data_26028 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26028 _Entry.Title ; Chemical shift assignment of residues 1-147 of M. tuberculosis protein kinase G (PknG) including the natively disordered N-terminus and the reduced, metal bound rubredoxin-like domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-04-10 _Entry.Accession_date 2016-04-14 _Entry.Last_release_date 2016-10-14 _Entry.Original_release_date 2016-10-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.99 _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.ORCID _Entry_author.Entry_ID 1 Matthias Wittwer . . . . 26028 2 Sonja Dames . A. . . 26028 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' 'Technical University of Munich, Department of Chemistry, Biomolecular NMR' . 26028 2 'not applicable' 'Institute of Structural Biology, Helmholtz Zentrum Munich' . 26028 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26028 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 394 26028 '15N chemical shifts' 115 26028 '1H chemical shifts' 124 26028 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 . . 2016-10-14 . original BMRB . 26028 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26027 ; Chemical shift assignment of the natively disordered N-terminus (= NORS, residues 1-75) of M. tuberculosis protein kinase G (PknG) ; 26028 BMRB 26029 ; Chemical shift assignment of the oxidized, unfolded rubredoxin-like domain (= RD, residues 74-147) of M. tuberculosis protein kinase G (PknG) ; 26028 BMRB 26030 ; Chemical shift assignment of the reduced, metal bound rubredoxin-like domain (= RD, residues 74-147) of M. tuberculosis protein kinase G (PknG) ; 26028 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26028 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27632081 _Citation.Full_citation . _Citation.Title ; Chemical shift assignment of the intrinsically disordered N-terminus and the rubredoxin domain in the folded metal bound and unfolded oxidized state of mycobacterial protein kinase G ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 2 _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 401 _Citation.Page_last 406 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Matthias Wittwer . . . . 26028 1 2 Sonja Dames . A. . . 26028 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Mycobacterium tuberculosis' 26028 1 'natively disordered protein' 26028 1 'protein kinase G' 26028 1 'redox-sensitive metal binding motif' 26028 1 rubredoxin 26028 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26028 _Assembly.ID 1 _Assembly.Name 'Protein kinase G (PknG) 1-147 natively disordered region + rubredoxin domain reduced, metal bound form' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 2.7.11.1 _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 'NORS & rubredoxin-domain (RD)' 1 $His-PknG_1-147 A . yes native no no . 'Regulatory N-terminal regions of a ser/thr kinase' . 26028 1 2 ZN 2 $entity_ZN B . no native no no . . . 26028 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 'metal coordination' single . 1 'NORS & rubredoxin-domain (RD)' 1 CYS 126 126 SG . 2 ZN 2 ZN 1 1 ZN . . 126 CYS . . . 1 ZN . 26028 1 2 'metal coordination' single . 1 'NORS & rubredoxin-domain (RD)' 1 CYS 129 129 SG . 2 ZN 2 ZN 1 1 ZN . . 129 CYS . . . 1 ZN . 26028 1 3 'metal coordination' single . 1 'NORS & rubredoxin-domain (RD)' 1 CYS 148 148 SG . 2 ZN 2 ZN 1 1 ZN . . 148 CYS . . . 1 ZN . 26028 1 4 'metal coordination' single . 1 'NORS & rubredoxin-domain (RD)' 1 CYS 151 151 SG . 2 ZN 2 ZN 1 1 ZN . . 151 CYS . . . 1 ZN . 26028 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2PZI . . X-ray 2.7 . 'Crystal structure of PknG 73-750 in complex with the inhibitor AX20017' 26028 1 yes PDB 4Y0X . . X-ray 1.74 . 'Crystal structure of PknG 64-405 in complex with ADP' 26028 1 yes PDB 4Y12 . . X-ray 1.9 . 'Crystal structure of PknG 64-405 in complex with AGS' 26028 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID ; The eukaryotic like serine /threonine protein kinase G promotes cellular survival of pathogenic mycobacteria by inhibiting phagosome-lysosome fusion within host macophages. ; 26028 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_His-PknG_1-147 _Entity.Sf_category entity _Entity.Sf_framecode His-PknG_1-147 _Entity.Entry_ID 26028 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name His-PknG_1-147 _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 MAKASETERSGPGTQPADAQ TATSATVRPLSTQAVFRPDF GDEDNFPHPTLGPDTEPQDR MATTSRVRPPVRRLGGGLVE IPRAPDIDPLEALMTNPVVP ESKRFCWNCGRPVGRSDSET KGASEGWCPYCGSPYSFLPQ LNPGDIV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '21, M = the first aminoacid of the protein sequence' _Entity.Polymer_author_seq_details 'Residue 1-20 represents a non native poly histidine tag' _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 167 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'His-PknG 1-147' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18001.98 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'His-PknG 1-147 contains the NORS region & rubredoxin motif of mycobacterial protein kinase G' _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 . 26028 1 2 2 GLY . 26028 1 3 3 SER . 26028 1 4 4 SER . 26028 1 5 5 HIS . 26028 1 6 6 HIS . 26028 1 7 7 HIS . 26028 1 8 8 HIS . 26028 1 9 9 HIS . 26028 1 10 10 HIS . 26028 1 11 11 SER . 26028 1 12 12 SER . 26028 1 13 13 GLY . 26028 1 14 14 LEU . 26028 1 15 15 VAL . 26028 1 16 16 PRO . 26028 1 17 17 ARG . 26028 1 18 18 GLY . 26028 1 19 19 SER . 26028 1 20 20 HIS . 26028 1 21 21 MET . 26028 1 22 22 ALA . 26028 1 23 23 LYS . 26028 1 24 24 ALA . 26028 1 25 25 SER . 26028 1 26 26 GLU . 26028 1 27 27 THR . 26028 1 28 28 GLU . 26028 1 29 29 ARG . 26028 1 30 30 SER . 26028 1 31 31 GLY . 26028 1 32 32 PRO . 26028 1 33 33 GLY . 26028 1 34 34 THR . 26028 1 35 35 GLN . 26028 1 36 36 PRO . 26028 1 37 37 ALA . 26028 1 38 38 ASP . 26028 1 39 39 ALA . 26028 1 40 40 GLN . 26028 1 41 41 THR . 26028 1 42 42 ALA . 26028 1 43 43 THR . 26028 1 44 44 SER . 26028 1 45 45 ALA . 26028 1 46 46 THR . 26028 1 47 47 VAL . 26028 1 48 48 ARG . 26028 1 49 49 PRO . 26028 1 50 50 LEU . 26028 1 51 51 SER . 26028 1 52 52 THR . 26028 1 53 53 GLN . 26028 1 54 54 ALA . 26028 1 55 55 VAL . 26028 1 56 56 PHE . 26028 1 57 57 ARG . 26028 1 58 58 PRO . 26028 1 59 59 ASP . 26028 1 60 60 PHE . 26028 1 61 61 GLY . 26028 1 62 62 ASP . 26028 1 63 63 GLU . 26028 1 64 64 ASP . 26028 1 65 65 ASN . 26028 1 66 66 PHE . 26028 1 67 67 PRO . 26028 1 68 68 HIS . 26028 1 69 69 PRO . 26028 1 70 70 THR . 26028 1 71 71 LEU . 26028 1 72 72 GLY . 26028 1 73 73 PRO . 26028 1 74 74 ASP . 26028 1 75 75 THR . 26028 1 76 76 GLU . 26028 1 77 77 PRO . 26028 1 78 78 GLN . 26028 1 79 79 ASP . 26028 1 80 80 ARG . 26028 1 81 81 MET . 26028 1 82 82 ALA . 26028 1 83 83 THR . 26028 1 84 84 THR . 26028 1 85 85 SER . 26028 1 86 86 ARG . 26028 1 87 87 VAL . 26028 1 88 88 ARG . 26028 1 89 89 PRO . 26028 1 90 90 PRO . 26028 1 91 91 VAL . 26028 1 92 92 ARG . 26028 1 93 93 ARG . 26028 1 94 94 LEU . 26028 1 95 95 GLY . 26028 1 96 96 GLY . 26028 1 97 97 GLY . 26028 1 98 98 LEU . 26028 1 99 99 VAL . 26028 1 100 100 GLU . 26028 1 101 101 ILE . 26028 1 102 102 PRO . 26028 1 103 103 ARG . 26028 1 104 104 ALA . 26028 1 105 105 PRO . 26028 1 106 106 ASP . 26028 1 107 107 ILE . 26028 1 108 108 ASP . 26028 1 109 109 PRO . 26028 1 110 110 LEU . 26028 1 111 111 GLU . 26028 1 112 112 ALA . 26028 1 113 113 LEU . 26028 1 114 114 MET . 26028 1 115 115 THR . 26028 1 116 116 ASN . 26028 1 117 117 PRO . 26028 1 118 118 VAL . 26028 1 119 119 VAL . 26028 1 120 120 PRO . 26028 1 121 121 GLU . 26028 1 122 122 SER . 26028 1 123 123 LYS . 26028 1 124 124 ARG . 26028 1 125 125 PHE . 26028 1 126 126 CYS . 26028 1 127 127 TRP . 26028 1 128 128 ASN . 26028 1 129 129 CYS . 26028 1 130 130 GLY . 26028 1 131 131 ARG . 