data_19408 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19408 _Entry.Title ; Conformation and dynamics of the periplasmic membrane-protein chaperone complexes OmpX Skp and tOmpA Skp ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-08-03 _Entry.Accession_date 2013-08-03 _Entry.Last_release_date 2015-07-16 _Entry.Original_release_date 2015-07-16 _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 'Skp backbone chemical shifts when bound to its substrate OmpX' _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 Bjoern Burmann . M. . 19408 2 Congwei Wang . . . 19408 3 Sebastian Hiller . . . 19408 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19408 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 283 19408 '15N chemical shifts' 149 19408 '1H chemical shifts' 149 19408 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2015-07-16 2013-08-03 update author 'update entry citation' 19408 1 . . 2013-09-10 2013-08-03 original author 'original release' 19408 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19407 'Trimeric Skp' 19408 BMRB 19409 'Trimeric Skp with bound tOmpA' 19408 BMRB 19410 'tOmpA within the trimeric chaperone Skp' 19408 BMRB 19411 'OmpX within the trimeric chaperone Skp' 19408 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19408 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24077225 _Citation.Full_citation . _Citation.Title ; Conformation and dynamics of the periplasmic membrane-protein-chaperone complexes OmpX-Skp and tOmpA-Skp ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full 'Nature Structural and Molecular Biology' _Citation.Journal_volume 20 _Citation.Journal_issue 11 _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 1265 _Citation.Page_last 1272 _Citation.Year 2013 _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 Bjoern Burmann . M. . 19408 1 2 Congwei Wang . . . 19408 1 3 Sebastian Hiller . . . 19408 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19408 _Assembly.ID 1 _Assembly.Name 'trimeric Skp with bound OmpX' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 64100 _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 'Skp, chain 1' 1 $Escherichia_Coli_Skp A . yes native no no . . . 19408 1 2 'Skp, chain 2' 1 $Escherichia_Coli_Skp B . yes native no no . . . 19408 1 3 'Skp, chain 3' 1 $Escherichia_Coli_Skp C . yes native no no . . . 19408 1 4 OmpX 2 $Escherichia_Coli_OmpX D . no unfolded no no . . . 19408 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Escherichia_Coli_Skp _Entity.Sf_category entity _Entity.Sf_framecode Escherichia_Coli_Skp _Entity.Entry_ID 19408 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Escherichia_Coli_Skp _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSSGLVPRGSH MADKIAIVNMGSLFQQVAQK TGVSNTLENEFKGRASELQR METDLQAKMKKLQSMKAGSD RTKLEKDVMAQRQTFAQKAQ AFEQDRARRSNEERGKLVTR IQTAVKSVANSQDIDLVVDA NAVAYNSSDVKDITADVLKQ VKIYGVVGVGYGKFQQTENQ GLNRTASNSDYGFSYGAGMQ FNPIENVALDFSYEQSRIRN VDVGTWIAGVGYRF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'native processed E. coli SKP (residues 21 - 161) hexahistidin-tag and Thrombin cleavage site (coming from pET28b)' _Entity.Polymer_author_seq_details 'native processed E. coli SKP (residues 21 - 161) hexahistidin-tag and Thrombin cleavage site (coming from pET28b)' _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 234 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'Escherichia Coli Skp' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P0AEU7 . . . . . . . . . . . . . . . . 19408 1 2 no BMRB 19407 . Escherichia_Coli_Skp . . . . . 100.00 234 100.00 100.00 6.59e-171 . . . . 19408 1 3 no BMRB 19409 . Escherichia_Coli_Skp . . . . . 69.23 162 100.00 100.00 2.97e-111 . . . . 19408 1 4 no BMRB 19730 . Escherichia_Coli_Skp . . . . . 69.23 162 100.00 100.00 2.97e-111 . . . . 19408 1 5 no BMRB 19733 . Escherichia_Coli_Skp . . . . . 69.23 162 100.00 100.00 2.97e-111 . . . . 19408 1 6 no PDB 1SG2 . "Crystal Structure Of The Periplasmic Chaperone Skp" . . . . . 60.26 153 100.00 100.00 1.41e-91 . . . . 19408 1 7 no EMBL CDL25894 . "Outer membrane protein H precursor [Escherichia coli ISC7]" . . . . . 56.84 133 100.00 100.00 2.33e-86 . . . . 19408 1 8 no GB ADN44803 . "histone-like protein [Escherichia coli ABU 83972]" . . . . . 56.84 133 100.00 100.00 2.33e-86 . . . . 19408 1 9 no GB AFG39053 . "Chaperone protein skp precursor [Escherichia coli P12b]" . . . . . 56.84 133 100.00 100.00 2.33e-86 . . . . 19408 1 10 no GB EDZ78162 . "chaperone protein Skp [Escherichia coli O157:H7 str. EC4206]" . . . . . 56.84 133 100.00 100.00 2.33e-86 . . . . 19408 1 11 no GB EID69435 . "outer membrane chaperone Skp (OmpH) [Escherichia coli W26]" . . . . . 56.84 133 100.00 100.00 2.33e-86 . . . . 19408 1 12 no GB EMV37114 . "chaperone protein skp [Escherichia coli BCE002_MS12]" . . . . . 61.54 161 97.92 98.61 2.53e-92 . . . . 19408 1 13 no REF WP_001387023 . "chaperone protein skp [Escherichia coli]" . . . . . 61.54 161 97.92 98.61 2.53e-92 . . . . 19408 1 14 no REF WP_024201252 . "molecular chaperone [Escherichia coli]" . . . . . 61.97 148 97.24 97.93 1.20e-92 . . . . 19408 1 15 no REF WP_050877050 . "molecular chaperone [Escherichia coli]" . . . . . 61.54 161 97.92 98.61 4.82e-92 . . . . 19408 1 16 no REF WP_052985403 . "molecular chaperone, partial [Shigella sonnei]" . . . . . 52.99 124 100.00 100.00 1.97e-79 . . . . 19408 1 17 no REF WP_052989315 . "molecular chaperone, partial [Shigella sonnei]" . . . . . 53.42 125 100.00 100.00 4.29e-80 . . . . 19408 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 0 MET . 19408 1 2 1 GLY . 19408 1 3 2 SER . 19408 1 4 3 SER . 19408 1 5 4 HIS . 19408 1 6 5 HIS . 19408 1 7 6 HIS . 19408 1 8 7 HIS . 19408 1 9 8 HIS . 19408 1 10 9 HIS . 19408 1 11 10 SER . 19408 1 12 11 SER . 19408 1 13 12 GLY . 19408 1 14 13 LEU . 19408 1 15 14 VAL . 19408 1 16 15 PRO . 19408 1 17 16 ARG . 19408 1 18 17 GLY . 19408 1 19 18 SER . 19408 1 20 19 HIS . 19408 1 21 20 MET . 19408 1 22 21 ALA . 19408 1 23 22 ASP . 19408 1 24 23 LYS . 19408 1 25 24 ILE . 19408 1 26 25 ALA . 19408 1 27 26 ILE . 19408 1 28 27 VAL . 19408 1 29 28 ASN . 19408 1 30 29 MET . 19408 1 31 30 GLY . 19408 1 32 31 SER . 19408 1 33 32 LEU . 19408 1 34 33 PHE . 19408 1 35 34 GLN . 19408 1 36 35 GLN . 19408 1 37 36 VAL . 19408 1 38 37 ALA . 19408 1 39 38 GLN . 19408 1 40 39 LYS . 19408 1 41 40 THR . 19408 1 42 41 GLY . 19408 1 43 42 VAL . 19408 1 44 43 SER . 19408 1 45 44 ASN . 19408 1 46 45 THR . 19408 1 47 46 LEU . 19408 1 48 47 GLU . 19408 1 49 48 ASN . 19408 1 50 49 GLU . 19408 1 51 50 PHE . 19408 1 52 51 LYS . 19408 1 53 52 GLY . 19408 1 54 53 ARG . 19408 1 55 54 ALA . 19408 1 56 55 SER . 19408 1 57 56 GLU . 19408 1 58 57 LEU . 19408 1 59 58 GLN . 19408 1 60 59 ARG . 19408 1 61 60 MET . 19408 1 62 61 GLU . 19408 1 63 62 THR . 19408 1 64 63 ASP . 19408 1 65 64 LEU . 19408 1 66 65 GLN . 19408 1 67 66 ALA . 19408 1 68 67 LYS . 19408 1 69 68 MET . 19408 1 70 69 LYS . 19408 1 71 70 LYS . 19408 1 72 71 LEU . 19408 1 73 72 GLN . 19408 1 74 73 SER . 19408 1 75 74 MET . 19408 1 76 75 LYS . 19408 1 77 76 ALA . 19408 1 78 77 GLY . 19408 1 79 78 SER . 19408 1 80 79 ASP . 19408 1 81 80 ARG . 19408 1 82 81 THR . 19408 1 83 82 LYS . 19408 1 84 83 LEU . 19408 1 85 84 GLU . 19408 1 86 85 LYS . 19408 1 87 86 ASP . 19408 1 88 87 VAL . 19408 1 89 88 MET . 19408 1 90 89 ALA . 19408 1 91 90 GLN . 19408 1 92 91 ARG . 19408 1 93 92 GLN . 19408 1 94 93 THR . 19408 1 95 94 PHE . 19408 1 96 95 ALA . 19408 1 97 96 GLN . 19408 1 98 97 LYS . 19408 1 99 98 ALA . 19408 1 100 99 GLN . 19408 1 101 100 ALA . 19408 1 102 101 PHE . 19408 1 103 102 GLU . 19408 1 104 103 GLN . 19408 1 105 104 ASP . 19408 1 106 105 ARG . 19408 1 107 106 ALA . 19408 1 108 107 ARG . 19408 1 109 108 ARG . 19408 1 110 109 SER . 19408 1 111 110 ASN . 19408 1 112 111 GLU . 19408 1 113 112 GLU . 19408 1 114 113 ARG . 19408 1 115 114 GLY . 19408 1 116 115 LYS . 19408 1 117 116 LEU . 19408 1 118 117 VAL . 19408 1 119 118 THR . 19408 1 120 119 ARG . 19408 1 121 120 ILE . 19408 1 122 121 GLN . 19408 1 123 122 THR . 19408 1 124 123 ALA . 19408 1 125 124 VAL . 19408 1 126 125 LYS . 19408 1 127 126 SER . 19408 1 128 127 VAL . 19408 1 129 128 ALA . 19408 1 130 129 ASN . 19408 1 131 130 SER . 19408 1 132 131 GLN . 19408 1 133 132 ASP . 