data_15278 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15278 _Entry.Title ; Leader Protease ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-06-01 _Entry.Accession_date 2007-06-01 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _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 Regina Cencic . . . 15278 2 Christina Mayer . . . 15278 3 Maria Juliano . A. . 15278 4 Luiz Juliano . . . 15278 5 Robert Konrat . . . 15278 6 Georg Kontaxis . . . 15278 7 Tim Skern . . . 15278 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'C51A Mutant' . 15278 'Deletion Mutant' . 15278 'Foot and Mouth Disease Virus' . 15278 'Leader Protease' . 15278 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15278 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 474 15278 '15N chemical shifts' 150 15278 '1H chemical shifts' 150 15278 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2008-07-02 2007-06-01 update BMRB 'complete entry citation' 15278 1 . . 2007-07-06 2007-06-01 original author 'original release' 15278 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15277 Lbpro 15278 PDB 1QMY . 15278 PDB 1QOL . 15278 PDB 2JQG 'BMRB Entry Tracking System' 15278 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15278 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17897674 _Citation.Full_citation . _Citation.Title 'Investigating the substrate specificity and oligomerisation of the leader protease of foot and mouth disease virus using NMR' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 373 _Citation.Journal_issue 4 _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 1071 _Citation.Page_last 1087 _Citation.Year 2007 _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 Regina Cencic . . . 15278 1 2 Christina Mayer . . . 15278 1 3 Maria Juliano . A. . 15278 1 4 Luiz Juliano . . . 15278 1 5 Robert Konrat . . . 15278 1 6 Georg Kontaxis . . . 15278 1 7 Tim Skern . . . 15278 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15278 _Assembly.ID 1 _Assembly.Name sLbpro _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 sLbpro 1 $sLbpro A . yes native no no . . . 15278 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1QMY . . X-ray . . . 15278 1 yes PDB 1QOL . . X-ray . . . 15278 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_sLbpro _Entity.Sf_category entity _Entity.Sf_framecode sLbpro _Entity.Entry_ID 15278 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name sLbpro _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID R _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MELTLYNGEKKTFYSRPNNH DNAWLNAILQLFRYVEEPFF DWVYSSPENLTLEAIKQLED LTGLELHEGGPPALVIWNIK HLLHTGIGTASRPSEVCVVD GTDMCLADFHAGIFLKGQEH AVFACVTSNGWYAIDDEDFY PWTPDPSDVLVFVPYDQEPL NGEWKAK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq M29-K195 _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 167 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation ; C51A deletion of 6 C-terminal residues ; _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 19034.498 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 BMRB 15277 . Lbpro . . . . . 100.00 173 100.00 100.00 3.45e-120 . . . . 15278 1 2 no PDB 1QMY . "Fmdv Leader Protease (lbshort-c51a-c133s)" . . . . . 100.00 167 99.40 99.40 8.99e-119 . . . . 15278 1 3 no PDB 1QOL . "Structure Of The Fmdv Leader Protease" . . . . . 100.00 173 100.00 100.00 3.45e-120 . . . . 15278 1 4 no PDB 2JQF . "Full Length Leader Protease Of Foot And Mouth Disease Virus C51a Mutant" . . . . . 100.00 173 100.00 100.00 3.45e-120 . . . . 15278 1 5 no PDB 2JQG . "Leader Protease" . . . . . 100.00 167 100.00 100.00 7.60e-120 . . . . 15278 1 6 no PDB 4QBB . "Structure Of The Foot-and-mouth Disease Virus Leader Proteinase In Complex With Inhibitor (n~2~-[(3s)-4-({(2r)-1-[(4- Carbamimi" . . . . . 100.00 167 99.40 99.40 5.38e-119 . . . . 15278 1 7 no EMBL CAA25416 . "polyprotein precursor [Foot-and-mouth disease virus]" . . . . . 100.00 2332 98.80 99.40 3.68e-110 . . . . 15278 1 8 no EMBL CAC86575 . "polyprotein [Foot-and-mouth disease virus - type O]" . . . . . 100.00 2332 98.20 98.80 3.55e-109 . . . . 15278 1 9 no GB AAT01757 . "polyprotein [Foot-and-mouth disease virus - type O]" . . . . . 100.00 2332 98.80 99.40 3.57e-110 . . . . 15278 1 10 no GB AAT01758 . "polyprotein [Foot-and-mouth disease virus - type O]" . . . . . 100.00 2332 98.80 99.40 4.05e-110 . . . . 15278 1 11 no GB AAT01759 . "polyprotein [Foot-and-mouth disease virus - type O]" . . . . . 100.00 2332 98.80 99.40 4.21e-110 . . . . 15278 1 12 no GB AAT01760 . "polyprotein [Foot-and-mouth disease virus - type O]" . . . . . 