26028 1 132 132 PRO . 26028 1 133 133 VAL . 26028 1 134 134 GLY . 26028 1 135 135 ARG . 26028 1 136 136 SER . 26028 1 137 137 ASP . 26028 1 138 138 SER . 26028 1 139 139 GLU . 26028 1 140 140 THR . 26028 1 141 141 LYS . 26028 1 142 142 GLY . 26028 1 143 143 ALA . 26028 1 144 144 SER . 26028 1 145 145 GLU . 26028 1 146 146 GLY . 26028 1 147 147 TRP . 26028 1 148 148 CYS . 26028 1 149 149 PRO . 26028 1 150 150 TYR . 26028 1 151 151 CYS . 26028 1 152 152 GLY . 26028 1 153 153 SER . 26028 1 154 154 PRO . 26028 1 155 155 TYR . 26028 1 156 156 SER . 26028 1 157 157 PHE . 26028 1 158 158 LEU . 26028 1 159 159 PRO . 26028 1 160 160 GLN . 26028 1 161 161 LEU . 26028 1 162 162 ASN . 26028 1 163 163 PRO . 26028 1 164 164 GLY . 26028 1 165 165 ASP . 26028 1 166 166 ILE . 26028 1 167 167 VAL . 26028 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 26028 1 . GLY 2 2 26028 1 . SER 3 3 26028 1 . SER 4 4 26028 1 . HIS 5 5 26028 1 . HIS 6 6 26028 1 . HIS 7 7 26028 1 . HIS 8 8 26028 1 . HIS 9 9 26028 1 . HIS 10 10 26028 1 . SER 11 11 26028 1 . SER 12 12 26028 1 . GLY 13 13 26028 1 . LEU 14 14 26028 1 . VAL 15 15 26028 1 . PRO 16 16 26028 1 . ARG 17 17 26028 1 . GLY 18 18 26028 1 . SER 19 19 26028 1 . HIS 20 20 26028 1 . MET 21 21 26028 1 . ALA 22 22 26028 1 . LYS 23 23 26028 1 . ALA 24 24 26028 1 . SER 25 25 26028 1 . GLU 26 26 26028 1 . THR 27 27 26028 1 . GLU 28 28 26028 1 . ARG 29 29 26028 1 . SER 30 30 26028 1 . GLY 31 31 26028 1 . PRO 32 32 26028 1 . GLY 33 33 26028 1 . THR 34 34 26028 1 . GLN 35 35 26028 1 . PRO 36 36 26028 1 . ALA 37 37 26028 1 . ASP 38 38 26028 1 . ALA 39 39 26028 1 . GLN 40 40 26028 1 . THR 41 41 26028 1 . ALA 42 42 26028 1 . THR 43 43 26028 1 . SER 44 44 26028 1 . ALA 45 45 26028 1 . THR 46 46 26028 1 . VAL 47 47 26028 1 . ARG 48 48 26028 1 . PRO 49 49 26028 1 . LEU 50 50 26028 1 . SER 51 51 26028 1 . THR 52 52 26028 1 . GLN 53 53 26028 1 . ALA 54 54 26028 1 . VAL 55 55 26028 1 . PHE 56 56 26028 1 . ARG 57 57 26028 1 . PRO 58 58 26028 1 . ASP 59 59 26028 1 . PHE 60 60 26028 1 . GLY 61 61 26028 1 . ASP 62 62 26028 1 . GLU 63 63 26028 1 . ASP 64 64 26028 1 . ASN 65 65 26028 1 . PHE 66 66 26028 1 . PRO 67 67 26028 1 . HIS 68 68 26028 1 . PRO 69 69 26028 1 . THR 70 70 26028 1 . LEU 71 71 26028 1 . GLY 72 72 26028 1 . PRO 73 73 26028 1 . ASP 74 74 26028 1 . THR 75 75 26028 1 . GLU 76 76 26028 1 . PRO 77 77 26028 1 . GLN 78 78 26028 1 . ASP 79 79 26028 1 . ARG 80 80 26028 1 . MET 81 81 26028 1 . ALA 82 82 26028 1 . THR 83 83 26028 1 . THR 84 84 26028 1 . SER 85 85 26028 1 . ARG 86 86 26028 1 . VAL 87 87 26028 1 . ARG 88 88 26028 1 . PRO 89 89 26028 1 . PRO 90 90 26028 1 . VAL 91 91 26028 1 . ARG 92 92 26028 1 . ARG 93 93 26028 1 . LEU 94 94 26028 1 . GLY 95 95 26028 1 . GLY 96 96 26028 1 . GLY 97 97 26028 1 . LEU 98 98 26028 1 . VAL 99 99 26028 1 . GLU 100 100 26028 1 . ILE 101 101 26028 1 . PRO 102 102 26028 1 . ARG 103 103 26028 1 . ALA 104 104 26028 1 . PRO 105 105 26028 1 . ASP 106 106 26028 1 . ILE 107 107 26028 1 . ASP 108 108 26028 1 . PRO 109 109 26028 1 . LEU 110 110 26028 1 . GLU 111 111 26028 1 . ALA 112 112 26028 1 . LEU 113 113 26028 1 . MET 114 114 26028 1 . THR 115 115 26028 1 . ASN 116 116 26028 1 . PRO 117 117 26028 1 . VAL 118 118 26028 1 . VAL 119 119 26028 1 . PRO 120 120 26028 1 . GLU 121 121 26028 1 . SER 122 122 26028 1 . LYS 123 123 26028 1 . ARG 124 124 26028 1 . PHE 125 125 26028 1 . CYS 126 126 26028 1 . TRP 127 127 26028 1 . ASN 128 128 26028 1 . CYS 129 129 26028 1 . GLY 130 130 26028 1 . ARG 131 131 26028 1 . PRO 132 132 26028 1 . VAL 133 133 26028 1 . GLY 134 134 26028 1 . ARG 135 135 26028 1 . SER 136 136 26028 1 . ASP 137 137 26028 1 . SER 138 138 26028 1 . GLU 139 139 26028 1 . THR 140 140 26028 1 . LYS 141 141 26028 1 . GLY 142 142 26028 1 . ALA 143 143 26028 1 . SER 144 144 26028 1 . GLU 145 145 26028 1 . GLY 146 146 26028 1 . TRP 147 147 26028 1 . CYS 148 148 26028 1 . PRO 149 149 26028 1 . TYR 150 150 26028 1 . CYS 151 151 26028 1 . GLY 152 152 26028 1 . SER 153 153 26028 1 . PRO 154 154 26028 1 . TYR 155 155 26028 1 . SER 156 156 26028 1 . PHE 157 157 26028 1 . LEU 158 158 26028 1 . PRO 159 159 26028 1 . GLN 160 160 26028 1 . LEU 161 161 26028 1 . ASN 162 162 26028 1 . PRO 163 163 26028 1 . GLY 164 164 26028 1 . ASP 165 165 26028 1 . ILE 166 166 26028 1 . VAL 167 167 26028 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 26028 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 26028 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 26028 2 ZN 'Three letter code' 26028 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 1 ZN $chem_comp_ZN 26028 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 26028 _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 $His-PknG_1-147 . 83332 organism . 'Mycobacterium tuberculosis' 'Mycobacterium tuberculosis' . . Bacteria . Mycobacterium tuberculosis H37Rv . . . . . . . . . . 'pknG Rv0410c MTCY22G10.06c' . 26028 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 26028 _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 $His-PknG_1-147 . 'recombinant technology' 'Escherichia coli' . . 469008 Escherichia coli 'BL21 (DE3)' . . . . . pET15b . . . 26028 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 26028 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 26028 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 26028 ZN [Zn++] SMILES CACTVS 3.341 26028 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 26028 ZN [Zn+2] SMILES ACDLabs 10.04 26028 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 26028 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 26028 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 26028 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 26028 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 26028 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26028 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'PknG 1-147 / rubredoxin domain in metal bound state (reduced) / with coordinated Zn - ion' _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 'PknG 1-147' '[U-13C; U-15N]' . . 1 $His-PknG_1-147 . protein . 0.4 0.8 mM . . . . 26028 1 2 TRIS-HCL 'natural abundance' . . . . . buffer 20 . . mM . . . . 26028 1 3 'sodium chloride' 'natural abundance' . . . . . salt 150 . . mM . . . . 26028 1 4 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 26028 1 5 D2O [U-2H] . . . . . solvent 5 . . % . . . . 26028 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 26028 _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' 150 . mM 26028 1 pH 7.5 . pH 26028 1 pressure 1 . atm 26028 1 temperature 298 . K 26028 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 26028 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 26028 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26028 1 'peak picking' 26028 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 26028 _Software.ID 2 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26028 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26028 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26028 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26028 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26028 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26028 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26028 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 26028 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 26028 1 2 spectrometer_2 Bruker Avance . 600 . . . 26028 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 26028 _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 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26028 1 2 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26028 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26028 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26028 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26028 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 26028 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.773 na indirect 0.251449530 . . . . . 