data_17998 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17998 _Entry.Title ; Resonance assignments of the PPIase domain of FKBP42 from Arabidopsis thaliana ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-10-14 _Entry.Accession_date 2011-10-14 _Entry.Last_release_date 2012-10-01 _Entry.Original_release_date 2012-10-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Noelia Burgardt . I. . 17998 2 Miriam Linnert . . . 17998 3 Matthias Weiwad . . . 17998 4 Markus Geisler . . . 17998 5 Christian Luecke . . . 17998 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17998 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 682 17998 '15N chemical shifts' 170 17998 '1H chemical shifts' 170 17998 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 . . 2012-10-01 2011-10-14 original author . 17998 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2F4E 'FKBP42 domain X-ray structure' 17998 PDB 2IF4 'FKBP42 X-ray structure' 17998 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17998 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22198817 _Citation.Full_citation . _Citation.Title 'NMR assignments of the FKBP-type PPIase domain of FKBP42 from Arabidopsis thaliana' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 6 _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 185 _Citation.Page_last 188 _Citation.Year 2012 _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 Noelia Burgardt . I. . 17998 1 2 Miriam Linnert . . . 17998 1 3 Matthias Weiwad . . . 17998 1 4 Markus Geisler . . . 17998 1 5 Christian Luecke . . . 17998 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'FK506-binding protein' 17998 1 'PPIase domain' 17998 1 'signal transduction' 17998 1 'twisted dwarf 1' 17998 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17998 _Assembly.ID 1 _Assembly.Name FKBP42 _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 . _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 FKBP42 1 $FKBP42 A . yes native no no . . . 17998 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FKBP42 _Entity.Sf_category entity _Entity.Sf_framecode FKBP42 _Entity.Entry_ID 17998 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FKBP42 _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 ; MDESLEHQTQTHDQESEIVT EGSAVVHSEPSQEGNVPPKV DSEAEVLDEKVSKQIIKEGH GSKPSKYSTCFLHYRAWTKN SQHKFEDTWHEQQPIELVLG KEKKELAGLAIGVASMKSGE RALVHVGWELAYGKEGNFSF PNVPPMADLLYEVEVIGFDE TKEGKARSDMTVEERIGAAD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 180 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 no PDB 2F4E . "N-Terminal Domain Of Fkbp42 From Arabidopsis Thaliana" . . . . . 100.00 180 100.00 100.00 8.02e-128 . . . . 17998 1 2 no PDB 2IF4 . "Crystal Structure Of A Multi-Domain Immunophilin From Arabidopsis Thaliana" . . . . . 100.00 338 100.00 100.00 2.00e-127 . . . . 17998 1 3 no DBJ BAB02359 . "unnamed protein product [Arabidopsis thaliana]" . . . . . 100.00 365 100.00 100.00 2.41e-126 . . . . 17998 1 4 no EMBL CAC00654 . "FKBP-like [Arabidopsis thaliana]" . . . . . 100.00 365 100.00 100.00 2.41e-126 . . . . 17998 1 5 no GB AAM13008 . "FKBP-type peptidyl-prolyl cis-trans isomerases, putative [Arabidopsis thaliana]" . . . . . 100.00 365 99.44 99.44 2.68e-125 . . . . 17998 1 6 no GB AAN65079 . "FKBP-type peptidyl-prolyl cis-trans isomerases, putative [Arabidopsis thaliana]" . . . . . 100.00 365 99.44 99.44 2.68e-125 . . . . 17998 1 7 no GB AEE76533 . "putative peptidyl-prolyl cis-trans isomerase FKBP42 [Arabidopsis thaliana]" . . . . . 100.00 365 100.00 100.00 2.41e-126 . . . . 17998 1 8 no REF NP_188801 . "putative peptidyl-prolyl cis-trans isomerase FKBP42 [Arabidopsis thaliana]" . . . . . 100.00 365 100.00 100.00 2.41e-126 . . . . 17998 1 9 no SP Q9LDC0 . "RecName: Full=Peptidyl-prolyl cis-trans isomerase FKBP42; Short=PPIase FKBP42; AltName: Full=42 kDa peptidyl-prolyl isomerase; " . . . . . 100.00 365 100.00 100.00 2.41e-126 . . . . 17998 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 . MET . 17998 1 2 . ASP . 17998 1 3 . GLU . 17998 1 4 . SER . 17998 1 5 . LEU . 17998 1 6 . GLU . 17998 1 7 . HIS . 17998 1 8 . GLN . 17998 1 9 . THR . 17998 1 10 . GLN . 17998 1 11 . THR . 17998 1 12 . HIS . 17998 1 13 . ASP . 17998 1 14 . GLN . 17998 1 15 . GLU . 17998 1 16 . SER . 17998 1 17 . GLU . 17998 1 18 . ILE . 17998 1 19 . VAL . 17998 1 20 . THR . 17998 1 21 . GLU . 17998 1 22 . GLY . 17998 1 23 . SER . 17998 1 24 . ALA . 17998 1 25 . VAL . 17998 1 26 . VAL . 17998 1 27 . HIS . 17998 1 28 . SER . 17998 1 29 . GLU . 17998 1 30 . PRO . 17998 1 31 . SER . 17998 1 32 . GLN . 17998 1 33 . GLU . 17998 1 34 . GLY . 17998 1 35 . ASN . 17998 1 36 . VAL . 17998 1 37 . PRO . 17998 1 38 . PRO . 17998 1 39 . LYS . 17998 1 40 . VAL . 17998 1 41 . ASP . 17998 1 42 . SER . 17998 1 43 . GLU . 17998 1 44 . ALA . 17998 1 45 . GLU . 17998 1 46 . VAL . 17998 1 47 . LEU . 17998 1 48 . ASP . 17998 1 49 . GLU . 17998 1 50 . LYS . 17998 1 51 . VAL . 17998 1 52 . SER . 17998 1 53 . LYS . 17998 1 54 . GLN . 17998 1 55 . ILE . 17998 1 56 . ILE . 17998 1 57 . LYS . 17998 1 58 . GLU . 17998 1 59 . GLY . 17998 1 60 . HIS . 17998 1 61 . GLY . 17998 1 62 . SER . 17998 1 63 . LYS . 17998 1 64 . PRO . 17998 1 65 . SER . 17998 1 66 . LYS . 17998 1 67 . TYR . 17998 1 68 . SER . 17998 1 69 . THR . 17998 1 70 . CYS . 17998 1 71 . PHE . 17998 1 72 . LEU . 17998 1 73 . HIS . 17998 1 74 . TYR . 17998 1 75 . ARG . 17998 1 76 . ALA . 17998 1 77 . TRP . 17998 1 78 . THR . 17998 1 79 . LYS . 17998 1 80 . ASN . 17998 1 81 . SER . 17998 1 82 . GLN . 17998 1 83 . HIS . 17998 1 84 . LYS . 17998 1 85 . PHE . 17998 1 86 . GLU . 17998 1 87 . ASP . 17998 1 88 . THR . 17998 1 89 . TRP . 17998 1 90 . HIS . 17998 1 91 . GLU . 17998 1 92 . GLN . 17998 1 93 . GLN . 17998 1 94 . PRO . 17998 1 95 . ILE . 17998 1 96 . GLU . 17998 1 97 . LEU . 17998 1 98 . VAL . 17998 1 99 . LEU . 17998 1 100 . GLY . 17998 1 101 . LYS . 17998 1 102 . GLU . 17998 1 103 . LYS . 17998 1 104 . LYS . 17998 1 105 . GLU . 17998 1 106 . LEU . 17998 1 107 . ALA . 17998 1 108 . GLY . 17998 1 109 . LEU . 17998 1 110 . ALA . 17998 1 111 . ILE . 17998 1 112 . GLY . 17998 1 113 . VAL . 17998 1 114 . ALA . 17998 1 115 . SER . 17998 1 116 . MET . 17998 1 117 . LYS . 17998 1 118 . SER . 17998 1 119 . GLY . 17998 1 120 . GLU . 17998 1 121 . ARG . 17998 1 122 . ALA . 17998 1 123 . LEU . 17998 1 124 . VAL . 17998 1 125 . HIS . 17998 1 126 . VAL . 17998 1 127 . GLY . 17998 1 128 . TRP . 17998 1 129 . GLU . 17998 1 130 . LEU . 17998 1 131 . ALA . 17998 1 132 . TYR . 17998 1 133 . GLY . 17998 1 134 . LYS . 17998 1 135 . GLU . 17998 1 136 . GLY . 17998 1 137 . ASN . 17998 1 138 . PHE . 17998 1 139 . SER . 17998 1 140 . PHE . 17998 1 141 . PRO . 17998 1 142 . ASN . 17998 1 143 . VAL . 17998 1 144 . PRO . 17998 1 145 . PRO . 17998 1 146 . MET . 17998 1 147 . ALA . 17998 1 148 . ASP . 17998 1 149 . LEU . 17998 1 150 . LEU . 17998 1 151 . TYR . 17998 1 152 . GLU . 17998 1 153 . VAL . 17998 1 154 . GLU . 17998 1 155 . VAL . 17998 1 156 . ILE . 17998 1 157 . GLY . 17998 1 158 . PHE . 17998 1 159 . ASP . 17998 1 160 . GLU . 17998 1 161 . THR . 17998 1 162 . LYS . 17998 1 163 . GLU . 17998 1 164 . GLY . 17998 1 165 . LYS . 17998 1 166 . ALA . 17998 1 167 . ARG . 17998 1 168 . SER . 17998 1 169 . ASP . 17998 1 170 . MET . 17998 1 171 . THR . 17998 1 172 . VAL . 17998 1 173 . GLU . 17998 1 174 . GLU . 17998 1 175 . ARG . 17998 1 176 . ILE . 17998 1 177 . GLY . 17998 1 178 . ALA . 17998 1 179 . ALA . 17998 1 180 . ASP . 17998 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 17998 1 . ASP 2 2 17998 1 . GLU 3 3 17998 1 . SER 4 4 17998 1 . LEU 5 5 17998 1 . GLU 6 6 17998 1 . HIS 7 7 17998 1 . GLN 8 8 17998 1 . THR 9 9 17998 1 . GLN 10 10 17998 1 . THR 11 11 17998 1 . HIS 12 12 17998 1 . ASP 13 13 17998 1 . GLN 14 14 17998 1 . GLU 15 15 17998 1 . SER 16 16 17998 1 . GLU 17 17 17998 1 . ILE 18 18 17998 1 . VAL 19 19 17998 1 . THR 20 20 17998 1 . GLU 21 21 17998 1 . GLY 22 22 17998 1 . SER 23 23 17998 1 . ALA 24 24 17998 1 . VAL 25 25 17998 1 . VAL 26 26 17998 1 . HIS 27 27 17998 1 . SER 28 28 17998 1 . GLU 29 29 17998 1 . PRO 30 30 17998 1 . SER 31 31 17998 1 . GLN 32 32 17998 1 . GLU 33 33 17998 1 . GLY 34 34 17998 1 . ASN 35 35 17998 1 . VAL 36 36 17998 1 . PRO 37 37 17998 1 . PRO 38 38 17998 1 . LYS 39 39 17998 1 . VAL 40 40 17998 1 . ASP 41 41 17998 1 . SER 42 42 17998 1 . GLU 43 43 17998 1 . ALA 44 44 17998 1 . GLU 45 45 17998 1 . VAL 46 46 17998 1 . LEU 47 47 17998 1 . ASP 48 48 17998 1 . GLU 49 49 17998 1 . LYS 50 50 17998 1 . VAL 51 51 17998 1 . SER 52 52 17998 1 . LYS 53 53 17998 1 . GLN 54 54 17998 1 . ILE 55 55 17998 1 . ILE 56 56 17998 1 . LYS 57 57 17998 1 . GLU 58 58 17998 1 . GLY 59 59 17998 1 . HIS 60 60 17998 1 . GLY 61 61 17998 1 . SER 62 62 17998 1 . LYS 63 63 17998 1 . PRO 64 64 17998 1 . SER 65 65 17998 1 . LYS 66 66 17998 1 . TYR 67 67 17998 1 . SER 68 68 17998 1 . THR 69 69 17998 1 . CYS 70 70 17998 1 . PHE 71 71 17998 1 . LEU 72 72 17998 1 . HIS 73 73 17998 1 . TYR 74 74 17998 1 . ARG 75 75 17998 1 . ALA 76 76 17998 1 . TRP 77 77 17998 1 . THR 78 78 17998 1 . LYS 79 79 17998 1 . ASN 80 80 17998 1 . SER 81 81 17998 1 . GLN 82 82 17998 1 . HIS 83 83 17998 1 . LYS 84 84 17998 1 . PHE 85 85 17998 1 . GLU 86 86 17998 1 . ASP 87 87 17998 1 . THR 88 88 17998 1 . TRP 89 89 17998 1 . HIS 90 90 17998 1 . GLU 91 91 17998 1 . GLN 92 92 17998 1 . GLN 93 93 17998 1 . PRO 94 94 17998 1 . ILE 95 95 17998 1 . GLU 96 96 17998 1 . LEU 97 97 17998 1 . VAL 98 98 17998 1 . LEU 99 99 17998 1 . GLY 100 100 17998 1 . LYS 101 101 17998 1 . GLU 102 102 17998 1 . LYS 103 103 17998 1 . LYS 104 104 17998 1 . GLU 105 105 17998 1 . LEU 106 106 17998 1 . ALA 107 107 17998 1 . GLY 108 108 17998 1 . LEU 109 109 17998 1 . ALA 110 110 17998 1 . ILE 111 111 17998 1 . GLY 112 112 17998 1 . VAL 113 113 17998 1 . ALA 114 114 17998 1 . SER 115 115 17998 1 . MET 116 116 17998 1 . LYS 117 117 17998 1 . SER 118 118 17998 1 . GLY 119 119 17998 1 . GLU 120 120 17998 1 . ARG 121 121 17998 1 . ALA 122 122 17998 1 . LEU 123 123 17998 1 . VAL 124 124 17998 1 . HIS 125 125 17998 1 . VAL 126 126 17998 1 . GLY 127 127 17998 1 . TRP 128 128 17998 1 . GLU 129 129 17998 1 . LEU 130 130 17998 1 . ALA 131 131 17998 1 . TYR 132 132 17998 1 . GLY 133 133 17998 1 . LYS 134 134 17998 1 . GLU 135 135 17998 1 . GLY 136 136 17998 1 . ASN 137 137 17998 1 . PHE 138 138 17998 1 . SER 139 139 17998 1 . PHE 140 140 17998 1 . PRO 141 141 17998 1 . ASN 142 142 17998 1 . VAL 143 143 17998 1 . PRO 144 144 17998 1 . PRO 145 145 17998 1 . MET 146 146 17998 1 . ALA 147 147 17998 1 . ASP 148 148 17998 1 . LEU 149 149 17998 1 . LEU 150 150 17998 1 . TYR 151 151 17998 1 . GLU 152 152 17998 1 . VAL 153 153 17998 1 . GLU 154 154 17998 1 . VAL 155 155 17998 1 . ILE 156 156 17998 1 . GLY 157 157 17998 1 . PHE 158 158 17998 1 . ASP 159 159 17998 1 . GLU 160 160 17998 1 . THR 161 161 17998 1 . LYS 162 162 17998 1 . GLU 163 163 17998 1 . GLY 164 164 17998 1 . LYS 165 165 17998 1 . ALA 166 166 17998 1 . ARG 167 167 17998 1 . SER 168 168 17998 1 . ASP 169 169 17998 1 . MET 170 170 17998 1 . THR 171 171 17998 1 . VAL 172 172 17998 1 . GLU 173 173 17998 1 . GLU 174 174 17998 1 . ARG 175 175 17998 1 . ILE 176 176 17998 1 . GLY 177 177 17998 1 . ALA 178 178 17998 1 . ALA 179 179 17998 1 . ASP 180 180 17998 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17998 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $FKBP42 . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . . . . . . . . . 17998 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 17998 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $FKBP42 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pET28a . . . . . . 17998 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17998 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 FKBP42 [U-15N] . . 1 $FKBP42 . . 0.7 . . mM . . . . 17998 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 17998 1 3 'sodium azide' 'natural abundance' . . . . . . 0.05 . . mM . . . . 17998 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17998 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 FKBP42 '[U-13C; U-15N]' . . 1 $FKBP42 . . 2 . . mM . . . . 17998 2 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 17998 2 3 'sodium azide' 'natural abundance' . . . . . . 0.05 . . mM . . . . 17998 2 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 17998 _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' 10 . mM 17998 1 pH 7.0 . pH 17998 1 pressure 1 . atm 17998 1 temperature 298 . K 17998 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 17998 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17998 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17998 1 processing 17998 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17998 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17998 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17998 2 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 17998 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 17998 _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 17998 _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 DRX . 500 . . . 17998 1 2 spectrometer_2 Bruker Avance . 800 . . . 17998 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 17998 _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 . . . . . . . . . . . . . . . . 17998 1 2 '2D 1H-15N TROSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17998 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17998 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17998 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17998 1 6 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17998 1 7 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17998 1 8 '3D CC(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17998 1 9 '3D H(CC)(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17998 1 10 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17998 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 17998 _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 . . . . . . . . . 17998 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17998 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17998 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 17998 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _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 4 '3D HNCA' . . . 17998 1 5 '3D HNCACB' . . . 17998 1 6 '3D HNCO' . . . 17998 1 7 '3D HN(CA)CO' . . . 17998 1 8 '3D CC(CO)NH' . . . 17998 1 9 '3D H(CC)(CO)NH' . . . 17998 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 ASP C C 13 176.0 0.1 . 1 . . . . 2 ASP C . 17998 1 2 . 1 1 2 2 ASP CA C 13 54.5 0.1 . 1 . . . . 2 ASP CA . 17998 1 3 . 1 1 2 2 ASP CB C 13 41.1 0.1 . 1 . . . . 2 ASP CB . 17998 1 4 . 1 1 3 3 GLU H H 1 8.68 0.01 . 1 . . . . 3 GLU H . 17998 1 5 . 1 1 3 3 GLU C C 13 176.7 0.1 . 1 . . . . 3 GLU C . 17998 1 6 . 1 1 3 3 GLU CA C 13 57.2 0.1 . 1 . . . . 3 GLU CA . 17998 1 7 . 1 1 3 3 GLU CB C 13 30.0 0.1 . 1 . . . . 3 GLU CB . 17998 1 8 . 1 1 3 3 GLU CG C 13 36.4 0.1 . 1 . . . . 3 GLU CG . 17998 1 9 . 1 1 3 3 GLU N N 15 122.8 0.1 . 1 . . . . 3 GLU N . 17998 1 10 . 1 1 4 4 SER H H 1 8.43 0.01 . 1 . . . . 4 SER H . 17998 1 11 . 1 1 4 4 SER C C 13 174.9 0.1 . 1 . . . . 4 SER C . 17998 1 12 . 1 1 4 4 SER CA C 13 58.8 0.1 . 1 . . . . 4 SER CA . 17998 1 13 . 1 1 4 4 SER CB C 13 63.7 0.1 . 1 . . . . 4 SER CB . 17998 1 14 . 1 1 4 4 SER N N 15 116.6 0.1 . 1 . . . . 4 SER N . 17998 1 15 . 1 1 5 5 LEU H H 1 8.11 0.01 . 1 . . . . 5 LEU H . 17998 1 16 . 1 1 5 5 LEU C C 13 177.7 0.1 . 1 . . . . 5 LEU C . 17998 1 17 . 1 1 5 5 LEU CA C 13 55.4 0.1 . 1 . . . . 5 LEU CA . 17998 1 18 . 1 1 5 5 LEU CB C 13 42.2 0.1 . 1 . . . . 5 LEU CB . 17998 1 19 . 1 1 5 5 LEU CG C 13 27.0 0.1 . 1 . . . . 5 LEU CG . 17998 1 20 . 1 1 5 5 LEU CD1 C 13 25.0 0.1 . 2 . . . . 5 LEU CD1 . 17998 1 21 . 1 1 5 5 LEU CD2 C 13 23.3 0.1 . 2 . . . . 5 LEU CD2 . 17998 1 22 . 1 1 5 5 LEU N N 15 123.8 0.1 . 1 . . . . 5 LEU N . 17998 1 23 . 1 1 6 6 GLU H H 1 8.18 0.01 . 1 . . . . 6 GLU H . 17998 1 24 . 1 1 6 6 GLU C C 13 176.5 0.1 . 1 . . . . 6 GLU C . 17998 1 25 . 1 1 6 6 GLU CA C 13 57.0 0.1 . 1 . . . . 6 GLU CA . 17998 1 26 . 1 1 6 6 GLU CB C 13 30.1 0.1 . 1 . . . . 6 GLU CB . 17998 1 27 . 1 1 6 6 GLU CG C 13 36.2 0.1 . 1 . . . . 6 GLU CG . 17998 1 28 . 1 1 6 6 GLU N N 15 120.4 0.1 . 1 . . . . 6 GLU N . 17998 1 29 . 1 1 7 7 HIS H H 1 8.18 0.01 . 1 . . . . 7 HIS H . 17998 1 30 . 1 1 7 7 HIS C C 13 175.2 0.1 . 1 . . . . 7 HIS C . 17998 1 31 . 1 1 7 7 HIS CA C 13 56.1 0.1 . 1 . . . . 7 HIS CA . 17998 1 32 . 1 1 7 7 HIS CB C 13 30.2 0.1 . 1 . . . . 7 HIS CB . 17998 1 33 . 1 1 7 7 HIS N N 15 119.3 0.1 . 1 . . . . 7 HIS N . 17998 1 34 . 1 1 8 8 GLN H H 1 8.27 0.01 . 1 . . . . 8 GLN H . 17998 1 35 . 1 1 8 8 GLN C C 13 176.1 0.1 . 1 . . . . 8 GLN C . 17998 1 36 . 1 1 8 8 GLN CA C 13 55.8 0.1 . 1 . . . . 8 GLN CA . 17998 1 37 . 1 1 8 8 GLN CB C 13 29.3 0.1 . 1 . . . . 8 GLN CB . 17998 1 38 . 1 1 8 8 GLN CG C 13 33.8 0.1 . 1 . . . . 8 GLN CG . 17998 1 39 . 1 1 8 8 GLN N N 15 121.4 0.1 . 1 . . . . 8 GLN N . 17998 1 40 . 1 1 9 9 THR H H 1 8.21 0.01 . 1 . . . . 9 THR H . 17998 1 41 . 1 1 9 9 THR C C 13 174.4 0.1 . 1 . . . . 9 THR C . 17998 1 42 . 1 1 9 9 THR CA C 13 62.1 0.1 . 1 . . . . 9 THR CA . 17998 1 43 . 1 1 9 9 THR CB C 13 69.8 0.1 . 1 . . . . 9 THR CB . 17998 1 44 . 1 1 9 9 THR CG2 C 13 21.6 0.1 . 1 . . . . 9 THR CG2 . 17998 1 45 . 1 1 9 9 THR N N 15 115.8 0.1 . 1 . . . . 9 THR N . 17998 1 46 . 1 1 10 10 GLN H H 1 8.39 0.01 . 1 . . . . 10 GLN H . 17998 1 47 . 1 1 10 10 GLN C C 13 176.0 0.1 . 1 . . . . 10 GLN C . 17998 1 48 . 1 1 10 10 GLN CA C 13 55.7 0.1 . 1 . . . . 10 GLN CA . 17998 1 49 . 1 1 10 10 GLN CB C 13 29.6 0.1 . 1 . . . . 10 GLN CB . 17998 1 50 . 1 1 10 10 GLN CG C 13 33.7 0.1 . 1 . . . . 10 GLN CG . 17998 1 51 . 1 1 10 10 GLN N N 15 123.0 0.1 . 1 . . . . 10 GLN N . 17998 1 52 . 1 1 11 11 THR H H 1 8.17 0.01 . 1 . . . . 11 THR H . 17998 1 53 . 1 1 11 11 THR C C 13 174.3 0.1 . 1 . . . . 11 THR C . 17998 1 54 . 1 1 11 11 THR CA C 13 61.7 0.1 . 1 . . . . 11 THR CA . 17998 1 55 . 1 1 11 11 THR CB C 13 69.8 0.1 . 1 . . . . 11 THR CB . 17998 1 56 . 1 1 11 11 THR CG2 C 13 21.5 0.1 . 1 . . . . 11 THR CG2 . 17998 1 57 . 1 1 11 11 THR N N 15 115.5 0.1 . 1 . . . . 11 THR N . 17998 1 58 . 1 1 12 12 HIS H H 1 8.38 0.01 . 1 . . . . 12 HIS H . 17998 1 59 . 1 1 12 12 HIS C C 13 174.8 0.1 . 1 . . . . 12 HIS C . 17998 1 60 . 1 1 12 12 HIS CA C 13 55.9 0.1 . 1 . . . . 12 HIS CA . 17998 1 61 . 1 1 12 12 HIS CB C 13 30.1 0.1 . 1 . . . . 12 HIS CB . 17998 1 62 . 1 1 12 12 HIS N N 15 121.2 0.1 . 1 . . . . 12 HIS N . 17998 1 63 . 1 1 13 13 ASP H H 1 8.37 0.01 . 1 . . . . 13 ASP H . 17998 1 64 . 1 1 13 13 ASP C C 13 176.2 0.1 . 1 . . . . 13 ASP C . 17998 1 65 . 1 1 13 13 ASP CA C 13 54.6 0.1 . 1 . . . . 13 ASP CA . 17998 1 66 . 1 1 13 13 ASP CB C 13 41.1 0.1 . 1 . . . . 13 ASP CB . 17998 1 67 . 1 1 13 13 ASP N N 15 121.8 0.1 . 1 . . . . 13 ASP N . 17998 1 68 . 1 1 14 14 GLN H H 1 8.35 0.01 . 1 . . . . 14 GLN H . 17998 1 69 . 1 1 14 14 GLN C C 13 176.2 0.1 . 1 . . . . 14 GLN C . 17998 1 70 . 1 1 14 14 GLN CA C 13 56.1 0.1 . 1 . . . . 14 GLN CA . 17998 1 71 . 1 1 14 14 GLN CB C 13 29.4 0.1 . 1 . . . . 14 GLN CB . 17998 1 72 . 1 1 14 14 GLN CG C 13 33.8 0.1 . 1 . . . . 14 GLN CG . 17998 1 73 . 1 1 14 14 GLN N N 15 120.3 0.1 . 1 . . . . 14 GLN N . 17998 1 74 . 1 1 15 15 GLU H H 1 8.43 0.01 . 1 . . . . 15 GLU H . 17998 1 75 . 1 1 15 15 GLU C C 13 176.7 0.1 . 1 . . . . 15 GLU C . 17998 1 76 . 1 1 15 15 GLU CA C 13 56.9 0.1 . 1 . . . . 15 GLU CA . 17998 1 77 . 1 1 15 15 GLU CB C 13 30.1 0.1 . 1 . . . . 15 GLU CB . 17998 1 78 . 1 1 15 15 GLU CG C 13 36.4 0.1 . 1 . . . . 15 GLU CG . 17998 1 79 . 1 1 15 15 GLU N N 15 121.9 0.1 . 1 . . . . 15 GLU N . 17998 1 80 . 1 1 16 16 SER H H 1 8.19 0.01 . 1 . . . . 16 SER H . 17998 1 81 . 1 1 16 16 SER C C 13 174.3 0.1 . 1 . . . . 16 SER C . 17998 1 82 . 1 1 16 16 SER CA C 13 58.5 0.1 . 1 . . . . 16 SER CA . 17998 1 83 . 1 1 16 16 SER CB C 13 63.9 0.1 . 1 . . . . 16 SER CB . 17998 1 84 . 1 1 16 16 SER N N 15 116.3 0.1 . 1 . . . . 16 SER N . 17998 1 85 . 1 1 17 17 GLU H H 1 8.32 0.01 . 1 . . . . 17 GLU H . 17998 1 86 . 1 1 17 17 GLU C C 13 176.2 0.1 . 1 . . . . 17 GLU C . 17998 1 87 . 1 1 17 17 GLU CA C 13 56.5 0.1 . 1 . . . . 17 GLU CA . 17998 1 88 . 1 1 17 17 GLU CB C 13 30.4 0.1 . 1 . . . . 17 GLU CB . 17998 1 89 . 1 1 17 17 GLU CG C 13 36.3 0.1 . 1 . . . . 17 GLU CG . 17998 1 90 . 1 1 17 17 GLU N N 15 122.9 0.1 . 1 . . . . 17 GLU N . 17998 1 91 . 1 1 18 18 ILE H H 1 8.13 0.01 . 1 . . . . 18 ILE H . 17998 1 92 . 1 1 18 18 ILE C C 13 176.2 0.1 . 1 . . . . 18 ILE C . 17998 1 93 . 1 1 18 18 ILE CA C 13 61.1 0.1 . 1 . . . . 18 ILE CA . 17998 1 94 . 1 1 18 18 ILE CB C 13 38.5 0.1 . 1 . . . . 18 ILE CB . 17998 1 95 . 1 1 18 18 ILE CG1 C 13 27.7 0.1 . 1 . . . . 18 ILE CG1 . 17998 1 96 . 1 1 18 18 ILE CG2 C 13 17.6 0.1 . 1 . . . . 18 ILE CG2 . 17998 1 97 . 1 1 18 18 ILE CD1 C 13 12.8 0.1 . 1 . . . . 18 ILE CD1 . 17998 1 98 . 1 1 18 18 ILE N N 15 122.6 0.1 . 1 . . . . 18 ILE N . 17998 1 99 . 1 1 19 19 VAL H H 1 8.27 0.01 . 1 . . . . 19 VAL H . 17998 1 100 . 1 1 19 19 VAL C C 13 176.3 0.1 . 1 . . . . 19 VAL C . 17998 1 101 . 1 1 19 19 VAL CA C 13 62.2 0.1 . 1 . . . . 19 VAL CA . 17998 1 102 . 1 1 19 19 VAL CB C 13 32.7 0.1 . 1 . . . . 19 VAL CB . 17998 1 103 . 1 1 19 19 VAL CG1 C 13 21.1 0.1 . 1 . . . . 19 VAL CG1 . 17998 1 104 . 1 1 19 19 VAL CG2 C 13 21.1 0.1 . 1 . . . . 19 VAL CG2 . 17998 1 105 . 