100.00 2332 98.80 99.40 4.34e-110 . . . . 15278 1 13 no GB AAT01761 . "polyprotein [Foot-and-mouth disease virus - type O]" . . . . . 100.00 2332 98.20 98.80 3.55e-109 . . . . 15278 1 14 no PIR GNNYF . "genome polyprotein - foot-and-mouth disease virus O (strains O1K and O1BFS) [Foot-and-mouth disease virus - type O]" . . . . . 100.00 2332 98.80 99.40 3.68e-110 . . . . 15278 1 15 no SP P03305 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Leader protease; Short=Lpro; Contains: RecName: Full=Protein VP0; Alt" . . . . . 100.00 2332 98.80 99.40 3.68e-110 . . . . 15278 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 29 MET . 15278 1 2 30 GLU . 15278 1 3 31 LEU . 15278 1 4 32 THR . 15278 1 5 33 LEU . 15278 1 6 34 TYR . 15278 1 7 35 ASN . 15278 1 8 36 GLY . 15278 1 9 37 GLU . 15278 1 10 38 LYS . 15278 1 11 39 LYS . 15278 1 12 40 THR . 15278 1 13 41 PHE . 15278 1 14 42 TYR . 15278 1 15 43 SER . 15278 1 16 44 ARG . 15278 1 17 45 PRO . 15278 1 18 46 ASN . 15278 1 19 47 ASN . 15278 1 20 48 HIS . 15278 1 21 49 ASP . 15278 1 22 50 ASN . 15278 1 23 51 ALA . 15278 1 24 52 TRP . 15278 1 25 53 LEU . 15278 1 26 54 ASN . 15278 1 27 55 ALA . 15278 1 28 56 ILE . 15278 1 29 57 LEU . 15278 1 30 58 GLN . 15278 1 31 59 LEU . 15278 1 32 60 PHE . 15278 1 33 61 ARG . 15278 1 34 62 TYR . 15278 1 35 63 VAL . 15278 1 36 64 GLU . 15278 1 37 65 GLU . 15278 1 38 66 PRO . 15278 1 39 67 PHE . 15278 1 40 68 PHE . 15278 1 41 69 ASP . 15278 1 42 70 TRP . 15278 1 43 71 VAL . 15278 1 44 72 TYR . 15278 1 45 73 SER . 15278 1 46 74 SER . 15278 1 47 75 PRO . 15278 1 48 76 GLU . 15278 1 49 77 ASN . 15278 1 50 78 LEU . 15278 1 51 79 THR . 15278 1 52 80 LEU . 15278 1 53 81 GLU . 15278 1 54 82 ALA . 15278 1 55 83 ILE . 15278 1 56 84 LYS . 15278 1 57 85 GLN . 15278 1 58 86 LEU . 15278 1 59 87 GLU . 15278 1 60 88 ASP . 15278 1 61 89 LEU . 15278 1 62 90 THR . 15278 1 63 91 GLY . 15278 1 64 92 LEU . 15278 1 65 93 GLU . 15278 1 66 94 LEU . 15278 1 67 95 HIS . 15278 1 68 96 GLU . 15278 1 69 97 GLY . 15278 1 70 98 GLY . 15278 1 71 99 PRO . 15278 1 72 100 PRO . 15278 1 73 101 ALA . 15278 1 74 102 LEU . 15278 1 75 103 VAL . 15278 1 76 104 ILE . 15278 1 77 105 TRP . 15278 1 78 106 ASN . 15278 1 79 107 ILE . 15278 1 80 108 LYS . 15278 1 81 109 HIS . 15278 1 82 110 LEU . 15278 1 83 111 LEU . 15278 1 84 112 HIS . 15278 1 85 113 THR . 15278 1 86 114 GLY . 15278 1 87 115 ILE . 15278 1 88 116 GLY . 15278 1 89 117 THR . 15278 1 90 118 ALA . 15278 1 91 119 SER . 15278 1 92 120 ARG . 15278 1 93 121 PRO . 15278 1 94 122 SER . 15278 1 95 123 GLU . 15278 1 96 124 VAL . 15278 1 97 125 CYS . 15278 1 98 126 VAL . 15278 1 99 127 VAL . 15278 1 100 128 ASP . 15278 1 101 129 GLY . 15278 1 102 130 THR . 15278 1 103 131 ASP . 15278 1 104 132 MET . 15278 1 105 133 CYS . 15278 1 106 134 LEU . 15278 1 107 135 ALA . 15278 1 108 136 ASP . 15278 1 109 137 PHE . 15278 1 110 138 HIS . 15278 1 111 139 ALA . 15278 1 112 140 GLY . 15278 1 113 141 ILE . 15278 1 114 142 PHE . 15278 1 115 143 LEU . 15278 1 116 144 LYS . 15278 1 117 145 GLY . 15278 1 118 146 GLN . 15278 1 119 147 GLU . 15278 1 120 148 HIS . 15278 1 121 149 ALA . 15278 1 122 150 VAL . 15278 1 123 151 PHE . 15278 1 124 152 ALA . 15278 1 125 153 CYS . 15278 1 126 154 VAL . 15278 1 127 155 THR . 15278 1 128 156 SER . 15278 1 129 157 ASN . 15278 1 130 158 GLY . 15278 1 131 159 TRP . 15278 1 132 160 TYR . 15278 1 133 161 ALA . 15278 1 134 162 ILE . 15278 1 135 163 ASP . 15278 1 136 164 ASP . 15278 1 137 165 GLU . 15278 1 138 166 ASP . 15278 1 139 167 PHE . 15278 1 140 168 TYR . 15278 1 141 169 PRO . 15278 1 142 170 TRP . 15278 1 143 171 THR . 15278 1 144 172 PRO . 15278 1 145 173 ASP . 15278 1 146 174 PRO . 15278 1 147 175 SER . 15278 1 148 176 ASP . 15278 1 149 177 VAL . 15278 1 150 178 LEU . 15278 1 151 179 VAL . 15278 1 152 180 PHE . 15278 1 153 181 VAL . 15278 1 154 182 PRO . 15278 1 155 183 TYR . 15278 1 156 184 ASP . 15278 1 157 185 GLN . 15278 1 158 186 GLU . 15278 1 159 187 PRO . 15278 1 160 188 LEU . 15278 1 161 189 ASN . 15278 1 162 190 GLY . 15278 1 163 191 GLU . 15278 1 164 192 TRP . 15278 1 165 193 LYS . 15278 1 166 194 ALA . 15278 1 167 195 LYS . 