19408 1 134 133 ILE . 19408 1 135 134 ASP . 19408 1 136 135 LEU . 19408 1 137 136 VAL . 19408 1 138 137 VAL . 19408 1 139 138 ASP . 19408 1 140 139 ALA . 19408 1 141 140 ASN . 19408 1 142 141 ALA . 19408 1 143 142 VAL . 19408 1 144 143 ALA . 19408 1 145 144 TYR . 19408 1 146 145 ASN . 19408 1 147 146 SER . 19408 1 148 147 SER . 19408 1 149 148 ASP . 19408 1 150 149 VAL . 19408 1 151 150 LYS . 19408 1 152 151 ASP . 19408 1 153 152 ILE . 19408 1 154 153 THR . 19408 1 155 154 ALA . 19408 1 156 155 ASP . 19408 1 157 156 VAL . 19408 1 158 157 LEU . 19408 1 159 158 LYS . 19408 1 160 159 GLN . 19408 1 161 160 VAL . 19408 1 162 161 LYS . 19408 1 163 162 ILE . 19408 1 164 163 TYR . 19408 1 165 164 GLY . 19408 1 166 165 VAL . 19408 1 167 166 VAL . 19408 1 168 167 GLY . 19408 1 169 168 VAL . 19408 1 170 169 GLY . 19408 1 171 170 TYR . 19408 1 172 171 GLY . 19408 1 173 172 LYS . 19408 1 174 173 PHE . 19408 1 175 174 GLN . 19408 1 176 175 GLN . 19408 1 177 176 THR . 19408 1 178 177 GLU . 19408 1 179 178 ASN . 19408 1 180 179 GLN . 19408 1 181 180 GLY . 19408 1 182 181 LEU . 19408 1 183 182 ASN . 19408 1 184 183 ARG . 19408 1 185 184 THR . 19408 1 186 185 ALA . 19408 1 187 186 SER . 19408 1 188 187 ASN . 19408 1 189 188 SER . 19408 1 190 189 ASP . 19408 1 191 190 TYR . 19408 1 192 191 GLY . 19408 1 193 192 PHE . 19408 1 194 193 SER . 19408 1 195 194 TYR . 19408 1 196 195 GLY . 19408 1 197 196 ALA . 19408 1 198 197 GLY . 19408 1 199 198 MET . 19408 1 200 199 GLN . 19408 1 201 200 PHE . 19408 1 202 201 ASN . 19408 1 203 202 PRO . 19408 1 204 203 ILE . 19408 1 205 204 GLU . 19408 1 206 205 ASN . 19408 1 207 206 VAL . 19408 1 208 207 ALA . 19408 1 209 208 LEU . 19408 1 210 209 ASP . 19408 1 211 210 PHE . 19408 1 212 211 SER . 19408 1 213 212 TYR . 19408 1 214 213 GLU . 19408 1 215 214 GLN . 19408 1 216 215 SER . 19408 1 217 216 ARG . 19408 1 218 217 ILE . 19408 1 219 218 ARG . 19408 1 220 219 ASN . 19408 1 221 220 VAL . 19408 1 222 221 ASP . 19408 1 223 222 VAL . 19408 1 224 223 GLY . 19408 1 225 224 THR . 19408 1 226 225 TRP . 19408 1 227 226 ILE . 19408 1 228 227 ALA . 19408 1 229 228 GLY . 19408 1 230 229 VAL . 19408 1 231 230 GLY . 19408 1 232 231 TYR . 19408 1 233 232 ARG . 19408 1 234 233 PHE . 19408 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 19408 1 . GLY 2 2 19408 1 . SER 3 3 19408 1 . SER 4 4 19408 1 . HIS 5 5 19408 1 . HIS 6 6 19408 1 . HIS 7 7 19408 1 . HIS 8 8 19408 1 . HIS 9 9 19408 1 . HIS 10 10 19408 1 . SER 11 11 19408 1 . SER 12 12 19408 1 . GLY 13 13 19408 1 . LEU 14 14 19408 1 . VAL 15 15 19408 1 . PRO 16 16 19408 1 . ARG 17 17 19408 1 . GLY 18 18 19408 1 . SER 19 19 19408 1 . HIS 20 20 19408 1 . MET 21 21 19408 1 . ALA 22 22 19408 1 . ASP 23 23 19408 1 . LYS 24 24 19408 1 . ILE 25 25 19408 1 . ALA 26 26 19408 1 . ILE 27 27 19408 1 . VAL 28 28 19408 1 . ASN 29 29 19408 1 . MET 30 30 19408 1 . GLY 31 31 19408 1 . SER 32 32 19408 1 . LEU 33 33 19408 1 . PHE 34 34 19408 1 . GLN 35 35 19408 1 . GLN 36 36 19408 1 . VAL 37 37 19408 1 . ALA 38 38 19408 1 . GLN 39 39 19408 1 . LYS 40 40 19408 1 . THR 41 41 19408 1 . GLY 42 42 19408 1 . VAL 43 43 19408 1 . SER 44 44 19408 1 . ASN 45 45 19408 1 . THR 46 46 19408 1 . LEU 47 47 19408 1 . GLU 48 48 19408 1 . ASN 49 49 19408 1 . GLU 50 50 19408 1 . PHE 51 51 19408 1 . LYS 52 52 19408 1 . GLY 53 53 19408 1 . ARG 54 54 19408 1 . ALA 55 55 19408 1 . SER 56 56 19408 1 . GLU 57 57 19408 1 . LEU 58 58 19408 1 . GLN 59 59 19408 1 . ARG 60 60 19408 1 . MET 61 61 19408 1 . GLU 62 62 19408 1 . THR 63 63 19408 1 . ASP 64 64 19408 1 . LEU 65 65 19408 1 . GLN 66 66 19408 1 . ALA 67 67 19408 1 . LYS 68 68 19408 1 . MET 69 69 19408 1 . LYS 70 70 19408 1 . LYS 71 71 19408 1 . LEU 72 72 19408 1 . GLN 73 73 19408 1 . SER 74 74 19408 1 . MET 75 75 19408 1 . LYS 76 76 19408 1 . ALA 77 77 19408 1 . GLY 78 78 19408 1 . SER 79 79 19408 1 . ASP 80 80 19408 1 . ARG 81 81 19408 1 . THR 82 82 19408 1 . LYS 83 83 19408 1 . LEU 84 84 19408 1 . GLU 85 85 19408 1 . LYS 86 86 19408 1 . ASP 87 87 19408 1 . VAL 88 88 19408 1 . MET 89 89 19408 1 . ALA 90 90 19408 1 . GLN 91 91 19408 1 . ARG 92 92 19408 1 . GLN 93 93 19408 1 . THR 94 94 19408 1 . PHE 95 95 19408 1 . ALA 96 96 19408 1 . GLN 97 97 19408 1 . LYS 98 98 19408 1 . ALA 99 99 19408 1 . GLN 100 100 19408 1 . ALA 101 101 19408 1 . PHE 102 102 19408 1 . GLU 103 103 19408 1 . GLN 104 104 19408 1 . ASP 105 105 19408 1 . ARG 106 106 19408 1 . ALA 107 107 19408 1 . ARG 108 108 19408 1 . ARG 109 109 19408 1 . SER 110 110 19408 1 . ASN 111 111 19408 1 . GLU 112 112 19408 1 . GLU 113 113 19408 1 . ARG 114 114 19408 1 . GLY 115 115 19408 1 . LYS 116 116 19408 1 . LEU 117 117 19408 1 . VAL 118 118 19408 1 . THR 119 119 19408 1 . ARG 120 120 19408 1 . ILE 121 121 19408 1 . GLN 122 122 19408 1 . THR 123 123 19408 1 . ALA 124 124 19408 1 . VAL 125 125 19408 1 . LYS 126 126 19408 1 . SER 127 127 19408 1 . VAL 128 128 19408 1 . ALA 129 129 19408 1 . ASN 130 130 19408 1 . SER 131 131 19408 1 . GLN 132 132 19408 1 . ASP 133 133 19408 1 . ILE 134 134 19408 1 . ASP 135 135 19408 1 . LEU 136 136 19408 1 . VAL 137 137 19408 1 . VAL 138 138 19408 1 . ASP 139 139 19408 1 . ALA 140 140 19408 1 . ASN 141 141 19408 1 . ALA 142 142 19408 1 . VAL 143 143 19408 1 . ALA 144 144 19408 1 . TYR 145 145 19408 1 . ASN 146 146 19408 1 . SER 147 147 19408 1 . SER 148 148 19408 1 . ASP 149 149 19408 1 . VAL 150 150 19408 1 . LYS 151 151 19408 1 . ASP 152 152 19408 1 . ILE 153 153 19408 1 . THR 154 154 19408 1 . ALA 155 155 19408 1 . ASP 156 156 19408 1 . VAL 157 157 19408 1 . LEU 158 158 19408 1 . LYS 159 159 19408 1 . GLN 160 160 19408 1 . VAL 161 161 19408 1 . LYS 162 162 19408 1 . ILE 163 163 19408 1 . TYR 164 164 19408 1 . GLY 165 165 19408 1 . VAL 166 166 19408 1 . VAL 167 167 19408 1 . GLY 168 168 19408 1 . VAL 169 169 19408 1 . GLY 170 170 19408 1 . TYR 171 171 19408 1 . GLY 172 172 19408 1 . LYS 173 173 19408 1 . PHE 174 174 19408 1 . GLN 175 175 19408 1 . GLN 176 176 19408 1 . THR 177 177 19408 1 . GLU 178 178 19408 1 . ASN 179 179 19408 1 . GLN 180 180 19408 1 . GLY 181 181 19408 1 . LEU 182 182 19408 1 . ASN 183 183 19408 1 . ARG 184 184 19408 1 . THR 185 185 19408 1 . ALA 186 186 19408 1 . SER 187 187 19408 1 . ASN 188 188 19408 1 . SER 189 189 19408 1 . ASP 190 190 19408 1 . TYR 191 191 19408 1 . GLY 192 192 19408 1 . PHE 193 193 19408 1 . SER 194 194 19408 1 . TYR 195 195 19408 1 . GLY 196 196 19408 1 . ALA 197 197 19408 1 . GLY 198 198 19408 1 . MET 199 199 19408 1 . GLN 200 200 19408 1 . PHE 201 201 19408 1 . ASN 202 202 19408 1 . PRO 203 203 19408 1 . ILE 204 204 19408 1 . GLU 205 205 19408 1 . ASN 206 206 19408 1 . VAL 207 207 19408 1 . ALA 208 208 19408 1 . LEU 209 209 19408 1 . ASP 210 210 19408 1 . PHE 211 211 19408 1 . SER 212 212 19408 1 . TYR 213 213 19408 1 . GLU 214 214 19408 1 . GLN 215 215 19408 1 . SER 216 216 19408 1 . ARG 217 217 19408 1 . ILE 218 218 19408 1 . ARG 219 219 19408 1 . ASN 220 220 19408 1 . VAL 221 221 19408 1 . ASP 222 222 19408 1 . VAL 223 223 19408 1 . GLY 224 224 19408 1 . THR 225 225 19408 1 . TRP 226 226 19408 1 . ILE 227 227 19408 1 . ALA 228 228 19408 1 . GLY 229 229 19408 1 . VAL 230 230 19408 1 . GLY 231 231 19408 1 . TYR 232 232 19408 1 . ARG 233 233 19408 1 . PHE 234 234 19408 1 stop_ save_ save_Escherichia_Coli_OmpX _Entity.Sf_category entity _Entity.Sf_framecode Escherichia_Coli_OmpX _Entity.Entry_ID 19408 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Escherichia_Coli_OmpX _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MATSTVTGGYAQSDMQGVMN KTNGFNLKYRYEQDNNPLGV IGSFTYTEKDRTENGSYNKG QYYGITAGPAYRLNDWASIY GVVGVGYGKFQQTENQGLNR TASNSDYGFSYGAGMQFNPI ENVALDFSYEQSRIRNVDVG TWIAGVGYRF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'native processed E. coli OmpX (rseidues 24 - 172) + initiator methionine' _Entity.Polymer_author_seq_details 'native processed E. coli OmpX (rseidues 24 - 172) + initiator methionine' _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 150 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment 'Escherichia Coli OmpX' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P25253 . . . . . . . . . . . . . . . . 19408 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 0 MET . 19408 2 2 1 ALA . 19408 2 3 2 THR . 19408 2 4 3 SER . 19408 2 5 4 THR . 19408 2 6 5 VAL . 