1 1 19 19 VAL N N 15 126.0 0.1 . 1 . . . . 19 VAL N . 17998 1 106 . 1 1 20 20 THR H H 1 8.28 0.01 . 1 . . . . 20 THR H . 17998 1 107 . 1 1 20 20 THR C C 13 174.5 0.1 . 1 . . . . 20 THR C . 17998 1 108 . 1 1 20 20 THR CA C 13 61.7 0.1 . 1 . . . . 20 THR CA . 17998 1 109 . 1 1 20 20 THR CB C 13 69.9 0.1 . 1 . . . . 20 THR CB . 17998 1 110 . 1 1 20 20 THR CG2 C 13 21.4 0.1 . 1 . . . . 20 THR CG2 . 17998 1 111 . 1 1 20 20 THR N N 15 119.2 0.1 . 1 . . . . 20 THR N . 17998 1 112 . 1 1 21 21 GLU H H 1 8.44 0.01 . 1 . . . . 21 GLU H . 17998 1 113 . 1 1 21 21 GLU C C 13 176.9 0.1 . 1 . . . . 21 GLU C . 17998 1 114 . 1 1 21 21 GLU CA C 13 56.9 0.1 . 1 . . . . 21 GLU CA . 17998 1 115 . 1 1 21 21 GLU CB C 13 30.2 0.1 . 1 . . . . 21 GLU CB . 17998 1 116 . 1 1 21 21 GLU CG C 13 36.2 0.1 . 1 . . . . 21 GLU CG . 17998 1 117 . 1 1 21 21 GLU N N 15 124.1 0.1 . 1 . . . . 21 GLU N . 17998 1 118 . 1 1 22 22 GLY H H 1 8.46 0.01 . 1 . . . . 22 GLY H . 17998 1 119 . 1 1 22 22 GLY C C 13 174.3 0.1 . 1 . . . . 22 GLY C . 17998 1 120 . 1 1 22 22 GLY CA C 13 45.3 0.1 . 1 . . . . 22 GLY CA . 17998 1 121 . 1 1 22 22 GLY N N 15 110.6 0.1 . 1 . . . . 22 GLY N . 17998 1 122 . 1 1 23 23 SER H H 1 8.11 0.01 . 1 . . . . 23 SER H . 17998 1 123 . 1 1 23 23 SER C C 13 174.2 0.1 . 1 . . . . 23 SER C . 17998 1 124 . 1 1 23 23 SER CA C 13 58.3 0.1 . 1 . . . . 23 SER CA . 17998 1 125 . 1 1 23 23 SER CB C 13 63.9 0.1 . 1 . . . . 23 SER CB . 17998 1 126 . 1 1 23 23 SER N N 15 115.6 0.1 . 1 . . . . 23 SER N . 17998 1 127 . 1 1 24 24 ALA H H 1 8.28 0.01 . 1 . . . . 24 ALA H . 17998 1 128 . 1 1 24 24 ALA C C 13 177.5 0.1 . 1 . . . . 24 ALA C . 17998 1 129 . 1 1 24 24 ALA CA C 13 52.4 0.1 . 1 . . . . 24 ALA CA . 17998 1 130 . 1 1 24 24 ALA CB C 13 19.2 0.1 . 1 . . . . 24 ALA CB . 17998 1 131 . 1 1 24 24 ALA N N 15 126.0 0.1 . 1 . . . . 24 ALA N . 17998 1 132 . 1 1 25 25 VAL H H 1 7.99 0.01 . 1 . . . . 25 VAL H . 17998 1 133 . 1 1 25 25 VAL C C 13 175.9 0.1 . 1 . . . . 25 VAL C . 17998 1 134 . 1 1 25 25 VAL CA C 13 62.3 0.1 . 1 . . . . 25 VAL CA . 17998 1 135 . 1 1 25 25 VAL CB C 13 32.7 0.1 . 1 . . . . 25 VAL CB . 17998 1 136 . 1 1 25 25 VAL CG1 C 13 21.1 0.1 . 1 . . . . 25 VAL CG1 . 17998 1 137 . 1 1 25 25 VAL CG2 C 13 21.1 0.1 . 1 . . . . 25 VAL CG2 . 17998 1 138 . 1 1 25 25 VAL N N 15 120.1 0.1 . 1 . . . . 25 VAL N . 17998 1 139 . 1 1 26 26 VAL H H 1 8.16 0.01 . 1 . . . . 26 VAL H . 17998 1 140 . 1 1 26 26 VAL C C 13 175.8 0.1 . 1 . . . . 26 VAL C . 17998 1 141 . 1 1 26 26 VAL CA C 13 62.1 0.1 . 1 . . . . 26 VAL CA . 17998 1 142 . 1 1 26 26 VAL CB C 13 32.8 0.1 . 1 . . . . 26 VAL CB . 17998 1 143 . 1 1 26 26 VAL CG1 C 13 20.8 0.1 . 1 . . . . 26 VAL CG1 . 17998 1 144 . 1 1 26 26 VAL CG2 C 13 20.8 0.1 . 1 . . . . 26 VAL CG2 . 17998 1 145 . 1 1 26 26 VAL N N 15 125.0 0.1 . 1 . . . . 26 VAL N . 17998 1 146 . 1 1 27 27 HIS H H 1 8.51 0.01 . 1 . . . . 27 HIS H . 17998 1 147 . 1 1 27 27 HIS C C 13 174.9 0.1 . 1 . . . . 27 HIS C . 17998 1 148 . 1 1 27 27 HIS CA C 13 55.8 0.1 . 1 . . . . 27 HIS CA . 17998 1 149 . 1 1 27 27 HIS CB C 13 30.7 0.1 . 1 . . . . 27 HIS CB . 17998 1 150 . 1 1 27 27 HIS N N 15 124.4 0.1 . 1 . . . . 27 HIS N . 17998 1 151 . 1 1 28 28 SER H H 1 8.26 0.01 . 1 . . . . 28 SER H . 17998 1 152 . 1 1 28 28 SER C C 13 173.8 0.1 . 1 . . . . 28 SER C . 17998 1 153 . 1 1 28 28 SER CA C 13 58.0 0.1 . 1 . . . . 28 SER CA . 17998 1 154 . 1 1 28 28 SER CB C 13 64.0 0.1 . 1 . . . . 28 SER CB . 17998 1 155 . 1 1 28 28 SER N N 15 118.3 0.1 . 1 . . . . 28 SER N . 17998 1 156 . 1 1 29 29 GLU H H 1 8.44 0.01 . 1 . . . . 29 GLU H . 17998 1 157 . 1 1 29 29 GLU C C 13 174.7 0.1 . 1 . . . . 29 GLU C . 17998 1 158 . 1 1 29 29 GLU CA C 13 54.4 0.1 . 1 . . . . 29 GLU CA . 17998 1 159 . 1 1 29 29 GLU CB C 13 30.2 0.1 . 1 . . . . 29 GLU CB . 17998 1 160 . 1 1 29 29 GLU N N 15 124.1 0.1 . 1 . . . . 29 GLU N . 17998 1 161 . 1 1 30 30 PRO C C 13 177.1 0.1 . 1 . . . . 30 PRO C . 17998 1 162 . 1 1 30 30 PRO CA C 13 63.4 0.1 . 1 . . . . 30 PRO CA . 17998 1 163 . 1 1 30 30 PRO CB C 13 32.1 0.1 . 1 . . . . 30 PRO CB . 17998 1 164 . 1 1 30 30 PRO CG C 13 27.5 0.1 . 1 . . . . 30 PRO CG . 17998 1 165 . 1 1 30 30 PRO CD C 13 50.6 0.1 . 1 . . . . 30 PRO CD . 17998 1 166 . 1 1 31 31 SER H H 1 8.40 0.01 . 1 . . . . 31 SER H . 17998 1 167 . 1 1 31 31 SER C C 13 175.0 0.1 . 1 . . . . 31 SER C . 17998 1 168 . 1 1 31 31 SER CA C 13 58.5 0.1 . 1 . . . . 31 SER CA . 17998 1 169 . 1 1 31 31 SER CB C 13 63.8 0.1 . 1 . . . . 31 SER CB . 17998 1 170 . 1 1 31 31 SER N N 15 115.8 0.1 . 1 . . . . 31 SER N . 17998 1 171 . 1 1 32 32 GLN H H 1 8.54 0.01 . 1 . . . . 32 GLN H . 17998 1 172 . 1 1 32 32 GLN C C 13 176.1 0.1 . 1 . . . . 32 GLN C . 17998 1 173 . 1 1 32 32 GLN CA C 13 55.8 0.1 . 1 . . . . 32 GLN CA . 17998 1 174 . 1 1 32 32 GLN CB C 13 29.5 0.1 . 1 . . . . 32 GLN CB . 17998 1 175 . 1 1 32 32 GLN CG C 13 33.8 0.1 . 1 . . . . 32 GLN CG . 17998 1 176 . 1 1 32 32 GLN N N 15 122.6 0.1 . 1 . . . . 32 GLN N . 17998 1 177 . 1 1 33 33 GLU H H 1 8.35 0.01 . 1 . . . . 33 GLU H . 17998 1 178 . 1 1 33 33 GLU C C 13 177.1 0.1 . 1 . . . . 33 GLU C . 17998 1 179 . 1 1 33 33 GLU CA C 13 57.2 0.1 . 1 . . . . 33 GLU CA . 17998 1 180 . 1 1 33 33 GLU CB C 13 30.2 0.1 . 1 . . . . 33 GLU CB . 17998 1 181 . 1 1 33 33 GLU CG C 13 36.1 0.1 . 1 . . . . 33 GLU CG . 17998 1 182 . 1 1 33 33 GLU N N 15 122.1 0.1 . 1 . . . . 33 GLU N . 17998 1 183 . 1 1 34 34 GLY H H 1 8.64 0.01 . 1 . . . . 34 GLY H . 17998 1 184 . 1 1 34 34 GLY C C 13 174.4 0.1 . 1 . . . . 34 GLY C . 17998 1 185 . 1 1 34 34 GLY CA C 13 45.7 0.1 . 1 . . . . 34 GLY CA . 17998 1 186 . 1 1 34 34 GLY N N 15 110.7 0.1 . 1 . . . . 34 GLY N . 17998 1 187 . 1 1 35 35 ASN H H 1 8.35 0.01 . 1 . . . . 35 ASN H . 17998 1 188 . 1 1 35 35 ASN C C 13 175.7 0.1 . 1 . . . . 35 ASN C . 17998 1 189 . 1 1 35 35 ASN CA C 13 54.7 0.1 . 1 . . . . 35 ASN CA . 17998 1 190 . 1 1 35 35 ASN CB C 13 39.1 0.1 . 1 . . . . 35 ASN CB . 17998 1 191 . 1 1 35 35 ASN N N 15 117.9 0.1 . 1 . . . . 35 ASN N . 17998 1 192 . 1 1 36 36 VAL H H 1 7.75 0.01 . 1 . . . . 36 VAL H . 17998 1 193 . 1 1 36 36 VAL C C 13 172.5 0.1 . 1 . . . . 36 VAL C . 17998 1 194 . 1 1 36 36 VAL CA C 13 58.6 0.1 . 1 . . . . 36 VAL CA . 17998 1 195 . 1 1 36 36 VAL CB C 13 32.6 0.1 . 1 . . . . 36 VAL CB . 17998 1 196 . 1 1 36 36 VAL N N 15 116.8 0.1 . 1 . . . . 36 VAL N . 17998 1 197 . 1 1 38 38 PRO C C 13 174.7 0.1 . 1 . . . . 38 PRO C . 17998 1 198 . 1 1 38 38 PRO CA C 13 62.1 0.1 . 1 . . . . 38 PRO CA . 17998 1 199 . 1 1 38 38 PRO CB C 13 31.9 0.1 . 1 . . . . 38 PRO CB . 17998 1 200 . 1 1 38 38 PRO CG C 13 27.3 0.1 . 1 . . . . 38 PRO CG . 17998 1 201 . 1 1 38 38 PRO CD C 13 50.4 0.1 . 1 . . . . 38 PRO CD . 17998 1 202 . 1 1 39 39 LYS H H 1 8.05 0.01 . 1 . . . . 39 LYS H . 17998 1 203 . 1 1 39 39 LYS C C 13 175.9 0.1 . 1 . . . . 39 LYS C . 17998 1 204 . 1 1 39 39 LYS CA C 13 55.7 0.1 . 1 . . . . 39 LYS CA . 17998 1 205 . 1 1 39 39 LYS CB C 13 32.8 0.1 . 1 . . . . 39 LYS CB . 17998 1 206 . 1 1 39 39 LYS CG C 13 24.8 0.1 . 1 . . . . 39 LYS CG . 17998 1 207 . 1 1 39 39 LYS CD C 13 29.2 0.1 . 1 . . . . 39 LYS CD . 17998 1 208 . 1 1 39 39 LYS CE C 13 42.2 0.1 . 1 . . . . 39 LYS CE . 17998 1 209 . 1 1 39 39 LYS N N 15 121.2 0.1 . 1 . . . . 39 LYS N . 17998 1 210 . 1 1 40 40 VAL H H 1 8.37 0.01 . 1 . . . . 40 VAL H . 17998 1 211 . 1 1 40 40 VAL C C 13 174.9 0.1 . 1 . . . . 40 VAL C . 17998 1 212 . 1 1 40 40 VAL CA C 13 61.0 0.1 . 1 . . . . 40 VAL CA . 17998 1 213 . 1 1 40 40 VAL CB C 13 34.6 0.1 . 1 . . . . 40 VAL CB . 17998 1 214 . 1 1 40 40 VAL CG1 C 13 22.4 0.1 . 1 . . . . 40 VAL CG1 . 17998 1 215 . 1 1 40 40 VAL CG2 C 13 22.4 0.1 . 1 . . . . 40 VAL CG2 . 17998 1 216 . 1 1 40 40 VAL N N 15 125.1 0.1 . 1 . . . . 40 VAL N . 17998 1 217 . 1 1 41 41 ASP H H 1 8.64 0.01 . 1 . . . . 41 ASP H . 17998 1 218 . 1 1 41 41 ASP C C 13 175.9 0.1 . 1 . . . . 41 ASP C . 17998 1 219 . 1 1 41 41 ASP CA C 13 53.7 0.1 . 1 . . . . 41 ASP CA . 17998 1 220 . 1 1 41 41 ASP CB C 13 41.5 0.1 . 1 . . . . 41 ASP CB . 17998 1 221 . 1 1 41 41 ASP N N 15 124.7 0.1 . 1 . . . . 41 ASP N . 17998 1 222 . 1 1 42 42 SER H H 1 7.20 0.01 . 1 . . . . 42 SER H . 17998 1 223 . 1 1 42 42 SER C C 13 174.4 0.1 . 1 . . . . 42 SER C . 17998 1 224 . 1 1 42 42 SER CA C 13 57.0 0.1 . 1 . . . . 42 SER CA . 17998 1 225 . 1 1 42 42 SER CB C 13 64.4 0.1 . 1 . . . . 42 SER CB . 17998 1 226 . 1 1 42 42 SER N N 15 114.1 0.1 . 1 . . . . 42 SER N . 17998 1 227 . 1 1 43 43 GLU H H 1 8.72 0.01 . 1 . . . . 43 GLU H . 17998 1 228 . 1 1 43 43 GLU C C 13 176.2 0.1 . 1 . . . . 43 GLU C . 17998 1 229 . 1 1 43 43 GLU CA C 13 56.9 0.1 . 1 . . . . 43 GLU CA . 17998 1 230 . 1 1 43 43 GLU CB C 13 30.1 0.1 . 1 . . . . 43 GLU CB . 17998 1 231 . 1 1 43 43 GLU CG C 13 36.2 0.1 . 1 . . . . 43 GLU CG . 17998 1 232 . 1 1 43 43 GLU N N 15 122.6 0.1 . 1 . . . . 43 GLU N . 17998 1 233 . 1 1 44 44 ALA H H 1 8.67 0.01 . 1 . . . . 44 ALA H . 17998 1 234 . 1 1 44 44 ALA C C 13 176.6 0.1 . 1 . . . . 44 ALA C . 17998 1 235 . 1 1 44 44 ALA CA C 13 51.4 0.1 . 1 . . . . 44 ALA CA . 17998 1 236 . 1 1 44 44 ALA CB C 13 18.6 0.1 . 1 . . . . 44 ALA CB . 17998 1 237 . 1 1 44 44 ALA N N 15 127.1 0.1 . 1 . . . . 44 ALA N . 17998 1 238 . 1 1 45 45 GLU H H 1 9.13 0.01 . 1 . . . . 45 GLU H . 17998 1 239 . 1 1 45 45 GLU C C 13 176.0 0.1 . 1 . . . . 45 GLU C . 17998 1 240 . 1 1 45 45 GLU CA C 13 55.0 0.1 . 1 . . . . 45 GLU CA . 17998 1 241 . 1 1 45 45 GLU CB C 13 31.6 0.1 . 1 . . . . 45 GLU CB . 17998 1 242 . 1 1 45 45 GLU CG C 13 35.9 0.1 . 1 . . . . 45 GLU CG . 17998 1 243 . 1 1 45 45 GLU N N 15 125.6 0.1 . 1 . . . . 45 GLU N . 17998 1 244 . 1 1 46 46 VAL H H 1 8.90 0.01 . 1 . . . . 46 VAL H . 17998 1 245 . 1 1 46 46 VAL C C 13 176.1 0.1 . 1 . . . . 46 VAL C . 17998 1 246 . 1 1 46 46 VAL CA C 13 64.3 0.1 . 1 . . . . 46 VAL CA . 17998 1 247 . 1 1 46 46 VAL CB C 13 31.6 0.1 . 9 . . . . 46 VAL CB . 17998 1 248 . 1 1 46 46 VAL CG1 C 13 20.9 0.1 . 2 . . . . 46 VAL CG1 . 17998 1 249 . 1 1 46 46 VAL CG2 C 13 20.5 0.1 . 2 . . . . 46 VAL CG2 . 17998 1 250 . 1 1 46 46 VAL N N 15 128.4 0.1 . 1 . . . . 46 VAL N . 17998 1 251 . 1 1 47 47 LEU H H 1 8.31 0.01 . 1 . . . . 47 LEU H . 17998 1 252 . 1 1 47 47 LEU C C 13 175.7 0.1 . 1 . . . . 47 LEU C . 17998 1 253 . 1 1 47 47 LEU CA C 13 54.6 0.1 . 1 . . . . 47 LEU CA . 17998 1 254 . 1 1 47 47 LEU CB C 13 43.4 0.1 . 1 . . . . 47 LEU CB . 17998 1 255 . 1 1 47 47 LEU CD1 C 13 27.3 0.1 . 2 . . . . 47 LEU CD1 . 17998 1 256 . 1 1 47 47 LEU CD2 C 13 22.3 0.1 . 2 . . . . 47 LEU CD2 . 17998 1 257 . 1 1 47 47 LEU N N 15 128.7 0.1 . 1 . . . . 47 LEU N . 17998 1 258 . 1 1 48 48 ASP H H 1 8.56 0.01 . 1 . . . . 48 ASP H . 17998 1 259 . 1 1 48 48 ASP C C 13 173.9 0.1 . 1 . . . . 48 ASP C . 17998 1 260 . 1 1 48 48 ASP CA C 13 53.0 0.1 . 1 . . . . 48 ASP CA . 17998 1 261 . 1 1 48 48 ASP CB C 13 46.0 0.1 . 