26028 1 H 1 water protons . . . . ppm 4.773 internal direct 1.000000000 . . . . . 26028 1 N 15 water protons . . . . ppm 4.773 na indirect 0.101329118 . . . . . 26028 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_assignments_pkng1-147tag_3l _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assignments_pkng1-147tag_3l _Assigned_chem_shift_list.Entry_ID 26028 _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 0.15 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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' 1 $sample_1 isotropic 26028 1 2 '3D C(CO)NH' 1 $sample_1 isotropic 26028 1 3 '3D HNCO' 1 $sample_1 isotropic 26028 1 4 '3D HNCA' 1 $sample_1 isotropic 26028 1 5 '3D HNCACB' 1 $sample_1 isotropic 26028 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRView . . 26028 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 13 13 GLY CA C 13 45.319 0.15 . 1 . . . . 13 GLY CA . 26028 1 2 . 1 1 14 14 LEU H H 1 7.998 0.02 . 1 . . . . 14 LEU HN . 26028 1 3 . 1 1 14 14 LEU CA C 13 55.098 0.15 . 1 . . . . 14 LEU CA . 26028 1 4 . 1 1 14 14 LEU N N 15 121.417 0.1 . 1 . . . . 14 LEU N . 26028 1 5 . 1 1 15 15 VAL H H 1 8.055 0.02 . 1 . . . . 15 VAL HN . 26028 1 6 . 1 1 15 15 VAL CA C 13 59.794 0.15 . 1 . . . . 15 VAL CA . 26028 1 7 . 1 1 15 15 VAL N N 15 122.412 0.1 . 1 . . . . 15 VAL N . 26028 1 8 . 1 1 16 16 PRO CA C 13 63.129 0.15 . 1 . . . . 16 PRO CA . 26028 1 9 . 1 1 17 17 ARG H H 1 8.449 0.02 . 1 . . . . 17 ARG HN . 26028 1 10 . 1 1 17 17 ARG CA C 13 56.398 0.15 . 1 . . . . 17 ARG CA . 26028 1 11 . 1 1 17 17 ARG N N 15 121.933 0.1 . 1 . . . . 17 ARG N . 26028 1 12 . 1 1 26 26 GLU CA C 13 57.065 0.15 . 1 . . . . 26 GLU CA . 26028 1 13 . 1 1 26 26 GLU CB C 13 30.264 0.15 . 1 . . . . 26 GLU CB . 26028 1 14 . 1 1 26 26 GLU CG C 13 36.284 0.15 . 1 . . . . 26 GLU CG . 26028 1 15 . 1 1 27 27 THR H H 1 8.087 0.02 . 1 . . . . 27 THR HN . 26028 1 16 . 1 1 27 27 THR C C 13 174.826 0.15 . 1 . . . . 27 THR C . 26028 1 17 . 1 1 27 27 THR CA C 13 62.321 0.15 . 1 . . . . 27 THR CA . 26028 1 18 . 1 1 27 27 THR CB C 13 69.795 0.15 . 1 . . . . 27 THR CB . 26028 1 19 . 1 1 27 27 THR CG2 C 13 21.597 0.15 . 1 . . . . 27 THR CG2 . 26028 1 20 . 1 1 27 27 THR N N 15 113.913 0.1 . 1 . . . . 27 THR N . 26028 1 21 . 1 1 28 28 GLU H H 1 8.283 0.02 . 1 . . . . 28 GLU HN . 26028 1 22 . 1 1 28 28 GLU CA C 13 56.807 0.15 . 1 . . . . 28 GLU CA . 26028 1 23 . 1 1 28 28 GLU CB C 13 30.243 0.15 . 1 . . . . 28 GLU CB . 26028 1 24 . 1 1 28 28 GLU CG C 13 36.226 0.15 . 1 . . . . 28 GLU CG . 26028 1 25 . 1 1 28 28 GLU N N 15 123.248 0.1 . 1 . . . . 28 GLU N . 26028 1 26 . 1 1 29 29 ARG H H 1 8.312 0.02 . 1 . . . . 29 ARG HN . 26028 1 27 . 1 1 29 29 ARG C C 13 176.251 0.15 . 1 . . . . 29 ARG C . 26028 1 28 . 1 1 29 29 ARG CA C 13 56.133 0.15 . 1 . . . . 29 ARG CA . 26028 1 29 . 1 1 29 29 ARG CB C 13 30.557 0.15 . 1 . . . . 29 ARG CB . 26028 1 30 . 1 1 29 29 ARG CG C 13 26.984 0.15 . 1 . . . . 29 ARG CG . 26028 1 31 . 1 1 29 29 ARG N N 15 122.045 0.1 . 1 . . . . 29 ARG N . 26028 1 32 . 1 1 30 30 SER H H 1 8.314 0.02 . 1 . . . . 30 SER HN . 26028 1 33 . 1 1 30 30 SER C C 13 174.558 0.15 . 1 . . . . 30 SER C . 26028 1 34 . 1 1 30 30 SER CA C 13 58.283 0.15 . 1 . . . . 30 SER CA . 26028 1 35 . 1 1 30 30 SER CB C 13 64.179 0.15 . 1 . . . . 30 SER CB . 26028 1 36 . 1 1 30 30 SER N N 15 116.856 0.1 . 1 . . . . 30 SER N . 26028 1 37 . 1 1 31 31 GLY H H 1 8.251 0.02 . 1 . . . . 31 GLY HN . 26028 1 38 . 1 1 31 31 GLY CA C 13 44.670 0.15 . 1 . . . . 31 GLY CA . 26028 1 39 . 1 1 31 31 GLY N N 15 110.500 0.1 . 1 . . . . 31 GLY N . 26028 1 40 . 1 1 33 33 GLY C C 13 174.456 0.15 . 1 . . . . 33 GLY C . 26028 1 41 . 1 1 33 33 GLY CA C 13 45.350 0.15 . 1 . . . . 33 GLY CA . 26028 1 42 . 1 1 34 34 THR H H 1 7.959 0.02 . 1 . . . . 34 THR HN . 26028 1 43 . 1 1 34 34 THR C C 13 174.500 0.15 . 1 . . . . 34 THR C . 26028 1 44 . 1 1 34 34 THR CA C 13 61.854 0.15 . 1 . . . . 34 THR CA . 26028 1 45 . 1 1 34 34 THR CB C 13 70.029 0.15 . 1 . . . . 34 THR CB . 26028 1 46 . 1 1 34 34 THR CG2 C 13 21.547 0.15 . 1 . . . . 34 THR CG2 . 26028 1 47 . 1 1 34 34 THR N N 15 113.323 0.1 . 1 . . . . 34 THR N . 26028 1 48 . 1 1 35 35 GLN H H 1 8.450 0.02 . 1 . . . . 35 GLN HN . 26028 1 49 . 1 1 35 35 GLN HE21 H 1 7.544 0.02 . 2 . . . . 35 GLN HE21 . 26028 1 50 . 1 1 35 35 GLN HE22 H 1 6.843 0.02 . 2 . . . . 35 GLN HE22 . 26028 1 51 . 1 1 35 35 GLN CA C 13 53.684 0.15 . 1 . . . . 35 GLN CA . 26028 1 52 . 1 1 35 35 GLN CB C 13 28.907 0.15 . 1 . . . . 35 GLN CB . 26028 1 53 . 1 1 35 35 GLN N N 15 123.922 0.1 . 1 . . . . 35 GLN N . 26028 1 54 . 1 1 35 35 GLN NE2 N 15 112.566 0.1 . 1 . . . . 35 GLN NE2 . 26028 1 55 . 1 1 36 36 PRO C C 13 176.930 0.15 . 1 . . . . 36 PRO C . 26028 1 56 . 1 1 36 36 PRO CA C 13 63.268 0.15 . 1 . . . . 36 PRO CA . 26028 1 57 . 1 1 36 36 PRO CB C 13 32.205 0.15 . 1 . . . . 36 PRO CB . 26028 1 58 . 1 1 36 36 PRO CD C 13 50.657 0.15 . 1 . . . . 36 PRO CD . 26028 1 59 . 1 1 36 36 PRO CG C 13 27.357 0.15 . 1 . . . . 36 PRO CG . 26028 1 60 . 1 1 37 37 ALA H H 1 8.451 0.02 . 1 . . . . 37 ALA HN . 26028 1 61 . 1 1 37 37 ALA C C 13 175.979 0.15 . 1 . . . . 37 ALA C . 26028 1 62 . 1 1 37 37 ALA CA C 13 52.843 0.15 . 1 . . . . 37 ALA CA . 26028 1 63 . 1 1 37 37 ALA CB C 13 19.207 0.15 . 1 . . . . 37 ALA CB . 26028 1 64 . 1 1 37 37 ALA N N 15 124.069 0.1 . 1 . . . . 37 ALA N . 26028 1 65 . 1 1 38 38 ASP H H 1 8.222 0.02 . 1 . . . . 38 ASP HN . 26028 1 66 . 1 1 38 38 ASP C C 13 176.235 0.15 . 1 . . . . 38 ASP C . 26028 1 67 . 1 1 38 38 ASP CA C 13 54.220 0.15 . 1 . . . . 38 ASP CA . 26028 1 68 . 1 1 38 38 ASP CB C 13 41.194 0.15 . 1 . . . . 38 ASP CB . 26028 1 69 . 1 1 38 38 ASP N N 15 118.755 0.1 . 1 . . . . 38 ASP N . 26028 1 70 . 1 1 39 39 ALA H H 1 8.114 0.02 . 1 . . . . 39 ALA HN . 26028 1 71 . 1 1 39 39 ALA C C 13 176.267 0.15 . 1 . . . . 39 ALA C . 26028 1 72 . 1 1 39 39 ALA CA C 13 52.899 0.15 . 1 . . . . 39 ALA CA . 26028 1 73 . 1 1 39 39 ALA CB C 13 19.232 0.15 . 1 . . . . 39 ALA CB . 26028 1 74 . 1 1 39 39 ALA N N 15 123.866 0.1 . 1 . . . . 39 ALA N . 26028 1 75 . 1 1 40 40 GLN H H 1 8.347 0.02 . 1 . . . . 40 GLN HN . 26028 1 76 . 1 1 40 40 GLN HE21 H 1 7.524 0.02 . 2 . . . . 40 GLN HE21 . 26028 1 77 . 1 1 40 40 GLN HE22 H 1 6.839 0.02 . 2 . . . . 40 GLN HE22 . 26028 1 78 . 1 1 40 40 GLN C C 13 176.490 0.15 . 1 . . . . 40 GLN C . 26028 1 79 . 1 1 40 40 GLN CA C 13 56.150 0.15 . 1 . . . . 40 GLN CA . 26028 1 80 . 1 1 40 40 GLN CB C 13 29.301 0.15 . 1 . . . . 40 GLN CB . 26028 1 81 . 1 1 40 40 GLN CG C 13 33.887 0.15 . 1 . . . . 40 GLN CG . 26028 1 82 . 1 1 40 40 GLN N N 15 118.770 0.1 . 1 . . . . 40 GLN N . 26028 1 83 . 1 1 40 40 GLN NE2 N 15 112.783 0.1 . 1 . . . . 40 GLN NE2 . 26028 1 84 . 1 1 41 41 THR H H 1 8.075 0.02 . 1 . . . . 41 THR HN . 26028 1 85 . 1 1 41 41 THR C C 13 174.554 0.15 . 1 . . . . 41 THR C . 26028 1 86 . 1 1 41 41 THR CA C 13 62.116 0.15 . 1 . . . . 41 THR CA . 26028 1 87 . 1 1 41 41 THR CB C 13 69.830 0.15 . 1 . . . . 41 THR CB . 26028 1 88 . 1 1 41 41 THR CG2 C 13 21.451 0.15 . 1 . . . . 41 THR CG2 . 26028 1 89 . 1 1 41 41 THR N N 15 114.816 0.1 . 1 . . . . 41 THR N . 26028 1 90 . 1 1 42 42 ALA H H 1 8.317 0.02 . 1 . . . . 42 ALA HN . 26028 1 91 . 1 1 42 42 ALA CA C 13 52.835 0.15 . 1 . . . . 42 ALA CA . 26028 1 92 . 1 1 42 42 ALA CB C 13 19.277 0.15 . 1 . . . . 42 ALA CB . 26028 1 93 . 1 1 42 42 ALA N N 15 126.360 0.1 . 1 . . . . 42 ALA N . 26028 1 94 . 1 1 45 45 ALA C C 13 177.861 0.15 . 1 . . . . 45 ALA C . 26028 1 95 . 1 1 45 45 ALA CA C 13 52.713 0.15 . 1 . . . . 45 ALA CA . 26028 1 96 . 1 1 45 45 ALA CB C 13 19.299 0.15 . 1 . . . . 45 ALA CB . 26028 1 97 . 1 1 46 46 THR H H 1 8.074 0.02 . 1 . . . . 46 THR HN . 