19408 2 7 6 THR . 19408 2 8 7 GLY . 19408 2 9 8 GLY . 19408 2 10 9 TYR . 19408 2 11 10 ALA . 19408 2 12 11 GLN . 19408 2 13 12 SER . 19408 2 14 13 ASP . 19408 2 15 14 MET . 19408 2 16 15 GLN . 19408 2 17 16 GLY . 19408 2 18 17 VAL . 19408 2 19 18 MET . 19408 2 20 19 ASN . 19408 2 21 20 LYS . 19408 2 22 21 THR . 19408 2 23 22 ASN . 19408 2 24 23 GLY . 19408 2 25 24 PHE . 19408 2 26 25 ASN . 19408 2 27 26 LEU . 19408 2 28 27 LYS . 19408 2 29 28 TYR . 19408 2 30 29 ARG . 19408 2 31 30 TYR . 19408 2 32 31 GLU . 19408 2 33 32 GLN . 19408 2 34 33 ASP . 19408 2 35 34 ASN . 19408 2 36 35 ASN . 19408 2 37 36 PRO . 19408 2 38 37 LEU . 19408 2 39 38 GLY . 19408 2 40 39 VAL . 19408 2 41 40 ILE . 19408 2 42 41 GLY . 19408 2 43 42 SER . 19408 2 44 43 PHE . 19408 2 45 44 THR . 19408 2 46 45 TYR . 19408 2 47 46 THR . 19408 2 48 47 GLU . 19408 2 49 48 LYS . 19408 2 50 49 ASP . 19408 2 51 50 ARG . 19408 2 52 51 THR . 19408 2 53 52 GLU . 19408 2 54 53 ASN . 19408 2 55 54 GLY . 19408 2 56 55 SER . 19408 2 57 56 TYR . 19408 2 58 57 ASN . 19408 2 59 58 LYS . 19408 2 60 59 GLY . 19408 2 61 60 GLN . 19408 2 62 61 TYR . 19408 2 63 62 TYR . 19408 2 64 63 GLY . 19408 2 65 64 ILE . 19408 2 66 65 THR . 19408 2 67 66 ALA . 19408 2 68 67 GLY . 19408 2 69 68 PRO . 19408 2 70 69 ALA . 19408 2 71 70 TYR . 19408 2 72 71 ARG . 19408 2 73 72 LEU . 19408 2 74 73 ASN . 19408 2 75 74 ASP . 19408 2 76 75 TRP . 19408 2 77 76 ALA . 19408 2 78 77 SER . 19408 2 79 78 ILE . 19408 2 80 79 TYR . 19408 2 81 80 GLY . 19408 2 82 81 VAL . 19408 2 83 82 VAL . 19408 2 84 83 GLY . 19408 2 85 84 VAL . 19408 2 86 85 GLY . 19408 2 87 86 TYR . 19408 2 88 87 GLY . 19408 2 89 88 LYS . 19408 2 90 89 PHE . 19408 2 91 90 GLN . 19408 2 92 91 GLN . 19408 2 93 92 THR . 19408 2 94 93 GLU . 19408 2 95 94 ASN . 19408 2 96 95 GLN . 19408 2 97 96 GLY . 19408 2 98 97 LEU . 19408 2 99 98 ASN . 19408 2 100 99 ARG . 19408 2 101 100 THR . 19408 2 102 101 ALA . 19408 2 103 102 SER . 19408 2 104 103 ASN . 19408 2 105 104 SER . 19408 2 106 105 ASP . 19408 2 107 106 TYR . 19408 2 108 107 GLY . 19408 2 109 108 PHE . 19408 2 110 109 SER . 19408 2 111 110 TYR . 19408 2 112 111 GLY . 19408 2 113 112 ALA . 19408 2 114 113 GLY . 19408 2 115 114 MET . 19408 2 116 115 GLN . 19408 2 117 116 PHE . 19408 2 118 117 ASN . 19408 2 119 118 PRO . 19408 2 120 119 ILE . 19408 2 121 120 GLU . 19408 2 122 121 ASN . 19408 2 123 122 VAL . 19408 2 124 123 ALA . 19408 2 125 124 LEU . 19408 2 126 125 ASP . 19408 2 127 126 PHE . 19408 2 128 127 SER . 19408 2 129 128 TYR . 19408 2 130 129 GLU . 19408 2 131 130 GLN . 19408 2 132 131 SER . 19408 2 133 132 ARG . 19408 2 134 133 ILE . 19408 2 135 134 ARG . 19408 2 136 135 ASN . 19408 2 137 136 VAL . 19408 2 138 137 ASP . 19408 2 139 138 VAL . 19408 2 140 139 GLY . 19408 2 141 140 THR . 19408 2 142 141 TRP . 19408 2 143 142 ILE . 19408 2 144 143 ALA . 19408 2 145 144 GLY . 19408 2 146 145 VAL . 19408 2 147 146 GLY . 19408 2 148 147 TYR . 19408 2 149 148 ARG . 19408 2 150 149 PHE . 19408 2 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 19408 2 . ALA 2 2 19408 2 . THR 3 3 19408 2 . SER 4 4 19408 2 . THR 5 5 19408 2 . VAL 6 6 19408 2 . THR 7 7 19408 2 . GLY 8 8 19408 2 . GLY 9 9 19408 2 . TYR 10 10 19408 2 . ALA 11 11 19408 2 . GLN 12 12 19408 2 . SER 13 13 19408 2 . ASP 14 14 19408 2 . MET 15 15 19408 2 . GLN 16 16 19408 2 . GLY 17 17 19408 2 . VAL 18 18 19408 2 . MET 19 19 19408 2 . ASN 20 20 19408 2 . LYS 21 21 19408 2 . THR 22 22 19408 2 . ASN 23 23 19408 2 . GLY 24 24 19408 2 . PHE 25 25 19408 2 . ASN 26 26 19408 2 . LEU 27 27 19408 2 . LYS 28 28 19408 2 . TYR 29 29 19408 2 . ARG 30 30 19408 2 . TYR 31 31 19408 2 . GLU 32 32 19408 2 . GLN 33 33 19408 2 . ASP 34 34 19408 2 . ASN 35 35 19408 2 . ASN 36 36 19408 2 . PRO 37 37 19408 2 . LEU 38 38 19408 2 . GLY 39 39 19408 2 . VAL 40 40 19408 2 . ILE 41 41 19408 2 . GLY 42 42 19408 2 . SER 43 43 19408 2 . PHE 44 44 19408 2 . THR 45 45 19408 2 . TYR 46 46 19408 2 . THR 47 47 19408 2 . GLU 48 48 19408 2 . LYS 49 49 19408 2 . ASP 50 50 19408 2 . ARG 51 51 19408 2 . THR 52 52 19408 2 . GLU 53 53 19408 2 . ASN 54 54 19408 2 . GLY 55 55 19408 2 . SER 56 56 19408 2 . TYR 57 57 19408 2 . ASN 58 58 19408 2 . LYS 59 59 19408 2 . GLY 60 60 19408 2 . GLN 61 61 19408 2 . TYR 62 62 19408 2 . TYR 63 63 19408 2 . GLY 64 64 19408 2 . ILE 65 65 19408 2 . THR 66 66 19408 2 . ALA 67 67 19408 2 . GLY 68 68 19408 2 . PRO 69 69 19408 2 . ALA 70 70 19408 2 . TYR 71 71 19408 2 . ARG 72 72 19408 2 . LEU 73 73 19408 2 . ASN 74 74 19408 2 . ASP 75 75 19408 2 . TRP 76 76 19408 2 . ALA 77 77 19408 2 . SER 78 78 19408 2 . ILE 79 79 19408 2 . TYR 80 80 19408 2 . GLY 81 81 19408 2 . VAL 82 82 19408 2 . VAL 83 83 19408 2 . GLY 84 84 19408 2 . VAL 85 85 19408 2 . GLY 86 86 19408 2 . TYR 87 87 19408 2 . GLY 88 88 19408 2 . LYS 89 89 19408 2 . PHE 90 90 19408 2 . GLN 91 91 19408 2 . GLN 92 92 19408 2 . THR 93 93 19408 2 . GLU 94 94 19408 2 . ASN 95 95 19408 2 . GLN 96 96 19408 2 . GLY 97 97 19408 2 . LEU 98 98 19408 2 . ASN 99 99 19408 2 . ARG 100 100 19408 2 . THR 101 101 19408 2 . ALA 102 102 19408 2 . SER 103 103 19408 2 . ASN 104 104 19408 2 . SER 105 105 19408 2 . ASP 106 106 19408 2 . TYR 107 107 19408 2 . GLY 108 108 19408 2 . PHE 109 109 19408 2 . SER 110 110 19408 2 . TYR 111 111 19408 2 . GLY 112 112 19408 2 . ALA 113 113 19408 2 . GLY 114 114 19408 2 . MET 115 115 19408 2 . GLN 116 116 19408 2 . PHE 117 117 19408 2 . ASN 118 118 19408 2 . PRO 119 119 19408 2 . ILE 120 120 19408 2 . GLU 121 121 19408 2 . ASN 122 122 19408 2 . VAL 123 123 19408 2 . ALA 124 124 19408 2 . LEU 125 125 19408 2 . ASP 126 126 19408 2 . PHE 127 127 19408 2 . SER 128 128 19408 2 . TYR 129 129 19408 2 . GLU 130 130 19408 2 . GLN 131 131 19408 2 . SER 132 132 19408 2 . ARG 133 133 19408 2 . ILE 134 134 19408 2 . ARG 135 135 19408 2 . ASN 136 136 19408 2 . VAL 137 137 19408 2 . ASP 138 138 19408 2 . VAL 139 139 19408 2 . GLY 140 140 19408 2 . THR 141 141 19408 2 . TRP 142 142 19408 2 . ILE 143 143 19408 2 . ALA 144 144 19408 2 . GLY 145 145 19408 2 . VAL 146 146 19408 2 . GLY 147 147 19408 2 . TYR 148 148 19408 2 . ARG 149 149 19408 2 . PHE 150 150 19408 2 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 19408 _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 $Escherichia_Coli_Skp . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli K12 . . . . . . . . . . . . 19408 1 2 2 $Escherichia_Coli_OmpX . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli K12 . . . . . . . . . . . . 19408 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 19408 _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 $Escherichia_Coli_Skp . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . pET28B-Skp . . . 19408 1 2 2 $Escherichia_Coli_OmpX . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . pET28B-OmpX . . . 19408 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19408 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Protein samples were produced as a 3:1 ratio (Skp monomer per OmpX)' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Escherichia Coli OmpX' '[U-100% 2H]' . . 2 $Escherichia_Coli_OmpX . . . 0.2 0.35 mM . . . . 19408 1 2 'Escherichia Coli Skp (trimer)' '[U-13C; U-15N; U-2H]' . . 1 $Escherichia_Coli_Skp . . . 0.6 1.05 mM . . . . 19408 1 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19408 1 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19408 1 5 MES 'natural abundance' . . . . . . 25 . . mM . . . . 19408 1 6 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 19408 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19408 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.150 . M 19408 1 pH 6.5 . pH 19408 1 pressure 1 . atm 19408 1 temperature 310 . K 19408 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19408 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 19408 1 'Bruker Biospin' . . 19408 1 Guntert . . 19408 1 'Keller and Wuthrich' . . 19408 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19408 1 collection 19408 1 'data analysis' 19408 1 processing 19408 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19408 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AscendII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19408 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19408 _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 AscendII . 