15278 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 15278 1 . GLU 2 2 15278 1 . LEU 3 3 15278 1 . THR 4 4 15278 1 . LEU 5 5 15278 1 . TYR 6 6 15278 1 . ASN 7 7 15278 1 . GLY 8 8 15278 1 . GLU 9 9 15278 1 . LYS 10 10 15278 1 . LYS 11 11 15278 1 . THR 12 12 15278 1 . PHE 13 13 15278 1 . TYR 14 14 15278 1 . SER 15 15 15278 1 . ARG 16 16 15278 1 . PRO 17 17 15278 1 . ASN 18 18 15278 1 . ASN 19 19 15278 1 . HIS 20 20 15278 1 . ASP 21 21 15278 1 . ASN 22 22 15278 1 . ALA 23 23 15278 1 . TRP 24 24 15278 1 . LEU 25 25 15278 1 . ASN 26 26 15278 1 . ALA 27 27 15278 1 . ILE 28 28 15278 1 . LEU 29 29 15278 1 . GLN 30 30 15278 1 . LEU 31 31 15278 1 . PHE 32 32 15278 1 . ARG 33 33 15278 1 . TYR 34 34 15278 1 . VAL 35 35 15278 1 . GLU 36 36 15278 1 . GLU 37 37 15278 1 . PRO 38 38 15278 1 . PHE 39 39 15278 1 . PHE 40 40 15278 1 . ASP 41 41 15278 1 . TRP 42 42 15278 1 . VAL 43 43 15278 1 . TYR 44 44 15278 1 . SER 45 45 15278 1 . SER 46 46 15278 1 . PRO 47 47 15278 1 . GLU 48 48 15278 1 . ASN 49 49 15278 1 . LEU 50 50 15278 1 . THR 51 51 15278 1 . LEU 52 52 15278 1 . GLU 53 53 15278 1 . ALA 54 54 15278 1 . ILE 55 55 15278 1 . LYS 56 56 15278 1 . GLN 57 57 15278 1 . LEU 58 58 15278 1 . GLU 59 59 15278 1 . ASP 60 60 15278 1 . LEU 61 61 15278 1 . THR 62 62 15278 1 . GLY 63 63 15278 1 . LEU 64 64 15278 1 . GLU 65 65 15278 1 . LEU 66 66 15278 1 . HIS 67 67 15278 1 . GLU 68 68 15278 1 . GLY 69 69 15278 1 . GLY 70 70 15278 1 . PRO 71 71 15278 1 . PRO 72 72 15278 1 . ALA 73 73 15278 1 . LEU 74 74 15278 1 . VAL 75 75 15278 1 . ILE 76 76 15278 1 . TRP 77 77 15278 1 . ASN 78 78 15278 1 . ILE 79 79 15278 1 . LYS 80 80 15278 1 . HIS 81 81 15278 1 . LEU 82 82 15278 1 . LEU 83 83 15278 1 . HIS 84 84 15278 1 . THR 85 85 15278 1 . GLY 86 86 15278 1 . ILE 87 87 15278 1 . GLY 88 88 15278 1 . THR 89 89 15278 1 . ALA 90 90 15278 1 . SER 91 91 15278 1 . ARG 92 92 15278 1 . PRO 93 93 15278 1 . SER 94 94 15278 1 . GLU 95 95 15278 1 . VAL 96 96 15278 1 . CYS 97 97 15278 1 . VAL 98 98 15278 1 . VAL 99 99 15278 1 . ASP 100 100 15278 1 . GLY 101 101 15278 1 . THR 102 102 15278 1 . ASP 103 103 15278 1 . MET 104 104 15278 1 . CYS 105 105 15278 1 . LEU 106 106 15278 1 . ALA 107 107 15278 1 . ASP 108 108 15278 1 . PHE 109 109 15278 1 . HIS 110 110 15278 1 . ALA 111 111 15278 1 . GLY 112 112 15278 1 . ILE 113 113 15278 1 . PHE 114 114 15278 1 . LEU 115 115 15278 1 . LYS 116 116 15278 1 . GLY 117 117 15278 1 . GLN 118 118 15278 1 . GLU 119 119 15278 1 . HIS 120 120 15278 1 . ALA 121 121 15278 1 . VAL 122 122 15278 1 . PHE 123 123 15278 1 . ALA 124 124 15278 1 . CYS 125 125 15278 1 . VAL 126 126 15278 1 . THR 127 127 15278 1 . SER 128 128 15278 1 . ASN 129 129 15278 1 . GLY 130 130 15278 1 . TRP 131 131 15278 1 . TYR 132 132 15278 1 . ALA 133 133 15278 1 . ILE 134 134 15278 1 . ASP 135 135 15278 1 . ASP 136 136 15278 1 . GLU 137 137 15278 1 . ASP 138 138 15278 1 . PHE 139 139 15278 1 . TYR 140 140 15278 1 . PRO 141 141 15278 1 . TRP 142 142 15278 1 . THR 143 143 15278 1 . PRO 144 144 15278 1 . ASP 145 145 15278 1 . PRO 146 146 15278 1 . SER 147 147 15278 1 . ASP 148 148 15278 1 . VAL 149 149 15278 1 . LEU 150 150 15278 1 . VAL 151 151 15278 1 . PHE 152 152 15278 1 . VAL 153 153 15278 1 . PRO 154 154 15278 1 . TYR 155 155 15278 1 . ASP 156 156 15278 1 . GLN 157 157 15278 1 . GLU 158 158 15278 1 . PRO 159 159 15278 1 . LEU 160 160 15278 1 . ASN 161 161 15278 1 . GLY 162 162 15278 1 . GLU 163 163 15278 1 . TRP 164 164 15278 1 . LYS 165 165 15278 1 . ALA 166 166 15278 1 . LYS 167 167 15278 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 15278 _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 $sLbpro . 12110 virus . 'Foot and Mouth Disease Virus' . . . Viruses . Aphthovirus 'Foot-and-mouth disease virus' . . . . . . . . . . . . . . . . . . . . . 15278 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 15278 _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 $sLbpro . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 (DE)pLysS . . . . . . . . . . . . . . pET8c . . . . . . 15278 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15278 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 sLbpro '[U-100% 13C; U-100% 15N]' . . 1 $sLbpro . . 1 . . mM . . . . 15278 1 2 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 15278 1 3 'sodium azide' 'natural abundance' . . . . . . 10 . . mM . . . . 15278 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15278 1 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15278 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15278 1 7 D2O . . . . . . . 10 . . % . . . . 15278 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15278 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 sLbpro '[U-100% 15N]' . . 1 $sLbpro . . 1 . . mM . . . . 15278 2 2 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 15278 2 3 'sodium azide' 'natural abundance' . . . . . . 10 . . mM . . . . 15278 2 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15278 2 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15278 2 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15278 2 7 D2O . . . . . . . 