26028 1 98 . 1 1 46 46 THR C C 13 174.490 0.15 . 1 . . . . 46 THR C . 26028 1 99 . 1 1 46 46 THR CA C 13 62.202 0.15 . 1 . . . . 46 THR CA . 26028 1 100 . 1 1 46 46 THR CB C 13 69.853 0.15 . 1 . . . . 46 THR CB . 26028 1 101 . 1 1 46 46 THR CG2 C 13 21.554 0.15 . 1 . . . . 46 THR CG2 . 26028 1 102 . 1 1 46 46 THR N N 15 113.565 0.1 . 1 . . . . 46 THR N . 26028 1 103 . 1 1 47 47 VAL H H 1 8.084 0.02 . 1 . . . . 47 VAL HN . 26028 1 104 . 1 1 47 47 VAL C C 13 175.729 0.15 . 1 . . . . 47 VAL C . 26028 1 105 . 1 1 47 47 VAL CA C 13 62.207 0.15 . 1 . . . . 47 VAL CA . 26028 1 106 . 1 1 47 47 VAL CB C 13 32.705 0.15 . 1 . . . . 47 VAL CB . 26028 1 107 . 1 1 47 47 VAL CG1 C 13 20.782 0.15 . 2 . . . . 47 VAL CG1 . 26028 1 108 . 1 1 47 47 VAL N N 15 123.251 0.1 . 1 . . . . 47 VAL N . 26028 1 109 . 1 1 48 48 ARG H H 1 8.371 0.02 . 1 . . . . 48 ARG HN . 26028 1 110 . 1 1 48 48 ARG CA C 13 53.776 0.15 . 1 . . . . 48 ARG CA . 26028 1 111 . 1 1 48 48 ARG CB C 13 30.271 0.15 . 1 . . . . 48 ARG CB . 26028 1 112 . 1 1 48 48 ARG N N 15 126.367 0.1 . 1 . . . . 48 ARG N . 26028 1 113 . 1 1 49 49 PRO C C 13 176.916 0.15 . 1 . . . . 49 PRO C . 26028 1 114 . 1 1 49 49 PRO CA C 13 62.975 0.15 . 1 . . . . 49 PRO CA . 26028 1 115 . 1 1 49 49 PRO CB C 13 32.167 0.15 . 1 . . . . 49 PRO CB . 26028 1 116 . 1 1 49 49 PRO CD C 13 50.605 0.15 . 1 . . . . 49 PRO CD . 26028 1 117 . 1 1 49 49 PRO CG C 13 27.284 0.15 . 1 . . . . 49 PRO CG . 26028 1 118 . 1 1 50 50 LEU H H 1 8.380 0.02 . 1 . . . . 50 LEU HN . 26028 1 119 . 1 1 50 50 LEU CA C 13 55.431 0.15 . 1 . . . . 50 LEU CA . 26028 1 120 . 1 1 50 50 LEU CB C 13 42.410 0.15 . 1 . . . . 50 LEU CB . 26028 1 121 . 1 1 50 50 LEU N N 15 122.463 0.1 . 1 . . . . 50 LEU N . 26028 1 122 . 1 1 52 52 THR CA C 13 62.055 0.15 . 1 . . . . 52 THR CA . 26028 1 123 . 1 1 52 52 THR CB C 13 69.596 0.15 . 1 . . . . 52 THR CB . 26028 1 124 . 1 1 52 52 THR CG2 C 13 21.555 0.15 . 1 . . . . 52 THR CG2 . 26028 1 125 . 1 1 53 53 GLN H H 1 8.240 0.02 . 1 . . . . 53 GLN HN . 26028 1 126 . 1 1 53 53 GLN HE21 H 1 7.526 0.02 . 2 . . . . 53 GLN HE21 . 26028 1 127 . 1 1 53 53 GLN HE22 H 1 6.840 0.02 . 2 . . . . 53 GLN HE22 . 26028 1 128 . 1 1 53 53 GLN C C 13 175.556 0.15 . 1 . . . . 53 GLN C . 26028 1 129 . 1 1 53 53 GLN CA C 13 55.881 0.15 . 1 . . . . 53 GLN CA . 26028 1 130 . 1 1 53 53 GLN CB C 13 29.676 0.15 . 1 . . . . 53 GLN CB . 26028 1 131 . 1 1 53 53 GLN CG C 13 33.750 0.15 . 1 . . . . 53 GLN CG . 26028 1 132 . 1 1 53 53 GLN N N 15 122.053 0.1 . 1 . . . . 53 GLN N . 26028 1 133 . 1 1 53 53 GLN NE2 N 15 112.535 0.1 . 1 . . . . 53 GLN NE2 . 26028 1 134 . 1 1 54 54 ALA H H 1 8.245 0.02 . 1 . . . . 54 ALA HN . 26028 1 135 . 1 1 54 54 ALA C C 13 177.375 0.15 . 1 . . . . 54 ALA C . 26028 1 136 . 1 1 54 54 ALA CA C 13 52.528 0.15 . 1 . . . . 54 ALA CA . 26028 1 137 . 1 1 54 54 ALA CB C 13 19.353 0.15 . 1 . . . . 54 ALA CB . 26028 1 138 . 1 1 54 54 ALA N N 15 125.518 0.1 . 1 . . . . 54 ALA N . 26028 1 139 . 1 1 55 55 VAL H H 1 7.947 0.02 . 1 . . . . 55 VAL HN . 26028 1 140 . 1 1 55 55 VAL C C 13 175.642 0.15 . 1 . . . . 55 VAL C . 26028 1 141 . 1 1 55 55 VAL CA C 13 62.067 0.15 . 1 . . . . 55 VAL CA . 26028 1 142 . 1 1 55 55 VAL CB C 13 33.040 0.15 . 1 . . . . 55 VAL CB . 26028 1 143 . 1 1 55 55 VAL N N 15 118.993 0.1 . 1 . . . . 55 VAL N . 26028 1 144 . 1 1 56 56 PHE H H 1 8.318 0.02 . 1 . . . . 56 PHE HN . 26028 1 145 . 1 1 56 56 PHE C C 13 174.912 0.15 . 1 . . . . 56 PHE C . 26028 1 146 . 1 1 56 56 PHE CA C 13 57.620 0.15 . 1 . . . . 56 PHE CA . 26028 1 147 . 1 1 56 56 PHE CB C 13 39.788 0.15 . 1 . . . . 56 PHE CB . 26028 1 148 . 1 1 56 56 PHE N N 15 124.615 0.1 . 1 . . . . 56 PHE N . 26028 1 149 . 1 1 57 57 ARG H H 1 8.108 0.02 . 1 . . . . 57 ARG HN . 26028 1 150 . 1 1 57 57 ARG CA C 13 53.260 0.15 . 1 . . . . 57 ARG CA . 26028 1 151 . 1 1 57 57 ARG CB C 13 30.804 0.15 . 1 . . . . 57 ARG CB . 26028 1 152 . 1 1 57 57 ARG N N 15 125.210 0.1 . 1 . . . . 57 ARG N . 26028 1 153 . 1 1 58 58 PRO C C 13 177.626 0.15 . 1 . . . . 58 PRO C . 26028 1 154 . 1 1 58 58 PRO CA C 13 63.119 0.15 . 1 . . . . 58 PRO CA . 26028 1 155 . 1 1 58 58 PRO CB C 13 32.042 0.15 . 1 . . . . 58 PRO CB . 26028 1 156 . 1 1 58 58 PRO CD C 13 50.665 0.15 . 1 . . . . 58 PRO CD . 26028 1 157 . 1 1 58 58 PRO CG C 13 27.090 0.15 . 1 . . . . 58 PRO CG . 26028 1 158 . 1 1 59 59 ASP H H 1 8.305 0.02 . 1 . . . . 59 ASP HN . 26028 1 159 . 1 1 59 59 ASP C C 13 175.934 0.15 . 1 . . . . 59 ASP C . 26028 1 160 . 1 1 59 59 ASP CA C 13 54.108 0.15 . 1 . . . . 59 ASP CA . 26028 1 161 . 1 1 59 59 ASP CB C 13 41.101 0.15 . 1 . . . . 59 ASP CB . 26028 1 162 . 1 1 59 59 ASP N N 15 119.225 0.1 . 1 . . . . 59 ASP N . 26028 1 163 . 1 1 60 60 PHE H H 1 8.063 0.02 . 1 . . . . 60 PHE HN . 26028 1 164 . 1 1 60 60 PHE C C 13 176.245 0.15 . 1 . . . . 60 PHE C . 26028 1 165 . 1 1 60 60 PHE CA C 13 57.827 0.15 . 1 . . . . 60 PHE CA . 26028 1 166 . 1 1 60 60 PHE CB C 13 39.561 0.15 . 1 . . . . 60 PHE CB . 26028 1 167 . 1 1 60 60 PHE N N 15 120.158 0.1 . 1 . . . . 60 PHE N . 26028 1 168 . 1 1 61 61 GLY H H 1 8.388 0.02 . 1 . . . . 61 GLY HN . 26028 1 169 . 1 1 61 61 GLY C C 13 173.922 0.15 . 1 . . . . 61 GLY C . 26028 1 170 . 1 1 61 61 GLY CA C 13 45.399 0.15 . 1 . . . . 61 GLY CA . 26028 1 171 . 1 1 61 61 GLY N N 15 110.244 0.1 . 1 . . . . 61 GLY N . 26028 1 172 . 1 1 62 62 ASP H H 1 8.180 0.02 . 1 . . . . 62 ASP HN . 26028 1 173 . 1 1 62 62 ASP C C 13 176.588 0.15 . 1 . . . . 62 ASP C . 26028 1 174 . 1 1 62 62 ASP CA C 13 54.465 0.15 . 1 . . . . 62 ASP CA . 26028 1 175 . 1 1 62 62 ASP CB C 13 41.411 0.15 . 1 . . . . 62 ASP CB . 26028 1 176 . 1 1 62 62 ASP N N 15 120.489 0.1 . 1 . . . . 62 ASP N . 26028 1 177 . 1 1 63 63 GLU H H 1 8.469 0.02 . 1 . . . . 63 GLU HN . 26028 1 178 . 1 1 63 63 GLU C C 13 176.501 0.15 . 1 . . . . 63 GLU C . 26028 1 179 . 1 1 63 63 GLU CA C 13 57.153 0.15 . 1 . . . . 63 GLU CA . 26028 1 180 . 1 1 63 63 GLU CB C 13 30.223 0.15 . 1 . . . . 63 GLU CB . 26028 1 181 . 1 1 63 63 GLU CG C 13 36.321 0.15 . 1 . . . . 63 GLU CG . 26028 1 182 . 1 1 63 63 GLU N N 15 120.573 0.1 . 1 . . . . 63 GLU N . 26028 1 183 . 1 1 64 64 ASP H H 1 8.289 0.02 . 1 . . . . 64 ASP HN . 26028 1 184 . 1 1 64 64 ASP C C 13 175.914 0.15 . 1 . . . . 64 ASP C . 26028 1 185 . 1 1 64 64 ASP CA C 13 54.581 0.15 . 1 . . . . 64 ASP CA . 26028 1 186 . 1 1 64 64 ASP CB C 13 41.210 0.15 . 1 . . . . 64 ASP CB . 26028 1 187 . 1 1 64 64 ASP N N 15 120.337 0.1 . 1 . . . . 64 ASP N . 26028 1 188 . 1 1 65 65 ASN H H 1 8.114 0.02 . 1 . . . . 65 ASN HN . 26028 1 189 . 1 1 65 65 ASN HD21 H 1 7.547 0.02 . 2 . . . . 65 ASN HD21 . 26028 1 190 . 1 1 65 65 ASN HD22 H 1 6.839 0.02 . 2 . . . . 65 ASN HD22 . 26028 1 191 . 1 1 65 65 ASN C C 13 174.454 0.15 . 1 . . . . 65 ASN C . 26028 1 192 . 1 1 65 65 ASN CA C 13 53.090 0.15 . 1 . . . . 65 ASN CA . 26028 1 193 . 1 1 65 65 ASN CB C 13 39.183 0.15 . 1 . . . . 65 ASN CB . 26028 1 194 . 1 1 65 65 ASN N N 15 118.323 0.1 . 1 . . . . 65 ASN N . 26028 1 195 . 1 1 65 65 ASN ND2 N 15 113.006 0.1 . 1 . . . . 65 ASN ND2 . 26028 1 196 . 1 1 66 66 PHE H H 1 8.066 0.02 . 1 . . . . 66 PHE HN . 26028 1 197 . 1 1 66 66 PHE CA C 13 55.701 0.15 . 1 . . . . 66 PHE CA . 26028 1 198 . 1 1 66 66 PHE CB C 13 39.190 0.15 . 1 . . . . 66 PHE CB . 26028 1 199 . 1 1 66 66 PHE N N 15 121.483 0.1 . 1 . . . . 66 PHE N . 26028 1 200 . 1 1 67 67 PRO C C 13 176.238 0.15 . 1 . . . . 67 PRO C . 26028 1 201 . 1 1 67 67 PRO CA C 13 62.893 0.15 . 1 . . . . 67 PRO CA . 26028 1 202 . 1 1 67 67 PRO CB C 13 31.716 0.15 . 1 . . . . 67 PRO CB . 26028 1 203 . 1 1 67 67 PRO CD C 13 50.314 0.15 . 1 . . . . 67 PRO CD . 26028 1 204 . 1 1 67 67 PRO CG C 13 27.126 0.15 . 1 . . . . 67 PRO CG . 26028 1 205 . 1 1 68 68 HIS H H 1 8.268 0.02 . 1 . . . . 68 HIS HN . 26028 1 206 . 1 1 68 68 HIS CA C 13 54.460 0.15 . 1 . . . . 68 HIS CA . 26028 1 207 . 1 1 68 68 HIS CB C 13 30.276 0.15 . 1 . . . . 68 HIS CB . 