700 . . . 19408 1 2 spectrometer_2 Bruker Avance . 800 . . . 19408 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 19408 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19408 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19408 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19408 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19408 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19408 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 19408 _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 . . . . . . . . . 19408 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19408 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19408 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 19408 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19408 1 2 '3D HNCA' . . . 19408 1 3 '3D HNCO' . . . 19408 1 4 '3D HNCACB' . . . 19408 1 5 '3D 1H-15N NOESY' . . . 19408 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 GLY H H 1 8.29 0.02 . 1 . . . . 1 GLY H . 19408 1 2 . 1 1 2 2 GLY CA C 13 44.9 0.3 . 1 . . . . 1 GLY CA . 19408 1 3 . 1 1 2 2 GLY N N 15 110.8 0.3 . 1 . . . . 1 GLY N . 19408 1 4 . 1 1 4 4 SER H H 1 7.94 0.02 . 1 . . . . 3 SER H . 19408 1 5 . 1 1 4 4 SER CA C 13 58.8 0.3 . 1 . . . . 3 SER CA . 19408 1 6 . 1 1 4 4 SER CB C 13 62.3 0.3 . 1 . . . . 3 SER CB . 19408 1 7 . 1 1 4 4 SER N N 15 119.0 0.3 . 1 . . . . 3 SER N . 19408 1 8 . 1 1 11 11 SER H H 1 7.75 0.02 . 1 . . . . 10 SER H . 19408 1 9 . 1 1 11 11 SER CA C 13 61.2 0.3 . 1 . . . . 10 SER CA . 19408 1 10 . 1 1 11 11 SER CB C 13 62.6 0.3 . 1 . . . . 10 SER CB . 19408 1 11 . 1 1 11 11 SER N N 15 113.6 0.3 . 1 . . . . 10 SER N . 19408 1 12 . 1 1 13 13 GLY H H 1 8.19 0.02 . 1 . . . . 12 GLY H . 19408 1 13 . 1 1 13 13 GLY CA C 13 45.2 0.3 . 1 . . . . 12 GLY CA . 19408 1 14 . 1 1 13 13 GLY N N 15 114.7 0.3 . 1 . . . . 12 GLY N . 19408 1 15 . 1 1 14 14 LEU H H 1 7.96 0.02 . 1 . . . . 13 LEU H . 19408 1 16 . 1 1 14 14 LEU CA C 13 55.0 0.3 . 1 . . . . 13 LEU CA . 19408 1 17 . 1 1 14 14 LEU CB C 13 41.7 0.3 . 1 . . . . 13 LEU CB . 19408 1 18 . 1 1 14 14 LEU N N 15 122.0 0.3 . 1 . . . . 13 LEU N . 19408 1 19 . 1 1 15 15 VAL H H 1 8.00 0.02 . 1 . . . . 14 VAL H . 19408 1 20 . 1 1 15 15 VAL CA C 13 59.6 0.3 . 1 . . . . 14 VAL CA . 19408 1 21 . 1 1 15 15 VAL CB C 13 32.0 0.3 . 1 . . . . 14 VAL CB . 19408 1 22 . 1 1 15 15 VAL N N 15 122.5 0.3 . 1 . . . . 14 VAL N . 19408 1 23 . 1 1 17 17 ARG H H 1 8.37 0.02 . 1 . . . . 16 ARG H . 19408 1 24 . 1 1 17 17 ARG CA C 13 56.2 0.3 . 1 . . . . 16 ARG CA . 19408 1 25 . 1 1 17 17 ARG CB C 13 30.2 0.3 . 1 . . . . 16 ARG CB . 19408 1 26 . 1 1 17 17 ARG N N 15 122.2 0.3 . 1 . . . . 16 ARG N . 19408 1 27 . 1 1 18 18 GLY H H 1 8.48 0.02 . 1 . . . . 17 GLY H . 19408 1 28 . 1 1 18 18 GLY CA C 13 45.0 0.3 . 1 . . . . 17 GLY CA . 19408 1 29 . 1 1 18 18 GLY N N 15 110.8 0.3 . 1 . . . . 17 GLY N . 19408 1 30 . 1 1 19 19 SER H H 1 8.13 0.02 . 1 . . . . 18 SER H . 19408 1 31 . 1 1 19 19 SER CA C 13 58.1 0.3 . 1 . . . . 18 SER CA . 19408 1 32 . 1 1 19 19 SER CB C 13 63.8 0.3 . 1 . . . . 18 SER CB . 19408 1 33 . 1 1 19 19 SER N N 15 115.7 0.3 . 1 . . . . 18 SER N . 19408 1 34 . 1 1 20 20 HIS H H 1 8.51 0.02 . 1 . . . . 19 HIS H . 19408 1 35 . 1 1 20 20 HIS CA C 13 58.4 0.3 . 1 . . . . 19 HIS CA . 19408 1 36 . 1 1 20 20 HIS CB C 13 28.2 0.3 . 1 . . . . 19 HIS CB . 19408 1 37 . 1 1 20 20 HIS N N 15 118.1 0.3 . 1 . . . . 19 HIS N . 19408 1 38 . 1 1 22 22 ALA H H 1 8.25 0.02 . 1 . . . . 21 ALA H . 19408 1 39 . 1 1 22 22 ALA CA C 13 55.0 0.3 . 1 . . . . 21 ALA CA . 19408 1 40 . 1 1 22 22 ALA CB C 13 17.4 0.3 . 1 . . . . 21 ALA CB . 19408 1 41 . 1 1 22 22 ALA N N 15 120.8 0.3 . 1 . . . . 21 ALA N . 19408 1 42 . 1 1 23 23 ASP H H 1 8.15 0.02 . 1 . . . . 22 ASP H . 19408 1 43 . 1 1 23 23 ASP CA C 13 58.1 0.3 . 1 . . . . 22 ASP CA . 19408 1 44 . 1 1 23 23 ASP CB C 13 41.3 0.3 . 1 . . . . 22 ASP CB . 19408 1 45 . 1 1 23 23 ASP N N 15 120.8 0.3 . 1 . . . . 22 ASP N . 19408 1 46 . 1 1 24 24 LYS H H 1 8.09 0.02 . 1 . . . . 23 LYS H . 19408 1 47 . 1 1 24 24 LYS CA C 13 58.9 0.3 . 1 . . . . 23 LYS CA . 19408 1 48 . 1 1 24 24 LYS CB C 13 29.7 0.3 . 1 . . . . 23 LYS CB . 19408 1 49 . 1 1 24 24 LYS N N 15 121.0 0.3 . 1 . . . . 23 LYS N . 19408 1 50 . 1 1 25 25 ILE H H 1 8.54 0.02 . 1 . . . . 24 ILE H . 19408 1 51 . 1 1 25 25 ILE CA C 13 59.3 0.3 . 1 . . . . 24 ILE CA . 19408 1 52 . 1 1 25 25 ILE N N 15 122.7 0.3 . 1 . . . . 24 ILE N . 19408 1 53 . 1 1 26 26 ALA H H 1 8.76 0.02 . 1 . . . . 25 ALA H . 19408 1 54 . 1 1 26 26 ALA CA C 13 50.1 0.3 . 1 . . . . 25 ALA CA . 19408 1 55 . 1 1 26 26 ALA CB C 13 24.3 0.3 . 1 . . . . 25 ALA CB . 19408 1 56 . 1 1 26 26 ALA N N 15 126.2 0.3 . 1 . . . . 25 ALA N . 19408 1 57 . 1 1 27 27 ILE H H 1 8.84 0.02 . 1 . . . . 26 ILE H . 19408 1 58 . 1 1 27 27 ILE CA C 13 58.9 0.3 . 1 . . . . 26 ILE CA . 19408 1 59 . 1 1 27 27 ILE CB C 13 41.6 0.3 . 1 . . . . 26 ILE CB . 19408 1 60 . 1 1 27 27 ILE N N 15 115.0 0.3 . 1 . . . . 26 ILE N . 19408 1 61 . 1 1 28 28 VAL H H 1 8.17 0.02 . 1 . . . . 27 VAL H . 19408 1 62 . 1 1 28 28 VAL CA C 13 59.0 0.3 . 1 . . . . 27 VAL CA . 19408 1 63 . 1 1 28 28 VAL CB C 13 34.9 0.3 . 1 . . . . 27 VAL CB . 19408 1 64 . 1 1 28 28 VAL N N 15 117.8 0.3 . 1 . . . . 27 VAL N . 19408 1 65 . 1 1 29 29 ASN H H 1 8.86 0.02 . 1 . . . . 28 ASN H . 19408 1 66 . 1 1 29 29 ASN CA C 13 51.5 0.3 . 1 . . . . 28 ASN CA . 19408 1 67 . 1 1 29 29 ASN CB C 13 36.8 0.3 . 1 . . . . 28 ASN CB . 19408 1 68 . 1 1 29 29 ASN N N 15 128.6 0.3 . 1 . . . . 28 ASN N . 19408 1 69 . 1 1 30 30 MET H H 1 7.99 0.02 . 1 . . . . 29 MET H . 19408 1 70 . 1 1 30 30 MET CA C 13 57.1 0.3 . 1 . . . . 29 MET CA . 19408 1 71 . 1 1 30 30 MET CB C 13 30.5 0.3 . 1 . . . . 29 MET CB . 19408 1 72 . 1 1 30 30 MET N N 15 124.3 0.3 . 1 . . . . 29 MET N . 19408 1 73 . 1 1 31 31 GLY H H 1 9.03 0.02 . 1 . . . . 30 GLY H . 19408 1 74 . 1 1 31 31 GLY CA C 13 47.3 0.3 . 1 . . . . 30 GLY CA . 19408 1 75 . 1 1 31 31 GLY N N 15 108.4 0.3 . 1 . . . . 30 GLY N . 19408 1 76 . 1 1 32 32 SER H H 1 7.73 0.02 . 1 . . . . 31 SER H . 19408 1 77 . 1 1 32 32 SER CA C 13 60.3 0.3 . 1 . . . . 31 SER CA . 19408 1 78 . 1 1 32 32 SER CB C 13 62.8 0.3 . 1 . . . . 31 SER CB . 19408 1 79 . 1 1 32 32 SER N N 15 117.1 0.3 . 1 . . . . 31 SER N . 19408 1 80 . 1 1 33 33 LEU H H 1 8.01 0.02 . 1 . . . . 32 LEU H . 19408 1 81 . 1 1 33 33 LEU CA C 13 58.1 0.3 . 1 . . . . 32 LEU CA . 19408 1 82 . 1 1 33 33 LEU CB C 13 41.7 0.3 . 1 . . . . 32 LEU CB . 19408 1 83 . 1 1 33 33 LEU N N 15 121.1 0.3 . 1 . . . . 32 LEU N . 19408 1 84 . 1 1 34 34 PHE H H 1 8.66 0.02 . 1 . . . . 33 PHE H . 19408 1 85 . 1 1 34 34 PHE CA C 13 62.6 0.3 . 1 . . . . 33 PHE CA . 19408 1 86 . 1 1 34 34 PHE CB C 13 37.1 0.3 . 1 . . . . 33 PHE CB . 19408 1 87 . 1 1 34 34 PHE N N 15 118.8 0.3 . 1 . . . . 33 PHE N . 19408 1 88 . 1 1 35 35 GLN H H 1 7.72 0.02 . 1 . . . . 34 GLN H . 19408 1 89 . 1 1 35 35 GLN CA C 13 59.3 0.3 . 1 . . . . 34 GLN CA . 19408 1 90 . 1 1 35 35 GLN CB C 13 28.2 0.3 . 1 . . . . 34 GLN CB . 19408 1 91 . 1 1 35 35 GLN N N 15 116.6 0.3 . 1 . . . . 34 GLN N . 19408 1 92 . 1 1 36 36 GLN H H 1 8.40 0.02 . 1 . . . . 35 GLN H . 19408 1 93 . 1 1 36 36 GLN CB C 13 29.1 0.3 . 1 . . . . 35 GLN CB . 19408 1 94 . 1 1 36 36 GLN N N 15 117.9 0.3 . 1 . . . . 35 GLN N . 19408 1 95 . 1 1 37 37 VAL H H 1 8.95 0.02 . 1 . . . . 36 VAL H . 19408 1 96 . 1 1 37 37 VAL CA C 13 66.3 0.3 . 1 . . . . 36 VAL CA . 19408 1 97 . 1 1 37 37 VAL CB C 13 30.7 0.3 . 1 . . . . 36 VAL CB . 19408 1 98 . 1 1 37 37 VAL N N 15 120.9 0.3 . 1 . . . . 36 VAL N . 19408 1 99 . 1 1 38 38 ALA H H 1 8.64 0.02 . 1 . . . . 37 ALA H . 19408 1 100 . 1 1 38 38 ALA CA C 13 55.6 0.3 . 1 . . . . 37 ALA CA . 19408 1 101 . 1 1 38 38 ALA CB C 13 17.2 0.3 . 1 . . . . 37 ALA CB . 19408 1 102 . 1 1 38 38 ALA N N 15 122.2 0.3 . 1 . . . . 37 ALA N . 19408 1 103 . 1 1 39 39 GLN H H 1 7.74 0.02 . 1 . . . . 38 GLN H . 19408 1 104 . 1 1 39 39 GLN CA C 13 58.7 0.3 . 1 . . . . 38 GLN CA . 19408 1 105 . 1 1 39 39 GLN CB C 13 27.9 0.3 . 1 . . . . 38 GLN CB . 19408 1 106 . 1 1 39 39 GLN N N 15 117.7 0.3 . 1 . . . . 38 GLN N . 19408 1 107 . 1 1 40 40 LYS H H 1 8.19 0.02 . 1 . . . . 39 LYS H . 19408 1 108 . 1 1 40 40 LYS CA C 13 58.9 0.3 . 1 . . . . 39 LYS CA . 19408 1 109 . 