10 . . % . . . . 15278 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15278 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 sLbpro '[U-100% 15N]' . . 1 $sLbpro . . 1 . . mM . . . . 15278 3 2 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 15278 3 3 'sodium azide' 'natural abundance' . . . . . . 10 . . mM . . . . 15278 3 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15278 3 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15278 3 6 'Pf1 phage' 'natural abundance' . . . . . . 17 . . mg/ml . . . . 15278 3 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15278 3 8 D2O . . . . . . . 10 . . % . . . . 15278 3 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 15278 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 . pH 15278 1 pressure 1 . atm 15278 1 temperature 298 . K 15278 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 15278 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 15278 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15278 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15278 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15278 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15278 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 15278 _Software.ID 3 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15278 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 15278 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15278 _Software.ID 4 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15278 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15278 4 'data analysis' 15278 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 15278 _Software.ID 5 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 15278 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15278 5 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 15278 _Software.ID 6 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 15278 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15278 6 'structure solution' 15278 6 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 15278 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 15278 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15278 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Direct Drive' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15278 _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 Varian INOVA . 500 . . . 15278 1 2 spectrometer_2 Varian INOVA . 800 . . . 15278 1 3 spectrometer_3 Varian 'Direct Drive' . 600 . . . 15278 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 15278 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15278 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15278 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15278 1 4 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15278 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15278 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15278 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15278 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15278 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15278 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15278 1 11 '2D 1H-15N IPAP-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15278 1 12 '2D 1H-15N IPAP-HSQC' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15278 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 15278 _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 water protons . . . . ppm 4.773 internal indirect 0.251449530 . . . . . . . . . 15278 1 H 1 water protons . . . . ppm 4.773 internal direct 1.0 . . . . . . . . . 15278 1 N 15 water protons . . . . ppm 4.773 internal indirect 0.101329118 . . . . . . . . . 15278 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 15278 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15278 1 2 '3D 1H-15N NOESY' . . . 15278 1 3 '3D HNCO' . . . 15278 1 4 '3D HN(CA)CO' . . . 15278 1 5 '3D HNCA' . . . 15278 1 6 '3D HN(CO)CA' . . . 15278 1 7 '3D HNCACB' . . . 15278 1 8 '3D CBCA(CO)NH' . . . 15278 1 9 '3D HCCH-TOCSY' . . . 15278 1 10 '3D 1H-13C NOESY' . . . 15278 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 GLU C C 13 174.600 0.100 . 1 . . . . 30 GLU C . 15278 1 2 . 1 1 2 2 GLU CA C 13 55.720 0.100 . 1 . . . . 30 GLU CA . 15278 1 3 . 1 1 2 2 GLU CB C 13 31.530 0.100 . 1 . . . . 30 GLU CB . 15278 1 4 . 1 1 3 3 LEU H H 1 8.953 0.030 . 1 . . . . 31 LEU H . 15278 1 5 . 1 1 3 3 LEU C C 13 175.300 0.100 . 1 . . . . 31 LEU C . 15278 1 6 . 1 1 3 3 LEU CA C 13 53.790 0.100 . 1 . . . . 