26028 1 208 . 1 1 68 68 HIS N N 15 121.602 0.1 . 1 . . . . 68 HIS N . 26028 1 209 . 1 1 69 69 PRO C C 13 177.096 0.15 . 1 . . . . 69 PRO C . 26028 1 210 . 1 1 69 69 PRO CA C 13 63.412 0.15 . 1 . . . . 69 PRO CA . 26028 1 211 . 1 1 69 69 PRO CB C 13 32.224 0.15 . 1 . . . . 69 PRO CB . 26028 1 212 . 1 1 69 69 PRO CD C 13 50.483 0.15 . 1 . . . . 69 PRO CD . 26028 1 213 . 1 1 69 69 PRO CG C 13 27.248 0.15 . 1 . . . . 69 PRO CG . 26028 1 214 . 1 1 70 70 THR H H 1 8.412 0.02 . 1 . . . . 70 THR HN . 26028 1 215 . 1 1 70 70 THR C C 13 174.528 0.15 . 1 . . . . 70 THR C . 26028 1 216 . 1 1 70 70 THR CA C 13 61.974 0.15 . 1 . . . . 70 THR CA . 26028 1 217 . 1 1 70 70 THR CB C 13 69.925 0.15 . 1 . . . . 70 THR CB . 26028 1 218 . 1 1 70 70 THR CG2 C 13 21.584 0.15 . 1 . . . . 70 THR CG2 . 26028 1 219 . 1 1 70 70 THR N N 15 114.914 0.1 . 1 . . . . 70 THR N . 26028 1 220 . 1 1 71 71 LEU H H 1 8.354 0.02 . 1 . . . . 71 LEU HN . 26028 1 221 . 1 1 71 71 LEU C C 13 177.368 0.15 . 1 . . . . 71 LEU C . 26028 1 222 . 1 1 71 71 LEU CA C 13 54.956 0.15 . 1 . . . . 71 LEU CA . 26028 1 223 . 1 1 71 71 LEU CB C 13 42.649 0.15 . 1 . . . . 71 LEU CB . 26028 1 224 . 1 1 71 71 LEU CD1 C 13 24.985 0.15 . 2 . . . . 71 LEU CD1 . 26028 1 225 . 1 1 71 71 LEU CD2 C 13 23.203 0.15 . 2 . . . . 71 LEU CD2 . 26028 1 226 . 1 1 71 71 LEU CG C 13 26.851 0.15 . 1 . . . . 71 LEU CG . 26028 1 227 . 1 1 71 71 LEU N N 15 125.016 0.1 . 1 . . . . 71 LEU N . 26028 1 228 . 1 1 72 72 GLY H H 1 8.232 0.02 . 1 . . . . 72 GLY HN . 26028 1 229 . 1 1 72 72 GLY CA C 13 44.600 0.15 . 1 . . . . 72 GLY CA . 26028 1 230 . 1 1 72 72 GLY N N 15 109.907 0.1 . 1 . . . . 72 GLY N . 26028 1 231 . 1 1 73 73 PRO C C 13 176.951 0.15 . 1 . . . . 73 PRO C . 26028 1 232 . 1 1 73 73 PRO CA C 13 63.431 0.15 . 1 . . . . 73 PRO CA . 26028 1 233 . 1 1 73 73 PRO CB C 13 32.233 0.15 . 1 . . . . 73 PRO CB . 26028 1 234 . 1 1 73 73 PRO CD C 13 49.832 0.15 . 1 . . . . 73 PRO CD . 26028 1 235 . 1 1 73 73 PRO CG C 13 26.959 0.15 . 1 . . . . 73 PRO CG . 26028 1 236 . 1 1 74 74 ASP H H 1 8.466 0.02 . 1 . . . . 74 ASP HN . 26028 1 237 . 1 1 74 74 ASP CA C 13 54.461 0.15 . 1 . . . . 74 ASP CA . 26028 1 238 . 1 1 74 74 ASP CB C 13 40.942 0.15 . 1 . . . . 74 ASP CB . 26028 1 239 . 1 1 74 74 ASP N N 15 119.621 0.1 . 1 . . . . 74 ASP N . 26028 1 240 . 1 1 75 75 THR H H 1 7.925 0.02 . 1 . . . . 75 THR HN . 26028 1 241 . 1 1 75 75 THR C C 13 174.445 0.15 . 1 . . . . 75 THR C . 26028 1 242 . 1 1 75 75 THR CA C 13 61.915 0.15 . 1 . . . . 75 THR CA . 26028 1 243 . 1 1 75 75 THR CB C 13 70.011 0.15 . 1 . . . . 75 THR CB . 26028 1 244 . 1 1 75 75 THR CG2 C 13 21.603 0.15 . 1 . . . . 75 THR CG2 . 26028 1 245 . 1 1 75 75 THR N N 15 113.525 0.1 . 1 . . . . 75 THR N . 26028 1 246 . 1 1 76 76 GLU H H 1 8.351 0.02 . 1 . . . . 76 GLU HN . 26028 1 247 . 1 1 76 76 GLU CA C 13 54.652 0.15 . 1 . . . . 76 GLU CA . 26028 1 248 . 1 1 76 76 GLU CB C 13 29.726 0.15 . 1 . . . . 76 GLU CB . 26028 1 249 . 1 1 76 76 GLU N N 15 124.617 0.1 . 1 . . . . 76 GLU N . 26028 1 250 . 1 1 77 77 PRO C C 13 177.371 0.15 . 1 . . . . 77 PRO C . 26028 1 251 . 1 1 77 77 PRO CA C 13 63.536 0.15 . 1 . . . . 77 PRO CA . 26028 1 252 . 1 1 77 77 PRO CB C 13 32.155 0.15 . 1 . . . . 77 PRO CB . 26028 1 253 . 1 1 77 77 PRO CD C 13 50.639 0.15 . 1 . . . . 77 PRO CD . 26028 1 254 . 1 1 77 77 PRO CG C 13 27.420 0.15 . 1 . . . . 77 PRO CG . 26028 1 255 . 1 1 78 78 GLN H H 1 8.545 0.02 . 1 . . . . 78 GLN HN . 26028 1 256 . 1 1 78 78 GLN HE21 H 1 7.504 0.02 . 2 . . . . 78 GLN HE21 . 26028 1 257 . 1 1 78 78 GLN HE22 H 1 6.838 0.02 . 2 . . . . 78 GLN HE22 . 26028 1 258 . 1 1 78 78 GLN CA C 13 56.172 0.15 . 1 . . . . 78 GLN CA . 26028 1 259 . 1 1 78 78 GLN CB C 13 29.450 0.15 . 1 . . . . 78 GLN CB . 26028 1 260 . 1 1 78 78 GLN CG C 13 33.687 0.15 . 1 . . . . 78 GLN CG . 26028 1 261 . 1 1 78 78 GLN N N 15 120.129 0.1 . 1 . . . . 78 GLN N . 26028 1 262 . 1 1 78 78 GLN NE2 N 15 112.525 0.1 . 1 . . . . 78 GLN NE2 . 26028 1 263 . 1 1 79 79 ASP H H 1 8.325 0.02 . 1 . . . . 79 ASP HN . 26028 1 264 . 1 1 79 79 ASP C C 13 176.531 0.15 . 1 . . . . 79 ASP C . 26028 1 265 . 1 1 79 79 ASP CA C 13 54.420 0.15 . 1 . . . . 79 ASP CA . 26028 1 266 . 1 1 79 79 ASP CB C 13 41.175 0.15 . 1 . . . . 79 ASP CB . 26028 1 267 . 1 1 79 79 ASP N N 15 120.827 0.1 . 1 . . . . 79 ASP N . 26028 1 268 . 1 1 80 80 ARG H H 1 8.200 0.02 . 1 . . . . 80 ARG HN . 26028 1 269 . 1 1 80 80 ARG C C 13 176.763 0.15 . 1 . . . . 80 ARG C . 26028 1 270 . 1 1 80 80 ARG CA C 13 56.641 0.15 . 1 . . . . 80 ARG CA . 26028 1 271 . 1 1 80 80 ARG CB C 13 30.464 0.15 . 1 . . . . 80 ARG CB . 26028 1 272 . 1 1 80 80 ARG CD C 13 43.316 0.15 . 1 . . . . 80 ARG CD . 26028 1 273 . 1 1 80 80 ARG CG C 13 27.025 0.15 . 1 . . . . 80 ARG CG . 26028 1 274 . 1 1 80 80 ARG N N 15 121.142 0.1 . 1 . . . . 80 ARG N . 26028 1 275 . 1 1 81 81 MET H H 1 8.282 0.02 . 1 . . . . 81 MET HN . 26028 1 276 . 1 1 81 81 MET C C 13 176.379 0.15 . 1 . . . . 81 MET C . 26028 1 277 . 1 1 81 81 MET CA C 13 55.632 0.15 . 1 . . . . 81 MET CA . 26028 1 278 . 1 1 81 81 MET CB C 13 32.505 0.15 . 1 . . . . 81 MET CB . 26028 1 279 . 1 1 81 81 MET CG C 13 32.059 0.15 . 1 . . . . 81 MET CG . 26028 1 280 . 1 1 81 81 MET N N 15 119.841 0.1 . 1 . . . . 81 MET N . 26028 1 281 . 1 1 82 82 ALA H H 1 8.158 0.02 . 1 . . . . 82 ALA HN . 26028 1 282 . 1 1 82 82 ALA C C 13 178.126 0.15 . 1 . . . . 82 ALA C . 26028 1 283 . 1 1 82 82 ALA CA C 13 52.854 0.15 . 1 . . . . 82 ALA CA . 26028 1 284 . 1 1 82 82 ALA CB C 13 19.233 0.15 . 1 . . . . 82 ALA CB . 26028 1 285 . 1 1 82 82 ALA N N 15 124.475 0.1 . 1 . . . . 82 ALA N . 26028 1 286 . 1 1 83 83 THR H H 1 8.126 0.02 . 1 . . . . 83 THR HN . 26028 1 287 . 1 1 83 83 THR CA C 13 61.987 0.15 . 1 . . . . 83 THR CA . 26028 1 288 . 1 1 83 83 THR CB C 13 69.892 0.15 . 1 . . . . 83 THR CB . 26028 1 289 . 1 1 83 83 THR N N 15 112.916 0.1 . 1 . . . . 83 THR N . 26028 1 290 . 1 1 90 90 PRO C C 13 175.964 0.15 . 1 . . . . 90 PRO C . 26028 1 291 . 1 1 90 90 PRO CA C 13 62.970 0.15 . 1 . . . . 90 PRO CA . 26028 1 292 . 1 1 91 91 VAL H H 1 8.075 0.02 . 1 . . . . 91 VAL HN . 26028 1 293 . 1 1 91 91 VAL CA C 13 62.414 0.15 . 1 . . . . 91 VAL CA . 26028 1 294 . 1 1 91 91 VAL N N 15 120.136 0.1 . 1 . . . . 91 VAL N . 26028 1 295 . 1 1 96 96 GLY CA C 13 45.355 0.15 . 1 . . . . 96 GLY CA . 26028 1 296 . 1 1 97 97 GLY H H 1 8.291 0.02 . 1 . . . . 97 GLY HN . 26028 1 297 . 1 1 97 97 GLY C C 13 177.620 0.15 . 1 . . . . 97 GLY C . 26028 1 298 . 1 1 97 97 GLY CA C 13 45.165 0.15 . 1 . . . . 97 GLY CA . 26028 1 299 . 1 1 97 97 GLY N N 15 108.672 0.1 . 1 . . . . 97 GLY N . 26028 1 300 . 1 1 98 98 LEU H H 1 8.097 0.02 . 1 . . . . 98 LEU HN . 26028 1 301 . 1 1 98 98 LEU C C 13 177.254 0.15 . 1 . . . . 98 LEU C . 26028 1 302 . 1 1 98 98 LEU CA C 13 55.277 0.15 . 1 . . . . 98 LEU CA . 26028 1 303 . 1 1 98 98 LEU CB C 13 42.642 0.15 . 1 . . . . 98 LEU CB . 26028 1 304 . 1 1 98 98 LEU CD1 C 13 24.889 0.15 . 2 . . . . 98 LEU CD1 . 26028 1 305 . 1 1 98 98 LEU CD2 C 13 23.366 0.15 . 2 . . . . 98 LEU CD2 . 26028 1 306 . 1 1 98 98 LEU CG C 13 26.938 0.15 . 1 . . . . 98 LEU CG . 26028 1 307 . 1 1 98 98 LEU N N 15 121.571 0.1 . 1 . . . . 98 LEU N . 26028 1 308 . 1 1 99 99 VAL H H 1 8.083 0.02 . 1 . . . . 99 VAL HN . 26028 1 309 . 1 1 99 99 VAL C C 13 175.728 0.15 . 1 . . . . 99 VAL C . 26028 1 310 . 1 1 99 99 VAL CA C 13 62.133 0.15 . 1 . . . . 99 VAL CA . 26028 1 311 . 1 1 99 99 VAL CB C 13 32.981 0.15 . 1 . . . . 99 VAL CB . 26028 1 312 . 1 1 99 99 VAL CG1 C 13 20.796 0.15 . 2 . . . . 99 VAL CG1 . 26028 1 313 . 1 1 99 99 VAL N N 15 120.770 0.1 . 1 . . . . 99 VAL N . 26028 1 314 . 1 1 100 100 GLU H H 1 8.387 0.02 . 1 . . . . 100 GLU HN . 26028 1 315 . 1 1 100 100 GLU CA C 13 56.074 0.15 . 1 . . . . 100 GLU CA . 26028 1 316 . 1 1 100 100 GLU CB C 13 30.706 0.15 . 1 . . . . 100 GLU CB . 26028 1 317 . 1 1 100 100 GLU CG C 13 36.171 0.15 . 