1 1 40 40 LYS CB C 13 32.2 0.3 . 1 . . . . 39 LYS CB . 19408 1 110 . 1 1 40 40 LYS N N 15 120.8 0.3 . 1 . . . . 39 LYS N . 19408 1 111 . 1 1 41 41 THR H H 1 8.00 0.02 . 1 . . . . 40 THR H . 19408 1 112 . 1 1 41 41 THR CA C 13 62.7 0.3 . 1 . . . . 40 THR CA . 19408 1 113 . 1 1 41 41 THR CB C 13 70.2 0.3 . 1 . . . . 40 THR CB . 19408 1 114 . 1 1 41 41 THR N N 15 107.4 0.3 . 1 . . . . 40 THR N . 19408 1 115 . 1 1 42 42 GLY H H 1 7.60 0.02 . 1 . . . . 41 GLY H . 19408 1 116 . 1 1 42 42 GLY CA C 13 46.2 0.3 . 1 . . . . 41 GLY CA . 19408 1 117 . 1 1 42 42 GLY N N 15 110.4 0.3 . 1 . . . . 41 GLY N . 19408 1 118 . 1 1 43 43 VAL H H 1 7.43 0.02 . 1 . . . . 42 VAL H . 19408 1 119 . 1 1 43 43 VAL CA C 13 65.9 0.3 . 1 . . . . 42 VAL CA . 19408 1 120 . 1 1 43 43 VAL CB C 13 31.1 0.3 . 1 . . . . 42 VAL CB . 19408 1 121 . 1 1 43 43 VAL N N 15 120.5 0.3 . 1 . . . . 42 VAL N . 19408 1 122 . 1 1 44 44 SER H H 1 8.48 0.02 . 1 . . . . 43 SER H . 19408 1 123 . 1 1 44 44 SER CA C 13 61.9 0.3 . 1 . . . . 43 SER CA . 19408 1 124 . 1 1 44 44 SER N N 15 115.4 0.3 . 1 . . . . 43 SER N . 19408 1 125 . 1 1 45 45 ASN H H 1 7.76 0.02 . 1 . . . . 44 ASN H . 19408 1 126 . 1 1 45 45 ASN CA C 13 56.1 0.3 . 1 . . . . 44 ASN CA . 19408 1 127 . 1 1 45 45 ASN CB C 13 38.2 0.3 . 1 . . . . 44 ASN CB . 19408 1 128 . 1 1 45 45 ASN N N 15 120.4 0.3 . 1 . . . . 44 ASN N . 19408 1 129 . 1 1 46 46 THR H H 1 8.28 0.02 . 1 . . . . 45 THR H . 19408 1 130 . 1 1 46 46 THR CA C 13 66.7 0.3 . 1 . . . . 45 THR CA . 19408 1 131 . 1 1 46 46 THR CB C 13 68.4 0.3 . 1 . . . . 45 THR CB . 19408 1 132 . 1 1 46 46 THR N N 15 118.5 0.3 . 1 . . . . 45 THR N . 19408 1 133 . 1 1 47 47 LEU H H 1 8.10 0.02 . 1 . . . . 46 LEU H . 19408 1 134 . 1 1 47 47 LEU CA C 13 57.9 0.3 . 1 . . . . 46 LEU CA . 19408 1 135 . 1 1 47 47 LEU CB C 13 40.9 0.3 . 1 . . . . 46 LEU CB . 19408 1 136 . 1 1 47 47 LEU N N 15 122.3 0.3 . 1 . . . . 46 LEU N . 19408 1 137 . 1 1 48 48 GLU H H 1 8.13 0.02 . 1 . . . . 47 GLU H . 19408 1 138 . 1 1 48 48 GLU CA C 13 59.4 0.3 . 1 . . . . 47 GLU CA . 19408 1 139 . 1 1 48 48 GLU CB C 13 27.8 0.3 . 1 . . . . 47 GLU CB . 19408 1 140 . 1 1 48 48 GLU N N 15 119.8 0.3 . 1 . . . . 47 GLU N . 19408 1 141 . 1 1 49 49 ASN H H 1 8.19 0.02 . 1 . . . . 48 ASN H . 19408 1 142 . 1 1 49 49 ASN CA C 13 56.2 0.3 . 1 . . . . 48 ASN CA . 19408 1 143 . 1 1 49 49 ASN CB C 13 38.1 0.3 . 1 . . . . 48 ASN CB . 19408 1 144 . 1 1 49 49 ASN N N 15 117.0 0.3 . 1 . . . . 48 ASN N . 19408 1 145 . 1 1 50 50 GLU H H 1 8.52 0.02 . 1 . . . . 49 GLU H . 19408 1 146 . 1 1 50 50 GLU CA C 13 59.1 0.3 . 1 . . . . 49 GLU CA . 19408 1 147 . 1 1 50 50 GLU CB C 13 29.2 0.3 . 1 . . . . 49 GLU CB . 19408 1 148 . 1 1 50 50 GLU N N 15 122.7 0.3 . 1 . . . . 49 GLU N . 19408 1 149 . 1 1 51 51 PHE H H 1 7.65 0.02 . 1 . . . . 50 PHE H . 19408 1 150 . 1 1 51 51 PHE CA C 13 58.1 0.3 . 1 . . . . 50 PHE CA . 19408 1 151 . 1 1 51 51 PHE CB C 13 40.4 0.3 . 1 . . . . 50 PHE CB . 19408 1 152 . 1 1 51 51 PHE N N 15 120.5 0.3 . 1 . . . . 50 PHE N . 19408 1 153 . 1 1 52 52 LYS H H 1 8.21 0.02 . 1 . . . . 51 LYS H . 19408 1 154 . 1 1 52 52 LYS CA C 13 60.2 0.3 . 1 . . . . 51 LYS CA . 19408 1 155 . 1 1 52 52 LYS CB C 13 33.6 0.3 . 1 . . . . 51 LYS CB . 19408 1 156 . 1 1 52 52 LYS N N 15 120.1 0.3 . 1 . . . . 51 LYS N . 19408 1 157 . 1 1 53 53 GLY H H 1 8.16 0.02 . 1 . . . . 52 GLY H . 19408 1 158 . 1 1 53 53 GLY CA C 13 47.2 0.3 . 1 . . . . 52 GLY CA . 19408 1 159 . 1 1 53 53 GLY N N 15 105.9 0.3 . 1 . . . . 52 GLY N . 19408 1 160 . 1 1 54 54 ARG H H 1 8.19 0.02 . 1 . . . . 53 ARG H . 19408 1 161 . 1 1 54 54 ARG CA C 13 58.7 0.3 . 1 . . . . 53 ARG CA . 19408 1 162 . 1 1 54 54 ARG CB C 13 30.9 0.3 . 1 . . . . 53 ARG CB . 19408 1 163 . 1 1 54 54 ARG N N 15 123.8 0.3 . 1 . . . . 53 ARG N . 19408 1 164 . 1 1 55 55 ALA H H 1 8.81 0.02 . 1 . . . . 54 ALA H . 19408 1 165 . 1 1 55 55 ALA CA C 13 54.9 0.3 . 1 . . . . 54 ALA CA . 19408 1 166 . 1 1 55 55 ALA CB C 13 17.6 0.3 . 1 . . . . 54 ALA CB . 19408 1 167 . 1 1 55 55 ALA N N 15 123.7 0.3 . 1 . . . . 54 ALA N . 19408 1 168 . 1 1 56 56 SER H H 1 8.34 0.02 . 1 . . . . 55 SER H . 19408 1 169 . 1 1 56 56 SER CA C 13 61.5 0.3 . 1 . . . . 55 SER CA . 19408 1 170 . 1 1 56 56 SER CB C 13 63.4 0.3 . 1 . . . . 55 SER CB . 19408 1 171 . 1 1 56 56 SER N N 15 115.1 0.3 . 1 . . . . 55 SER N . 19408 1 172 . 1 1 57 57 GLU H H 1 7.75 0.02 . 1 . . . . 56 GLU H . 19408 1 173 . 1 1 57 57 GLU CA C 13 59.2 0.3 . 1 . . . . 56 GLU CA . 19408 1 174 . 1 1 57 57 GLU CB C 13 28.9 0.3 . 1 . . . . 56 GLU CB . 19408 1 175 . 1 1 57 57 GLU N N 15 123.1 0.3 . 1 . . . . 56 GLU N . 19408 1 176 . 1 1 58 58 LEU H H 1 7.94 0.02 . 1 . . . . 57 LEU H . 19408 1 177 . 1 1 58 58 LEU CA C 13 59.5 0.3 . 1 . . . . 57 LEU CA . 19408 1 178 . 1 1 58 58 LEU CB C 13 41.4 0.3 . 1 . . . . 57 LEU CB . 19408 1 179 . 1 1 58 58 LEU N N 15 122.3 0.3 . 1 . . . . 57 LEU N . 19408 1 180 . 1 1 59 59 GLN H H 1 8.22 0.02 . 1 . . . . 58 GLN H . 19408 1 181 . 1 1 59 59 GLN CA C 13 59.4 0.3 . 1 . . . . 58 GLN CA . 19408 1 182 . 1 1 59 59 GLN CB C 13 28.9 0.3 . 1 . . . . 58 GLN CB . 19408 1 183 . 1 1 59 59 GLN N N 15 119.9 0.3 . 1 . . . . 58 GLN N . 19408 1 184 . 1 1 60 60 ARG H H 1 7.89 0.02 . 1 . . . . 59 ARG H . 19408 1 185 . 1 1 60 60 ARG CA C 13 54.8 0.3 . 1 . . . . 59 ARG CA . 19408 1 186 . 1 1 60 60 ARG CB C 13 28.6 0.3 . 1 . . . . 59 ARG CB . 19408 1 187 . 1 1 60 60 ARG N N 15 123.6 0.3 . 1 . . . . 59 ARG N . 19408 1 188 . 1 1 62 62 GLU H H 1 8.49 0.02 . 1 . . . . 61 GLU H . 19408 1 189 . 1 1 62 62 GLU CA C 13 59.8 0.3 . 1 . . . . 61 GLU CA . 19408 1 190 . 1 1 62 62 GLU CB C 13 28.8 0.3 . 1 . . . . 61 GLU CB . 19408 1 191 . 1 1 62 62 GLU N N 15 121.5 0.3 . 1 . . . . 61 GLU N . 19408 1 192 . 1 1 63 63 THR H H 1 8.12 0.02 . 1 . . . . 62 THR H . 19408 1 193 . 1 1 63 63 THR CA C 13 66.3 0.3 . 1 . . . . 62 THR CA . 19408 1 194 . 1 1 63 63 THR CB C 13 68.5 0.3 . 1 . . . . 62 THR CB . 19408 1 195 . 1 1 63 63 THR N N 15 116.0 0.3 . 1 . . . . 62 THR N . 19408 1 196 . 1 1 64 64 ASP H H 1 8.02 0.02 . 1 . . . . 63 ASP H . 19408 1 197 . 1 1 64 64 ASP CA C 13 57.4 0.3 . 1 . . . . 63 ASP CA . 19408 1 198 . 1 1 64 64 ASP CB C 13 41.2 0.3 . 1 . . . . 63 ASP CB . 19408 1 199 . 1 1 64 64 ASP N N 15 124.1 0.3 . 1 . . . . 63 ASP N . 19408 1 200 . 1 1 65 65 LEU H H 1 8.54 0.02 . 1 . . . . 64 LEU H . 19408 1 201 . 1 1 65 65 LEU CA C 13 57.5 0.3 . 1 . . . . 64 LEU CA . 19408 1 202 . 1 1 65 65 LEU CB C 13 39.9 0.3 . 1 . . . . 64 LEU CB . 19408 1 203 . 1 1 65 65 LEU N N 15 122.2 0.3 . 1 . . . . 64 LEU N . 19408 1 204 . 1 1 66 66 GLN H H 1 8.52 0.02 . 1 . . . . 65 GLN H . 19408 1 205 . 1 1 66 66 GLN CA C 13 59.7 0.3 . 1 . . . . 65 GLN CA . 19408 1 206 . 1 1 66 66 GLN CB C 13 28.8 0.3 . 1 . . . . 65 GLN CB . 19408 1 207 . 1 1 66 66 GLN N N 15 121.5 0.3 . 1 . . . . 65 GLN N . 19408 1 208 . 1 1 67 67 ALA H H 1 9.06 0.02 . 1 . . . . 66 ALA H . 19408 1 209 . 1 1 67 67 ALA CA C 13 55.1 0.3 . 1 . . . . 66 ALA CA . 19408 1 210 . 1 1 67 67 ALA CB C 13 16.8 0.3 . 1 . . . . 66 ALA CB . 19408 1 211 . 1 1 67 67 ALA N N 15 125.4 0.3 . 1 . . . . 66 ALA N . 19408 1 212 . 1 1 68 68 LYS H H 1 8.55 0.02 . 1 . . . . 67 LYS H . 19408 1 213 . 1 1 68 68 LYS CA C 13 55.1 0.3 . 1 . . . . 67 LYS CA . 19408 1 214 . 1 1 68 68 LYS CB C 13 29.1 0.3 . 1 . . . . 67 LYS CB . 19408 1 215 . 1 1 68 68 LYS N N 15 125.3 0.3 . 1 . . . . 67 LYS N . 19408 1 216 . 1 1 69 69 MET H H 1 8.13 0.02 . 1 . . . . 68 MET H . 19408 1 217 . 1 1 69 69 MET CA C 13 59.8 0.3 . 1 . . . . 68 MET CA . 19408 1 218 . 1 1 69 69 MET CB C 13 32.3 0.3 . 1 . . . . 68 MET CB . 19408 1 219 . 1 1 69 69 MET N N 15 120.8 0.3 . 1 . . . . 68 MET N . 19408 1 220 . 1 1 70 70 LYS H H 1 8.49 0.02 . 1 . . . . 69 LYS H . 19408 1 221 . 1 1 70 70 LYS CA C 13 58.6 0.3 . 1 . . . . 69 LYS CA . 19408 1 222 . 1 1 70 70 LYS CB C 13 31.1 0.3 . 1 . . . . 69 LYS CB . 19408 1 223 . 1 1 70 70 LYS N N 15 118.6 0.3 . 1 . . . . 69 LYS N . 19408 1 224 . 1 1 71 71 LYS H H 1 7.89 0.02 . 1 . . . . 70 LYS H . 19408 1 225 . 1 1 71 71 LYS CA C 13 59.1 0.3 . 1 . . . . 70 LYS CA . 19408 1 226 . 1 1 71 71 LYS CB C 13 31.4 0.3 . 1 . . . . 70 LYS CB . 19408 1 227 . 1 1 71 71 LYS N N 15 120.3 0.3 . 1 . . . . 70 LYS N . 19408 1 228 . 1 1 72 72 LEU H H 1 8.26 0.02 . 1 . . . . 71 LEU H . 19408 1 229 . 1 1 72 72 LEU CA C 13 58.0 0.3 . 1 . . . . 71 LEU CA . 19408 1 230 . 