31 LEU CA . 15278 1 7 . 1 1 3 3 LEU CB C 13 45.070 0.100 . 1 . . . . 31 LEU CB . 15278 1 8 . 1 1 3 3 LEU N N 15 126.700 0.050 . 1 . . . . 31 LEU N . 15278 1 9 . 1 1 4 4 THR H H 1 8.615 0.030 . 1 . . . . 32 THR H . 15278 1 10 . 1 1 4 4 THR C C 13 174.400 0.100 . 1 . . . . 32 THR C . 15278 1 11 . 1 1 4 4 THR CA C 13 62.650 0.100 . 1 . . . . 32 THR CA . 15278 1 12 . 1 1 4 4 THR CB C 13 68.300 0.100 . 1 . . . . 32 THR CB . 15278 1 13 . 1 1 4 4 THR N N 15 118.600 0.050 . 1 . . . . 32 THR N . 15278 1 14 . 1 1 5 5 LEU H H 1 8.986 0.030 . 1 . . . . 33 LEU H . 15278 1 15 . 1 1 5 5 LEU C C 13 180.400 0.100 . 1 . . . . 33 LEU C . 15278 1 16 . 1 1 5 5 LEU CA C 13 54.710 0.100 . 1 . . . . 33 LEU CA . 15278 1 17 . 1 1 5 5 LEU CB C 13 41.220 0.100 . 1 . . . . 33 LEU CB . 15278 1 18 . 1 1 5 5 LEU N N 15 125.300 0.050 . 1 . . . . 33 LEU N . 15278 1 19 . 1 1 6 6 TYR H H 1 9.836 0.030 . 1 . . . . 34 TYR H . 15278 1 20 . 1 1 6 6 TYR C C 13 174.400 0.100 . 1 . . . . 34 TYR C . 15278 1 21 . 1 1 6 6 TYR CA C 13 60.350 0.100 . 1 . . . . 34 TYR CA . 15278 1 22 . 1 1 6 6 TYR CB C 13 36.170 0.100 . 1 . . . . 34 TYR CB . 15278 1 23 . 1 1 6 6 TYR N N 15 120.200 0.050 . 1 . . . . 34 TYR N . 15278 1 24 . 1 1 7 7 ASN H H 1 6.565 0.030 . 1 . . . . 35 ASN H . 15278 1 25 . 1 1 7 7 ASN C C 13 176.500 0.100 . 1 . . . . 35 ASN C . 15278 1 26 . 1 1 7 7 ASN CA C 13 50.700 0.100 . 1 . . . . 35 ASN CA . 15278 1 27 . 1 1 7 7 ASN CB C 13 36.960 0.100 . 1 . . . . 35 ASN CB . 15278 1 28 . 1 1 7 7 ASN N N 15 116.700 0.050 . 1 . . . . 35 ASN N . 15278 1 29 . 1 1 8 8 GLY H H 1 7.951 0.030 . 1 . . . . 36 GLY H . 15278 1 30 . 1 1 8 8 GLY C C 13 173.900 0.100 . 1 . . . . 36 GLY C . 15278 1 31 . 1 1 8 8 GLY CA C 13 45.110 0.100 . 1 . . . . 36 GLY CA . 15278 1 32 . 1 1 8 8 GLY N N 15 107.800 0.050 . 1 . . . . 36 GLY N . 15278 1 33 . 1 1 9 9 GLU H H 1 7.130 0.030 . 1 . . . . 37 GLU H . 15278 1 34 . 1 1 9 9 GLU C C 13 174.700 0.100 . 1 . . . . 37 GLU C . 15278 1 35 . 1 1 9 9 GLU CA C 13 56.180 0.100 . 1 . . . . 37 GLU CA . 15278 1 36 . 1 1 9 9 GLU CB C 13 30.520 0.100 . 1 . . . . 37 GLU CB . 15278 1 37 . 1 1 9 9 GLU N N 15 120.100 0.050 . 1 . . . . 37 GLU N . 15278 1 38 . 1 1 10 10 LYS H H 1 8.405 0.030 . 1 . . . . 38 LYS H . 15278 1 39 . 1 1 10 10 LYS C C 13 176.900 0.100 . 1 . . . . 38 LYS C . 15278 1 40 . 1 1 10 10 LYS CA C 13 55.090 0.100 . 1 . . . . 38 LYS CA . 15278 1 41 . 1 1 10 10 LYS CB C 13 34.430 0.100 . 1 . . . . 38 LYS CB . 15278 1 42 . 1 1 10 10 LYS N N 15 121.200 0.050 . 1 . . . . 38 LYS N . 15278 1 43 . 1 1 11 11 LYS H H 1 8.848 0.030 . 1 . . . . 39 LYS H . 15278 1 44 . 1 1 11 11 LYS C C 13 174.000 0.100 . 1 . . . . 39 LYS C . 15278 1 45 . 1 1 11 11 LYS CA C 13 55.690 0.100 . 1 . . . . 39 LYS CA . 15278 1 46 . 1 1 11 11 LYS CB C 13 37.200 0.100 . 1 . . . . 39 LYS CB . 15278 1 47 . 1 1 11 11 LYS N N 15 123.600 0.050 . 1 . . . . 39 LYS N . 15278 1 48 . 1 1 12 12 THR H H 1 8.417 0.030 . 1 . . . . 40 THR H . 15278 1 49 . 1 1 12 12 THR C C 13 173.000 0.100 . 1 . . . . 40 THR C . 15278 1 50 . 1 1 12 12 THR CA C 13 61.950 0.100 . 1 . . . . 40 THR CA . 15278 1 51 . 1 1 12 12 THR CB C 13 69.880 0.100 . 1 . . . . 40 THR CB . 15278 1 52 . 1 1 12 12 THR N N 15 118.800 0.050 . 1 . . . . 40 THR N . 15278 1 53 . 1 1 13 13 PHE H H 1 8.630 0.030 . 1 . . . . 41 PHE H . 15278 1 54 . 1 1 13 13 PHE C C 13 174.000 0.100 . 1 . . . . 41 PHE C . 15278 1 55 . 1 1 13 13 PHE CA C 13 56.050 0.100 . 1 . . . . 41 PHE CA . 15278 1 56 . 1 1 13 13 PHE CB C 13 43.330 0.100 . 1 . . . . 41 PHE CB . 15278 1 57 . 1 1 13 13 PHE N N 15 124.100 0.050 . 1 . . . . 41 PHE N . 15278 1 58 . 1 1 14 14 TYR H H 1 8.898 0.030 . 1 . . . . 42 TYR H . 15278 1 59 . 1 1 14 14 TYR C C 13 175.400 0.100 . 1 . . . . 42 TYR C . 15278 1 60 . 1 1 14 14 TYR CA C 13 54.470 0.100 . 1 . . . . 42 TYR CA . 15278 1 61 . 1 1 14 14 TYR CB C 13 40.450 0.100 . 1 . . . . 42 TYR CB . 15278 1 62 . 1 1 14 14 TYR N N 15 120.400 0.050 . 1 . . . . 42 TYR N . 15278 1 63 . 1 1 15 15 SER H H 1 8.697 0.030 . 1 . . . . 43 SER H . 15278 1 64 . 1 1 15 15 SER C C 13 172.700 0.100 . 1 . . . . 43 SER C . 15278 1 65 . 1 1 15 15 SER CA C 13 59.960 0.100 . 1 . . . . 43 SER CA . 15278 1 66 . 1 1 15 15 SER CB C 13 64.560 0.100 . 1 . . . . 43 SER CB . 15278 1 67 . 1 1 15 15 SER N N 15 117.200 0.050 . 1 . . . . 43 SER N . 15278 1 68 . 1 1 16 16 ARG H H 1 7.326 0.030 . 1 . . . . 44 ARG H . 15278 1 69 . 1 1 16 16 ARG C C 13 171.800 0.100 . 1 . . . . 44 ARG C . 15278 1 70 . 1 1 16 16 ARG CA C 13 50.250 0.100 . 1 . . . . 44 ARG CA . 15278 1 71 . 1 1 16 16 ARG CB C 13 30.200 0.100 . 1 . . . . 44 ARG CB . 15278 1 72 . 1 1 16 16 ARG N N 15 119.600 0.050 . 