1 . . . . 100 GLU CG . 26028 1 318 . 1 1 100 100 GLU N N 15 125.002 0.1 . 1 . . . . 100 GLU N . 26028 1 319 . 1 1 101 101 ILE H H 1 8.239 0.02 . 1 . . . . 101 ILE HN . 26028 1 320 . 1 1 101 101 ILE CA C 13 58.538 0.15 . 1 . . . . 101 ILE CA . 26028 1 321 . 1 1 101 101 ILE CB C 13 38.679 0.15 . 1 . . . . 101 ILE CB . 26028 1 322 . 1 1 101 101 ILE N N 15 124.432 0.1 . 1 . . . . 101 ILE N . 26028 1 323 . 1 1 102 102 PRO CA C 13 63.133 0.15 . 1 . . . . 102 PRO CA . 26028 1 324 . 1 1 102 102 PRO CB C 13 31.885 0.15 . 1 . . . . 102 PRO CB . 26028 1 325 . 1 1 102 102 PRO CD C 13 51.073 0.15 . 1 . . . . 102 PRO CD . 26028 1 326 . 1 1 102 102 PRO CG C 13 27.257 0.15 . 1 . . . . 102 PRO CG . 26028 1 327 . 1 1 103 103 ARG H H 1 8.333 0.02 . 1 . . . . 103 ARG HN . 26028 1 328 . 1 1 103 103 ARG C C 13 175.727 0.15 . 1 . . . . 103 ARG C . 26028 1 329 . 1 1 103 103 ARG CA C 13 55.671 0.15 . 1 . . . . 103 ARG CA . 26028 1 330 . 1 1 103 103 ARG CB C 13 31.137 0.15 . 1 . . . . 103 ARG CB . 26028 1 331 . 1 1 103 103 ARG CD C 13 43.325 0.15 . 1 . . . . 103 ARG CD . 26028 1 332 . 1 1 103 103 ARG CG C 13 26.947 0.15 . 1 . . . . 103 ARG CG . 26028 1 333 . 1 1 103 103 ARG N N 15 121.799 0.1 . 1 . . . . 103 ARG N . 26028 1 334 . 1 1 104 104 ALA H H 1 8.385 0.02 . 1 . . . . 104 ALA HN . 26028 1 335 . 1 1 104 104 ALA CA C 13 50.564 0.15 . 1 . . . . 104 ALA CA . 26028 1 336 . 1 1 104 104 ALA CB C 13 18.223 0.15 . 1 . . . . 104 ALA CB . 26028 1 337 . 1 1 104 104 ALA N N 15 127.376 0.1 . 1 . . . . 104 ALA N . 26028 1 338 . 1 1 105 105 PRO C C 13 176.584 0.15 . 1 . . . . 105 PRO C . 26028 1 339 . 1 1 105 105 PRO CA C 13 63.179 0.15 . 1 . . . . 105 PRO CA . 26028 1 340 . 1 1 105 105 PRO CB C 13 32.107 0.15 . 1 . . . . 105 PRO CB . 26028 1 341 . 1 1 105 105 PRO CD C 13 50.559 0.15 . 1 . . . . 105 PRO CD . 26028 1 342 . 1 1 105 105 PRO CG C 13 27.215 0.15 . 1 . . . . 105 PRO CG . 26028 1 343 . 1 1 106 106 ASP H H 1 8.359 0.02 . 1 . . . . 106 ASP HN . 26028 1 344 . 1 1 106 106 ASP C C 13 175.891 0.15 . 1 . . . . 106 ASP C . 26028 1 345 . 1 1 106 106 ASP CA C 13 54.431 0.15 . 1 . . . . 106 ASP CA . 26028 1 346 . 1 1 106 106 ASP CB C 13 41.132 0.15 . 1 . . . . 106 ASP CB . 26028 1 347 . 1 1 106 106 ASP N N 15 120.029 0.1 . 1 . . . . 106 ASP N . 26028 1 348 . 1 1 107 107 ILE H H 1 7.890 0.02 . 1 . . . . 107 ILE HN . 26028 1 349 . 1 1 107 107 ILE C C 13 175.568 0.15 . 1 . . . . 107 ILE C . 26028 1 350 . 1 1 107 107 ILE CA C 13 60.537 0.15 . 1 . . . . 107 ILE CA . 26028 1 351 . 1 1 107 107 ILE CB C 13 39.295 0.15 . 1 . . . . 107 ILE CB . 26028 1 352 . 1 1 107 107 ILE CD1 C 13 12.658 0.15 . 1 . . . . 107 ILE CD1 . 26028 1 353 . 1 1 107 107 ILE CG1 C 13 27.059 0.15 . 1 . . . . 107 ILE CG1 . 26028 1 354 . 1 1 107 107 ILE CG2 C 13 17.245 0.15 . 1 . . . . 107 ILE CG2 . 26028 1 355 . 1 1 107 107 ILE N N 15 120.095 0.1 . 1 . . . . 107 ILE N . 26028 1 356 . 1 1 108 108 ASP H H 1 8.519 0.02 . 1 . . . . 108 ASP HN . 26028 1 357 . 1 1 108 108 ASP CA C 13 52.092 0.15 . 1 . . . . 108 ASP CA . 26028 1 358 . 1 1 108 108 ASP CB C 13 41.689 0.15 . 1 . . . . 108 ASP CB . 26028 1 359 . 1 1 108 108 ASP N N 15 126.838 0.1 . 1 . . . . 108 ASP N . 26028 1 360 . 1 1 109 109 PRO C C 13 177.729 0.15 . 1 . . . . 109 PRO C . 26028 1 361 . 1 1 109 109 PRO CA C 13 63.980 0.15 . 1 . . . . 109 PRO CA . 26028 1 362 . 1 1 109 109 PRO CB C 13 32.255 0.15 . 1 . . . . 109 PRO CB . 26028 1 363 . 1 1 109 109 PRO CD C 13 50.717 0.15 . 1 . . . . 109 PRO CD . 26028 1 364 . 1 1 109 109 PRO CG C 13 27.174 0.15 . 1 . . . . 109 PRO CG . 26028 1 365 . 1 1 110 110 LEU H H 1 8.334 0.02 . 1 . . . . 110 LEU HN . 26028 1 366 . 1 1 110 110 LEU C C 13 178.481 0.15 . 1 . . . . 110 LEU C . 26028 1 367 . 1 1 110 110 LEU CA C 13 55.994 0.15 . 1 . . . . 110 LEU CA . 26028 1 368 . 1 1 110 110 LEU CB C 13 41.606 0.15 . 1 . . . . 110 LEU CB . 26028 1 369 . 1 1 110 110 LEU CD1 C 13 24.901 0.15 . 2 . . . . 110 LEU CD1 . 26028 1 370 . 1 1 110 110 LEU CD2 C 13 23.089 0.15 . 2 . . . . 110 LEU CD2 . 26028 1 371 . 1 1 110 110 LEU CG C 13 27.001 0.15 . 1 . . . . 110 LEU CG . 26028 1 372 . 1 1 110 110 LEU N N 15 119.709 0.1 . 1 . . . . 110 LEU N . 26028 1 373 . 1 1 111 111 GLU H H 1 7.950 0.02 . 1 . . . . 111 GLU HN . 26028 1 374 . 1 1 111 111 GLU C C 13 177.255 0.15 . 1 . . . . 111 GLU C . 26028 1 375 . 1 1 111 111 GLU CA C 13 57.548 0.15 . 1 . . . . 111 GLU CA . 26028 1 376 . 1 1 111 111 GLU CB C 13 30.060 0.15 . 1 . . . . 111 GLU CB . 26028 1 377 . 1 1 111 111 GLU CG C 13 36.260 0.15 . 1 . . . . 111 GLU CG . 26028 1 378 . 1 1 111 111 GLU N N 15 120.422 0.1 . 1 . . . . 111 GLU N . 26028 1 379 . 1 1 112 112 ALA H H 1 8.041 0.02 . 1 . . . . 112 ALA HN . 26028 1 380 . 1 1 112 112 ALA C C 13 178.065 0.15 . 1 . . . . 112 ALA C . 26028 1 381 . 1 1 112 112 ALA CA C 13 53.126 0.15 . 1 . . . . 112 ALA CA . 26028 1 382 . 1 1 112 112 ALA CB C 13 18.967 0.15 . 1 . . . . 112 ALA CB . 26028 1 383 . 1 1 112 112 ALA N N 15 123.144 0.1 . 1 . . . . 112 ALA N . 26028 1 384 . 1 1 113 113 LEU H H 1 7.856 0.02 . 1 . . . . 113 LEU HN . 26028 1 385 . 1 1 113 113 LEU C C 13 177.757 0.15 . 1 . . . . 113 LEU C . 26028 1 386 . 1 1 113 113 LEU CA C 13 55.611 0.15 . 1 . . . . 113 LEU CA . 26028 1 387 . 1 1 113 113 LEU CB C 13 42.347 0.15 . 1 . . . . 113 LEU CB . 26028 1 388 . 1 1 113 113 LEU CD1 C 13 24.977 0.15 . 2 . . . . 113 LEU CD1 . 26028 1 389 . 1 1 113 113 LEU CD2 C 13 23.339 0.15 . 2 . . . . 113 LEU CD2 . 26028 1 390 . 1 1 113 113 LEU CG C 13 26.875 0.15 . 1 . . . . 113 LEU CG . 26028 1 391 . 1 1 113 113 LEU N N 15 119.428 0.1 . 1 . . . . 113 LEU N . 26028 1 392 . 1 1 114 114 MET H H 1 8.077 0.02 . 1 . . . . 114 MET HN . 26028 1 393 . 1 1 114 114 MET C C 13 176.405 0.15 . 1 . . . . 114 MET C . 26028 1 394 . 1 1 114 114 MET CA C 13 55.672 0.15 . 1 . . . . 114 MET CA . 26028 1 395 . 1 1 114 114 MET CB C 13 32.692 0.15 . 1 . . . . 114 MET CB . 26028 1 396 . 1 1 114 114 MET CG C 13 32.034 0.15 . 1 . . . . 114 MET CG . 26028 1 397 . 1 1 114 114 MET N N 15 119.399 0.1 . 1 . . . . 114 MET N . 26028 1 398 . 1 1 115 115 THR H H 1 7.944 0.02 . 1 . . . . 115 THR HN . 26028 1 399 . 1 1 115 115 THR CA C 13 61.988 0.15 . 1 . . . . 115 THR CA . 26028 1 400 . 1 1 115 115 THR CB C 13 69.896 0.15 . 1 . . . . 115 THR CB . 26028 1 401 . 1 1 115 115 THR CG2 C 13 21.581 0.15 . 1 . . . . 115 THR CG2 . 26028 1 402 . 1 1 115 115 THR N N 15 113.907 0.1 . 1 . . . . 115 THR N . 26028 1 403 . 1 1 116 116 ASN H H 1 8.293 0.02 . 1 . . . . 116 ASN HN . 26028 1 404 . 1 1 116 116 ASN HD21 H 1 7.596 0.02 . 2 . . . . 116 ASN HD21 . 26028 1 405 . 1 1 116 116 ASN HD22 H 1 6.883 0.02 . 2 . . . . 116 ASN HD22 . 26028 1 406 . 1 1 116 116 ASN CA C 13 51.442 0.15 . 1 . . . . 116 ASN CA . 26028 1 407 . 1 1 116 116 ASN CB C 13 39.121 0.15 . 1 . . . . 116 ASN CB . 26028 1 408 . 1 1 116 116 ASN N N 15 121.827 0.1 . 1 . . . . 116 ASN N . 26028 1 409 . 1 1 116 116 ASN ND2 N 15 113.002 0.1 . 1 . . . . 116 ASN ND2 . 26028 1 410 . 1 1 117 117 PRO C C 13 176.686 0.15 . 1 . . . . 117 PRO C . 26028 1 411 . 1 1 117 117 PRO CA C 13 63.230 0.15 . 1 . . . . 117 PRO CA . 26028 1 412 . 1 1 117 117 PRO CB C 13 32.686 0.15 . 1 . . . . 117 PRO CB . 26028 1 413 . 1 1 117 117 PRO CD C 13 50.556 0.15 . 1 . . . . 117 PRO CD . 26028 1 414 . 1 1 117 117 PRO CG C 13 26.971 0.15 . 1 . . . . 117 PRO CG . 26028 1 415 . 1 1 118 118 VAL H H 1 8.097 0.02 . 1 . . . . 118 VAL HN . 26028 1 416 . 1 1 118 118 VAL C C 13 176.145 0.15 . 1 . . . . 118 VAL C . 26028 1 417 . 1 1 118 118 VAL CA C 13 62.134 0.15 . 1 . . . . 118 VAL CA . 26028 1 418 . 1 1 118 118 VAL CB C 13 32.686 0.15 . 1 . . . . 118 VAL CB . 26028 1 419 . 1 1 118 118 VAL CG1 C 13 20.908 0.15 . 2 . . . . 118 VAL CG1 . 26028 1 420 . 1 1 118 118 VAL N N 15 119.637 0.1 . 1 . . . . 118 VAL N . 26028 1 421 . 1 1 119 119 VAL H H 1 8.204 0.02 . 1 . . . . 119 VAL HN . 26028 1 422 . 1 1 119 119 VAL CA C 13 59.980 0.15 . 1 . . . . 119 VAL CA . 