1 1 72 72 LEU CB C 13 41.6 0.3 . 1 . . . . 71 LEU CB . 19408 1 231 . 1 1 72 72 LEU N N 15 120.4 0.3 . 1 . . . . 71 LEU N . 19408 1 232 . 1 1 73 73 GLN H H 1 7.63 0.02 . 1 . . . . 72 GLN H . 19408 1 233 . 1 1 73 73 GLN CA C 13 58.0 0.3 . 1 . . . . 72 GLN CA . 19408 1 234 . 1 1 73 73 GLN CB C 13 28.0 0.3 . 1 . . . . 72 GLN CB . 19408 1 235 . 1 1 73 73 GLN N N 15 115.4 0.3 . 1 . . . . 72 GLN N . 19408 1 236 . 1 1 74 74 SER H H 1 7.44 0.02 . 1 . . . . 73 SER H . 19408 1 237 . 1 1 74 74 SER CA C 13 58.1 0.3 . 1 . . . . 73 SER CA . 19408 1 238 . 1 1 74 74 SER CB C 13 64.3 0.3 . 1 . . . . 73 SER CB . 19408 1 239 . 1 1 74 74 SER N N 15 111.8 0.3 . 1 . . . . 73 SER N . 19408 1 240 . 1 1 75 75 MET H H 1 7.42 0.02 . 1 . . . . 74 MET H . 19408 1 241 . 1 1 75 75 MET CA C 13 56.0 0.3 . 1 . . . . 74 MET CA . 19408 1 242 . 1 1 75 75 MET CB C 13 34.4 0.3 . 1 . . . . 74 MET CB . 19408 1 243 . 1 1 75 75 MET N N 15 122.8 0.3 . 1 . . . . 74 MET N . 19408 1 244 . 1 1 76 76 LYS H H 1 8.49 0.02 . 1 . . . . 75 LYS H . 19408 1 245 . 1 1 76 76 LYS CA C 13 55.6 0.3 . 1 . . . . 75 LYS CA . 19408 1 246 . 1 1 76 76 LYS CB C 13 32.4 0.3 . 1 . . . . 75 LYS CB . 19408 1 247 . 1 1 76 76 LYS N N 15 124.7 0.3 . 1 . . . . 75 LYS N . 19408 1 248 . 1 1 77 77 ALA H H 1 8.25 0.02 . 1 . . . . 76 ALA H . 19408 1 249 . 1 1 77 77 ALA CA C 13 53.1 0.3 . 1 . . . . 76 ALA CA . 19408 1 250 . 1 1 77 77 ALA CB C 13 18.2 0.3 . 1 . . . . 76 ALA CB . 19408 1 251 . 1 1 77 77 ALA N N 15 123.4 0.3 . 1 . . . . 76 ALA N . 19408 1 252 . 1 1 78 78 GLY H H 1 8.33 0.02 . 1 . . . . 77 GLY H . 19408 1 253 . 1 1 78 78 GLY CA C 13 44.4 0.3 . 1 . . . . 77 GLY CA . 19408 1 254 . 1 1 78 78 GLY N N 15 109.6 0.3 . 1 . . . . 77 GLY N . 19408 1 255 . 1 1 79 79 SER H H 1 8.26 0.02 . 1 . . . . 78 SER H . 19408 1 256 . 1 1 79 79 SER N N 15 113.6 0.3 . 1 . . . . 78 SER N . 19408 1 257 . 1 1 81 81 ARG H H 1 7.86 0.02 . 1 . . . . 80 ARG H . 19408 1 258 . 1 1 81 81 ARG CA C 13 59.6 0.3 . 1 . . . . 80 ARG CA . 19408 1 259 . 1 1 81 81 ARG N N 15 121.2 0.3 . 1 . . . . 80 ARG N . 19408 1 260 . 1 1 82 82 THR H H 1 8.07 0.02 . 1 . . . . 81 THR H . 19408 1 261 . 1 1 82 82 THR CA C 13 67.0 0.3 . 1 . . . . 81 THR CA . 19408 1 262 . 1 1 82 82 THR CB C 13 68.6 0.3 . 1 . . . . 81 THR CB . 19408 1 263 . 1 1 82 82 THR N N 15 116.1 0.3 . 1 . . . . 81 THR N . 19408 1 264 . 1 1 83 83 LYS H H 1 8.35 0.02 . 1 . . . . 82 LYS H . 19408 1 265 . 1 1 83 83 LYS CA C 13 59.4 0.3 . 1 . . . . 82 LYS CA . 19408 1 266 . 1 1 83 83 LYS CB C 13 31.9 0.3 . 1 . . . . 82 LYS CB . 19408 1 267 . 1 1 83 83 LYS N N 15 121.3 0.3 . 1 . . . . 82 LYS N . 19408 1 268 . 1 1 84 84 LEU H H 1 7.79 0.02 . 1 . . . . 83 LEU H . 19408 1 269 . 1 1 84 84 LEU CA C 13 57.9 0.3 . 1 . . . . 83 LEU CA . 19408 1 270 . 1 1 84 84 LEU CB C 13 41.4 0.3 . 1 . . . . 83 LEU CB . 19408 1 271 . 1 1 84 84 LEU N N 15 120.6 0.3 . 1 . . . . 83 LEU N . 19408 1 272 . 1 1 85 85 GLU H H 1 8.02 0.02 . 1 . . . . 84 GLU H . 19408 1 273 . 1 1 85 85 GLU CA C 13 59.5 0.3 . 1 . . . . 84 GLU CA . 19408 1 274 . 1 1 85 85 GLU CB C 13 27.7 0.3 . 1 . . . . 84 GLU CB . 19408 1 275 . 1 1 85 85 GLU N N 15 120.0 0.3 . 1 . . . . 84 GLU N . 19408 1 276 . 1 1 86 86 LYS H H 1 7.66 0.02 . 1 . . . . 85 LYS H . 19408 1 277 . 1 1 86 86 LYS CA C 13 59.3 0.3 . 1 . . . . 85 LYS CA . 19408 1 278 . 1 1 86 86 LYS CB C 13 31.7 0.3 . 1 . . . . 85 LYS CB . 19408 1 279 . 1 1 86 86 LYS N N 15 121.7 0.3 . 1 . . . . 85 LYS N . 19408 1 280 . 1 1 87 87 ASP H H 1 7.94 0.02 . 1 . . . . 86 ASP H . 19408 1 281 . 1 1 87 87 ASP CA C 13 57.4 0.3 . 1 . . . . 86 ASP CA . 19408 1 282 . 1 1 87 87 ASP CB C 13 40.5 0.3 . 1 . . . . 86 ASP CB . 19408 1 283 . 1 1 87 87 ASP N N 15 122.4 0.3 . 1 . . . . 86 ASP N . 19408 1 284 . 1 1 88 88 VAL H H 1 8.85 0.02 . 1 . . . . 87 VAL H . 19408 1 285 . 1 1 88 88 VAL CA C 13 66.9 0.3 . 1 . . . . 87 VAL CA . 19408 1 286 . 1 1 88 88 VAL CB C 13 30.8 0.3 . 1 . . . . 87 VAL CB . 19408 1 287 . 1 1 88 88 VAL N N 15 120.7 0.3 . 1 . . . . 87 VAL N . 19408 1 288 . 1 1 89 89 MET H H 1 8.23 0.02 . 1 . . . . 88 MET H . 19408 1 289 . 1 1 89 89 MET CA C 13 58.7 0.3 . 1 . . . . 88 MET CA . 19408 1 290 . 1 1 89 89 MET CB C 13 30.8 0.3 . 1 . . . . 88 MET CB . 19408 1 291 . 1 1 89 89 MET N N 15 119.4 0.3 . 1 . . . . 88 MET N . 19408 1 292 . 1 1 90 90 ALA H H 1 7.84 0.02 . 1 . . . . 89 ALA H . 19408 1 293 . 1 1 90 90 ALA CA C 13 55.0 0.3 . 1 . . . . 89 ALA CA . 19408 1 294 . 1 1 90 90 ALA CB C 13 17.4 0.3 . 1 . . . . 89 ALA CB . 19408 1 295 . 1 1 90 90 ALA N N 15 122.7 0.3 . 1 . . . . 89 ALA N . 19408 1 296 . 1 1 91 91 GLN H H 1 7.82 0.02 . 1 . . . . 90 GLN H . 19408 1 297 . 1 1 91 91 GLN CA C 13 58.9 0.3 . 1 . . . . 90 GLN CA . 19408 1 298 . 1 1 91 91 GLN CB C 13 27.8 0.3 . 1 . . . . 90 GLN CB . 19408 1 299 . 1 1 91 91 GLN N N 15 117.5 0.3 . 1 . . . . 90 GLN N . 19408 1 300 . 1 1 92 92 ARG H H 1 8.04 0.02 . 1 . . . . 91 ARG H . 19408 1 301 . 1 1 92 92 ARG CA C 13 59.1 0.3 . 1 . . . . 91 ARG CA . 19408 1 302 . 1 1 92 92 ARG CB C 13 29.1 0.3 . 1 . . . . 91 ARG CB . 19408 1 303 . 1 1 92 92 ARG N N 15 120.9 0.3 . 1 . . . . 91 ARG N . 19408 1 304 . 1 1 93 93 GLN H H 1 7.68 0.02 . 1 . . . . 92 GLN H . 19408 1 305 . 1 1 93 93 GLN CA C 13 59.0 0.3 . 1 . . . . 92 GLN CA . 19408 1 306 . 1 1 93 93 GLN CB C 13 27.7 0.3 . 1 . . . . 92 GLN CB . 19408 1 307 . 1 1 93 93 GLN N N 15 120.0 0.3 . 1 . . . . 92 GLN N . 19408 1 308 . 1 1 94 94 THR H H 1 8.16 0.02 . 1 . . . . 93 THR H . 19408 1 309 . 1 1 94 94 THR CA C 13 66.7 0.3 . 1 . . . . 93 THR CA . 19408 1 310 . 1 1 94 94 THR CB C 13 68.3 0.3 . 1 . . . . 93 THR CB . 19408 1 311 . 1 1 94 94 THR N N 15 118.1 0.3 . 1 . . . . 93 THR N . 19408 1 312 . 1 1 95 95 PHE H H 1 8.72 0.02 . 1 . . . . 94 PHE H . 19408 1 313 . 1 1 95 95 PHE CA C 13 61.5 0.3 . 1 . . . . 94 PHE CA . 19408 1 314 . 1 1 95 95 PHE CB C 13 38.8 0.3 . 1 . . . . 94 PHE CB . 19408 1 315 . 1 1 95 95 PHE N N 15 123.0 0.3 . 1 . . . . 94 PHE N . 19408 1 316 . 1 1 96 96 ALA H H 1 8.23 0.02 . 1 . . . . 95 ALA H . 19408 1 317 . 1 1 96 96 ALA CA C 13 54.9 0.3 . 1 . . . . 95 ALA CA . 19408 1 318 . 1 1 96 96 ALA CB C 13 17.4 0.3 . 1 . . . . 95 ALA CB . 19408 1 319 . 1 1 96 96 ALA N N 15 120.8 0.3 . 1 . . . . 95 ALA N . 19408 1 320 . 1 1 97 97 GLN H H 1 8.60 0.02 . 1 . . . . 96 GLN H . 19408 1 321 . 1 1 97 97 GLN CA C 13 58.9 0.3 . 1 . . . . 96 GLN CA . 19408 1 322 . 1 1 97 97 GLN CB C 13 27.8 0.3 . 1 . . . . 96 GLN CB . 19408 1 323 . 1 1 97 97 GLN N N 15 120.6 0.3 . 1 . . . . 96 GLN N . 19408 1 324 . 1 1 98 98 LYS H H 1 9.07 0.02 . 1 . . . . 97 LYS H . 19408 1 325 . 1 1 98 98 LYS CA C 13 59.8 0.3 . 1 . . . . 97 LYS CA . 19408 1 326 . 1 1 98 98 LYS CB C 13 29.4 0.3 . 1 . . . . 97 LYS CB . 19408 1 327 . 1 1 98 98 LYS N N 15 121.5 0.3 . 1 . . . . 97 LYS N . 19408 1 328 . 1 1 99 99 ALA H H 1 7.81 0.02 . 1 . . . . 98 ALA H . 19408 1 329 . 1 1 99 99 ALA CA C 13 54.8 0.3 . 1 . . . . 98 ALA CA . 19408 1 330 . 1 1 99 99 ALA CB C 13 17.4 0.3 . 1 . . . . 98 ALA CB . 19408 1 331 . 1 1 99 99 ALA N N 15 122.5 0.3 . 1 . . . . 98 ALA N . 19408 1 332 . 1 1 100 100 GLN H H 1 8.03 0.02 . 1 . . . . 99 GLN H . 19408 1 333 . 1 1 100 100 GLN CA C 13 59.6 0.3 . 1 . . . . 99 GLN CA . 19408 1 334 . 1 1 100 100 GLN CB C 13 29.4 0.3 . 1 . . . . 99 GLN CB . 19408 1 335 . 1 1 100 100 GLN N N 15 120.1 0.3 . 1 . . . . 99 GLN N . 19408 1 336 . 1 1 101 101 ALA H H 1 7.84 0.02 . 1 . . . . 100 ALA H . 19408 1 337 . 1 1 101 101 ALA CA C 13 55.0 0.3 . 1 . . . . 100 ALA CA . 19408 1 338 . 1 1 101 101 ALA CB C 13 17.3 0.3 . 1 . . . . 100 ALA CB . 19408 1 339 . 1 1 101 101 ALA N N 15 122.6 0.3 . 1 . . . . 100 ALA N . 19408 1 340 . 1 1 102 102 PHE H H 1 7.99 0.02 . 1 . . . . 101 PHE H . 19408 1 341 . 1 1 102 102 PHE CA C 13 61.3 0.3 . 1 . . . . 101 PHE CA . 19408 1 342 . 1 1 102 102 PHE CB C 13 39.2 0.3 . 1 . . . . 101 PHE CB . 19408 1 343 . 1 1 102 102 PHE N N 15 119.3 0.3 . 1 . . . . 101 PHE N . 19408 1 344 . 1 1 103 103 GLU H H 1 8.11 0.02 . 1 . . . . 102 GLU H . 19408 1 345 . 1 1 103 103 GLU CA C 13 59.4 0.3 . 1 . . . . 102 GLU CA . 19408 1 346 . 1 1 103 103 GLU CB C 13 27.2 0.3 . 1 . . . . 102 GLU CB . 19408 1 347 . 1 1 103 103 GLU N N 15 120.2 0.3 . 1 . . . . 102 GLU N . 19408 1 348 . 1 1 104 104 GLN H H 1 7.78 0.02 . 1 . . . . 103 GLN H . 19408 1 349 . 1 1 104 104 GLN CA C 13 59.4 0.3 . 1 . . . . 103 GLN CA . 19408 1 350 . 1 1 104 104 GLN CB C 13 31.4 0.3 . 