1 . . . . 48 ASP CB . 17998 1 262 . 1 1 48 48 ASP N N 15 119.5 0.1 . 1 . . . . 48 ASP N . 17998 1 263 . 1 1 49 49 GLU H H 1 8.67 0.01 . 1 . . . . 49 GLU H . 17998 1 264 . 1 1 49 49 GLU C C 13 177.4 0.1 . 1 . . . . 49 GLU C . 17998 1 265 . 1 1 49 49 GLU CA C 13 60.1 0.1 . 1 . . . . 49 GLU CA . 17998 1 266 . 1 1 49 49 GLU CB C 13 30.0 0.1 . 1 . . . . 49 GLU CB . 17998 1 267 . 1 1 49 49 GLU CG C 13 36.6 0.1 . 1 . . . . 49 GLU CG . 17998 1 268 . 1 1 49 49 GLU N N 15 124.4 0.1 . 1 . . . . 49 GLU N . 17998 1 269 . 1 1 50 50 LYS H H 1 9.29 0.01 . 1 . . . . 50 LYS H . 17998 1 270 . 1 1 50 50 LYS C C 13 176.2 0.1 . 1 . . . . 50 LYS C . 17998 1 271 . 1 1 50 50 LYS CA C 13 53.8 0.1 . 1 . . . . 50 LYS CA . 17998 1 272 . 1 1 50 50 LYS CB C 13 33.0 0.1 . 1 . . . . 50 LYS CB . 17998 1 273 . 1 1 50 50 LYS CG C 13 25.2 0.1 . 9 . . . . 50 LYS CG . 17998 1 274 . 1 1 50 50 LYS CD C 13 28.1 0.1 . 1 . . . . 50 LYS CD . 17998 1 275 . 1 1 50 50 LYS CE C 13 42.4 0.1 . 1 . . . . 50 LYS CE . 17998 1 276 . 1 1 50 50 LYS N N 15 113.9 0.1 . 1 . . . . 50 LYS N . 17998 1 277 . 1 1 51 51 VAL H H 1 7.38 0.01 . 1 . . . . 51 VAL H . 17998 1 278 . 1 1 51 51 VAL C C 13 174.6 0.1 . 1 . . . . 51 VAL C . 17998 1 279 . 1 1 51 51 VAL CA C 13 61.6 0.1 . 1 . . . . 51 VAL CA . 17998 1 280 . 1 1 51 51 VAL CB C 13 36.4 0.1 . 1 . . . . 51 VAL CB . 17998 1 281 . 1 1 51 51 VAL CG1 C 13 22.4 0.1 . 2 . . . . 51 VAL CG1 . 17998 1 282 . 1 1 51 51 VAL CG2 C 13 21.8 0.1 . 2 . . . . 51 VAL CG2 . 17998 1 283 . 1 1 51 51 VAL N N 15 117.4 0.1 . 1 . . . . 51 VAL N . 17998 1 284 . 1 1 52 52 SER H H 1 8.82 0.01 . 1 . . . . 52 SER H . 17998 1 285 . 1 1 52 52 SER C C 13 172.7 0.1 . 1 . . . . 52 SER C . 17998 1 286 . 1 1 52 52 SER CA C 13 56.8 0.1 . 1 . . . . 52 SER CA . 17998 1 287 . 1 1 52 52 SER CB C 13 66.6 0.1 . 1 . . . . 52 SER CB . 17998 1 288 . 1 1 52 52 SER N N 15 121.7 0.1 . 1 . . . . 52 SER N . 17998 1 289 . 1 1 53 53 LYS H H 1 9.19 0.01 . 1 . . . . 53 LYS H . 17998 1 290 . 1 1 53 53 LYS C C 13 175.2 0.1 . 1 . . . . 53 LYS C . 17998 1 291 . 1 1 53 53 LYS CA C 13 55.0 0.1 . 1 . . . . 53 LYS CA . 17998 1 292 . 1 1 53 53 LYS CB C 13 37.4 0.1 . 1 . . . . 53 LYS CB . 17998 1 293 . 1 1 53 53 LYS CG C 13 24.7 0.1 . 9 . . . . 53 LYS CG . 17998 1 294 . 1 1 53 53 LYS CD C 13 27.7 0.1 . 9 . . . . 53 LYS CD . 17998 1 295 . 1 1 53 53 LYS CE C 13 42.0 0.1 . 9 . . . . 53 LYS CE . 17998 1 296 . 1 1 53 53 LYS N N 15 121.1 0.1 . 1 . . . . 53 LYS N . 17998 1 297 . 1 1 54 54 GLN H H 1 9.49 0.01 . 1 . . . . 54 GLN H . 17998 1 298 . 1 1 54 54 GLN C C 13 175.2 0.1 . 1 . . . . 54 GLN C . 17998 1 299 . 1 1 54 54 GLN CA C 13 54.3 0.1 . 1 . . . . 54 GLN CA . 17998 1 300 . 1 1 54 54 GLN CB C 13 34.5 0.1 . 1 . . . . 54 GLN CB . 17998 1 301 . 1 1 54 54 GLN CG C 13 35.9 0.1 . 1 . . . . 54 GLN CG . 17998 1 302 . 1 1 54 54 GLN N N 15 124.5 0.1 . 1 . . . . 54 GLN N . 17998 1 303 . 1 1 55 55 ILE H H 1 9.20 0.01 . 1 . . . . 55 ILE H . 17998 1 304 . 1 1 55 55 ILE C C 13 176.0 0.1 . 1 . . . . 55 ILE C . 17998 1 305 . 1 1 55 55 ILE CA C 13 65.0 0.1 . 1 . . . . 55 ILE CA . 17998 1 306 . 1 1 55 55 ILE CB C 13 38.6 0.1 . 1 . . . . 55 ILE CB . 17998 1 307 . 1 1 55 55 ILE CG1 C 13 29.3 0.1 . 9 . . . . 55 ILE CG1 . 17998 1 308 . 1 1 55 55 ILE CG2 C 13 17.0 0.1 . 1 . . . . 55 ILE CG2 . 17998 1 309 . 1 1 55 55 ILE CD1 C 13 13.9 0.1 . 9 . . . . 55 ILE CD1 . 17998 1 310 . 1 1 55 55 ILE N N 15 126.1 0.1 . 1 . . . . 55 ILE N . 17998 1 311 . 1 1 56 56 ILE H H 1 9.15 0.01 . 1 . . . . 56 ILE H . 17998 1 312 . 1 1 56 56 ILE C C 13 175.4 0.1 . 1 . . . . 56 ILE C . 17998 1 313 . 1 1 56 56 ILE CA C 13 63.2 0.1 . 1 . . . . 56 ILE CA . 17998 1 314 . 1 1 56 56 ILE CB C 13 40.1 0.1 . 1 . . . . 56 ILE CB . 17998 1 315 . 1 1 56 56 ILE CG2 C 13 17.3 0.1 . 1 . . . . 56 ILE CG2 . 17998 1 316 . 1 1 56 56 ILE CD1 C 13 14.7 0.1 . 1 . . . . 56 ILE CD1 . 17998 1 317 . 1 1 56 56 ILE N N 15 128.4 0.1 . 1 . . . . 56 ILE N . 17998 1 318 . 1 1 57 57 LYS H H 1 8.25 0.01 . 1 . . . . 57 LYS H . 17998 1 319 . 1 1 57 57 LYS C C 13 174.4 0.1 . 1 . . . . 57 LYS C . 17998 1 320 . 1 1 57 57 LYS CA C 13 55.1 0.1 . 1 . . . . 57 LYS CA . 17998 1 321 . 1 1 57 57 LYS CB C 13 36.4 0.1 . 1 . . . . 57 LYS CB . 17998 1 322 . 1 1 57 57 LYS CG C 13 24.6 0.1 . 1 . . . . 57 LYS CG . 17998 1 323 . 1 1 57 57 LYS CD C 13 29.5 0.1 . 1 . . . . 57 LYS CD . 17998 1 324 . 1 1 57 57 LYS CE C 13 42.2 0.1 . 1 . . . . 57 LYS CE . 17998 1 325 . 1 1 57 57 LYS N N 15 121.2 0.1 . 1 . . . . 57 LYS N . 17998 1 326 . 1 1 58 58 GLU H H 1 8.73 0.01 . 1 . . . . 58 GLU H . 17998 1 327 . 1 1 58 58 GLU C C 13 177.6 0.1 . 1 . . . . 58 GLU C . 17998 1 328 . 1 1 58 58 GLU CA C 13 57.2 0.1 . 1 . . . . 58 GLU CA . 17998 1 329 . 1 1 58 58 GLU CB C 13 30.7 0.1 . 1 . . . . 58 GLU CB . 17998 1 330 . 1 1 58 58 GLU CG C 13 36.4 0.1 . 1 . . . . 58 GLU CG . 17998 1 331 . 1 1 58 58 GLU N N 15 125.2 0.1 . 1 . . . . 58 GLU N . 17998 1 332 . 1 1 59 59 GLY H H 1 9.89 0.01 . 1 . . . . 59 GLY H . 17998 1 333 . 1 1 59 59 GLY C C 13 172.7 0.1 . 1 . . . . 59 GLY C . 17998 1 334 . 1 1 59 59 GLY CA C 13 43.4 0.1 . 1 . . . . 59 GLY CA . 17998 1 335 . 1 1 59 59 GLY N N 15 111.0 0.1 . 1 . . . . 59 GLY N . 17998 1 336 . 1 1 60 60 HIS H H 1 8.42 0.01 . 1 . . . . 60 HIS H . 17998 1 337 . 1 1 60 60 HIS C C 13 174.5 0.1 . 1 . . . . 60 HIS C . 17998 1 338 . 1 1 60 60 HIS CA C 13 54.6 0.1 . 1 . . . . 60 HIS CA . 17998 1 339 . 1 1 60 60 HIS CB C 13 32.7 0.1 . 1 . . . . 60 HIS CB . 17998 1 340 . 1 1 60 60 HIS N N 15 116.8 0.1 . 1 . . . . 60 HIS N . 17998 1 341 . 1 1 61 61 GLY H H 1 8.69 0.01 . 1 . . . . 61 GLY H . 17998 1 342 . 1 1 61 61 GLY C C 13 173.4 0.1 . 1 . . . . 61 GLY C . 17998 1 343 . 1 1 61 61 GLY CA C 13 45.2 0.1 . 1 . . . . 61 GLY CA . 17998 1 344 . 1 1 61 61 GLY N N 15 110.2 0.1 . 1 . . . . 61 GLY N . 17998 1 345 . 1 1 62 62 SER H H 1 8.48 0.01 . 1 . . . . 62 SER H . 17998 1 346 . 1 1 62 62 SER C C 13 174.4 0.1 . 1 . . . . 62 SER C . 17998 1 347 . 1 1 62 62 SER CA C 13 57.7 0.1 . 1 . . . . 62 SER CA . 17998 1 348 . 1 1 62 62 SER CB C 13 65.0 0.1 . 1 . . . . 62 SER CB . 17998 1 349 . 1 1 62 62 SER N N 15 116.6 0.1 . 1 . . . . 62 SER N . 17998 1 350 . 1 1 63 63 LYS H H 1 8.21 0.01 . 1 . . . . 63 LYS H . 17998 1 351 . 1 1 63 63 LYS C C 13 174.7 0.1 . 1 . . . . 63 LYS C . 17998 1 352 . 1 1 63 63 LYS CA C 13 55.2 0.1 . 1 . . . . 63 LYS CA . 17998 1 353 . 1 1 63 63 LYS CB C 13 31.6 0.1 . 1 . . . . 63 LYS CB . 17998 1 354 . 1 1 63 63 LYS N N 15 121.6 0.1 . 1 . . . . 63 LYS N . 17998 1 355 . 1 1 64 64 PRO C C 13 176.0 0.1 . 1 . . . . 64 PRO C . 17998 1 356 . 1 1 64 64 PRO CA C 13 62.5 0.1 . 1 . . . . 64 PRO CA . 17998 1 357 . 1 1 64 64 PRO CB C 13 31.5 0.1 . 1 . . . . 64 PRO CB . 17998 1 358 . 1 1 64 64 PRO CG C 13 27.5 0.1 . 1 . . . . 64 PRO CG . 17998 1 359 . 1 1 64 64 PRO CD C 13 50.1 0.1 . 1 . . . . 64 PRO CD . 17998 1 360 . 1 1 65 65 SER H H 1 7.43 0.01 . 1 . . . . 65 SER H . 17998 1 361 . 1 1 65 65 SER C C 13 174.8 0.1 . 1 . . . . 65 SER C . 17998 1 362 . 1 1 65 65 SER CA C 13 56.8 0.1 . 1 . . . . 65 SER CA . 17998 1 363 . 1 1 65 65 SER CB C 13 64.8 0.1 . 1 . . . . 65 SER CB . 17998 1 364 . 1 1 65 65 SER N N 15 114.0 0.1 . 1 . . . . 65 SER N . 17998 1 365 . 1 1 66 66 LYS H H 1 8.12 0.01 . 1 . . . . 66 LYS H . 17998 1 366 . 1 1 66 66 LYS C C 13 176.1 0.1 . 9 . . . . 66 LYS C . 17998 1 367 . 1 1 66 66 LYS CA C 13 55.3 0.1 . 1 . . . . 66 LYS CA . 17998 1 368 . 1 1 66 66 LYS CE C 13 42.6 0.1 . 1 . . . . 66 LYS CE . 17998 1 369 . 1 1 66 66 LYS N N 15 122.0 0.1 . 1 . . . . 66 LYS N . 17998 1 370 . 1 1 67 67 TYR H H 1 8.90 0.01 . 1 . . . . 67 TYR H . 17998 1 371 . 1 1 67 67 TYR C C 13 175.6 0.1 . 1 . . . . 67 TYR C . 17998 1 372 . 1 1 67 67 TYR CA C 13 55.2 0.1 . 1 . . . . 67 TYR CA . 17998 1 373 . 1 1 67 67 TYR N N 15 123.9 0.1 . 1 . . . . 67 TYR N . 17998 1 374 . 1 1 68 68 SER H H 1 7.68 0.01 . 1 . . . . 68 SER H . 17998 1 375 . 1 1 68 68 SER C C 13 173.1 0.1 . 1 . . . . 68 SER C . 17998 1 376 . 1 1 68 68 SER CA C 13 60.5 0.1 . 1 . . . . 68 SER CA . 17998 1 377 . 1 1 68 68 SER CB C 13 64.4 0.1 . 1 . . . . 68 SER CB . 17998 1 378 . 1 1 68 68 SER N N 15 116.0 0.1 . 1 . . . . 68 SER N . 17998 1 379 . 1 1 69 69 THR H H 1 8.56 0.01 . 1 . . . . 69 THR H . 17998 1 380 . 1 1 69 69 THR C C 13 173.4 0.1 . 1 . . . . 69 THR C . 17998 1 381 . 1 1 69 69 THR CA C 13 63.1 0.1 . 1 . . . . 69 THR CA . 17998 1 382 . 1 1 69 69 THR CB C 13 69.2 0.1 . 1 . . . . 69 THR CB . 17998 1 383 . 1 1 69 69 THR CG2 C 13 22.0 0.1 . 1 . . . . 69 THR CG2 . 17998 1 384 . 1 1 69 69 THR N N 15 119.5 0.1 . 1 . . . . 69 THR N . 17998 1 385 . 1 1 70 70 CYS H H 1 9.02 0.01 . 1 . . . . 70 CYS H . 17998 1 386 . 1 1 70 70 CYS C C 13 172.2 0.1 . 1 . . . . 70 CYS C . 17998 1 387 . 1 1 70 70 CYS CA C 13 57.4 0.1 . 1 . . . . 70 CYS CA . 17998 1 388 . 1 1 70 70 CYS CB C 13 29.6 0.1 . 1 . . . . 70 CYS CB . 17998 1 389 . 1 1 70 70 CYS N N 15 125.3 0.1 . 1 . . . . 70 CYS N . 17998 1 390 . 1 1 71 71 PHE H H 1 8.71 0.01 . 1 . . . . 71 PHE H . 17998 1 391 . 1 1 71 71 PHE C C 13 175.4 0.1 . 1 . . . . 71 PHE C . 17998 1 392 . 1 1 71 71 PHE CA C 13 55.9 0.1 . 1 . . . . 71 PHE CA . 17998 1 393 . 1 1 71 71 PHE CB C 13 39.9 0.1 . 1 . . . . 71 PHE CB . 17998 1 394 . 1 1 71 71 PHE N N 15 123.5 0.1 . 1 . . . . 71 PHE N . 17998 1 395 . 1 1 72 72 LEU H H 1 9.03 0.01 . 1 . . . . 72 LEU H . 17998 1 396 . 1 1 72 72 LEU C C 13 174.0 0.1 . 1 . . . . 72 LEU C . 17998 1 397 . 1 1 72 72 LEU CA C 13 54.2 0.1 . 1 . . . . 72 LEU CA . 17998 1 398 . 1 1 72 72 LEU CB C 13 45.3 0.1 . 1 . . . . 72 LEU CB . 17998 1 399 . 1 1 72 72 LEU CD1 C 13 27.8 0.1 . 1 . . . . 72 LEU CD1 . 17998 1 400 . 1 1 72 72 LEU CD2 C 13 27.8 0.1 . 1 . . . . 72 LEU CD2 . 17998 1 401 . 1 1 72 72 LEU N N 15 121.8 0.1 . 1 . . . . 72 LEU N . 17998 1 402 . 1 1 73 73 HIS H H 1 8.23 0.01 . 1 . . . . 73 HIS H . 17998 1 403 . 1 1 73 73 HIS C C 13 175.3 0.1 . 1 . . . . 73 HIS C . 17998 1 404 . 1 1 73 73 HIS CA C 13 54.2 0.1 . 1 . . . . 73 HIS CA . 17998 1 405 . 1 1 73 73 HIS CB C 13 34.8 0.1 . 1 . . . . 73 HIS CB . 17998 1 406 . 1 1 73 73 HIS N N 15 118.5 0.1 . 1 . . . . 73 HIS N . 17998 1 407 . 1 1 74 74 TYR H H 1 9.16 0.01 . 1 . . . . 74 TYR H . 17998 1 408 . 1 1 74 74 TYR C C 13 173.3 0.1 . 1 . . . . 74 TYR C . 17998 1 409 . 1 1 74 74 TYR CA C 13 57.6 0.1 . 1 . . . . 74 TYR CA . 17998 1 410 . 1 1 74 74 TYR CB C 13 41.3 0.1 . 1 . . . . 74 TYR CB . 17998 1 411 . 1 1 74 74 TYR N N 15 114.9 0.1 . 1 . . . . 74 TYR N . 17998 1 412 . 1 1 75 75 ARG H H 1 8.99 0.01 . 1 . . . . 75 ARG H . 17998 1 413 . 1 1 75 75 ARG C C 13 174.4 0.1 . 1 . . . . 75 ARG C . 17998 1 414 . 1 1 75 75 ARG CA C 13 54.1 0.1 . 1 . . . . 75 ARG CA . 17998 1 415 . 1 1 75 75 ARG CB C 13 35.3 0.1 . 1 . . . . 75 ARG CB . 17998 1 416 . 1 1 75 75 ARG CD C 13 44.1 0.1 . 9 . . . . 75 ARG CD . 17998 1 417 . 1 1 75 75 ARG N N 15 116.7 0.1 . 1 . . . . 75 ARG N . 