C 13 57.198 0.02 . 1 . . . A 187 LYS CA . 25776 1 716 . 1 1 187 187 LYS CB C 13 34.043 0.023 . 1 . . . A 187 LYS CB . 25776 1 717 . 1 1 187 187 LYS N N 15 120.959 0.028 . 1 . . . A 187 LYS N . 25776 1 718 . 1 1 189 189 LYS C C 13 176.088 0.024 . 1 . . . A 189 LYS C . 25776 1 719 . 1 1 189 189 LYS CA C 13 57.442 0.02 . 1 . . . A 189 LYS CA . 25776 1 720 . 1 1 190 190 VAL H H 1 8.067 0.004 . 1 . . . A 190 VAL H . 25776 1 721 . 1 1 190 190 VAL C C 13 175.545 0.001 . 1 . . . A 190 VAL C . 25776 1 722 . 1 1 190 190 VAL CA C 13 63.121 0.024 . 1 . . . A 190 VAL CA . 25776 1 723 . 1 1 190 190 VAL CB C 13 33.948 0.054 . 1 . . . A 190 VAL CB . 25776 1 724 . 1 1 190 190 VAL N N 15 121.122 0.048 . 1 . . . A 190 VAL N . 25776 1 725 . 1 1 191 191 ASP H H 1 8.282 0.004 . 1 . . . A 191 ASP H . 25776 1 726 . 1 1 191 191 ASP C C 13 175.71 0.038 . 1 . . . A 191 ASP C . 25776 1 727 . 1 1 191 191 ASP CA C 13 55.269 0.039 . 1 . . . A 191 ASP CA . 25776 1 728 . 1 1 191 191 ASP CB C 13 41.978 0.035 . 1 . . . A 191 ASP CB . 25776 1 729 . 1 1 191 191 ASP N N 15 124.022 0.077 . 1 . . . A 191 ASP N . 25776 1 730 . 1 1 192 192 VAL H H 1 7.877 0.014 . 1 . . . A 192 VAL H . 25776 1 731 . 1 1 192 192 VAL C C 13 175.433 0.004 . 1 . . . A 192 VAL C . 25776 1 732 . 1 1 192 192 VAL CA C 13 62.82 0.079 . 1 . . . A 192 VAL CA . 25776 1 733 . 1 1 192 192 VAL CB C 13 34.105 0.023 . 1 . . . A 192 VAL CB . 25776 1 734 . 1 1 192 192 VAL N N 15 118.928 0.032 . 1 . . . A 192 VAL N . 25776 1 735 . 1 1 193 193 ASP H H 1 8.335 0.026 . 1 . . . A 193 ASP H . 25776 1 736 . 1 1 193 193 ASP C C 13 176.118 0.017 . 1 . . . A 193 ASP C . 25776 1 737 . 1 1 193 193 ASP CA C 13 55.211 0.02 . 1 . . . A 193 ASP CA . 25776 1 738 . 1 1 193 193 ASP CB C 13 42.033 0.023 . 1 . . . A 193 ASP CB . 25776 1 739 . 1 1 193 193 ASP N N 15 124.364 0.048 . 1 . . . A 193 ASP N . 25776 1 740 . 1 1 198 198 VAL H H 1 8.474 0.002 . 1 . . . A 198 VAL H . 25776 1 741 . 1 1 198 198 VAL C C 13 174.6 0.015 . 1 . . . A 198 VAL C . 25776 1 742 . 1 1 198 198 VAL CA C 13 60.44 0.02 . 1 . . . A 198 VAL CA . 25776 1 743 . 1 1 198 198 VAL CB C 13 35.1 0.017 . 1 . . . A 198 VAL CB . 25776 1 744 . 1 1 198 198 VAL N N 15 126.4 0.011 . 1 . . . A 198 VAL N . 25776 1 745 . 1 1 199 199 TYR H H 1 8.748 0.006 . 1 . . . A 199 TYR H . 25776 1 746 . 1 1 199 199 TYR C C 13 173.6 0.017 . 1 . . . A 199 TYR C . 25776 1 747 . 1 1 199 199 TYR CA C 13 55.51 0.02 . 1 . . . A 199 TYR CA . 25776 1 748 . 1 1 199 199 TYR CB C 13 40.63 0.023 . 1 . . . A 199 TYR CB . 25776 1 749 . 1 1 199 199 TYR N N 15 123.9 0.049 . 1 . . . A 199 TYR N . 25776 1 750 . 1 1 200 200 MET H H 1 9.057 0.015 . 1 . . . A 200 MET H . 25776 1 751 . 1 1 200 200 MET CA C 13 49.42 0.02 . 1 . . . A 200 MET CA . 25776 1 752 . 1 1 200 200 MET N N 15 123.7 0.05 . 1 . . . A 200 MET N . 25776 1 753 . 1 1 201 201 ILE C C 13 174.016 0.032 . 1 . . . A 201 ILE C . 25776 1 754 . 1 1 201 201 ILE CA C 13 60.474 0.02 . 1 . . . A 201 ILE CA . 25776 1 755 . 1 1 201 201 ILE CB C 13 42.435 0.023 . 1 . . . A 201 ILE CB . 25776 1 756 . 1 1 202 202 GLY H H 1 8.646 0.01 . 1 . . . A 202 GLY H . 25776 1 757 . 