1 . . . . 44 ARG N . 15278 1 73 . 1 1 17 17 PRO C C 13 177.800 0.100 . 1 . . . . 45 PRO C . 15278 1 74 . 1 1 17 17 PRO CA C 13 61.410 0.100 . 1 . . . . 45 PRO CA . 15278 1 75 . 1 1 17 17 PRO CB C 13 32.870 0.100 . 1 . . . . 45 PRO CB . 15278 1 76 . 1 1 18 18 ASN H H 1 9.145 0.030 . 1 . . . . 46 ASN H . 15278 1 77 . 1 1 18 18 ASN C C 13 174.200 0.100 . 1 . . . . 46 ASN C . 15278 1 78 . 1 1 18 18 ASN CA C 13 51.080 0.100 . 1 . . . . 46 ASN CA . 15278 1 79 . 1 1 18 18 ASN CB C 13 37.970 0.100 . 1 . . . . 46 ASN CB . 15278 1 80 . 1 1 18 18 ASN N N 15 119.500 0.050 . 1 . . . . 46 ASN N . 15278 1 81 . 1 1 19 19 ASN H H 1 8.485 0.030 . 1 . . . . 47 ASN H . 15278 1 82 . 1 1 19 19 ASN C C 13 175.000 0.100 . 1 . . . . 47 ASN C . 15278 1 83 . 1 1 19 19 ASN CA C 13 52.420 0.100 . 1 . . . . 47 ASN CA . 15278 1 84 . 1 1 19 19 ASN CB C 13 39.540 0.100 . 1 . . . . 47 ASN CB . 15278 1 85 . 1 1 19 19 ASN N N 15 119.500 0.050 . 1 . . . . 47 ASN N . 15278 1 86 . 1 1 20 20 HIS H H 1 8.525 0.030 . 1 . . . . 48 HIS H . 15278 1 87 . 1 1 20 20 HIS C C 13 174.200 0.100 . 1 . . . . 48 HIS C . 15278 1 88 . 1 1 20 20 HIS CA C 13 56.190 0.100 . 1 . . . . 48 HIS CA . 15278 1 89 . 1 1 20 20 HIS CB C 13 30.340 0.100 . 1 . . . . 48 HIS CB . 15278 1 90 . 1 1 20 20 HIS N N 15 120.500 0.050 . 1 . . . . 48 HIS N . 15278 1 91 . 1 1 21 21 ASP H H 1 8.648 0.030 . 1 . . . . 49 ASP H . 15278 1 92 . 1 1 21 21 ASP C C 13 176.100 0.100 . 1 . . . . 49 ASP C . 15278 1 93 . 1 1 21 21 ASP CA C 13 54.880 0.100 . 1 . . . . 49 ASP CA . 15278 1 94 . 1 1 21 21 ASP CB C 13 38.990 0.100 . 1 . . . . 49 ASP CB . 15278 1 95 . 1 1 21 21 ASP N N 15 122.400 0.050 . 1 . . . . 49 ASP N . 15278 1 96 . 1 1 22 22 ASN H H 1 8.247 0.030 . 1 . . . . 50 ASN H . 15278 1 97 . 1 1 22 22 ASN C C 13 176.000 0.100 . 1 . . . . 50 ASN C . 15278 1 98 . 1 1 22 22 ASN CA C 13 53.290 0.100 . 1 . . . . 50 ASN CA . 15278 1 99 . 1 1 22 22 ASN CB C 13 39.850 0.100 . 1 . . . . 50 ASN CB . 15278 1 100 . 1 1 22 22 ASN N N 15 108.600 0.050 . 1 . . . . 50 ASN N . 15278 1 101 . 1 1 23 23 ALA H H 1 8.726 0.030 . 1 . . . . 51 ALA H . 15278 1 102 . 1 1 23 23 ALA C C 13 178.300 0.100 . 1 . . . . 51 ALA C . 15278 1 103 . 1 1 23 23 ALA CA C 13 56.530 0.100 . 1 . . . . 51 ALA CA . 15278 1 104 . 1 1 23 23 ALA CB C 13 18.000 0.100 . 1 . . . . 51 ALA CB . 15278 1 105 . 1 1 23 23 ALA N N 15 129.500 0.050 . 1 . . . . 51 ALA N . 15278 1 106 . 1 1 24 24 TRP H H 1 7.899 0.030 . 1 . . . . 52 TRP H . 15278 1 107 . 1 1 24 24 TRP C C 13 174.500 0.100 . 1 . . . . 52 TRP C . 15278 1 108 . 1 1 24 24 TRP CA C 13 58.710 0.100 . 1 . . . . 52 TRP CA . 15278 1 109 . 1 1 24 24 TRP CB C 13 27.620 0.100 . 1 . . . . 52 TRP CB . 15278 1 110 . 1 1 24 24 TRP N N 15 113.900 0.050 . 1 . . . . 52 TRP N . 15278 1 111 . 1 1 25 25 LEU C C 13 177.400 0.100 . 1 . . . . 53 LEU C . 15278 1 112 . 1 1 25 25 LEU CA C 13 55.760 0.100 . 1 . . . . 53 LEU CA . 15278 1 113 . 1 1 25 25 LEU CB C 13 40.660 0.100 . 1 . . . . 53 LEU CB . 15278 1 114 . 1 1 26 26 ASN H H 1 7.769 0.030 . 1 . . . . 54 ASN H . 15278 1 115 . 1 1 26 26 ASN C C 13 176.700 0.100 . 1 . . . . 54 ASN C . 15278 1 116 . 1 1 26 26 ASN CA C 13 55.870 0.100 . 1 . . . . 54 ASN CA . 15278 1 117 . 1 1 26 26 ASN CB C 13 36.270 0.100 . 1 . . . . 54 ASN CB . 15278 1 118 . 1 1 26 26 ASN N N 15 121.400 0.050 . 1 . . . . 54 ASN N . 15278 1 119 . 1 1 27 27 ALA H H 1 8.394 0.030 . 1 . . . . 55 ALA H . 15278 1 120 . 1 1 27 27 ALA C C 13 179.400 0.100 . 1 . . . . 55 ALA C . 15278 1 121 . 1 1 27 27 ALA CA C 13 55.650 0.100 . 1 . . . . 55 ALA CA . 15278 1 122 . 1 1 27 27 ALA CB C 13 18.020 0.100 . 1 . . . . 55 ALA CB . 15278 1 123 . 1 1 27 27 ALA N N 15 120.200 0.050 . 1 . . . . 55 ALA N . 15278 1 124 . 1 1 28 28 ILE H H 1 6.947 0.030 . 1 . . . . 56 ILE H . 15278 1 125 . 1 1 28 28 ILE C C 13 176.400 0.100 . 1 . . . . 56 ILE C . 15278 1 126 . 1 1 28 28 ILE CA C 13 66.210 0.100 . 1 . . . . 56 ILE CA . 15278 1 127 . 1 1 28 28 ILE CB C 13 37.880 0.100 . 1 . . . . 56 ILE CB . 15278 1 128 . 1 1 28 28 ILE N N 15 117.100 0.050 . 1 . . . . 56 ILE N . 15278 1 129 . 1 1 29 29 LEU H H 1 8.604 0.030 . 1 . . . . 57 LEU H . 15278 1 130 . 1 1 29 29 LEU C C 13 180.200 0.100 . 1 . . . . 57 LEU C . 15278 1 131 . 1 1 29 29 LEU CA C 13 58.440 0.100 . 1 . . . . 57 LEU CA . 15278 1 132 . 1 1 29 29 LEU CB C 13 41.230 0.100 . 1 . . . . 57 LEU CB . 15278 1 133 . 1 1 29 29 LEU N N 15 118.800 0.050 . 1 . . . . 57 LEU N . 15278 1 134 . 1 1 30 30 GLN H H 1 8.184 0.030 . 1 . . . . 58 GLN H . 15278 1 135 . 1 1 30 30 GLN C C 13 177.800 0.100 . 1 . . . . 58 GLN C . 15278 1 136 . 1 1 30 30 GLN CA C 13 57.170 0.100 . 