17998 1 418 . 1 1 76 76 ALA H H 1 7.57 0.01 . 1 . . . . 76 ALA H . 17998 1 419 . 1 1 76 76 ALA C C 13 174.3 0.1 . 1 . . . . 76 ALA C . 17998 1 420 . 1 1 76 76 ALA CA C 13 50.7 0.1 . 1 . . . . 76 ALA CA . 17998 1 421 . 1 1 76 76 ALA CB C 13 24.8 0.1 . 1 . . . . 76 ALA CB . 17998 1 422 . 1 1 76 76 ALA N N 15 123.0 0.1 . 1 . . . . 76 ALA N . 17998 1 423 . 1 1 77 77 TRP H H 1 9.24 0.01 . 1 . . . . 77 TRP H . 17998 1 424 . 1 1 77 77 TRP C C 13 178.0 0.1 . 1 . . . . 77 TRP C . 17998 1 425 . 1 1 77 77 TRP CA C 13 56.2 0.1 . 1 . . . . 77 TRP CA . 17998 1 426 . 1 1 77 77 TRP CB C 13 34.1 0.1 . 1 . . . . 77 TRP CB . 17998 1 427 . 1 1 77 77 TRP N N 15 118.7 0.1 . 1 . . . . 77 TRP N . 17998 1 428 . 1 1 78 78 THR H H 1 8.72 0.01 . 1 . . . . 78 THR H . 17998 1 429 . 1 1 78 78 THR C C 13 176.0 0.1 . 1 . . . . 78 THR C . 17998 1 430 . 1 1 78 78 THR CA C 13 61.0 0.1 . 1 . . . . 78 THR CA . 17998 1 431 . 1 1 78 78 THR CB C 13 68.6 0.1 . 1 . . . . 78 THR CB . 17998 1 432 . 1 1 78 78 THR CG2 C 13 23.7 0.1 . 1 . . . . 78 THR CG2 . 17998 1 433 . 1 1 78 78 THR N N 15 111.2 0.1 . 1 . . . . 78 THR N . 17998 1 434 . 1 1 79 79 LYS H H 1 8.64 0.01 . 1 . . . . 79 LYS H . 17998 1 435 . 1 1 79 79 LYS C C 13 178.2 0.1 . 1 . . . . 79 LYS C . 17998 1 436 . 1 1 79 79 LYS CA C 13 60.1 0.1 . 1 . . . . 79 LYS CA . 17998 1 437 . 1 1 79 79 LYS CB C 13 33.4 0.1 . 1 . . . . 79 LYS CB . 17998 1 438 . 1 1 79 79 LYS CG C 13 26.2 0.1 . 1 . . . . 79 LYS CG . 17998 1 439 . 1 1 79 79 LYS CD C 13 29.9 0.1 . 1 . . . . 79 LYS CD . 17998 1 440 . 1 1 79 79 LYS CE C 13 41.9 0.1 . 1 . . . . 79 LYS CE . 17998 1 441 . 1 1 79 79 LYS N N 15 124.5 0.1 . 1 . . . . 79 LYS N . 17998 1 442 . 1 1 80 80 ASN H H 1 8.97 0.01 . 1 . . . . 80 ASN H . 17998 1 443 . 1 1 80 80 ASN C C 13 176.4 0.1 . 1 . . . . 80 ASN C . 17998 1 444 . 1 1 80 80 ASN CA C 13 55.7 0.1 . 1 . . . . 80 ASN CA . 17998 1 445 . 1 1 80 80 ASN CB C 13 37.7 0.1 . 1 . . . . 80 ASN CB . 17998 1 446 . 1 1 80 80 ASN N N 15 115.9 0.1 . 1 . . . . 80 ASN N . 17998 1 447 . 1 1 81 81 SER H H 1 8.05 0.01 . 1 . . . . 81 SER H . 17998 1 448 . 1 1 81 81 SER C C 13 174.1 0.1 . 1 . . . . 81 SER C . 17998 1 449 . 1 1 81 81 SER CA C 13 58.1 0.1 . 1 . . . . 81 SER CA . 17998 1 450 . 1 1 81 81 SER CB C 13 63.7 0.1 . 1 . . . . 81 SER CB . 17998 1 451 . 1 1 81 81 SER N N 15 117.6 0.1 . 1 . . . . 81 SER N . 17998 1 452 . 1 1 82 82 GLN H H 1 7.76 0.01 . 1 . . . . 82 GLN H . 17998 1 453 . 1 1 82 82 GLN C C 13 174.7 0.1 . 1 . . . . 82 GLN C . 17998 1 454 . 1 1 82 82 GLN CA C 13 57.2 0.1 . 1 . . . . 82 GLN CA . 17998 1 455 . 1 1 82 82 GLN CB C 13 26.8 0.1 . 1 . . . . 82 GLN CB . 17998 1 456 . 1 1 82 82 GLN CG C 13 34.7 0.1 . 1 . . . . 82 GLN CG . 17998 1 457 . 1 1 82 82 GLN N N 15 118.1 0.1 . 1 . . . . 82 GLN N . 17998 1 458 . 1 1 83 83 HIS H H 1 7.76 0.01 . 1 . . . . 83 HIS H . 17998 1 459 . 1 1 83 83 HIS C C 13 174.6 0.1 . 1 . . . . 83 HIS C . 17998 1 460 . 1 1 83 83 HIS CA C 13 55.7 0.1 . 1 . . . . 83 HIS CA . 17998 1 461 . 1 1 83 83 HIS CB C 13 31.0 0.1 . 1 . . . . 83 HIS CB . 17998 1 462 . 1 1 83 83 HIS N N 15 118.5 0.1 . 1 . . . . 83 HIS N . 17998 1 463 . 1 1 84 84 LYS H H 1 8.79 0.01 . 1 . . . . 84 LYS H . 17998 1 464 . 1 1 84 84 LYS C C 13 176.1 0.1 . 1 . . . . 84 LYS C . 17998 1 465 . 1 1 84 84 LYS CA C 13 56.0 0.1 . 1 . . . . 84 LYS CA . 17998 1 466 . 1 1 84 84 LYS CB C 13 31.5 0.1 . 1 . . . . 84 LYS CB . 17998 1 467 . 1 1 84 84 LYS N N 15 130.0 0.1 . 1 . . . . 84 LYS N . 17998 1 468 . 1 1 85 85 PHE H H 1 8.24 0.01 . 1 . . . . 85 PHE H . 17998 1 469 . 1 1 85 85 PHE C C 13 174.5 0.1 . 1 . . . . 85 PHE C . 17998 1 470 . 1 1 85 85 PHE CA C 13 56.1 0.1 . 1 . . . . 85 PHE CA . 17998 1 471 . 1 1 85 85 PHE CB C 13 40.2 0.1 . 1 . . . . 85 PHE CB . 17998 1 472 . 1 1 85 85 PHE N N 15 122.9 0.1 . 1 . . . . 85 PHE N . 17998 1 473 . 1 1 86 86 GLU H H 1 6.86 0.01 . 1 . . . . 86 GLU H . 17998 1 474 . 1 1 86 86 GLU C C 13 174.8 0.1 . 1 . . . . 86 GLU C . 17998 1 475 . 1 1 86 86 GLU CA C 13 56.0 0.1 . 1 . . . . 86 GLU CA . 17998 1 476 . 1 1 86 86 GLU CB C 13 34.6 0.1 . 1 . . . . 86 GLU CB . 17998 1 477 . 1 1 86 86 GLU CG C 13 37.1 0.1 . 1 . . . . 86 GLU CG . 17998 1 478 . 1 1 86 86 GLU N N 15 121.2 0.1 . 1 . . . . 86 GLU N . 17998 1 479 . 1 1 87 87 ASP H H 1 9.03 0.01 . 1 . . . . 87 ASP H . 17998 1 480 . 1 1 87 87 ASP C C 13 176.5 0.1 . 1 . . . . 87 ASP C . 17998 1 481 . 1 1 87 87 ASP CA C 13 54.1 0.1 . 1 . . . . 87 ASP CA . 17998 1 482 . 1 1 87 87 ASP CB C 13 41.5 0.1 . 1 . . . . 87 ASP CB . 17998 1 483 . 1 1 87 87 ASP N N 15 121.0 0.1 . 1 . . . . 87 ASP N . 17998 1 484 . 1 1 88 88 THR H H 1 9.30 0.01 . 1 . . . . 88 THR H . 17998 1 485 . 1 1 88 88 THR C C 13 177.8 0.1 . 1 . . . . 88 THR C . 17998 1 486 . 1 1 88 88 THR CA C 13 65.2 0.1 . 1 . . . . 88 THR CA . 17998 1 487 . 1 1 88 88 THR CB C 13 66.5 0.1 . 1 . . . . 88 THR CB . 17998 1 488 . 1 1 88 88 THR CG2 C 13 20.7 0.1 . 1 . . . . 88 THR CG2 . 17998 1 489 . 1 1 88 88 THR N N 15 119.0 0.1 . 1 . . . . 88 THR N . 17998 1 490 . 1 1 89 89 TRP H H 1 7.76 0.01 . 1 . . . . 89 TRP H . 17998 1 491 . 1 1 89 89 TRP C C 13 180.1 0.1 . 1 . . . . 89 TRP C . 17998 1 492 . 1 1 89 89 TRP CA C 13 63.3 0.1 . 1 . . . . 89 TRP CA . 17998 1 493 . 1 1 89 89 TRP CB C 13 27.8 0.1 . 1 . . . . 89 TRP CB . 17998 1 494 . 1 1 89 89 TRP N N 15 123.2 0.1 . 1 . . . . 89 TRP N . 17998 1 495 . 1 1 90 90 HIS H H 1 7.89 0.01 . 1 . . . . 90 HIS H . 17998 1 496 . 1 1 90 90 HIS C C 13 176.8 0.1 . 1 . . . . 90 HIS C . 17998 1 497 . 1 1 90 90 HIS CA C 13 58.6 0.1 . 1 . . . . 90 HIS CA . 17998 1 498 . 1 1 90 90 HIS CB C 13 29.5 0.1 . 1 . . . . 90 HIS CB . 17998 1 499 . 1 1 90 90 HIS N N 15 119.3 0.1 . 1 . . . . 90 HIS N . 17998 1 500 . 1 1 91 91 GLU H H 1 7.43 0.01 . 1 . . . . 91 GLU H . 17998 1 501 . 1 1 91 91 GLU C C 13 175.7 0.1 . 1 . . . . 91 GLU C . 17998 1 502 . 1 1 91 91 GLU CA C 13 56.1 0.1 . 1 . . . . 91 GLU CA . 17998 1 503 . 1 1 91 91 GLU CB C 13 30.0 0.1 . 1 . . . . 91 GLU CB . 17998 1 504 . 1 1 91 91 GLU CG C 13 36.2 0.1 . 1 . . . . 91 GLU CG . 17998 1 505 . 1 1 91 91 GLU N N 15 116.3 0.1 . 1 . . . . 91 GLU N . 17998 1 506 . 1 1 92 92 GLN H H 1 7.96 0.01 . 1 . . . . 92 GLN H . 17998 1 507 . 1 1 92 92 GLN C C 13 175.4 0.1 . 1 . . . . 92 GLN C . 17998 1 508 . 1 1 92 92 GLN CA C 13 57.1 0.1 . 1 . . . . 92 GLN CA . 17998 1 509 . 1 1 92 92 GLN CB C 13 27.0 0.1 . 1 . . . . 92 GLN CB . 17998 1 510 . 1 1 92 92 GLN CG C 13 34.2 0.1 . 1 . . . . 92 GLN CG . 17998 1 511 . 1 1 92 92 GLN N N 15 115.3 0.1 . 1 . . . . 92 GLN N . 17998 1 512 . 1 1 93 93 GLN H H 1 7.68 0.01 . 1 . . . . 93 GLN H . 17998 1 513 . 1 1 93 93 GLN C C 13 171.6 0.1 . 1 . . . . 93 GLN C . 17998 1 514 . 1 1 93 93 GLN CA C 13 52.7 0.1 . 1 . . . . 93 GLN CA . 17998 1 515 . 1 1 93 93 GLN CB C 13 30.7 0.1 . 1 . . . . 93 GLN CB . 17998 1 516 . 1 1 93 93 GLN N N 15 116.4 0.1 . 1 . . . . 93 GLN N . 17998 1 517 . 1 1 94 94 PRO C C 13 176.5 0.1 . 1 . . . . 94 PRO C . 17998 1 518 . 1 1 94 94 PRO CA C 13 62.8 0.1 . 9 . . . . 94 PRO CA . 17998 1 519 . 1 1 94 94 PRO CB C 13 32.0 0.1 . 1 . . . . 94 PRO CB . 17998 1 520 . 1 1 94 94 PRO CG C 13 26.4 0.1 . 1 . . . . 94 PRO CG . 17998 1 521 . 1 1 94 94 PRO CD C 13 50.3 0.1 . 1 . . . . 94 PRO CD . 17998 1 522 . 1 1 95 95 ILE H H 1 8.50 0.01 . 1 . . . . 95 ILE H . 17998 1 523 . 1 1 95 95 ILE C C 13 174.8 0.1 . 1 . . . . 95 ILE C . 17998 1 524 . 1 1 95 95 ILE CA C 13 59.3 0.1 . 1 . . . . 95 ILE CA . 17998 1 525 . 1 1 95 95 ILE CB C 13 40.3 0.1 . 1 . . . . 95 ILE CB . 17998 1 526 . 1 1 95 95 ILE CG1 C 13 27.0 0.1 . 1 . . . . 95 ILE CG1 . 17998 1 527 . 1 1 95 95 ILE CG2 C 13 19.0 0.1 . 1 . . . . 95 ILE CG2 . 17998 1 528 . 1 1 95 95 ILE CD1 C 13 14.0 0.1 . 1 . . . . 95 ILE CD1 . 17998 1 529 . 1 1 95 95 ILE N N 15 115.9 0.1 . 1 . . . . 95 ILE N . 17998 1 530 . 1 1 96 96 GLU H H 1 8.08 0.01 . 1 . . . . 96 GLU H . 17998 1 531 . 1 1 96 96 GLU C C 13 175.5 0.1 . 1 . . . . 96 GLU C . 17998 1 532 . 1 1 96 96 GLU CA C 13 54.2 0.1 . 1 . . . . 96 GLU CA . 17998 1 533 . 1 1 96 96 GLU CB C 13 31.7 0.1 . 1 . . . . 96 GLU CB . 17998 1 534 . 1 1 96 96 GLU CG C 13 36.0 0.1 . 1 . . . . 96 GLU CG . 17998 1 535 . 1 1 96 96 GLU N N 15 121.0 0.1 . 1 . . . . 96 GLU N . 17998 1 536 . 1 1 97 97 LEU H H 1 8.92 0.01 . 1 . . . . 97 LEU H . 17998 1 537 . 1 1 97 97 LEU C C 13 174.2 0.1 . 1 . . . . 97 LEU C . 17998 1 538 . 1 1 97 97 LEU CA C 13 54.3 0.1 . 1 . . . . 97 LEU CA . 17998 1 539 . 1 1 97 97 LEU CB C 13 46.4 0.1 . 1 . . . . 97 LEU CB . 17998 1 540 . 1 1 97 97 LEU CG C 13 27.7 0.1 . 1 . . . . 97 LEU CG . 17998 1 541 . 1 1 97 97 LEU CD1 C 13 25.8 0.1 . 2 . . . . 97 LEU CD1 . 17998 1 542 . 1 1 97 97 LEU CD2 C 13 25.8 0.1 . 2 . . . . 97 LEU CD2 . 17998 1 543 . 1 1 97 97 LEU N N 15 127.9 0.1 . 1 . . . . 97 LEU N . 17998 1 544 . 1 1 98 98 VAL H H 1 8.71 0.01 . 1 . . . . 98 VAL H . 17998 1 545 . 1 1 98 98 VAL C C 13 176.0 0.1 . 1 . . . . 98 VAL C . 17998 1 546 . 1 1 98 98 VAL CA C 13 61.3 0.1 . 1 . . . . 98 VAL CA . 17998 1 547 . 1 1 98 98 VAL CB C 13 31.0 0.1 . 1 . . . . 98 VAL CB . 17998 1 548 . 1 1 98 98 VAL CG1 C 13 20.9 0.1 . 1 . . . . 98 VAL CG1 . 17998 1 549 . 1 1 98 98 VAL CG2 C 13 20.9 0.1 . 1 . . . . 98 VAL CG2 . 17998 1 550 . 1 1 98 98 VAL N N 15 129.6 0.1 . 1 . . . . 98 VAL N . 17998 1 551 . 1 1 99 99 LEU H H 1 7.94 0.01 . 1 . . . . 99 LEU H . 17998 1 552 . 1 1 99 99 LEU C C 13 177.6 0.1 . 1 . . . . 99 LEU C . 17998 1 553 . 1 1 99 99 LEU CA C 13 56.5 0.1 . 1 . . . . 99 LEU CA . 17998 1 554 . 1 1 99 99 LEU CB C 13 41.0 0.1 . 1 . . . . 99 LEU CB . 17998 1 555 . 1 1 99 99 LEU CG C 13 26.9 0.1 . 1 . . . . 99 LEU CG . 17998 1 556 . 1 1 99 99 LEU CD1 C 13 25.7 0.1 . 2 . . . . 99 LEU CD1 . 17998 1 557 . 1 1 99 99 LEU CD2 C 13 23.2 0.1 . 2 . . . . 99 LEU CD2 . 17998 1 558 . 1 1 99 99 LEU N N 15 128.3 0.1 . 1 . . . . 99 LEU N . 17998 1 559 . 1 1 100 100 GLY H H 1 9.15 0.01 . 1 . . . . 100 GLY H . 17998 1 560 . 1 1 100 100 GLY C C 13 175.0 0.1 . 1 . . . . 100 GLY C . 17998 1 561 . 1 1 100 100 GLY CA C 13 45.0 0.1 . 1 . . . . 100 GLY CA . 17998 1 562 . 1 1 100 100 GLY N N 15 114.6 0.1 . 1 . . . . 100 GLY N . 17998 1 563 . 1 1 101 101 LYS H H 1 8.25 0.01 . 1 . . . . 101 LYS H . 17998 1 564 . 1 1 101 101 LYS C C 13 176.1 0.1 . 1 . . . . 101 LYS C . 17998 1 565 . 1 1 101 101 LYS CA C 13 54.5 0.1 . 1 . . . . 101 LYS CA . 17998 1 566 . 1 1 101 101 LYS CB C 13 33.4 0.1 . 1 . . . . 101 LYS CB . 17998 1 567 . 1 1 101 101 LYS CG C 13 25.5 0.1 . 1 . . . . 101 LYS CG . 17998 1 568 . 1 1 101 101 LYS CD C 13 29.4 0.1 . 1 . . . . 101 LYS CD . 17998 1 569 . 1 1 101 101 LYS CE C 13 42.2 0.1 . 1 . . . . 101 LYS CE . 17998 1 570 . 1 1 101 101 LYS N N 15 120.6 0.1 . 1 . . . . 101 LYS N . 17998 1 571 . 1 1 102 102 GLU H H 1 9.45 0.01 . 1 . . . . 102 GLU H . 17998 1 572 . 1 1 102 102 GLU C C 13 176.1 0.1 . 1 . . . . 102 GLU C . 17998 1 573 . 1 1 102 102 GLU CA C 13 56.2 0.1 . 1 . . . . 