1 . . . . 103 GLN CB . 19408 1 351 . 1 1 104 104 GLN N N 15 119.0 0.3 . 1 . . . . 103 GLN N . 19408 1 352 . 1 1 105 105 ASP H H 1 7.69 0.02 . 1 . . . . 104 ASP H . 19408 1 353 . 1 1 105 105 ASP CA C 13 57.5 0.3 . 1 . . . . 104 ASP CA . 19408 1 354 . 1 1 105 105 ASP CB C 13 40.3 0.3 . 1 . . . . 104 ASP CB . 19408 1 355 . 1 1 105 105 ASP N N 15 121.5 0.3 . 1 . . . . 104 ASP N . 19408 1 356 . 1 1 106 106 ARG H H 1 8.96 0.02 . 1 . . . . 105 ARG H . 19408 1 357 . 1 1 106 106 ARG CA C 13 60.0 0.3 . 1 . . . . 105 ARG CA . 19408 1 358 . 1 1 106 106 ARG CB C 13 29.3 0.3 . 1 . . . . 105 ARG CB . 19408 1 359 . 1 1 106 106 ARG N N 15 120.5 0.3 . 1 . . . . 105 ARG N . 19408 1 360 . 1 1 107 107 ALA H H 1 8.70 0.02 . 1 . . . . 106 ALA H . 19408 1 361 . 1 1 107 107 ALA CA C 13 55.1 0.3 . 1 . . . . 106 ALA CA . 19408 1 362 . 1 1 107 107 ALA CB C 13 17.3 0.3 . 1 . . . . 106 ALA CB . 19408 1 363 . 1 1 107 107 ALA N N 15 122.2 0.3 . 1 . . . . 106 ALA N . 19408 1 364 . 1 1 108 108 ARG H H 1 7.80 0.02 . 1 . . . . 107 ARG H . 19408 1 365 . 1 1 108 108 ARG CA C 13 57.3 0.3 . 1 . . . . 107 ARG CA . 19408 1 366 . 1 1 108 108 ARG CB C 13 30.2 0.3 . 1 . . . . 107 ARG CB . 19408 1 367 . 1 1 108 108 ARG N N 15 121.8 0.3 . 1 . . . . 107 ARG N . 19408 1 368 . 1 1 109 109 ARG H H 1 8.64 0.02 . 1 . . . . 108 ARG H . 19408 1 369 . 1 1 109 109 ARG CA C 13 56.8 0.3 . 1 . . . . 108 ARG CA . 19408 1 370 . 1 1 109 109 ARG CB C 13 30.5 0.3 . 1 . . . . 108 ARG CB . 19408 1 371 . 1 1 109 109 ARG N N 15 119.2 0.3 . 1 . . . . 108 ARG N . 19408 1 372 . 1 1 110 110 SER H H 1 8.36 0.02 . 1 . . . . 109 SER H . 19408 1 373 . 1 1 110 110 SER CA C 13 62.3 0.3 . 1 . . . . 109 SER CA . 19408 1 374 . 1 1 110 110 SER CB C 13 64.9 0.3 . 1 . . . . 109 SER CB . 19408 1 375 . 1 1 110 110 SER N N 15 115.2 0.3 . 1 . . . . 109 SER N . 19408 1 376 . 1 1 111 111 ASN H H 1 8.17 0.02 . 1 . . . . 110 ASN H . 19408 1 377 . 1 1 111 111 ASN CA C 13 56.8 0.3 . 1 . . . . 110 ASN CA . 19408 1 378 . 1 1 111 111 ASN CB C 13 39.0 0.3 . 1 . . . . 110 ASN CB . 19408 1 379 . 1 1 111 111 ASN N N 15 118.8 0.3 . 1 . . . . 110 ASN N . 19408 1 380 . 1 1 112 112 GLU H H 1 8.25 0.02 . 1 . . . . 111 GLU H . 19408 1 381 . 1 1 112 112 GLU CA C 13 58.8 0.3 . 1 . . . . 111 GLU CA . 19408 1 382 . 1 1 112 112 GLU CB C 13 28.0 0.3 . 1 . . . . 111 GLU CB . 19408 1 383 . 1 1 112 112 GLU N N 15 119.3 0.3 . 1 . . . . 111 GLU N . 19408 1 384 . 1 1 113 113 GLU H H 1 8.26 0.02 . 1 . . . . 112 GLU H . 19408 1 385 . 1 1 113 113 GLU CA C 13 58.9 0.3 . 1 . . . . 112 GLU CA . 19408 1 386 . 1 1 113 113 GLU CB C 13 27.5 0.3 . 1 . . . . 112 GLU CB . 19408 1 387 . 1 1 113 113 GLU N N 15 118.3 0.3 . 1 . . . . 112 GLU N . 19408 1 388 . 1 1 114 114 ARG H H 1 7.66 0.02 . 1 . . . . 113 ARG H . 19408 1 389 . 1 1 114 114 ARG CA C 13 58.9 0.3 . 1 . . . . 113 ARG CA . 19408 1 390 . 1 1 114 114 ARG CB C 13 31.3 0.3 . 1 . . . . 113 ARG CB . 19408 1 391 . 1 1 114 114 ARG N N 15 121.3 0.3 . 1 . . . . 113 ARG N . 19408 1 392 . 1 1 115 115 GLY H H 1 8.41 0.02 . 1 . . . . 114 GLY H . 19408 1 393 . 1 1 115 115 GLY CA C 13 44.9 0.3 . 1 . . . . 114 GLY CA . 19408 1 394 . 1 1 115 115 GLY N N 15 110.3 0.3 . 1 . . . . 114 GLY N . 19408 1 395 . 1 1 116 116 LYS H H 1 7.92 0.02 . 1 . . . . 115 LYS H . 19408 1 396 . 1 1 116 116 LYS CA C 13 55.0 0.3 . 1 . . . . 115 LYS CA . 19408 1 397 . 1 1 116 116 LYS N N 15 115.8 0.3 . 1 . . . . 115 LYS N . 19408 1 398 . 1 1 117 117 LEU H H 1 8.09 0.02 . 1 . . . . 116 LEU H . 19408 1 399 . 1 1 117 117 LEU CA C 13 56.4 0.3 . 1 . . . . 116 LEU CA . 19408 1 400 . 1 1 117 117 LEU CB C 13 38.0 0.3 . 1 . . . . 116 LEU CB . 19408 1 401 . 1 1 117 117 LEU N N 15 120.5 0.3 . 1 . . . . 116 LEU N . 19408 1 402 . 1 1 118 118 VAL H H 1 8.22 0.02 . 1 . . . . 117 VAL H . 19408 1 403 . 1 1 118 118 VAL CA C 13 59.5 0.3 . 1 . . . . 117 VAL CA . 19408 1 404 . 1 1 118 118 VAL CB C 13 29.1 0.3 . 1 . . . . 117 VAL CB . 19408 1 405 . 1 1 118 118 VAL N N 15 124.8 0.3 . 1 . . . . 117 VAL N . 19408 1 406 . 1 1 119 119 THR H H 1 8.33 0.02 . 1 . . . . 118 THR H . 19408 1 407 . 1 1 119 119 THR CA C 13 66.5 0.3 . 1 . . . . 118 THR CA . 19408 1 408 . 1 1 119 119 THR CB C 13 68.9 0.3 . 1 . . . . 118 THR CB . 19408 1 409 . 1 1 119 119 THR N N 15 116.8 0.3 . 1 . . . . 118 THR N . 19408 1 410 . 1 1 120 120 ARG H H 1 7.80 0.02 . 1 . . . . 119 ARG H . 19408 1 411 . 1 1 120 120 ARG CA C 13 59.6 0.3 . 1 . . . . 119 ARG CA . 19408 1 412 . 1 1 120 120 ARG CB C 13 31.7 0.3 . 1 . . . . 119 ARG CB . 19408 1 413 . 1 1 120 120 ARG N N 15 121.2 0.3 . 1 . . . . 119 ARG N . 19408 1 414 . 1 1 121 121 ILE H H 1 8.38 0.02 . 1 . . . . 120 ILE H . 19408 1 415 . 1 1 121 121 ILE CA C 13 65.9 0.3 . 1 . . . . 120 ILE CA . 19408 1 416 . 1 1 121 121 ILE CB C 13 37.4 0.3 . 1 . . . . 120 ILE CB . 19408 1 417 . 1 1 121 121 ILE N N 15 121.0 0.3 . 1 . . . . 120 ILE N . 19408 1 418 . 1 1 122 122 GLN H H 1 9.08 0.02 . 1 . . . . 121 GLN H . 19408 1 419 . 1 1 122 122 GLN CA C 13 59.8 0.3 . 1 . . . . 121 GLN CA . 19408 1 420 . 1 1 122 122 GLN CB C 13 28.0 0.3 . 1 . . . . 121 GLN CB . 19408 1 421 . 1 1 122 122 GLN N N 15 120.5 0.3 . 1 . . . . 121 GLN N . 19408 1 422 . 1 1 123 123 THR H H 1 8.26 0.02 . 1 . . . . 122 THR H . 19408 1 423 . 1 1 123 123 THR CA C 13 66.7 0.3 . 1 . . . . 122 THR CA . 19408 1 424 . 1 1 123 123 THR CB C 13 68.9 0.3 . 1 . . . . 122 THR CB . 19408 1 425 . 1 1 123 123 THR N N 15 116.6 0.3 . 1 . . . . 122 THR N . 19408 1 426 . 1 1 124 124 ALA H H 1 7.35 0.02 . 1 . . . . 123 ALA H . 19408 1 427 . 1 1 124 124 ALA CA C 13 55.1 0.3 . 1 . . . . 123 ALA CA . 19408 1 428 . 1 1 124 124 ALA CB C 13 19.3 0.3 . 1 . . . . 123 ALA CB . 19408 1 429 . 1 1 124 124 ALA N N 15 126.2 0.3 . 1 . . . . 123 ALA N . 19408 1 430 . 1 1 125 125 VAL H H 1 8.61 0.02 . 1 . . . . 124 VAL H . 19408 1 431 . 1 1 125 125 VAL CA C 13 66.5 0.3 . 1 . . . . 124 VAL CA . 19408 1 432 . 1 1 125 125 VAL CB C 13 30.7 0.3 . 1 . . . . 124 VAL CB . 19408 1 433 . 1 1 125 125 VAL N N 15 119.2 0.3 . 1 . . . . 124 VAL N . 19408 1 434 . 1 1 126 126 LYS H H 1 7.72 0.02 . 1 . . . . 125 LYS H . 19408 1 435 . 1 1 126 126 LYS CA C 13 59.4 0.3 . 1 . . . . 125 LYS CA . 19408 1 436 . 1 1 126 126 LYS CB C 13 33.4 0.3 . 1 . . . . 125 LYS CB . 19408 1 437 . 1 1 126 126 LYS N N 15 119.0 0.3 . 1 . . . . 125 LYS N . 19408 1 438 . 1 1 127 127 SER H H 1 7.68 0.02 . 1 . . . . 126 SER H . 19408 1 439 . 1 1 127 127 SER CA C 13 59.3 0.3 . 1 . . . . 126 SER CA . 19408 1 440 . 1 1 127 127 SER CB C 13 61.0 0.3 . 1 . . . . 126 SER CB . 19408 1 441 . 1 1 127 127 SER N N 15 119.2 0.3 . 1 . . . . 126 SER N . 19408 1 442 . 1 1 128 128 VAL H H 1 7.93 0.02 . 1 . . . . 127 VAL H . 19408 1 443 . 1 1 128 128 VAL CA C 13 66.2 0.3 . 1 . . . . 127 VAL CA . 19408 1 444 . 1 1 128 128 VAL CB C 13 32.0 0.3 . 1 . . . . 127 VAL CB . 19408 1 445 . 1 1 128 128 VAL N N 15 122.2 0.3 . 1 . . . . 127 VAL N . 19408 1 446 . 1 1 129 129 ALA H H 1 8.60 0.02 . 1 . . . . 128 ALA H . 19408 1 447 . 1 1 129 129 ALA CA C 13 55.6 0.3 . 1 . . . . 128 ALA CA . 19408 1 448 . 1 1 129 129 ALA CB C 13 17.3 0.3 . 1 . . . . 128 ALA CB . 19408 1 449 . 1 1 129 129 ALA N N 15 122.1 0.3 . 1 . . . . 128 ALA N . 19408 1 450 . 1 1 130 130 ASN H H 1 8.49 0.02 . 1 . . . . 129 ASN H . 19408 1 451 . 1 1 130 130 ASN CA C 13 55.9 0.3 . 1 . . . . 129 ASN CA . 19408 1 452 . 1 1 130 130 ASN CB C 13 38.5 0.3 . 1 . . . . 129 ASN CB . 19408 1 453 . 1 1 130 130 ASN N N 15 115.0 0.3 . 1 . . . . 129 ASN N . 19408 1 454 . 1 1 131 131 SER H H 1 7.82 0.02 . 1 . . . . 130 SER H . 19408 1 455 . 1 1 131 131 SER CA C 13 61.2 0.3 . 1 . . . . 130 SER CA . 19408 1 456 . 1 1 131 131 SER CB C 13 62.9 0.3 . 1 . . . . 130 SER CB . 19408 1 457 . 1 1 131 131 SER N N 15 115.5 0.3 . 1 . . . . 130 SER N . 19408 1 458 . 1 1 132 132 GLN H H 1 7.55 0.02 . 1 . . . . 131 GLN H . 19408 1 459 . 1 1 132 132 GLN CA C 13 55.5 0.3 . 1 . . . . 131 GLN CA . 19408 1 460 . 1 1 132 132 GLN CB C 13 28.7 0.3 . 1 . . . . 131 GLN CB . 19408 1 461 . 1 1 132 132 GLN N N 15 118.4 0.3 . 1 . . . . 131 GLN N . 19408 1 462 . 1 1 133 133 ASP H H 1 7.70 0.02 . 1 . . . . 132 ASP H . 19408 1 463 . 1 1 133 133 ASP CA C 13 55.4 0.3 . 1 . . . . 132 ASP CA . 19408 1 464 . 1 1 133 133 ASP CB C 13 38.9 0.3 . 1 . . . . 132 ASP CB . 19408 1 465 . 1 1 133 133 ASP N N 15 119.5 0.3 . 1 . . . . 132 ASP N . 19408 1 466 . 