26028 1 423 . 1 1 119 119 VAL CB C 13 32.821 0.15 . 1 . . . . 119 VAL CB . 26028 1 424 . 1 1 119 119 VAL N N 15 125.958 0.1 . 1 . . . . 119 VAL N . 26028 1 425 . 1 1 120 120 PRO C C 13 177.104 0.15 . 1 . . . . 120 PRO C . 26028 1 426 . 1 1 120 120 PRO CA C 13 62.959 0.15 . 1 . . . . 120 PRO CA . 26028 1 427 . 1 1 120 120 PRO CB C 13 32.598 0.15 . 1 . . . . 120 PRO CB . 26028 1 428 . 1 1 120 120 PRO CG C 13 27.321 0.15 . 1 . . . . 120 PRO CG . 26028 1 429 . 1 1 121 121 GLU H H 1 8.646 0.02 . 1 . . . . 121 GLU HN . 26028 1 430 . 1 1 121 121 GLU CA C 13 59.302 0.15 . 1 . . . . 121 GLU CA . 26028 1 431 . 1 1 121 121 GLU CB C 13 29.938 0.15 . 1 . . . . 121 GLU CB . 26028 1 432 . 1 1 121 121 GLU N N 15 121.358 0.1 . 1 . . . . 121 GLU N . 26028 1 433 . 1 1 123 123 LYS CA C 13 55.294 0.15 . 1 . . . . 123 LYS CA . 26028 1 434 . 1 1 124 124 ARG H H 1 7.296 0.02 . 1 . . . . 124 ARG HN . 26028 1 435 . 1 1 124 124 ARG CA C 13 56.120 0.15 . 1 . . . . 124 ARG CA . 26028 1 436 . 1 1 124 124 ARG CB C 13 31.520 0.15 . 1 . . . . 124 ARG CB . 26028 1 437 . 1 1 124 124 ARG N N 15 119.824 0.1 . 1 . . . . 124 ARG N . 26028 1 438 . 1 1 125 125 PHE H H 1 8.421 0.02 . 1 . . . . 125 PHE HN . 26028 1 439 . 1 1 125 125 PHE CA C 13 56.302 0.15 . 1 . . . . 125 PHE CA . 26028 1 440 . 1 1 125 125 PHE CB C 13 42.312 0.15 . 1 . . . . 125 PHE CB . 26028 1 441 . 1 1 125 125 PHE N N 15 122.898 0.1 . 1 . . . . 125 PHE N . 26028 1 442 . 1 1 126 126 CYS H H 1 9.307 0.02 . 1 . . . . 126 CYS HN . 26028 1 443 . 1 1 126 126 CYS CA C 13 59.889 0.15 . 1 . . . . 126 CYS CA . 26028 1 444 . 1 1 126 126 CYS CB C 13 31.055 0.15 . 1 . . . . 126 CYS CB . 26028 1 445 . 1 1 126 126 CYS N N 15 125.209 0.1 . 1 . . . . 126 CYS N . 26028 1 446 . 1 1 127 127 TRP H H 1 8.091 0.02 . 1 . . . . 127 TRP HN . 26028 1 447 . 1 1 127 127 TRP HE1 H 1 10.429 0.02 . 1 . . . . 127 TRP HE1 . 26028 1 448 . 1 1 127 127 TRP CA C 13 58.283 0.15 . 1 . . . . 127 TRP CA . 26028 1 449 . 1 1 127 127 TRP CB C 13 28.423 0.15 . 1 . . . . 127 TRP CB . 26028 1 450 . 1 1 127 127 TRP N N 15 130.574 0.1 . 1 . . . . 127 TRP N . 26028 1 451 . 1 1 127 127 TRP NE1 N 15 129.996 0.1 . 1 . . . . 127 TRP NE1 . 26028 1 452 . 1 1 128 128 ASN H H 1 8.430 0.02 . 1 . . . . 128 ASN HN . 26028 1 453 . 1 1 128 128 ASN HD21 H 1 7.828 0.02 . 2 . . . . 128 ASN HD21 . 26028 1 454 . 1 1 128 128 ASN HD22 H 1 7.007 0.02 . 2 . . . . 128 ASN HD22 . 26028 1 455 . 1 1 128 128 ASN CA C 13 55.637 0.15 . 1 . . . . 128 ASN CA . 26028 1 456 . 1 1 128 128 ASN CB C 13 39.839 0.15 . 1 . . . . 128 ASN CB . 26028 1 457 . 1 1 128 128 ASN N N 15 123.263 0.1 . 1 . . . . 128 ASN N . 26028 1 458 . 1 1 128 128 ASN ND2 N 15 117.156 0.1 . 1 . . . . 128 ASN ND2 . 26028 1 459 . 1 1 129 129 CYS H H 1 8.754 0.02 . 1 . . . . 129 CYS HN . 26028 1 460 . 1 1 129 129 CYS CA C 13 58.934 0.15 . 1 . . . . 129 CYS CA . 26028 1 461 . 1 1 129 129 CYS CB C 13 32.474 0.15 . 1 . . . . 129 CYS CB . 26028 1 462 . 1 1 129 129 CYS N N 15 118.608 0.1 . 1 . . . . 129 CYS N . 26028 1 463 . 1 1 130 130 GLY H H 1 7.728 0.02 . 1 . . . . 130 GLY HN . 26028 1 464 . 1 1 130 130 GLY CA C 13 46.353 0.15 . 1 . . . . 130 GLY CA . 26028 1 465 . 1 1 130 130 GLY N N 15 111.982 0.1 . 1 . . . . 130 GLY N . 26028 1 466 . 1 1 131 131 ARG H H 1 8.110 0.02 . 1 . . . . 131 ARG HN . 26028 1 467 . 1 1 131 131 ARG CA C 13 55.685 0.15 . 1 . . . . 131 ARG CA . 26028 1 468 . 1 1 131 131 ARG CB C 13 29.617 0.15 . 1 . . . . 131 ARG CB . 26028 1 469 . 1 1 131 131 ARG N N 15 121.907 0.1 . 1 . . . . 131 ARG N . 26028 1 470 . 1 1 132 132 PRO CA C 13 63.644 0.15 . 1 . . . . 132 PRO CA . 26028 1 471 . 1 1 133 133 VAL H H 1 7.391 0.02 . 1 . . . . 133 VAL HN . 26028 1 472 . 1 1 133 133 VAL CA C 13 59.788 0.15 . 1 . . . . 133 VAL CA . 26028 1 473 . 1 1 133 133 VAL CB C 13 34.953 0.15 . 1 . . . . 133 VAL CB . 26028 1 474 . 1 1 133 133 VAL N N 15 115.754 0.1 . 1 . . . . 133 VAL N . 26028 1 475 . 1 1 134 134 GLY H H 1 8.237 0.02 . 1 . . . . 134 GLY HN . 26028 1 476 . 1 1 134 134 GLY CA C 13 46.500 0.15 . 1 . . . . 134 GLY CA . 26028 1 477 . 1 1 134 134 GLY N N 15 107.543 0.1 . 1 . . . . 134 GLY N . 26028 1 478 . 1 1 135 135 ARG H H 1 8.086 0.02 . 1 . . . . 135 ARG HN . 26028 1 479 . 1 1 135 135 ARG CA C 13 53.963 0.15 . 1 . . . . 135 ARG CA . 26028 1 480 . 1 1 135 135 ARG CB C 13 30.699 0.15 . 1 . . . . 135 ARG CB . 26028 1 481 . 1 1 135 135 ARG N N 15 116.059 0.1 . 1 . . . . 135 ARG N . 26028 1 482 . 1 1 136 136 SER C C 13 176.090 0.15 . 1 . . . . 136 SER C . 26028 1 483 . 1 1 136 136 SER CA C 13 58.753 0.15 . 1 . . . . 136 SER CA . 26028 1 484 . 1 1 136 136 SER CB C 13 63.758 0.15 . 1 . . . . 136 SER CB . 26028 1 485 . 1 1 137 137 ASP H H 1 8.490 0.02 . 1 . . . . 137 ASP HN . 26028 1 486 . 1 1 137 137 ASP C C 13 176.207 0.15 . 1 . . . . 137 ASP C . 26028 1 487 . 1 1 137 137 ASP CA C 13 54.041 0.15 . 1 . . . . 137 ASP CA . 26028 1 488 . 1 1 137 137 ASP CB C 13 41.368 0.15 . 1 . . . . 137 ASP CB . 26028 1 489 . 1 1 137 137 ASP N N 15 122.435 0.1 . 1 . . . . 137 ASP N . 26028 1 490 . 1 1 138 138 SER H H 1 8.163 0.02 . 1 . . . . 138 SER HN . 26028 1 491 . 1 1 138 138 SER C C 13 175.745 0.15 . 1 . . . . 138 SER C . 26028 1 492 . 1 1 138 138 SER CA C 13 59.680 0.15 . 1 . . . . 138 SER CA . 26028 1 493 . 1 1 138 138 SER N N 15 113.964 0.1 . 1 . . . . 138 SER N . 26028 1 494 . 1 1 139 139 GLU H H 1 8.452 0.02 . 1 . . . . 139 GLU HN . 26028 1 495 . 1 1 139 139 GLU C C 13 176.871 0.15 . 1 . . . . 139 GLU C . 26028 1 496 . 1 1 139 139 GLU CA C 13 57.272 0.15 . 1 . . . . 139 GLU CA . 26028 1 497 . 1 1 139 139 GLU CB C 13 30.492 0.15 . 1 . . . . 139 GLU CB . 26028 1 498 . 1 1 139 139 GLU N N 15 121.038 0.1 . 1 . . . . 139 GLU N . 26028 1 499 . 1 1 140 140 THR H H 1 8.141 0.02 . 1 . . . . 140 THR HN . 26028 1 500 . 1 1 140 140 THR C C 13 174.710 0.15 . 1 . . . . 140 THR C . 26028 1 501 . 1 1 140 140 THR CA C 13 61.955 0.15 . 1 . . . . 140 THR CA . 26028 1 502 . 1 1 140 140 THR CB C 13 70.171 0.15 . 1 . . . . 140 THR CB . 26028 1 503 . 1 1 140 140 THR CG2 C 13 21.700 0.15 . 1 . . . . 140 THR CG2 . 26028 1 504 . 1 1 140 140 THR N N 15 114.224 0.1 . 1 . . . . 140 THR N . 26028 1 505 . 1 1 141 141 LYS H H 1 8.341 0.02 . 1 . . . . 141 LYS HN . 26028 1 506 . 1 1 141 141 LYS CA C 13 56.247 0.15 . 1 . . . . 141 LYS CA . 26028 1 507 . 1 1 141 141 LYS CB C 13 32.548 0.15 . 1 . . . . 141 LYS CB . 26028 1 508 . 1 1 141 141 LYS N N 15 123.611 0.1 . 1 . . . . 141 LYS N . 26028 1 509 . 1 1 142 142 GLY H H 1 8.388 0.02 . 1 . . . . 142 GLY HN . 26028 1 510 . 1 1 142 142 GLY C C 13 175.930 0.15 . 1 . . . . 142 GLY C . 26028 1 511 . 1 1 142 142 GLY CA C 13 45.263 0.15 . 1 . . . . 142 GLY CA . 26028 1 512 . 1 1 142 142 GLY N N 15 110.254 0.1 . 1 . . . . 142 GLY N . 26028 1 513 . 1 1 143 143 ALA H H 1 8.264 0.02 . 1 . . . . 143 ALA HN . 26028 1 514 . 1 1 143 143 ALA CA C 13 52.510 0.15 . 1 . . . . 143 ALA CA . 26028 1 515 . 1 1 143 143 ALA CB C 13 19.402 0.15 . 1 . . . . 143 ALA CB . 26028 1 516 . 1 1 143 143 ALA N N 15 125.532 0.1 . 1 . . . . 143 ALA N . 26028 1 517 . 1 1 144 144 SER CA C 13 59.362 0.15 . 1 . . . . 144 SER CA . 26028 1 518 . 1 1 144 144 SER CB C 13 64.115 0.15 . 1 . . . . 144 SER CB . 26028 1 519 . 1 1 145 145 GLU H H 1 7.757 0.02 . 1 . . . . 145 GLU HN . 26028 1 520 . 1 1 145 145 GLU CA C 13 55.134 0.15 . 1 . . . . 145 GLU CA . 26028 1 521 . 1 1 145 145 GLU CB C 13 32.345 0.15 . 1 . . . . 145 GLU CB . 26028 1 522 . 1 1 145 145 GLU N N 15 119.067 0.1 . 1 . . . . 145 GLU N . 26028 1 523 . 1 1 146 146 GLY H H 1 6.927 0.02 . 1 . . . . 146 GLY HN . 26028 1 524 . 1 1 146 146 GLY C C 13 176.571 0.15 . 1 . . . . 146 GLY C . 26028 1 525 . 1 1 146 146 GLY CA C 13 45.469 0.15 . 1 . . . . 146 GLY CA . 26028 1 526 . 1 1 146 146 GLY N N 15 108.096 0.1 . 1 . . . . 146 GLY N . 26028 1 527 . 1 1 147 147 TRP H H 1 8.363 0.02 . 1 . . . . 147 TRP HN . 26028 1 528 . 1 1 147 147 TRP HE1 H 1 10.185 0.02 . 1 . . . . 