102 GLU CA . 17998 1 574 . 1 1 102 102 GLU CB C 13 29.2 0.1 . 1 . . . . 102 GLU CB . 17998 1 575 . 1 1 102 102 GLU CG C 13 34.7 0.1 . 1 . . . . 102 GLU CG . 17998 1 576 . 1 1 102 102 GLU N N 15 124.3 0.1 . 1 . . . . 102 GLU N . 17998 1 577 . 1 1 103 103 LYS H H 1 7.95 0.01 . 1 . . . . 103 LYS H . 17998 1 578 . 1 1 103 103 LYS C C 13 177.8 0.1 . 1 . . . . 103 LYS C . 17998 1 579 . 1 1 103 103 LYS CA C 13 56.3 0.1 . 1 . . . . 103 LYS CA . 17998 1 580 . 1 1 103 103 LYS CB C 13 33.1 0.1 . 1 . . . . 103 LYS CB . 17998 1 581 . 1 1 103 103 LYS CG C 13 25.2 0.1 . 1 . . . . 103 LYS CG . 17998 1 582 . 1 1 103 103 LYS CD C 13 29.7 0.1 . 1 . . . . 103 LYS CD . 17998 1 583 . 1 1 103 103 LYS CE C 13 42.0 0.1 . 1 . . . . 103 LYS CE . 17998 1 584 . 1 1 103 103 LYS N N 15 121.1 0.1 . 1 . . . . 103 LYS N . 17998 1 585 . 1 1 104 104 LYS H H 1 8.42 0.01 . 1 . . . . 104 LYS H . 17998 1 586 . 1 1 104 104 LYS C C 13 178.8 0.1 . 1 . . . . 104 LYS C . 17998 1 587 . 1 1 104 104 LYS CA C 13 59.7 0.1 . 1 . . . . 104 LYS CA . 17998 1 588 . 1 1 104 104 LYS CB C 13 32.3 0.1 . 1 . . . . 104 LYS CB . 17998 1 589 . 1 1 104 104 LYS CG C 13 24.1 0.1 . 1 . . . . 104 LYS CG . 17998 1 590 . 1 1 104 104 LYS CD C 13 29.2 0.1 . 1 . . . . 104 LYS CD . 17998 1 591 . 1 1 104 104 LYS CE C 13 42.2 0.1 . 1 . . . . 104 LYS CE . 17998 1 592 . 1 1 104 104 LYS N N 15 122.8 0.1 . 1 . . . . 104 LYS N . 17998 1 593 . 1 1 105 105 GLU H H 1 9.46 0.01 . 1 . . . . 105 GLU H . 17998 1 594 . 1 1 105 105 GLU C C 13 175.0 0.1 . 1 . . . . 105 GLU C . 17998 1 595 . 1 1 105 105 GLU CA C 13 58.3 0.1 . 1 . . . . 105 GLU CA . 17998 1 596 . 1 1 105 105 GLU CB C 13 27.0 0.1 . 1 . . . . 105 GLU CB . 17998 1 597 . 1 1 105 105 GLU CG C 13 36.3 0.1 . 1 . . . . 105 GLU CG . 17998 1 598 . 1 1 105 105 GLU N N 15 117.6 0.1 . 1 . . . . 105 GLU N . 17998 1 599 . 1 1 106 106 LEU H H 1 7.54 0.01 . 1 . . . . 106 LEU H . 17998 1 600 . 1 1 106 106 LEU C C 13 176.6 0.1 . 1 . . . . 106 LEU C . 17998 1 601 . 1 1 106 106 LEU CA C 13 53.0 0.1 . 1 . . . . 106 LEU CA . 17998 1 602 . 1 1 106 106 LEU CB C 13 41.4 0.1 . 1 . . . . 106 LEU CB . 17998 1 603 . 1 1 106 106 LEU CG C 13 27.2 0.1 . 9 . . . . 106 LEU CG . 17998 1 604 . 1 1 106 106 LEU CD1 C 13 26.0 0.1 . 2 . . . . 106 LEU CD1 . 17998 1 605 . 1 1 106 106 LEU CD2 C 13 22.1 0.1 . 2 . . . . 106 LEU CD2 . 17998 1 606 . 1 1 106 106 LEU N N 15 116.1 0.1 . 1 . . . . 106 LEU N . 17998 1 607 . 1 1 107 107 ALA H H 1 7.53 0.01 . 1 . . . . 107 ALA H . 17998 1 608 . 1 1 107 107 ALA C C 13 181.1 0.1 . 1 . . . . 107 ALA C . 17998 1 609 . 1 1 107 107 ALA CA C 13 56.0 0.1 . 1 . . . . 107 ALA CA . 17998 1 610 . 1 1 107 107 ALA CB C 13 18.5 0.1 . 1 . . . . 107 ALA CB . 17998 1 611 . 1 1 107 107 ALA N N 15 123.4 0.1 . 1 . . . . 107 ALA N . 17998 1 612 . 1 1 108 108 GLY H H 1 8.65 0.01 . 1 . . . . 108 GLY H . 17998 1 613 . 1 1 108 108 GLY C C 13 174.8 0.1 . 1 . . . . 108 GLY C . 17998 1 614 . 1 1 108 108 GLY CA C 13 47.5 0.1 . 1 . . . . 108 GLY CA . 17998 1 615 . 1 1 108 108 GLY N N 15 106.0 0.1 . 1 . . . . 108 GLY N . 17998 1 616 . 1 1 109 109 LEU H H 1 8.13 0.01 . 1 . . . . 109 LEU H . 17998 1 617 . 1 1 109 109 LEU C C 13 178.1 0.1 . 1 . . . . 109 LEU C . 17998 1 618 . 1 1 109 109 LEU CA C 13 58.0 0.1 . 1 . . . . 109 LEU CA . 17998 1 619 . 1 1 109 109 LEU CB C 13 39.9 0.1 . 1 . . . . 109 LEU CB . 17998 1 620 . 1 1 109 109 LEU CG C 13 26.8 0.1 . 9 . . . . 109 LEU CG . 17998 1 621 . 1 1 109 109 LEU CD1 C 13 25.3 0.1 . 2 . . . . 109 LEU CD1 . 17998 1 622 . 1 1 109 109 LEU CD2 C 13 22.2 0.1 . 2 . . . . 109 LEU CD2 . 17998 1 623 . 1 1 109 109 LEU N N 15 123.7 0.1 . 1 . . . . 109 LEU N . 17998 1 624 . 1 1 110 110 ALA H H 1 8.53 0.01 . 1 . . . . 110 ALA H . 17998 1 625 . 1 1 110 110 ALA C C 13 179.7 0.1 . 1 . . . . 110 ALA C . 17998 1 626 . 1 1 110 110 ALA CA C 13 55.4 0.1 . 1 . . . . 110 ALA CA . 17998 1 627 . 1 1 110 110 ALA CB C 13 18.1 0.1 . 1 . . . . 110 ALA CB . 17998 1 628 . 1 1 110 110 ALA N N 15 119.1 0.1 . 1 . . . . 110 ALA N . 17998 1 629 . 1 1 111 111 ILE H H 1 7.39 0.01 . 1 . . . . 111 ILE H . 17998 1 630 . 1 1 111 111 ILE C C 13 178.8 0.1 . 1 . . . . 111 ILE C . 17998 1 631 . 1 1 111 111 ILE CA C 13 65.6 0.1 . 1 . . . . 111 ILE CA . 17998 1 632 . 1 1 111 111 ILE CB C 13 37.9 0.1 . 1 . . . . 111 ILE CB . 17998 1 633 . 1 1 111 111 ILE CG2 C 13 17.4 0.1 . 1 . . . . 111 ILE CG2 . 17998 1 634 . 1 1 111 111 ILE CD1 C 13 14.2 0.1 . 9 . . . . 111 ILE CD1 . 17998 1 635 . 1 1 111 111 ILE N N 15 120.7 0.1 . 1 . . . . 111 ILE N . 17998 1 636 . 1 1 112 112 GLY H H 1 7.70 0.01 . 1 . . . . 112 GLY H . 17998 1 637 . 1 1 112 112 GLY C C 13 176.0 0.1 . 1 . . . . 112 GLY C . 17998 1 638 . 1 1 112 112 GLY CA C 13 47.0 0.1 . 1 . . . . 112 GLY CA . 17998 1 639 . 1 1 112 112 GLY N N 15 105.7 0.1 . 1 . . . . 112 GLY N . 17998 1 640 . 1 1 113 113 VAL H H 1 9.11 0.01 . 1 . . . . 113 VAL H . 17998 1 641 . 1 1 113 113 VAL C C 13 176.8 0.1 . 1 . . . . 113 VAL C . 17998 1 642 . 1 1 113 113 VAL CA C 13 66.1 0.1 . 1 . . . . 113 VAL CA . 17998 1 643 . 1 1 113 113 VAL CB C 13 31.6 0.1 . 1 . . . . 113 VAL CB . 17998 1 644 . 1 1 113 113 VAL CG1 C 13 23.5 0.1 . 2 . . . . 113 VAL CG1 . 17998 1 645 . 1 1 113 113 VAL CG2 C 13 22.6 0.1 . 2 . . . . 113 VAL CG2 . 17998 1 646 . 1 1 113 113 VAL N N 15 125.4 0.1 . 1 . . . . 113 VAL N . 17998 1 647 . 1 1 114 114 ALA H H 1 7.88 0.01 . 1 . . . . 114 ALA H . 17998 1 648 . 1 1 114 114 ALA C C 13 177.2 0.1 . 1 . . . . 114 ALA C . 17998 1 649 . 1 1 114 114 ALA CA C 13 53.9 0.1 . 1 . . . . 114 ALA CA . 17998 1 650 . 1 1 114 114 ALA CB C 13 18.2 0.1 . 1 . . . . 114 ALA CB . 17998 1 651 . 1 1 114 114 ALA N N 15 119.0 0.1 . 1 . . . . 114 ALA N . 17998 1 652 . 1 1 115 115 SER H H 1 7.29 0.01 . 1 . . . . 115 SER H . 17998 1 653 . 1 1 115 115 SER C C 13 174.3 0.1 . 1 . . . . 115 SER C . 17998 1 654 . 1 1 115 115 SER CA C 13 58.4 0.1 . 1 . . . . 115 SER CA . 17998 1 655 . 1 1 115 115 SER CB C 13 66.1 0.1 . 1 . . . . 115 SER CB . 17998 1 656 . 1 1 115 115 SER N N 15 110.2 0.1 . 1 . . . . 115 SER N . 17998 1 657 . 1 1 116 116 MET H H 1 7.87 0.01 . 1 . . . . 116 MET H . 17998 1 658 . 1 1 116 116 MET C C 13 173.2 0.1 . 1 . . . . 116 MET C . 17998 1 659 . 1 1 116 116 MET CA C 13 56.3 0.1 . 1 . . . . 116 MET CA . 17998 1 660 . 1 1 116 116 MET CB C 13 35.0 0.1 . 1 . . . . 116 MET CB . 17998 1 661 . 1 1 116 116 MET N N 15 126.1 0.1 . 1 . . . . 116 MET N . 17998 1 662 . 1 1 117 117 LYS H H 1 7.26 0.01 . 1 . . . . 117 LYS H . 17998 1 663 . 1 1 117 117 LYS C C 13 176.9 0.1 . 1 . . . . 117 LYS C . 17998 1 664 . 1 1 117 117 LYS CA C 13 54.6 0.1 . 1 . . . . 117 LYS CA . 17998 1 665 . 1 1 117 117 LYS CB C 13 35.6 0.1 . 1 . . . . 117 LYS CB . 17998 1 666 . 1 1 117 117 LYS CG C 13 26.3 0.1 . 1 . . . . 117 LYS CG . 17998 1 667 . 1 1 117 117 LYS CD C 13 29.7 0.1 . 1 . . . . 117 LYS CD . 17998 1 668 . 1 1 117 117 LYS CE C 13 42.6 0.1 . 1 . . . . 117 LYS CE . 17998 1 669 . 1 1 117 117 LYS N N 15 115.9 0.1 . 1 . . . . 117 LYS N . 17998 1 670 . 1 1 118 118 SER H H 1 8.48 0.01 . 1 . . . . 118 SER H . 17998 1 671 . 1 1 118 118 SER C C 13 175.0 0.1 . 1 . . . . 118 SER C . 17998 1 672 . 1 1 118 118 SER CA C 13 61.3 0.1 . 1 . . . . 118 SER CA . 17998 1 673 . 1 1 118 118 SER CB C 13 62.8 0.1 . 1 . . . . 118 SER CB . 17998 1 674 . 1 1 118 118 SER N N 15 114.5 0.1 . 1 . . . . 118 SER N . 17998 1 675 . 1 1 119 119 GLY H H 1 8.51 0.01 . 1 . . . . 119 GLY H . 17998 1 676 . 1 1 119 119 GLY C C 13 173.8 0.1 . 1 . . . . 119 GLY C . 17998 1 677 . 1 1 119 119 GLY CA C 13 45.2 0.1 . 1 . . . . 119 GLY CA . 17998 1 678 . 1 1 119 119 GLY N N 15 114.5 0.1 . 1 . . . . 119 GLY N . 17998 1 679 . 1 1 120 120 GLU H H 1 8.19 0.01 . 1 . . . . 120 GLU H . 17998 1 680 . 1 1 120 120 GLU C C 13 174.5 0.1 . 1 . . . . 120 GLU C . 17998 1 681 . 1 1 120 120 GLU CA C 13 55.9 0.1 . 1 . . . . 120 GLU CA . 17998 1 682 . 1 1 120 120 GLU CB C 13 33.4 0.1 . 1 . . . . 120 GLU CB . 17998 1 683 . 1 1 120 120 GLU CG C 13 37.6 0.1 . 1 . . . . 120 GLU CG . 17998 1 684 . 1 1 120 120 GLU N N 15 123.5 0.1 . 1 . . . . 120 GLU N . 17998 1 685 . 1 1 121 121 ARG H H 1 8.80 0.01 . 1 . . . . 121 ARG H . 17998 1 686 . 1 1 121 121 ARG C C 13 175.7 0.1 . 1 . . . . 121 ARG C . 17998 1 687 . 1 1 121 121 ARG CA C 13 53.4 0.1 . 1 . . . . 121 ARG CA . 17998 1 688 . 1 1 121 121 ARG CB C 13 34.6 0.1 . 1 . . . . 121 ARG CB . 17998 1 689 . 1 1 121 121 ARG CG C 13 27.7 0.1 . 9 . . . . 121 ARG CG . 17998 1 690 . 1 1 121 121 ARG CD C 13 43.7 0.1 . 1 . . . . 121 ARG CD . 17998 1 691 . 1 1 121 121 ARG N N 15 124.2 0.1 . 1 . . . . 121 ARG N . 17998 1 692 . 1 1 122 122 ALA H H 1 9.74 0.01 . 1 . . . . 122 ALA H . 17998 1 693 . 1 1 122 122 ALA C C 13 174.4 0.1 . 1 . . . . 122 ALA C . 17998 1 694 . 1 1 122 122 ALA CA C 13 51.5 0.1 . 1 . . . . 122 ALA CA . 17998 1 695 . 1 1 122 122 ALA CB C 13 23.7 0.1 . 1 . . . . 122 ALA CB . 17998 1 696 . 1 1 122 122 ALA N N 15 129.6 0.1 . 1 . . . . 122 ALA N . 17998 1 697 . 1 1 123 123 LEU H H 1 9.21 0.01 . 1 . . . . 123 LEU H . 17998 1 698 . 1 1 123 123 LEU C C 13 176.0 0.1 . 1 . . . . 123 LEU C . 17998 1 699 . 1 1 123 123 LEU CA C 13 53.1 0.1 . 1 . . . . 123 LEU CA . 17998 1 700 . 1 1 123 123 LEU CB C 13 43.9 0.1 . 1 . . . . 123 LEU CB . 17998 1 701 . 1 1 123 123 LEU CD1 C 13 24.9 0.1 . 2 . . . . 123 LEU CD1 . 17998 1 702 . 1 1 123 123 LEU CD2 C 13 24.3 0.1 . 2 . . . . 123 LEU CD2 . 17998 1 703 . 1 1 123 123 LEU N N 15 120.1 0.1 . 1 . . . . 123 LEU N . 17998 1 704 . 1 1 124 124 VAL H H 1 9.96 0.01 . 1 . . . . 124 VAL H . 17998 1 705 . 1 1 124 124 VAL C C 13 174.5 0.1 . 1 . . . . 124 VAL C . 17998 1 706 . 1 1 124 124 VAL CA C 13 61.4 0.1 . 1 . . . . 124 VAL CA . 17998 1 707 . 1 1 124 124 VAL CB C 13 34.0 0.1 . 1 . . . . 124 VAL CB . 17998 1 708 . 1 1 124 124 VAL CG1 C 13 22.4 0.1 . 2 . . . . 124 VAL CG1 . 17998 1 709 . 1 1 124 124 VAL CG2 C 13 21.7 0.1 . 2 . . . . 124 VAL CG2 . 17998 1 710 . 1 1 124 124 VAL N N 15 126.6 0.1 . 1 . . . . 124 VAL N . 17998 1 711 . 1 1 125 125 HIS H H 1 9.43 0.01 . 1 . . . . 125 HIS H . 17998 1 712 . 1 1 125 125 HIS C C 13 175.4 0.1 . 1 . . . . 125 HIS C . 17998 1 713 . 1 1 125 125 HIS CA C 13 55.5 0.1 . 1 . . . . 125 HIS CA . 17998 1 714 . 1 1 125 125 HIS CB C 13 31.7 0.1 . 1 . . . . 125 HIS CB . 17998 1 715 . 1 1 125 125 HIS N N 15 130.3 0.1 . 1 . . . . 125 HIS N . 17998 1 716 . 1 1 126 126 VAL H H 1 8.71 0.01 . 1 . . . . 126 VAL H . 17998 1 717 . 1 1 126 126 VAL C C 13 174.8 0.1 . 1 . . . . 126 VAL C . 17998 1 718 . 1 1 126 126 VAL CA C 13 61.5 0.1 . 1 . . . . 126 VAL CA . 17998 1 719 . 1 1 126 126 VAL CB C 13 36.7 0.1 . 1 . . . . 126 VAL CB . 17998 1 720 . 1 1 126 126 VAL CG1 C 13 22.8 0.1 . 1 . . . . 126 VAL CG1 . 17998 1 721 . 1 1 126 126 VAL CG2 C 13 22.8 0.1 . 1 . . . . 126 VAL CG2 . 17998 1 722 . 1 1 126 126 VAL N N 15 123.9 0.1 . 1 . . . . 126 VAL N . 17998 1 723 . 1 1 127 127 GLY H H 1 8.85 0.01 . 