1 1 134 134 ILE H H 1 8.15 0.02 . 1 . . . . 133 ILE H . 19408 1 467 . 1 1 134 134 ILE CA C 13 61.2 0.3 . 1 . . . . 133 ILE CA . 19408 1 468 . 1 1 134 134 ILE CB C 13 39.0 0.3 . 1 . . . . 133 ILE CB . 19408 1 469 . 1 1 134 134 ILE N N 15 118.5 0.3 . 1 . . . . 133 ILE N . 19408 1 470 . 1 1 135 135 ASP H H 1 8.43 0.02 . 1 . . . . 134 ASP H . 19408 1 471 . 1 1 135 135 ASP CA C 13 56.3 0.3 . 1 . . . . 134 ASP CA . 19408 1 472 . 1 1 135 135 ASP CB C 13 43.2 0.3 . 1 . . . . 134 ASP CB . 19408 1 473 . 1 1 135 135 ASP N N 15 125.1 0.3 . 1 . . . . 134 ASP N . 19408 1 474 . 1 1 136 136 LEU H H 1 7.60 0.02 . 1 . . . . 135 LEU H . 19408 1 475 . 1 1 136 136 LEU CA C 13 54.0 0.3 . 1 . . . . 135 LEU CA . 19408 1 476 . 1 1 136 136 LEU CB C 13 45.6 0.3 . 1 . . . . 135 LEU CB . 19408 1 477 . 1 1 136 136 LEU N N 15 120.2 0.3 . 1 . . . . 135 LEU N . 19408 1 478 . 1 1 137 137 VAL H H 1 9.00 0.02 . 1 . . . . 136 VAL H . 19408 1 479 . 1 1 137 137 VAL CA C 13 59.6 0.3 . 1 . . . . 136 VAL CA . 19408 1 480 . 1 1 137 137 VAL CB C 13 31.8 0.3 . 1 . . . . 136 VAL CB . 19408 1 481 . 1 1 137 137 VAL N N 15 125.3 0.3 . 1 . . . . 136 VAL N . 19408 1 482 . 1 1 138 138 VAL H H 1 9.08 0.02 . 1 . . . . 137 VAL H . 19408 1 483 . 1 1 138 138 VAL CA C 13 60.2 0.3 . 1 . . . . 137 VAL CA . 19408 1 484 . 1 1 138 138 VAL CB C 13 33.6 0.3 . 1 . . . . 137 VAL CB . 19408 1 485 . 1 1 138 138 VAL N N 15 127.5 0.3 . 1 . . . . 137 VAL N . 19408 1 486 . 1 1 139 139 ASP H H 1 8.62 0.02 . 1 . . . . 138 ASP H . 19408 1 487 . 1 1 139 139 ASP CA C 13 54.3 0.3 . 1 . . . . 138 ASP CA . 19408 1 488 . 1 1 139 139 ASP CB C 13 42.2 0.3 . 1 . . . . 138 ASP CB . 19408 1 489 . 1 1 139 139 ASP N N 15 125.1 0.3 . 1 . . . . 138 ASP N . 19408 1 490 . 1 1 140 140 ALA H H 1 8.84 0.02 . 1 . . . . 139 ALA H . 19408 1 491 . 1 1 140 140 ALA CA C 13 54.4 0.3 . 1 . . . . 139 ALA CA . 19408 1 492 . 1 1 140 140 ALA CB C 13 18.3 0.3 . 1 . . . . 139 ALA CB . 19408 1 493 . 1 1 140 140 ALA N N 15 129.5 0.3 . 1 . . . . 139 ALA N . 19408 1 494 . 1 1 141 141 ASN H H 1 8.84 0.02 . 1 . . . . 140 ASN H . 19408 1 495 . 1 1 141 141 ASN CA C 13 55.5 0.3 . 1 . . . . 140 ASN CA . 19408 1 496 . 1 1 141 141 ASN CB C 13 38.1 0.3 . 1 . . . . 140 ASN CB . 19408 1 497 . 1 1 141 141 ASN N N 15 116.0 0.3 . 1 . . . . 140 ASN N . 19408 1 498 . 1 1 142 142 ALA H H 1 8.18 0.02 . 1 . . . . 141 ALA H . 19408 1 499 . 1 1 142 142 ALA CA C 13 51.7 0.3 . 1 . . . . 141 ALA CA . 19408 1 500 . 1 1 142 142 ALA CB C 13 18.6 0.3 . 1 . . . . 141 ALA CB . 19408 1 501 . 1 1 142 142 ALA N N 15 120.3 0.3 . 1 . . . . 141 ALA N . 19408 1 502 . 1 1 143 143 VAL H H 1 7.53 0.02 . 1 . . . . 142 VAL H . 19408 1 503 . 1 1 143 143 VAL CA C 13 62.2 0.3 . 1 . . . . 142 VAL CA . 19408 1 504 . 1 1 143 143 VAL CB C 13 32.9 0.3 . 1 . . . . 142 VAL CB . 19408 1 505 . 1 1 143 143 VAL N N 15 119.6 0.3 . 1 . . . . 142 VAL N . 19408 1 506 . 1 1 144 144 ALA H H 1 8.67 0.02 . 1 . . . . 143 ALA H . 19408 1 507 . 1 1 144 144 ALA CA C 13 52.3 0.3 . 1 . . . . 143 ALA CA . 19408 1 508 . 1 1 144 144 ALA CB C 13 20.3 0.3 . 1 . . . . 143 ALA CB . 19408 1 509 . 1 1 144 144 ALA N N 15 129.3 0.3 . 1 . . . . 143 ALA N . 19408 1 510 . 1 1 145 145 TYR H H 1 7.60 0.02 . 1 . . . . 144 TYR H . 19408 1 511 . 1 1 145 145 TYR CA C 13 58.9 0.3 . 1 . . . . 144 TYR CA . 19408 1 512 . 1 1 145 145 TYR CB C 13 41.2 0.3 . 1 . . . . 144 TYR CB . 19408 1 513 . 1 1 145 145 TYR N N 15 116.7 0.3 . 1 . . . . 144 TYR N . 19408 1 514 . 1 1 146 146 ASN H H 1 6.88 0.02 . 1 . . . . 145 ASN H . 19408 1 515 . 1 1 146 146 ASN CA C 13 52.0 0.3 . 1 . . . . 145 ASN CA . 19408 1 516 . 1 1 146 146 ASN CB C 13 40.8 0.3 . 1 . . . . 145 ASN CB . 19408 1 517 . 1 1 146 146 ASN N N 15 123.6 0.3 . 1 . . . . 145 ASN N . 19408 1 518 . 1 1 147 147 SER H H 1 8.86 0.02 . 1 . . . . 146 SER H . 19408 1 519 . 1 1 147 147 SER CA C 13 56.7 0.3 . 1 . . . . 146 SER CA . 19408 1 520 . 1 1 147 147 SER CB C 13 64.8 0.3 . 1 . . . . 146 SER CB . 19408 1 521 . 1 1 147 147 SER N N 15 119.2 0.3 . 1 . . . . 146 SER N . 19408 1 522 . 1 1 148 148 SER H H 1 8.63 0.02 . 1 . . . . 147 SER H . 19408 1 523 . 1 1 148 148 SER CA C 13 60.3 0.3 . 1 . . . . 147 SER CA . 19408 1 524 . 1 1 148 148 SER CB C 13 62.6 0.3 . 1 . . . . 147 SER CB . 19408 1 525 . 1 1 148 148 SER N N 15 114.2 0.3 . 1 . . . . 147 SER N . 19408 1 526 . 1 1 149 149 ASP H H 1 7.82 0.02 . 1 . . . . 148 ASP H . 19408 1 527 . 1 1 149 149 ASP CA C 13 55.5 0.3 . 1 . . . . 148 ASP CA . 19408 1 528 . 1 1 149 149 ASP CB C 13 39.7 0.3 . 1 . . . . 148 ASP CB . 19408 1 529 . 1 1 149 149 ASP N N 15 119.7 0.3 . 1 . . . . 148 ASP N . 19408 1 530 . 1 1 150 150 VAL H H 1 7.42 0.02 . 1 . . . . 149 VAL H . 19408 1 531 . 1 1 150 150 VAL CA C 13 61.4 0.3 . 1 . . . . 149 VAL CA . 19408 1 532 . 1 1 150 150 VAL CB C 13 31.4 0.3 . 1 . . . . 149 VAL CB . 19408 1 533 . 1 1 150 150 VAL N N 15 122.6 0.3 . 1 . . . . 149 VAL N . 19408 1 534 . 1 1 151 151 LYS H H 1 8.93 0.02 . 1 . . . . 150 LYS H . 19408 1 535 . 1 1 151 151 LYS CA C 13 56.7 0.3 . 1 . . . . 150 LYS CA . 19408 1 536 . 1 1 151 151 LYS CB C 13 32.6 0.3 . 1 . . . . 150 LYS CB . 19408 1 537 . 1 1 151 151 LYS N N 15 127.7 0.3 . 1 . . . . 150 LYS N . 19408 1 538 . 1 1 152 152 ASP H H 1 8.23 0.02 . 1 . . . . 151 ASP H . 19408 1 539 . 1 1 152 152 ASP CA C 13 52.3 0.3 . 1 . . . . 151 ASP CA . 19408 1 540 . 1 1 152 152 ASP CB C 13 40.8 0.3 . 1 . . . . 151 ASP CB . 19408 1 541 . 1 1 152 152 ASP N N 15 121.5 0.3 . 1 . . . . 151 ASP N . 19408 1 542 . 1 1 153 153 ILE H H 1 8.66 0.02 . 1 . . . . 152 ILE H . 19408 1 543 . 1 1 153 153 ILE CA C 13 61.4 0.3 . 1 . . . . 152 ILE CA . 19408 1 544 . 1 1 153 153 ILE CB C 13 37.3 0.3 . 1 . . . . 152 ILE CB . 19408 1 545 . 1 1 153 153 ILE N N 15 118.4 0.3 . 1 . . . . 152 ILE N . 19408 1 546 . 1 1 154 154 THR H H 1 8.86 0.02 . 1 . . . . 153 THR H . 19408 1 547 . 1 1 154 154 THR CA C 13 69.6 0.3 . 1 . . . . 153 THR CA . 19408 1 548 . 1 1 154 154 THR CB C 13 72.0 0.3 . 1 . . . . 153 THR CB . 19408 1 549 . 1 1 154 154 THR N N 15 121.6 0.3 . 1 . . . . 153 THR N . 19408 1 550 . 1 1 155 155 ALA H H 1 8.71 0.02 . 1 . . . . 154 ALA H . 19408 1 551 . 1 1 155 155 ALA CA C 13 55.2 0.3 . 1 . . . . 154 ALA CA . 19408 1 552 . 1 1 155 155 ALA CB C 13 17.2 0.3 . 1 . . . . 154 ALA CB . 19408 1 553 . 1 1 155 155 ALA N N 15 121.8 0.3 . 1 . . . . 154 ALA N . 19408 1 554 . 1 1 156 156 ASP H H 1 7.69 0.02 . 1 . . . . 155 ASP H . 19408 1 555 . 1 1 156 156 ASP CA C 13 57.0 0.3 . 1 . . . . 155 ASP CA . 19408 1 556 . 1 1 156 156 ASP CB C 13 40.5 0.3 . 1 . . . . 155 ASP CB . 19408 1 557 . 1 1 156 156 ASP N N 15 118.8 0.3 . 1 . . . . 155 ASP N . 19408 1 558 . 1 1 157 157 VAL H H 1 8.37 0.02 . 1 . . . . 156 VAL H . 19408 1 559 . 1 1 157 157 VAL CA C 13 66.3 0.3 . 1 . . . . 156 VAL CA . 19408 1 560 . 1 1 157 157 VAL CB C 13 30.2 0.3 . 1 . . . . 156 VAL CB . 19408 1 561 . 1 1 157 157 VAL N N 15 120.5 0.3 . 1 . . . . 156 VAL N . 19408 1 562 . 1 1 158 158 LEU H H 1 8.09 0.02 . 1 . . . . 157 LEU H . 19408 1 563 . 1 1 158 158 LEU CA C 13 57.9 0.3 . 1 . . . . 157 LEU CA . 19408 1 564 . 1 1 158 158 LEU CB C 13 40.6 0.3 . 1 . . . . 157 LEU CB . 19408 1 565 . 1 1 158 158 LEU N N 15 120.2 0.3 . 1 . . . . 157 LEU N . 19408 1 566 . 1 1 159 159 LYS H H 1 7.18 0.02 . 1 . . . . 158 LYS H . 19408 1 567 . 1 1 159 159 LYS CA C 13 58.2 0.3 . 1 . . . . 158 LYS CA . 19408 1 568 . 1 1 159 159 LYS CB C 13 32.1 0.3 . 1 . . . . 158 LYS CB . 19408 1 569 . 1 1 159 159 LYS N N 15 115.3 0.3 . 1 . . . . 158 LYS N . 19408 1 570 . 1 1 160 160 GLN H H 1 7.49 0.02 . 1 . . . . 159 GLN H . 19408 1 571 . 1 1 160 160 GLN CA C 13 55.1 0.3 . 1 . . . . 159 GLN CA . 19408 1 572 . 1 1 160 160 GLN CB C 13 28.6 0.3 . 1 . . . . 159 GLN CB . 19408 1 573 . 1 1 160 160 GLN N N 15 115.7 0.3 . 1 . . . . 159 GLN N . 19408 1 574 . 1 1 161 161 VAL H H 1 7.31 0.02 . 1 . . . . 160 VAL H . 19408 1 575 . 1 1 161 161 VAL CA C 13 63.6 0.3 . 1 . . . . 160 VAL CA . 19408 1 576 . 1 1 161 161 VAL CB C 13 30.8 0.3 . 1 . . . . 160 VAL CB . 19408 1 577 . 1 1 161 161 VAL N N 15 121.3 0.3 . 1 . . . . 160 VAL N . 19408 1 578 . 1 1 162 162 LYS H H 1 7.89 0.02 . 1 . . . . 161 LYS H . 19408 1 579 . 1 1 162 162 LYS CA C 13 57.2 0.3 . 1 . . . . 161 LYS CA . 19408 1 580 . 1 1 162 162 LYS CB C 13 33.4 0.3 . 1 . . . . 161 LYS CB . 19408 1 581 . 1 1 162 162 LYS N N 15 132.9 0.3 . 1 . . . . 161 LYS N . 19408 1 stop_ save_