1 1 202 202 GLY C C 13 170.124 0.004 . 1 . . . A 202 GLY C . 25776 1 758 . 1 1 202 202 GLY CA C 13 47.56 0.014 . 1 . . . A 202 GLY CA . 25776 1 759 . 1 1 202 202 GLY N N 15 113.215 0.072 . 1 . . . A 202 GLY N . 25776 1 760 . 1 1 203 203 PHE H H 1 8.482 0.018 . 1 . . . A 203 PHE H . 25776 1 761 . 1 1 203 203 PHE C C 13 174.063 0.021 . 1 . . . A 203 PHE C . 25776 1 762 . 1 1 203 203 PHE CA C 13 56.451 0.001 . 1 . . . A 203 PHE CA . 25776 1 763 . 1 1 203 203 PHE CB C 13 45.699 0.005 . 1 . . . A 203 PHE CB . 25776 1 764 . 1 1 203 203 PHE N N 15 116.782 0.072 . 1 . . . A 203 PHE N . 25776 1 765 . 1 1 204 204 GLY H H 1 9.003 0.019 . 1 . . . A 204 GLY H . 25776 1 766 . 1 1 204 204 GLY C C 13 171.097 0.009 . 1 . . . A 204 GLY C . 25776 1 767 . 1 1 204 204 GLY CA C 13 47.474 0.012 . 1 . . . A 204 GLY CA . 25776 1 768 . 1 1 204 204 GLY N N 15 105.936 0.049 . 1 . . . A 204 GLY N . 25776 1 769 . 1 1 205 205 TYR H H 1 9.413 0.024 . 1 . . . A 205 TYR H . 25776 1 770 . 1 1 205 205 TYR C C 13 172.994 0.007 . 1 . . . A 205 TYR C . 25776 1 771 . 1 1 205 205 TYR CA C 13 57.686 0.003 . 1 . . . A 205 TYR CA . 25776 1 772 . 1 1 205 205 TYR CB C 13 45.19 0.004 . 1 . . . A 205 TYR CB . 25776 1 773 . 1 1 205 205 TYR N N 15 121.196 0.075 . 1 . . . A 205 TYR N . 25776 1 774 . 1 1 206 206 LYS H H 1 8.364 0.019 . 1 . . . A 206 LYS H . 25776 1 775 . 1 1 206 206 LYS C C 13 174.161 0.018 . 1 . . . A 206 LYS C . 25776 1 776 . 1 1 206 206 LYS CA C 13 55.43 0.005 . 1 . . . A 206 LYS CA . 25776 1 777 . 1 1 206 206 LYS CB C 13 35.425 0.006 . 1 . . . A 206 LYS CB . 25776 1 778 . 1 1 206 206 LYS N N 15 126.788 0.051 . 1 . . . A 206 LYS N . 25776 1 779 . 1 1 207 207 PHE H H 1 9.308 0.015 . 1 . . . A 207 PHE H . 25776 1 780 . 1 1 207 207 PHE C C 13 175.094 0.01 . 1 . . . A 207 PHE C . 25776 1 781 . 1 1 207 207 PHE CA C 13 58.69 0.003 . 1 . . . A 207 PHE CA . 25776 1 782 . 1 1 207 207 PHE CB C 13 41.663 0.06 . 1 . . . A 207 PHE CB . 25776 1 783 . 1 1 207 207 PHE N N 15 126.168 0.073 . 1 . . . A 207 PHE N . 25776 1 784 . 1 1 208 208 LEU H H 1 8.376 0.01 . 1 . . . A 208 LEU H . 25776 1 785 . 1 1 208 208 LEU C C 13 176.58 0.005 . 1 . . . A 208 LEU C . 25776 1 786 . 1 1 208 208 LEU CA C 13 55.471 0.006 . 1 . . . A 208 LEU CA . 25776 1 787 . 1 1 208 208 LEU CB C 13 44.713 0.012 . 1 . . . A 208 LEU CB . 25776 1 788 . 1 1 208 208 LEU N N 15 123.199 0.056 . 1 . . . A 208 LEU N . 25776 1 789 . 1 1 209 209 GLU H H 1 8.5 0.011 . 1 . . . A 209 GLU H . 25776 1 790 . 1 1 209 209 GLU C C 13 176.226 0.001 . 1 . . . A 209 GLU C . 25776 1 791 . 1 1 209 209 GLU CA C 13 57.732 0.02 . 1 . . . A 209 GLU CA . 25776 1 792 . 1 1 209 209 GLU CB C 13 31.453 0.023 . 1 . . . A 209 GLU CB . 25776 1 793 . 1 1 209 209 GLU N N 15 121.96 0.044 . 1 . . . A 209 GLU N . 25776 1 794 . 1 1 210 210 HIS H H 1 8.575 0.004 . 1 . . . A 210 HIS H . 25776 1 795 . 1 1 210 210 HIS C C 13 174.92 0.017 . 1 . . . A 210 HIS C . 25776 1 796 . 1 1 210 210 HIS CA C 13 57.168 0.02 . 1 . . . A 210 HIS CA . 25776 1 797 . 1 1 210 210 HIS CB C 13 31.147 0.023 . 1 . . . A 210 HIS CB . 25776 1 798 . 1 1 210 210 HIS N N 15 120.883 0.051 . 1 . . . A 210 HIS N . 25776 1 stop_ save_