1 . . . . 127 GLY H . 17998 1 724 . 1 1 127 127 GLY C C 13 174.7 0.1 . 1 . . . . 127 GLY C . 17998 1 725 . 1 1 127 127 GLY CA C 13 45.6 0.1 . 1 . . . . 127 GLY CA . 17998 1 726 . 1 1 127 127 GLY N N 15 114.7 0.1 . 1 . . . . 127 GLY N . 17998 1 727 . 1 1 128 128 TRP H H 1 8.41 0.01 . 1 . . . . 128 TRP H . 17998 1 728 . 1 1 128 128 TRP C C 13 178.5 0.1 . 1 . . . . 128 TRP C . 17998 1 729 . 1 1 128 128 TRP CA C 13 59.4 0.1 . 1 . . . . 128 TRP CA . 17998 1 730 . 1 1 128 128 TRP CB C 13 29.2 0.1 . 1 . . . . 128 TRP CB . 17998 1 731 . 1 1 128 128 TRP N N 15 122.2 0.1 . 1 . . . . 128 TRP N . 17998 1 732 . 1 1 129 129 GLU H H 1 9.75 0.01 . 1 . . . . 129 GLU H . 17998 1 733 . 1 1 129 129 GLU C C 13 178.4 0.1 . 1 . . . . 129 GLU C . 17998 1 734 . 1 1 129 129 GLU CA C 13 60.4 0.1 . 1 . . . . 129 GLU CA . 17998 1 735 . 1 1 129 129 GLU CB C 13 29.3 0.1 . 1 . . . . 129 GLU CB . 17998 1 736 . 1 1 129 129 GLU CG C 13 35.4 0.1 . 1 . . . . 129 GLU CG . 17998 1 737 . 1 1 129 129 GLU N N 15 124.6 0.1 . 1 . . . . 129 GLU N . 17998 1 738 . 1 1 130 130 LEU H H 1 7.70 0.01 . 1 . . . . 130 LEU H . 17998 1 739 . 1 1 130 130 LEU C C 13 174.3 0.1 . 1 . . . . 130 LEU C . 17998 1 740 . 1 1 130 130 LEU CA C 13 53.0 0.1 . 1 . . . . 130 LEU CA . 17998 1 741 . 1 1 130 130 LEU CB C 13 42.2 0.1 . 1 . . . . 130 LEU CB . 17998 1 742 . 1 1 130 130 LEU CD1 C 13 27.4 0.1 . 2 . . . . 130 LEU CD1 . 17998 1 743 . 1 1 130 130 LEU CD2 C 13 23.2 0.1 . 2 . . . . 130 LEU CD2 . 17998 1 744 . 1 1 130 130 LEU N N 15 118.4 0.1 . 1 . . . . 130 LEU N . 17998 1 745 . 1 1 131 131 ALA H H 1 7.54 0.01 . 1 . . . . 131 ALA H . 17998 1 746 . 1 1 131 131 ALA C C 13 177.5 0.1 . 1 . . . . 131 ALA C . 17998 1 747 . 1 1 131 131 ALA CA C 13 51.3 0.1 . 1 . . . . 131 ALA CA . 17998 1 748 . 1 1 131 131 ALA CB C 13 19.7 0.1 . 1 . . . . 131 ALA CB . 17998 1 749 . 1 1 131 131 ALA N N 15 124.1 0.1 . 1 . . . . 131 ALA N . 17998 1 750 . 1 1 132 132 TYR H H 1 9.10 0.01 . 1 . . . . 132 TYR H . 17998 1 751 . 1 1 132 132 TYR C C 13 176.9 0.1 . 1 . . . . 132 TYR C . 17998 1 752 . 1 1 132 132 TYR CA C 13 60.5 0.1 . 1 . . . . 132 TYR CA . 17998 1 753 . 1 1 132 132 TYR CB C 13 36.5 0.1 . 1 . . . . 132 TYR CB . 17998 1 754 . 1 1 132 132 TYR N N 15 121.8 0.1 . 1 . . . . 132 TYR N . 17998 1 755 . 1 1 133 133 GLY H H 1 8.22 0.01 . 1 . . . . 133 GLY H . 17998 1 756 . 1 1 133 133 GLY C C 13 175.5 0.1 . 1 . . . . 133 GLY C . 17998 1 757 . 1 1 133 133 GLY CA C 13 46.9 0.1 . 1 . . . . 133 GLY CA . 17998 1 758 . 1 1 133 133 GLY N N 15 103.9 0.1 . 1 . . . . 133 GLY N . 17998 1 759 . 1 1 134 134 LYS H H 1 9.26 0.01 . 1 . . . . 134 LYS H . 17998 1 760 . 1 1 134 134 LYS C C 13 177.6 0.1 . 1 . . . . 134 LYS C . 17998 1 761 . 1 1 134 134 LYS CA C 13 59.0 0.1 . 1 . . . . 134 LYS CA . 17998 1 762 . 1 1 134 134 LYS CB C 13 32.6 0.1 . 1 . . . . 134 LYS CB . 17998 1 763 . 1 1 134 134 LYS CG C 13 25.4 0.1 . 1 . . . . 134 LYS CG . 17998 1 764 . 1 1 134 134 LYS CD C 13 29.6 0.1 . 1 . . . . 134 LYS CD . 17998 1 765 . 1 1 134 134 LYS CE C 13 42.2 0.1 . 1 . . . . 134 LYS CE . 17998 1 766 . 1 1 134 134 LYS N N 15 123.0 0.1 . 1 . . . . 134 LYS N . 17998 1 767 . 1 1 135 135 GLU H H 1 8.86 0.01 . 1 . . . . 135 GLU H . 17998 1 768 . 1 1 135 135 GLU C C 13 178.6 0.1 . 1 . . . . 135 GLU C . 17998 1 769 . 1 1 135 135 GLU CA C 13 57.3 0.1 . 1 . . . . 135 GLU CA . 17998 1 770 . 1 1 135 135 GLU CB C 13 30.0 0.1 . 1 . . . . 135 GLU CB . 17998 1 771 . 1 1 135 135 GLU CG C 13 36.8 0.1 . 1 . . . . 135 GLU CG . 17998 1 772 . 1 1 135 135 GLU N N 15 114.2 0.1 . 1 . . . . 135 GLU N . 17998 1 773 . 1 1 136 136 GLY H H 1 6.96 0.01 . 1 . . . . 136 GLY H . 17998 1 774 . 1 1 136 136 GLY C C 13 171.3 0.1 . 1 . . . . 136 GLY C . 17998 1 775 . 1 1 136 136 GLY CA C 13 44.7 0.1 . 1 . . . . 136 GLY CA . 17998 1 776 . 1 1 136 136 GLY N N 15 104.9 0.1 . 1 . . . . 136 GLY N . 17998 1 777 . 1 1 137 137 ASN H H 1 9.00 0.01 . 1 . . . . 137 ASN H . 17998 1 778 . 1 1 137 137 ASN C C 13 174.6 0.1 . 1 . . . . 137 ASN C . 17998 1 779 . 1 1 137 137 ASN CA C 13 53.0 0.1 . 1 . . . . 137 ASN CA . 17998 1 780 . 1 1 137 137 ASN CB C 13 43.3 0.1 . 1 . . . . 137 ASN CB . 17998 1 781 . 1 1 137 137 ASN N N 15 120.6 0.1 . 1 . . . . 137 ASN N . 17998 1 782 . 1 1 138 138 PHE H H 1 8.76 0.01 . 1 . . . . 138 PHE H . 17998 1 783 . 1 1 138 138 PHE C C 13 175.9 0.1 . 1 . . . . 138 PHE C . 17998 1 784 . 1 1 138 138 PHE CA C 13 60.5 0.1 . 1 . . . . 138 PHE CA . 17998 1 785 . 1 1 138 138 PHE CB C 13 39.3 0.1 . 1 . . . . 138 PHE CB . 17998 1 786 . 1 1 138 138 PHE N N 15 125.8 0.1 . 1 . . . . 138 PHE N . 17998 1 787 . 1 1 139 139 SER H H 1 7.33 0.01 . 1 . . . . 139 SER H . 17998 1 788 . 1 1 139 139 SER C C 13 171.9 0.1 . 1 . . . . 139 SER C . 17998 1 789 . 1 1 139 139 SER CA C 13 56.7 0.1 . 1 . . . . 139 SER CA . 17998 1 790 . 1 1 139 139 SER CB C 13 64.4 0.1 . 1 . . . . 139 SER CB . 17998 1 791 . 1 1 139 139 SER N N 15 111.2 0.1 . 1 . . . . 139 SER N . 17998 1 792 . 1 1 140 140 PHE H H 1 8.28 0.01 . 1 . . . . 140 PHE H . 17998 1 793 . 1 1 140 140 PHE C C 13 174.0 0.1 . 1 . . . . 140 PHE C . 17998 1 794 . 1 1 140 140 PHE CA C 13 57.5 0.1 . 1 . . . . 140 PHE CA . 17998 1 795 . 1 1 140 140 PHE CB C 13 38.1 0.1 . 1 . . . . 140 PHE CB . 17998 1 796 . 1 1 140 140 PHE N N 15 117.2 0.1 . 1 . . . . 140 PHE N . 17998 1 797 . 1 1 141 141 PRO C C 13 175.2 0.1 . 1 . . . . 141 PRO C . 17998 1 798 . 1 1 141 141 PRO CA C 13 62.9 0.1 . 1 . . . . 141 PRO CA . 17998 1 799 . 1 1 141 141 PRO CB C 13 34.8 0.1 . 9 . . . . 141 PRO CB . 17998 1 800 . 1 1 141 141 PRO CG C 13 23.7 0.1 . 1 . . . . 141 PRO CG . 17998 1 801 . 1 1 141 141 PRO CD C 13 50.3 0.1 . 1 . . . . 141 PRO CD . 17998 1 802 . 1 1 142 142 ASN H H 1 8.33 0.01 . 1 . . . . 142 ASN H . 17998 1 803 . 1 1 142 142 ASN C C 13 173.7 0.1 . 1 . . . . 142 ASN C . 17998 1 804 . 1 1 142 142 ASN CA C 13 52.9 0.1 . 1 . . . . 142 ASN CA . 17998 1 805 . 1 1 142 142 ASN CB C 13 39.0 0.1 . 1 . . . . 142 ASN CB . 17998 1 806 . 1 1 142 142 ASN N N 15 118.0 0.1 . 1 . . . . 142 ASN N . 17998 1 807 . 1 1 143 143 VAL H H 1 8.36 0.01 . 1 . . . . 143 VAL H . 17998 1 808 . 1 1 143 143 VAL C C 13 173.7 0.1 . 1 . . . . 143 VAL C . 17998 1 809 . 1 1 143 143 VAL CA C 13 58.9 0.1 . 1 . . . . 143 VAL CA . 17998 1 810 . 1 1 143 143 VAL CB C 13 36.3 0.1 . 1 . . . . 143 VAL CB . 17998 1 811 . 1 1 143 143 VAL N N 15 125.7 0.1 . 1 . . . . 143 VAL N . 17998 1 812 . 1 1 145 145 PRO C C 13 175.8 0.1 . 1 . . . . 145 PRO C . 17998 1 813 . 1 1 145 145 PRO CA C 13 63.1 0.1 . 1 . . . . 145 PRO CA . 17998 1 814 . 1 1 145 145 PRO CB C 13 32.8 0.1 . 1 . . . . 145 PRO CB . 17998 1 815 . 1 1 145 145 PRO CG C 13 27.5 0.1 . 9 . . . . 145 PRO CG . 17998 1 816 . 1 1 145 145 PRO CD C 13 50.9 0.1 . 9 . . . . 145 PRO CD . 17998 1 817 . 1 1 146 146 MET H H 1 7.11 0.01 . 1 . . . . 146 MET H . 17998 1 818 . 1 1 146 146 MET C C 13 173.0 0.1 . 1 . . . . 146 MET C . 17998 1 819 . 1 1 146 146 MET CA C 13 56.7 0.1 . 1 . . . . 146 MET CA . 17998 1 820 . 1 1 146 146 MET CB C 13 30.4 0.1 . 1 . . . . 146 MET CB . 17998 1 821 . 1 1 146 146 MET CG C 13 31.7 0.1 . 1 . . . . 146 MET CG . 17998 1 822 . 1 1 146 146 MET N N 15 116.2 0.1 . 1 . . . . 146 MET N . 17998 1 823 . 1 1 147 147 ALA H H 1 7.78 0.01 . 1 . . . . 147 ALA H . 17998 1 824 . 1 1 147 147 ALA C C 13 175.4 0.1 . 1 . . . . 147 ALA C . 17998 1 825 . 1 1 147 147 ALA CA C 13 51.1 0.1 . 1 . . . . 147 ALA CA . 17998 1 826 . 1 1 147 147 ALA CB C 13 20.0 0.1 . 1 . . . . 147 ALA CB . 17998 1 827 . 1 1 147 147 ALA N N 15 121.4 0.1 . 1 . . . . 147 ALA N . 17998 1 828 . 1 1 148 148 ASP H H 1 8.50 0.01 . 1 . . . . 148 ASP H . 17998 1 829 . 1 1 148 148 ASP C C 13 177.2 0.1 . 1 . . . . 148 ASP C . 17998 1 830 . 1 1 148 148 ASP CA C 13 55.7 0.1 . 1 . . . . 148 ASP CA . 17998 1 831 . 1 1 148 148 ASP CB C 13 40.7 0.1 . 1 . . . . 148 ASP CB . 17998 1 832 . 1 1 148 148 ASP N N 15 126.9 0.1 . 1 . . . . 148 ASP N . 17998 1 833 . 1 1 149 149 LEU H H 1 9.51 0.01 . 1 . . . . 149 LEU H . 17998 1 834 . 1 1 149 149 LEU C C 13 176.0 0.1 . 1 . . . . 149 LEU C . 17998 1 835 . 1 1 149 149 LEU CA C 13 54.2 0.1 . 1 . . . . 149 LEU CA . 17998 1 836 . 1 1 149 149 LEU CB C 13 47.6 0.1 . 1 . . . . 149 LEU CB . 17998 1 837 . 1 1 149 149 LEU N N 15 121.7 0.1 . 1 . . . . 149 LEU N . 17998 1 838 . 1 1 150 150 LEU H H 1 8.98 0.01 . 1 . . . . 150 LEU H . 17998 1 839 . 1 1 150 150 LEU C C 13 174.6 0.1 . 1 . . . . 150 LEU C . 17998 1 840 . 1 1 150 150 LEU CA C 13 53.8 0.1 . 1 . . . . 150 LEU CA . 17998 1 841 . 1 1 150 150 LEU CB C 13 46.9 0.1 . 1 . . . . 150 LEU CB . 17998 1 842 . 1 1 150 150 LEU CD1 C 13 25.4 0.1 . 2 . . . . 150 LEU CD1 . 17998 1 843 . 1 1 150 150 LEU CD2 C 13 24.7 0.1 . 2 . . . . 150 LEU CD2 . 17998 1 844 . 1 1 150 150 LEU N N 15 122.5 0.1 . 1 . . . . 150 LEU N . 17998 1 845 . 1 1 151 151 TYR H H 1 9.44 0.01 . 1 . . . . 151 TYR H . 17998 1 846 . 1 1 151 151 TYR C C 13 176.0 0.1 . 1 . . . . 151 TYR C . 17998 1 847 . 1 1 151 151 TYR CA C 13 56.1 0.1 . 1 . . . . 151 TYR CA . 17998 1 848 . 1 1 151 151 TYR CB C 13 42.0 0.1 . 1 . . . . 151 TYR CB . 17998 1 849 . 1 1 151 151 TYR N N 15 121.0 0.1 . 1 . . . . 151 TYR N . 17998 1 850 . 1 1 152 152 GLU H H 1 9.44 0.01 . 1 . . . . 152 GLU H . 17998 1 851 . 1 1 152 152 GLU C C 13 174.7 0.1 . 1 . . . . 152 GLU C . 17998 1 852 . 1 1 152 152 GLU CA C 13 55.6 0.1 . 1 . . . . 152 GLU CA . 17998 1 853 . 1 1 152 152 GLU CB C 13 32.5 0.1 . 1 . . . . 152 GLU CB . 17998 1 854 . 1 1 152 152 GLU CG C 13 36.4 0.1 . 1 . . . . 152 GLU CG . 17998 1 855 . 1 1 152 152 GLU N N 15 126.0 0.1 . 1 . . . . 152 GLU N . 17998 1 856 . 1 1 153 153 VAL H H 1 9.39 0.01 . 1 . . . . 153 VAL H . 17998 1 857 . 1 1 153 153 VAL C C 13 173.6 0.1 . 1 . . . . 153 VAL C . 17998 1 858 . 1 1 153 153 VAL CA C 13 59.4 0.1 . 1 . . . . 153 VAL CA . 17998 1 859 . 1 1 153 153 VAL CB C 13 35.9 0.1 . 1 . . . . 153 VAL CB . 17998 1 860 . 1 1 153 153 VAL CG1 C 13 23.2 0.1 . 2 . . . . 153 VAL CG1 . 17998 1 861 . 1 1 153 153 VAL CG2 C 13 21.0 0.1 . 2 . . . . 153 VAL CG2 . 17998 1 862 . 1 1 153 153 VAL N N 15 126.1 0.1 . 1 . . . . 153 VAL N . 17998 1 863 . 1 1 154 154 GLU H H 1 9.28 0.01 . 1 . . . . 154 GLU H . 17998 1 864 . 1 1 154 154 GLU C C 13 175.5 0.1 . 1 . . . . 154 GLU C . 17998 1 865 . 1 1 154 154 GLU CA C 13 54.6 0.1 . 1 . . . . 154 GLU CA . 17998 1 866 . 1 1 154 154 GLU CB C 13 35.3 0.1 . 1 . . . . 154 GLU CB . 17998 1 867 . 1 1 154 154 GLU CG C 13 36.6 0.1 . 1 . . . . 154 GLU CG . 17998 1 868 . 1 1 154 154 GLU N N 15 128.1 0.1 . 1 . . . . 154 GLU N . 17998 1 869 . 1 1 155 155 VAL H H 1 8.03 0.01 . 1 . . . . 155 VAL H . 17998 1 870 . 1 1 155 155 VAL C C 13 176.3 0.1 . 1 . . . . 155 VAL C . 17998 1 871 . 1 1 155 155 VAL CA C 13 62.7 0.1 . 1 . . . . 155 VAL CA . 17998 1 872 . 1 1 155 155 VAL CB C 13 32.2 0.1 . 1 . . . . 155 VAL CB . 17998 1 873 . 1 1 155 155 VAL CG1 C 13 23.7 0.1 . 