1 . . . . 58 GLN CA . 15278 1 137 . 1 1 30 30 GLN CB C 13 26.810 0.100 . 1 . . . . 58 GLN CB . 15278 1 138 . 1 1 30 30 GLN N N 15 116.300 0.050 . 1 . . . . 58 GLN N . 15278 1 139 . 1 1 31 31 LEU H H 1 7.700 0.030 . 1 . . . . 59 LEU H . 15278 1 140 . 1 1 31 31 LEU C C 13 178.800 0.100 . 1 . . . . 59 LEU C . 15278 1 141 . 1 1 31 31 LEU CA C 13 58.300 0.100 . 1 . . . . 59 LEU CA . 15278 1 142 . 1 1 31 31 LEU CB C 13 40.810 0.100 . 1 . . . . 59 LEU CB . 15278 1 143 . 1 1 31 31 LEU N N 15 120.300 0.050 . 1 . . . . 59 LEU N . 15278 1 144 . 1 1 32 32 PHE H H 1 8.964 0.030 . 1 . . . . 60 PHE H . 15278 1 145 . 1 1 32 32 PHE C C 13 178.100 0.100 . 1 . . . . 60 PHE C . 15278 1 146 . 1 1 32 32 PHE CA C 13 57.130 0.100 . 1 . . . . 60 PHE CA . 15278 1 147 . 1 1 32 32 PHE CB C 13 35.660 0.100 . 1 . . . . 60 PHE CB . 15278 1 148 . 1 1 32 32 PHE N N 15 117.300 0.050 . 1 . . . . 60 PHE N . 15278 1 149 . 1 1 33 33 ARG H H 1 7.919 0.030 . 1 . . . . 61 ARG H . 15278 1 150 . 1 1 33 33 ARG C C 13 178.500 0.100 . 1 . . . . 61 ARG C . 15278 1 151 . 1 1 33 33 ARG CA C 13 57.740 0.100 . 1 . . . . 61 ARG CA . 15278 1 152 . 1 1 33 33 ARG CB C 13 29.520 0.100 . 1 . . . . 61 ARG CB . 15278 1 153 . 1 1 33 33 ARG N N 15 122.700 0.050 . 1 . . . . 61 ARG N . 15278 1 154 . 1 1 34 34 TYR H H 1 8.580 0.030 . 1 . . . . 62 TYR H . 15278 1 155 . 1 1 34 34 TYR C C 13 177.000 0.100 . 1 . . . . 62 TYR C . 15278 1 156 . 1 1 34 34 TYR CA C 13 63.410 0.100 . 1 . . . . 62 TYR CA . 15278 1 157 . 1 1 34 34 TYR CB C 13 39.770 0.100 . 1 . . . . 62 TYR CB . 15278 1 158 . 1 1 34 34 TYR N N 15 121.400 0.050 . 1 . . . . 62 TYR N . 15278 1 159 . 1 1 35 35 VAL H H 1 8.119 0.030 . 1 . . . . 63 VAL H . 15278 1 160 . 1 1 35 35 VAL C C 13 174.900 0.100 . 1 . . . . 63 VAL C . 15278 1 161 . 1 1 35 35 VAL CA C 13 60.900 0.100 . 1 . . . . 63 VAL CA . 15278 1 162 . 1 1 35 35 VAL CB C 13 31.520 0.100 . 1 . . . . 63 VAL CB . 15278 1 163 . 1 1 35 35 VAL N N 15 106.600 0.050 . 1 . . . . 63 VAL N . 15278 1 164 . 1 1 36 36 GLU H H 1 7.674 0.030 . 1 . . . . 64 GLU H . 15278 1 165 . 1 1 36 36 GLU C C 13 175.300 0.100 . 1 . . . . 64 GLU C . 15278 1 166 . 1 1 36 36 GLU CA C 13 57.210 0.100 . 1 . . . . 64 GLU CA . 15278 1 167 . 1 1 36 36 GLU CB C 13 26.070 0.100 . 1 . . . . 64 GLU CB . 15278 1 168 . 1 1 36 36 GLU N N 15 118.700 0.050 . 1 . . . . 64 GLU N . 15278 1 169 . 1 1 37 37 GLU H H 1 8.675 0.030 . 1 . . . . 65 GLU H . 15278 1 170 . 1 1 37 37 GLU C C 13 176.600 0.100 . 1 . . . . 65 GLU C . 15278 1 171 . 1 1 37 37 GLU CA C 13 51.980 0.100 . 1 . . . . 65 GLU CA . 15278 1 172 . 1 1 37 37 GLU CB C 13 30.680 0.100 . 1 . . . . 65 GLU CB . 15278 1 173 . 1 1 37 37 GLU N N 15 122.600 0.050 . 1 . . . . 65 GLU N . 15278 1 174 . 1 1 38 38 PRO C C 13 178.800 0.100 . 1 . . . . 66 PRO C . 15278 1 175 . 1 1 38 38 PRO CA C 13 64.090 0.100 . 1 . . . . 66 PRO CA . 15278 1 176 . 1 1 38 38 PRO CB C 13 32.910 0.100 . 1 . . . . 66 PRO CB . 15278 1 177 . 1 1 39 39 PHE H H 1 8.739 0.030 . 1 . . . . 67 PHE H . 15278 1 178 . 1 1 39 39 PHE C C 13 175.500 0.100 . 1 . . . . 67 PHE C . 15278 1 179 . 1 1 39 39 PHE CA C 13 63.510 0.100 . 1 . . . . 67 PHE CA . 15278 1 180 . 1 1 39 39 PHE CB C 13 41.010 0.100 . 1 . . . . 67 PHE CB . 15278 1 181 . 1 1 39 39 PHE N N 15 122.200 0.050 . 1 . . . . 67 PHE N . 15278 1 182 . 1 1 40 40 PHE H H 1 8.824 0.030 . 1 . . . . 68 PHE H . 15278 1 183 . 1 1 40 40 PHE C C 13 177.500 0.100 . 1 . . . . 68 PHE C . 15278 1 184 . 1 1 40 40 PHE CA C 13 55.270 0.100 . 1 . . . . 68 PHE CA . 15278 1 185 . 1 1 40 40 PHE CB C 13 40.700 0.100 . 1 . . . . 68 PHE CB . 15278 1 186 . 1 1 40 40 PHE N N 15 111.200 0.050 . 1 . . . . 68 PHE N . 15278 1 187 . 1 1 41 41 ASP H H 1 8.543 0.030 . 1 . . . . 69 ASP H . 15278 1 188 . 1 1 41 41 ASP C C 13 177.800 0.100 . 1 . . . . 69 ASP C . 15278 1 189 . 1 1 41 41 ASP CA C 13 59.020 0.100 . 1 . . . . 69 ASP CA . 15278 1 190 . 1 1 41 41 ASP CB C 13 40.250 0.100 . 1 . . . . 69 ASP CB . 15278 1 191 . 1 1 41 41 ASP N N 15 125.100 0.050 . 1 . . . . 69 ASP N . 15278 1 192 . 1 1 42 42 TRP H H 1 7.985 0.030 . 1 . . . . 70 TRP H . 15278 1 193 . 1 1 42 42 TRP C C 13 176.400 0.100 . 1 . . . . 70 TRP C . 15278 1 194 . 1 1 42 42 TRP CA C 13 57.810 0.100 . 1 . . . . 70 TRP CA . 15278 1 195 . 1 1 42 42 TRP CB C 13 26.830 0.100 . 1 . . . . 70 TRP CB . 15278 1 196 . 1 1 42 42 TRP N N 15 116.500 0.050 . 1 . . . . 70 TRP N . 15278 1 197 . 1 1 43 43 VAL H H 1 6.349 0.030 . 1 . . . . 71 VAL H . 15278 1 198 . 1 1 43 43 VAL C C 13 178.400 0.100 . 1 . . . . 71 VAL C . 15278 1 199 . 1 1 43 43 VAL CA C 13 63.860 0.100 . 1 . . . . 71 VAL CA . 15278 1 200 . 1 1 43 43 VAL CB C 13 32.480 0.100 . 