147 TRP HE1 . 26028 1 529 . 1 1 147 147 TRP CA C 13 56.751 0.15 . 1 . . . . 147 TRP CA . 26028 1 530 . 1 1 147 147 TRP CB C 13 31.495 0.15 . 1 . . . . 147 TRP CB . 26028 1 531 . 1 1 147 147 TRP N N 15 121.870 0.1 . 1 . . . . 147 TRP N . 26028 1 532 . 1 1 147 147 TRP NE1 N 15 129.424 0.1 . 1 . . . . 147 TRP NE1 . 26028 1 533 . 1 1 148 148 CYS H H 1 9.387 0.02 . 1 . . . . 148 CYS HN . 26028 1 534 . 1 1 148 148 CYS CA C 13 56.908 0.15 . 1 . . . . 148 CYS CA . 26028 1 535 . 1 1 148 148 CYS CB C 13 31.969 0.15 . 1 . . . . 148 CYS CB . 26028 1 536 . 1 1 148 148 CYS N N 15 128.204 0.1 . 1 . . . . 148 CYS N . 26028 1 537 . 1 1 149 149 PRO C C 13 176.251 0.15 . 1 . . . . 149 PRO C . 26028 1 538 . 1 1 149 149 PRO CA C 13 64.121 0.15 . 1 . . . . 149 PRO CA . 26028 1 539 . 1 1 149 149 PRO CB C 13 32.031 0.15 . 1 . . . . 149 PRO CB . 26028 1 540 . 1 1 149 149 PRO CG C 13 26.529 0.15 . 1 . . . . 149 PRO CG . 26028 1 541 . 1 1 150 150 TYR H H 1 9.230 0.02 . 1 . . . . 150 TYR HN . 26028 1 542 . 1 1 150 150 TYR C C 13 177.042 0.15 . 1 . . . . 150 TYR C . 26028 1 543 . 1 1 150 150 TYR CA C 13 60.017 0.15 . 1 . . . . 150 TYR CA . 26028 1 544 . 1 1 150 150 TYR CB C 13 39.276 0.15 . 1 . . . . 150 TYR CB . 26028 1 545 . 1 1 150 150 TYR N N 15 121.597 0.1 . 1 . . . . 150 TYR N . 26028 1 546 . 1 1 151 151 CYS H H 1 8.889 0.02 . 1 . . . . 151 CYS HN . 26028 1 547 . 1 1 151 151 CYS CA C 13 58.231 0.15 . 1 . . . . 151 CYS CA . 26028 1 548 . 1 1 151 151 CYS CB C 13 32.572 0.15 . 1 . . . . 151 CYS CB . 26028 1 549 . 1 1 151 151 CYS N N 15 118.301 0.1 . 1 . . . . 151 CYS N . 26028 1 550 . 1 1 152 152 GLY H H 1 8.068 0.02 . 1 . . . . 152 GLY HN . 26028 1 551 . 1 1 152 152 GLY C C 13 174.387 0.15 . 1 . . . . 152 GLY C . 26028 1 552 . 1 1 152 152 GLY CA C 13 46.281 0.15 . 1 . . . . 152 GLY CA . 26028 1 553 . 1 1 152 152 GLY N N 15 113.419 0.1 . 1 . . . . 152 GLY N . 26028 1 554 . 1 1 153 153 SER H H 1 8.628 0.02 . 1 . . . . 153 SER HN . 26028 1 555 . 1 1 153 153 SER CA C 13 59.454 0.15 . 1 . . . . 153 SER CA . 26028 1 556 . 1 1 153 153 SER CB C 13 62.284 0.15 . 1 . . . . 153 SER CB . 26028 1 557 . 1 1 153 153 SER N N 15 120.049 0.1 . 1 . . . . 153 SER N . 26028 1 558 . 1 1 154 154 PRO C C 13 176.718 0.15 . 1 . . . . 154 PRO C . 26028 1 559 . 1 1 154 154 PRO CA C 13 62.727 0.15 . 1 . . . . 154 PRO CA . 26028 1 560 . 1 1 154 154 PRO CB C 13 32.118 0.15 . 1 . . . . 154 PRO CB . 26028 1 561 . 1 1 155 155 TYR H H 1 8.184 0.02 . 1 . . . . 155 TYR HN . 26028 1 562 . 1 1 155 155 TYR C C 13 176.959 0.15 . 1 . . . . 155 TYR C . 26028 1 563 . 1 1 155 155 TYR CA C 13 56.226 0.15 . 1 . . . . 155 TYR CA . 26028 1 564 . 1 1 155 155 TYR CB C 13 40.789 0.15 . 1 . . . . 155 TYR CB . 26028 1 565 . 1 1 155 155 TYR N N 15 118.505 0.1 . 1 . . . . 155 TYR N . 26028 1 566 . 1 1 156 156 SER H H 1 8.099 0.02 . 1 . . . . 156 SER HN . 26028 1 567 . 1 1 156 156 SER CA C 13 57.780 0.15 . 1 . . . . 156 SER CA . 26028 1 568 . 1 1 156 156 SER CB C 13 64.007 0.15 . 1 . . . . 156 SER CB . 26028 1 569 . 1 1 156 156 SER N N 15 113.706 0.1 . 1 . . . . 156 SER N . 26028 1 570 . 1 1 157 157 PHE H H 1 8.806 0.02 . 1 . . . . 157 PHE HN . 26028 1 571 . 1 1 157 157 PHE C C 13 174.870 0.15 . 1 . . . . 157 PHE C . 26028 1 572 . 1 1 157 157 PHE CA C 13 57.182 0.15 . 1 . . . . 157 PHE CA . 26028 1 573 . 1 1 157 157 PHE CB C 13 39.708 0.15 . 1 . . . . 157 PHE CB . 26028 1 574 . 1 1 157 157 PHE N N 15 124.766 0.1 . 1 . . . . 157 PHE N . 26028 1 575 . 1 1 158 158 LEU H H 1 7.960 0.02 . 1 . . . . 158 LEU HN . 26028 1 576 . 1 1 158 158 LEU CA C 13 52.984 0.15 . 1 . . . . 158 LEU CA . 26028 1 577 . 1 1 158 158 LEU CB C 13 41.710 0.15 . 1 . . . . 158 LEU CB . 26028 1 578 . 1 1 158 158 LEU N N 15 123.191 0.1 . 1 . . . . 158 LEU N . 26028 1 579 . 1 1 159 159 PRO C C 13 176.533 0.15 . 1 . . . . 159 PRO C . 26028 1 580 . 1 1 159 159 PRO CA C 13 63.066 0.15 . 1 . . . . 159 PRO CA . 26028 1 581 . 1 1 159 159 PRO CB C 13 32.103 0.15 . 1 . . . . 159 PRO CB . 26028 1 582 . 1 1 159 159 PRO CD C 13 50.489 0.15 . 1 . . . . 159 PRO CD . 26028 1 583 . 1 1 159 159 PRO CG C 13 27.261 0.15 . 1 . . . . 159 PRO CG . 26028 1 584 . 1 1 160 160 GLN H H 1 8.408 0.02 . 1 . . . . 160 GLN HN . 26028 1 585 . 1 1 160 160 GLN HE21 H 1 7.508 0.02 . 2 . . . . 160 GLN HE21 . 26028 1 586 . 1 1 160 160 GLN HE22 H 1 6.833 0.02 . 2 . . . . 160 GLN HE22 . 26028 1 587 . 1 1 160 160 GLN C C 13 175.665 0.15 . 1 . . . . 160 GLN C . 26028 1 588 . 1 1 160 160 GLN CA C 13 55.459 0.15 . 1 . . . . 160 GLN CA . 26028 1 589 . 1 1 160 160 GLN CB C 13 29.694 0.15 . 1 . . . . 160 GLN CB . 26028 1 590 . 1 1 160 160 GLN CG C 13 33.732 0.15 . 1 . . . . 160 GLN CG . 26028 1 591 . 1 1 160 160 GLN N N 15 120.568 0.1 . 1 . . . . 160 GLN N . 26028 1 592 . 1 1 160 160 GLN NE2 N 15 112.671 0.1 . 1 . . . . 160 GLN NE2 . 26028 1 593 . 1 1 161 161 LEU H H 1 8.253 0.02 . 1 . . . . 161 LEU HN . 26028 1 594 . 1 1 161 161 LEU C C 13 176.691 0.15 . 1 . . . . 161 LEU C . 26028 1 595 . 1 1 161 161 LEU CA C 13 55.007 0.15 . 1 . . . . 161 LEU CA . 26028 1 596 . 1 1 161 161 LEU CB C 13 42.671 0.15 . 1 . . . . 161 LEU CB . 26028 1 597 . 1 1 161 161 LEU CD1 C 13 24.930 0.15 . 2 . . . . 161 LEU CD1 . 26028 1 598 . 1 1 161 161 LEU CD2 C 13 23.316 0.15 . 2 . . . . 161 LEU CD2 . 26028 1 599 . 1 1 161 161 LEU CG C 13 26.942 0.15 . 1 . . . . 161 LEU CG . 26028 1 600 . 1 1 161 161 LEU N N 15 123.938 0.1 . 1 . . . . 161 LEU N . 26028 1 601 . 1 1 162 162 ASN H H 1 8.610 0.02 . 1 . . . . 162 ASN HN . 26028 1 602 . 1 1 162 162 ASN HD21 H 1 7.682 0.02 . 2 . . . . 162 ASN HD21 . 26028 1 603 . 1 1 162 162 ASN HD22 H 1 6.934 0.02 . 2 . . . . 162 ASN HD22 . 26028 1 604 . 1 1 162 162 ASN CA C 13 51.224 0.15 . 1 . . . . 162 ASN CA . 26028 1 605 . 1 1 162 162 ASN CB C 13 38.966 0.15 . 1 . . . . 162 ASN CB . 26028 1 606 . 1 1 162 162 ASN N N 15 120.933 0.1 . 1 . . . . 162 ASN N . 26028 1 607 . 1 1 162 162 ASN ND2 N 15 113.919 0.1 . 1 . . . . 162 ASN ND2 . 26028 1 608 . 1 1 163 163 PRO C C 13 177.569 0.15 . 1 . . . . 163 PRO C . 26028 1 609 . 1 1 163 163 PRO CA C 13 64.037 0.15 . 1 . . . . 163 PRO CA . 26028 1 610 . 1 1 163 163 PRO CB C 13 31.856 0.15 . 1 . . . . 163 PRO CB . 26028 1 611 . 1 1 163 163 PRO CD C 13 50.615 0.15 . 1 . . . . 163 PRO CD . 26028 1 612 . 1 1 163 163 PRO CG C 13 27.191 0.15 . 1 . . . . 163 PRO CG . 26028 1 613 . 1 1 164 164 GLY H H 1 8.389 0.02 . 1 . . . . 164 GLY HN . 26028 1 614 . 1 1 164 164 GLY C C 13 174.004 0.15 . 1 . . . . 164 GLY C . 26028 1 615 . 1 1 164 164 GLY CA C 13 45.146 0.15 . 1 . . . . 164 GLY CA . 26028 1 616 . 1 1 164 164 GLY N N 15 108.203 0.1 . 1 . . . . 164 GLY N . 26028 1 617 . 1 1 165 165 ASP H H 1 8.027 0.02 . 1 . . . . 165 ASP HN . 26028 1 618 . 1 1 165 165 ASP C C 13 176.056 0.15 . 1 . . . . 165 ASP C . 26028 1 619 . 1 1 165 165 ASP CA C 13 54.558 0.15 . 1 . . . . 165 ASP CA . 26028 1 620 . 1 1 165 165 ASP CB C 13 41.338 0.15 . 1 . . . . 165 ASP CB . 26028 1 621 . 1 1 165 165 ASP N N 15 120.297 0.1 . 1 . . . . 165 ASP N . 26028 1 622 . 1 1 166 166 ILE H H 1 7.977 0.02 . 1 . . . . 166 ILE HN . 26028 1 623 . 1 1 166 166 ILE C C 13 175.424 0.15 . 1 . . . . 166 ILE C . 26028 1 624 . 1 1 166 166 ILE CA C 13 61.329 0.15 . 1 . . . . 166 ILE CA . 26028 1 625 . 1 1 166 166 ILE CB C 13 38.689 0.15 . 1 . . . . 166 ILE CB . 26028 1 626 . 1 1 166 166 ILE CD1 C 13 12.695 0.15 . 1 . . . . 166 ILE CD1 . 26028 1 627 . 1 1 166 166 ILE CG1 C 13 27.071 0.15 . 1 . . . . 166 ILE CG1 . 26028 1 628 . 1 1 166 166 ILE CG2 C 13 17.438 0.15 . 1 . . . . 166 ILE CG2 . 26028 1 629 . 1 1 166 166 ILE N N 15 120.766 0.1 . 1 . . . . 166 ILE N . 26028 1 630 . 1 1 167 167 VAL H H 1 7.685 0.02 . 1 . . . . 167 VAL HN . 26028 1 631 . 1 1 167 167 VAL CA C 13 63.678 0.15 . 1 . . . . 167 VAL CA . 26028 1 632 . 1 1 167 167 VAL CB C 13 33.351 0.15 . 1 . . . . 167 VAL CB . 26028 1 633 . 1 1 167 167 VAL N N 15 128.484 0.1 . 1 . . . . 167 VAL N . 26028 1 stop_ save_