2 . . . . 155 VAL CG1 . 17998 1 874 . 1 1 155 155 VAL CG2 C 13 21.8 0.1 . 2 . . . . 155 VAL CG2 . 17998 1 875 . 1 1 155 155 VAL N N 15 125.9 0.1 . 1 . . . . 155 VAL N . 17998 1 876 . 1 1 156 156 ILE H H 1 9.20 0.01 . 1 . . . . 156 ILE H . 17998 1 877 . 1 1 156 156 ILE C C 13 177.1 0.1 . 1 . . . . 156 ILE C . 17998 1 878 . 1 1 156 156 ILE CA C 13 62.7 0.1 . 1 . . . . 156 ILE CA . 17998 1 879 . 1 1 156 156 ILE CB C 13 38.4 0.1 . 1 . . . . 156 ILE CB . 17998 1 880 . 1 1 156 156 ILE CG1 C 13 28.4 0.1 . 1 . . . . 156 ILE CG1 . 17998 1 881 . 1 1 156 156 ILE CG2 C 13 17.6 0.1 . 1 . . . . 156 ILE CG2 . 17998 1 882 . 1 1 156 156 ILE CD1 C 13 13.2 0.1 . 1 . . . . 156 ILE CD1 . 17998 1 883 . 1 1 156 156 ILE N N 15 131.8 0.1 . 1 . . . . 156 ILE N . 17998 1 884 . 1 1 157 157 GLY H H 1 7.70 0.01 . 1 . . . . 157 GLY H . 17998 1 885 . 1 1 157 157 GLY C C 13 170.3 0.1 . 1 . . . . 157 GLY C . 17998 1 886 . 1 1 157 157 GLY CA C 13 44.7 0.1 . 1 . . . . 157 GLY CA . 17998 1 887 . 1 1 157 157 GLY N N 15 105.0 0.1 . 1 . . . . 157 GLY N . 17998 1 888 . 1 1 158 158 PHE H H 1 8.17 0.01 . 1 . . . . 158 PHE H . 17998 1 889 . 1 1 158 158 PHE C C 13 174.1 0.1 . 1 . . . . 158 PHE C . 17998 1 890 . 1 1 158 158 PHE CA C 13 55.9 0.1 . 1 . . . . 158 PHE CA . 17998 1 891 . 1 1 158 158 PHE CB C 13 42.6 0.1 . 1 . . . . 158 PHE CB . 17998 1 892 . 1 1 158 158 PHE N N 15 114.6 0.1 . 1 . . . . 158 PHE N . 17998 1 893 . 1 1 159 159 ASP H H 1 9.05 0.01 . 1 . . . . 159 ASP H . 17998 1 894 . 1 1 159 159 ASP C C 13 176.1 0.1 . 1 . . . . 159 ASP C . 17998 1 895 . 1 1 159 159 ASP CA C 13 53.3 0.1 . 1 . . . . 159 ASP CA . 17998 1 896 . 1 1 159 159 ASP CB C 13 43.2 0.1 . 1 . . . . 159 ASP CB . 17998 1 897 . 1 1 159 159 ASP N N 15 120.2 0.1 . 1 . . . . 159 ASP N . 17998 1 898 . 1 1 160 160 GLU H H 1 8.91 0.01 . 1 . . . . 160 GLU H . 17998 1 899 . 1 1 160 160 GLU C C 13 176.8 0.1 . 1 . . . . 160 GLU C . 17998 1 900 . 1 1 160 160 GLU CA C 13 56.2 0.1 . 1 . . . . 160 GLU CA . 17998 1 901 . 1 1 160 160 GLU CB C 13 30.9 0.1 . 1 . . . . 160 GLU CB . 17998 1 902 . 1 1 160 160 GLU CG C 13 36.7 0.1 . 1 . . . . 160 GLU CG . 17998 1 903 . 1 1 160 160 GLU N N 15 124.0 0.1 . 1 . . . . 160 GLU N . 17998 1 904 . 1 1 161 161 THR H H 1 8.48 0.01 . 1 . . . . 161 THR H . 17998 1 905 . 1 1 161 161 THR C C 13 174.9 0.1 . 1 . . . . 161 THR C . 17998 1 906 . 1 1 161 161 THR CA C 13 62.5 0.1 . 1 . . . . 161 THR CA . 17998 1 907 . 1 1 161 161 THR CB C 13 69.8 0.1 . 1 . . . . 161 THR CB . 17998 1 908 . 1 1 161 161 THR CG2 C 13 21.4 0.1 . 9 . . . . 161 THR CG2 . 17998 1 909 . 1 1 161 161 THR N N 15 115.6 0.1 . 1 . . . . 161 THR N . 17998 1 910 . 1 1 162 162 LYS H H 1 8.40 0.01 . 1 . . . . 162 LYS H . 17998 1 911 . 1 1 162 162 LYS C C 13 177.0 0.1 . 1 . . . . 162 LYS C . 17998 1 912 . 1 1 162 162 LYS CA C 13 57.0 0.1 . 1 . . . . 162 LYS CA . 17998 1 913 . 1 1 162 162 LYS CB C 13 32.9 0.1 . 1 . . . . 162 LYS CB . 17998 1 914 . 1 1 162 162 LYS CG C 13 25.1 0.1 . 1 . . . . 162 LYS CG . 17998 1 915 . 1 1 162 162 LYS CD C 13 29.2 0.1 . 1 . . . . 162 LYS CD . 17998 1 916 . 1 1 162 162 LYS CE C 13 42.2 0.1 . 1 . . . . 162 LYS CE . 17998 1 917 . 1 1 162 162 LYS N N 15 124.0 0.1 . 1 . . . . 162 LYS N . 17998 1 918 . 1 1 163 163 GLU H H 1 8.40 0.01 . 1 . . . . 163 GLU H . 17998 1 919 . 1 1 163 163 GLU C C 13 177.2 0.1 . 1 . . . . 163 GLU C . 17998 1 920 . 1 1 163 163 GLU CA C 13 57.1 0.1 . 1 . . . . 163 GLU CA . 17998 1 921 . 1 1 163 163 GLU CB C 13 29.9 0.1 . 1 . . . . 163 GLU CB . 17998 1 922 . 1 1 163 163 GLU CG C 13 36.2 0.1 . 1 . . . . 163 GLU CG . 17998 1 923 . 1 1 163 163 GLU N N 15 121.1 0.1 . 1 . . . . 163 GLU N . 17998 1 924 . 1 1 164 164 GLY H H 1 8.33 0.01 . 1 . . . . 164 GLY H . 17998 1 925 . 1 1 164 164 GLY C C 13 174.4 0.1 . 1 . . . . 164 GLY C . 17998 1 926 . 1 1 164 164 GLY CA C 13 45.5 0.1 . 1 . . . . 164 GLY CA . 17998 1 927 . 1 1 164 164 GLY N N 15 109.9 0.1 . 1 . . . . 164 GLY N . 17998 1 928 . 1 1 165 165 LYS H H 1 7.97 0.01 . 1 . . . . 165 LYS H . 17998 1 929 . 1 1 165 165 LYS C C 13 176.5 0.1 . 1 . . . . 165 LYS C . 17998 1 930 . 1 1 165 165 LYS CA C 13 56.2 0.1 . 1 . . . . 165 LYS CA . 17998 1 931 . 1 1 165 165 LYS CB C 13 33.1 0.1 . 1 . . . . 165 LYS CB . 17998 1 932 . 1 1 165 165 LYS CG C 13 24.9 0.1 . 1 . . . . 165 LYS CG . 17998 1 933 . 1 1 165 165 LYS CD C 13 29.3 0.1 . 1 . . . . 165 LYS CD . 17998 1 934 . 1 1 165 165 LYS CE C 13 42.2 0.1 . 1 . . . . 165 LYS CE . 17998 1 935 . 1 1 165 165 LYS N N 15 120.9 0.1 . 1 . . . . 165 LYS N . 17998 1 936 . 1 1 166 166 ALA H H 1 8.24 0.01 . 1 . . . . 166 ALA H . 17998 1 937 . 1 1 166 166 ALA C C 13 178.0 0.1 . 1 . . . . 166 ALA C . 17998 1 938 . 1 1 166 166 ALA CA C 13 52.6 0.1 . 1 . . . . 166 ALA CA . 17998 1 939 . 1 1 166 166 ALA CB C 13 19.1 0.1 . 1 . . . . 166 ALA CB . 17998 1 940 . 1 1 166 166 ALA N N 15 124.9 0.1 . 1 . . . . 166 ALA N . 17998 1 941 . 1 1 167 167 ARG H H 1 8.23 0.01 . 1 . . . . 167 ARG H . 17998 1 942 . 1 1 167 167 ARG C C 13 176.8 0.1 . 1 . . . . 167 ARG C . 17998 1 943 . 1 1 167 167 ARG CA C 13 56.5 0.1 . 1 . . . . 167 ARG CA . 17998 1 944 . 1 1 167 167 ARG CB C 13 30.8 0.1 . 1 . . . . 167 ARG CB . 17998 1 945 . 1 1 167 167 ARG CG C 13 27.7 0.1 . 1 . . . . 167 ARG CG . 17998 1 946 . 1 1 167 167 ARG CD C 13 43.4 0.1 . 1 . . . . 167 ARG CD . 17998 1 947 . 1 1 167 167 ARG N N 15 120.4 0.1 . 1 . . . . 167 ARG N . 17998 1 948 . 1 1 168 168 SER H H 1 8.33 0.01 . 1 . . . . 168 SER H . 17998 1 949 . 1 1 168 168 SER C C 13 174.3 0.1 . 1 . . . . 168 SER C . 17998 1 950 . 1 1 168 168 SER CA C 13 58.8 0.1 . 1 . . . . 168 SER CA . 17998 1 951 . 1 1 168 168 SER CB C 13 63.7 0.1 . 1 . . . . 168 SER CB . 17998 1 952 . 1 1 168 168 SER N N 15 116.6 0.1 . 1 . . . . 168 SER N . 17998 1 953 . 1 1 169 169 ASP H H 1 8.27 0.01 . 1 . . . . 169 ASP H . 17998 1 954 . 1 1 169 169 ASP C C 13 176.1 0.1 . 1 . . . . 169 ASP C . 17998 1 955 . 1 1 169 169 ASP CA C 13 54.2 0.1 . 1 . . . . 169 ASP CA . 17998 1 956 . 1 1 169 169 ASP CB C 13 40.9 0.1 . 1 . . . . 169 ASP CB . 17998 1 957 . 1 1 169 169 ASP N N 15 121.7 0.1 . 1 . . . . 169 ASP N . 17998 1 958 . 1 1 170 170 MET H H 1 8.07 0.01 . 1 . . . . 170 MET H . 17998 1 959 . 1 1 170 170 MET C C 13 176.4 0.1 . 1 . . . . 170 MET C . 17998 1 960 . 1 1 170 170 MET CA C 13 55.7 0.1 . 1 . . . . 170 MET CA . 17998 1 961 . 1 1 170 170 MET CB C 13 33.0 0.1 . 1 . . . . 170 MET CB . 17998 1 962 . 1 1 170 170 MET CG C 13 32.0 0.1 . 1 . . . . 170 MET CG . 17998 1 963 . 1 1 170 170 MET N N 15 120.0 0.1 . 1 . . . . 170 MET N . 17998 1 964 . 1 1 171 171 THR H H 1 8.24 0.01 . 1 . . . . 171 THR H . 17998 1 965 . 1 1 171 171 THR C C 13 174.7 0.1 . 1 . . . . 171 THR C . 17998 1 966 . 1 1 171 171 THR CA C 13 62.2 0.1 . 1 . . . . 171 THR CA . 17998 1 967 . 1 1 171 171 THR CB C 13 69.9 0.1 . 1 . . . . 171 THR CB . 17998 1 968 . 1 1 171 171 THR CG2 C 13 21.7 0.1 . 1 . . . . 171 THR CG2 . 17998 1 969 . 1 1 171 171 THR N N 15 115.8 0.1 . 1 . . . . 171 THR N . 17998 1 970 . 1 1 172 172 VAL H H 1 8.13 0.01 . 1 . . . . 172 VAL H . 17998 1 971 . 1 1 172 172 VAL C C 13 176.2 0.1 . 1 . . . . 172 VAL C . 17998 1 972 . 1 1 172 172 VAL CA C 13 62.8 0.1 . 1 . . . . 172 VAL CA . 17998 1 973 . 1 1 172 172 VAL CB C 13 32.7 0.1 . 1 . . . . 172 VAL CB . 17998 1 974 . 1 1 172 172 VAL CG1 C 13 21.4 0.1 . 2 . . . . 172 VAL CG1 . 17998 1 975 . 1 1 172 172 VAL CG2 C 13 21.1 0.1 . 2 . . . . 172 VAL CG2 . 17998 1 976 . 1 1 172 172 VAL N N 15 122.4 0.1 . 1 . . . . 172 VAL N . 17998 1 977 . 1 1 173 173 GLU H H 1 8.41 0.01 . 1 . . . . 173 GLU H . 17998 1 978 . 1 1 173 173 GLU C C 13 176.6 0.1 . 1 . . . . 173 GLU C . 17998 1 979 . 1 1 173 173 GLU CA C 13 57.0 0.1 . 1 . . . . 173 GLU CA . 17998 1 980 . 1 1 173 173 GLU CB C 13 30.1 0.1 . 1 . . . . 173 GLU CB . 17998 1 981 . 1 1 173 173 GLU CG C 13 36.4 0.1 . 1 . . . . 173 GLU CG . 17998 1 982 . 1 1 173 173 GLU N N 15 124.0 0.1 . 1 . . . . 173 GLU N . 17998 1 983 . 1 1 174 174 GLU H H 1 8.28 0.01 . 1 . . . . 174 GLU H . 17998 1 984 . 1 1 174 174 GLU C C 13 176.1 0.1 . 1 . . . . 174 GLU C . 17998 1 985 . 1 1 174 174 GLU CA C 13 56.7 0.1 . 1 . . . . 174 GLU CA . 17998 1 986 . 1 1 174 174 GLU CB C 13 30.4 0.1 . 1 . . . . 174 GLU CB . 17998 1 987 . 1 1 174 174 GLU CG C 13 36.4 0.1 . 1 . . . . 174 GLU CG . 17998 1 988 . 1 1 174 174 GLU N N 15 122.4 0.1 . 1 . . . . 174 GLU N . 17998 1 989 . 1 1 175 175 ARG H H 1 8.28 0.01 . 1 . . . . 175 ARG H . 17998 1 990 . 1 1 175 175 ARG C C 13 176.3 0.1 . 1 . . . . 175 ARG C . 17998 1 991 . 1 1 175 175 ARG CA C 13 56.2 0.1 . 1 . . . . 175 ARG CA . 17998 1 992 . 1 1 175 175 ARG CB C 13 30.7 0.1 . 1 . . . . 175 ARG CB . 17998 1 993 . 1 1 175 175 ARG CG C 13 27.8 0.1 . 1 . . . . 175 ARG CG . 17998 1 994 . 1 1 175 175 ARG CD C 13 43.4 0.1 . 1 . . . . 175 ARG CD . 17998 1 995 . 1 1 175 175 ARG N N 15 122.1 0.1 . 1 . . . . 175 ARG N . 17998 1 996 . 1 1 176 176 ILE H H 1 8.17 0.01 . 1 . . . . 176 ILE H . 17998 1 997 . 1 1 176 176 ILE C C 13 177.0 0.1 . 1 . . . . 176 ILE C . 17998 1 998 . 1 1 176 176 ILE CA C 13 61.5 0.1 . 1 . . . . 176 ILE CA . 17998 1 999 . 1 1 176 176 ILE CB C 13 38.5 0.1 . 1 . . . . 176 ILE CB . 17998 1 1000 . 1 1 176 176 ILE CG1 C 13 27.0 0.1 . 1 . . . . 176 ILE CG1 . 17998 1 1001 . 1 1 176 176 ILE CG2 C 13 17.5 0.1 . 1 . . . . 176 ILE CG2 . 17998 1 1002 . 1 1 176 176 ILE CD1 C 13 12.9 0.1 . 1 . . . . 176 ILE CD1 . 17998 1 1003 . 1 1 176 176 ILE N N 15 122.7 0.1 . 1 . . . . 176 ILE N . 17998 1 1004 . 1 1 177 177 GLY H H 1 8.43 0.01 . 1 . . . . 177 GLY H . 17998 1 1005 . 1 1 177 177 GLY C C 13 173.7 0.1 . 1 . . . . 177 GLY C . 17998 1 1006 . 1 1 177 177 GLY CA C 13 45.1 0.1 . 1 . . . . 177 GLY CA . 17998 1 1007 . 1 1 177 177 GLY N N 15 113.3 0.1 . 1 . . . . 177 GLY N . 17998 1 1008 . 1 1 178 178 ALA H H 1 8.03 0.01 . 1 . . . . 178 ALA H . 17998 1 1009 . 1 1 178 178 ALA C C 13 177.3 0.1 . 1 . . . . 178 ALA C . 17998 1 1010 . 1 1 178 178 ALA CA C 13 52.3 0.1 . 1 . . . . 178 ALA CA . 17998 1 1011 . 1 1 178 178 ALA CB C 13 19.5 0.1 . 1 . . . . 178 ALA CB . 17998 1 1012 . 1 1 178 178 ALA N N 15 123.8 0.1 . 1 . . . . 178 ALA N . 17998 1 1013 . 1 1 179 179 ALA H H 1 8.26 0.01 . 1 . . . . 179 ALA H . 17998 1 1014 . 1 1 179 179 ALA C C 13 176.5 0.1 . 1 . . . . 179 ALA C . 17998 1 1015 . 1 1 179 179 ALA CA C 13 52.2 0.1 . 1 . . . . 179 ALA CA . 17998 1 1016 . 1 1 179 179 ALA CB C 13 19.5 0.1 . 1 . . . . 179 ALA CB . 17998 1 1017 . 1 1 179 179 ALA N N 15 124.0 0.1 . 1 . . . . 179 ALA N . 17998 1 1018 . 1 1 180 180 ASP H H 1 7.80 0.01 . 1 . . . . 180 ASP H . 17998 1 1019 . 1 1 180 180 ASP C C 13 180.9 0.1 . 1 . . . . 180 ASP C . 17998 1 1020 . 1 1 180 180 ASP CA C 13 55.8 0.1 . 1 . . . . 180 ASP CA . 17998 1 1021 . 1 1 180 180 ASP CB C 13 42.1 0.1 . 1 . . . . 180 ASP CB . 17998 1 1022 . 1 1 180 180 ASP N N 15 125.3 0.1 . 1 . . . . 180 ASP N . 17998 1 stop_ save_