1 . . . . 71 VAL CB . 15278 1 201 . 1 1 43 43 VAL N N 15 118.900 0.050 . 1 . . . . 71 VAL N . 15278 1 202 . 1 1 44 44 TYR H H 1 8.107 0.030 . 1 . . . . 72 TYR H . 15278 1 203 . 1 1 44 44 TYR C C 13 176.800 0.100 . 1 . . . . 72 TYR C . 15278 1 204 . 1 1 44 44 TYR CA C 13 62.420 0.100 . 1 . . . . 72 TYR CA . 15278 1 205 . 1 1 44 44 TYR CB C 13 40.510 0.100 . 1 . . . . 72 TYR CB . 15278 1 206 . 1 1 44 44 TYR N N 15 121.300 0.050 . 1 . . . . 72 TYR N . 15278 1 207 . 1 1 45 45 SER H H 1 8.296 0.030 . 1 . . . . 73 SER H . 15278 1 208 . 1 1 45 45 SER C C 13 174.000 0.100 . 1 . . . . 73 SER C . 15278 1 209 . 1 1 45 45 SER CA C 13 58.580 0.100 . 1 . . . . 73 SER CA . 15278 1 210 . 1 1 45 45 SER CB C 13 63.730 0.100 . 1 . . . . 73 SER CB . 15278 1 211 . 1 1 45 45 SER N N 15 107.900 0.050 . 1 . . . . 73 SER N . 15278 1 212 . 1 1 46 46 SER H H 1 6.663 0.030 . 1 . . . . 74 SER H . 15278 1 213 . 1 1 46 46 SER C C 13 174.800 0.100 . 1 . . . . 74 SER C . 15278 1 214 . 1 1 46 46 SER CA C 13 55.710 0.100 . 1 . . . . 74 SER CA . 15278 1 215 . 1 1 46 46 SER CB C 13 64.240 0.100 . 1 . . . . 74 SER CB . 15278 1 216 . 1 1 46 46 SER N N 15 115.900 0.050 . 1 . . . . 74 SER N . 15278 1 217 . 1 1 49 49 ASN C C 13 176.300 0.100 . 1 . . . . 77 ASN C . 15278 1 218 . 1 1 49 49 ASN CA C 13 52.670 0.100 . 1 . . . . 77 ASN CA . 15278 1 219 . 1 1 49 49 ASN CB C 13 37.150 0.100 . 1 . . . . 77 ASN CB . 15278 1 220 . 1 1 50 50 LEU H H 1 8.383 0.030 . 1 . . . . 78 LEU H . 15278 1 221 . 1 1 50 50 LEU C C 13 176.200 0.100 . 1 . . . . 78 LEU C . 15278 1 222 . 1 1 50 50 LEU CA C 13 54.010 0.100 . 1 . . . . 78 LEU CA . 15278 1 223 . 1 1 50 50 LEU CB C 13 41.300 0.100 . 1 . . . . 78 LEU CB . 15278 1 224 . 1 1 50 50 LEU N N 15 127.900 0.050 . 1 . . . . 78 LEU N . 15278 1 225 . 1 1 51 51 THR H H 1 7.705 0.030 . 1 . . . . 79 THR H . 15278 1 226 . 1 1 51 51 THR C C 13 175.100 0.100 . 1 . . . . 79 THR C . 15278 1 227 . 1 1 51 51 THR CA C 13 68.680 0.100 . 1 . . . . 79 THR CA . 15278 1 228 . 1 1 51 51 THR CB C 13 68.730 0.100 . 1 . . . . 79 THR CB . 15278 1 229 . 1 1 51 51 THR N N 15 116.200 0.050 . 1 . . . . 79 THR N . 15278 1 230 . 1 1 52 52 LEU H H 1 8.466 0.030 . 1 . . . . 80 LEU H . 15278 1 231 . 1 1 52 52 LEU C C 13 179.300 0.100 . 1 . . . . 80 LEU C . 15278 1 232 . 1 1 52 52 LEU CA C 13 58.250 0.100 . 1 . . . . 80 LEU CA . 15278 1 233 . 1 1 52 52 LEU CB C 13 40.720 0.100 . 1 . . . . 80 LEU CB . 15278 1 234 . 1 1 52 52 LEU N N 15 118.400 0.050 . 1 . . . . 80 LEU N . 15278 1 235 . 1 1 53 53 GLU H H 1 8.301 0.030 . 1 . . . . 81 GLU H . 15278 1 236 . 1 1 53 53 GLU C C 13 179.700 0.100 . 1 . . . . 81 GLU C . 15278 1 237 . 1 1 53 53 GLU CA C 13 60.070 0.100 . 1 . . . . 81 GLU CA . 15278 1 238 . 1 1 53 53 GLU CB C 13 28.840 0.100 . 1 . . . . 81 GLU CB . 15278 1 239 . 1 1 53 53 GLU N N 15 120.900 0.050 . 1 . . . . 81 GLU N . 15278 1 240 . 1 1 54 54 ALA H H 1 8.028 0.030 . 1 . . . . 82 ALA H . 15278 1 241 . 1 1 54 54 ALA C C 13 179.000 0.100 . 1 . . . . 82 ALA C . 15278 1 242 . 1 1 54 54 ALA CA C 13 55.430 0.100 . 1 . . . . 82 ALA CA . 15278 1 243 . 1 1 54 54 ALA CB C 13 18.350 0.100 . 1 . . . . 82 ALA CB . 15278 1 244 . 1 1 54 54 ALA N N 15 123.300 0.050 . 1 . . . . 82 ALA N . 15278 1 245 . 1 1 55 55 ILE H H 1 8.221 0.030 . 1 . . . . 83 ILE H . 15278 1 246 . 1 1 55 55 ILE C C 13 177.500 0.100 . 1 . . . . 83 ILE C . 15278 1 247 . 1 1 55 55 ILE CA C 13 67.460 0.100 . 1 . . . . 83 ILE CA . 15278 1 248 . 1 1 55 55 ILE CB C 13 38.210 0.100 . 1 . . . . 83 ILE CB . 15278 1 249 . 1 1 55 55 ILE N N 15 118.200 0.050 . 1 . . . . 83 ILE N . 15278 1 250 . 1 1 56 56 LYS H H 1 8.198 0.030 . 1 . . . . 84 LYS H . 15278 1 251 . 1 1 56 56 LYS C C 13 179.000 0.100 . 1 . . . . 84 LYS C . 15278 1 252 . 1 1 56 56 LYS CA C 13 59.490 0.100 . 1 . . . . 84 LYS CA . 15278 1 253 . 1 1 56 56 LYS CB C 13 32.090 0.100 . 1 . . . . 84 LYS CB . 15278 1 254 . 1 1 56 56 LYS N N 15 119.400 0.050 . 1 . . . . 84 LYS N . 15278 1 255 . 1 1 57 57 GLN H H 1 8.038 0.030 . 1 . . . . 85 GLN H . 15278 1 256 . 1 1 57 57 GLN C C 13 179.000 0.100 . 1 . . . . 85 GLN C . 15278 1 257 . 1 1 57 57 GLN CA C 13 59.580 0.100 . 1 . . . . 85 GLN CA . 15278 1 258 . 1 1 57 57 GLN CB C 13 28.740 0.100 . 1 . . . . 85 GLN CB . 15278 1 259 . 1 1 57 57 GLN N N 15 118.400 0.050 . 1 . . . . 85 GLN N . 15278 1 260 . 1 1 58 58 LEU H H 1 8.618 0.030 . 1 . . . . 86 LEU H . 15278 1 261 . 1 1 58 58 LEU C C 13 181.200 0.100 . 1 . . . . 86 LEU C . 15278 1 262 . 1 1 58 58 LEU CA C 13 58.340 0.100 . 1 . . . . 86 LEU CA . 15278 1 263 . 1 1 58 58 LEU CB C 13 43.280 0.100 . 1 . . . . 86 LEU CB . 15278 1 264 . 1 1 58 58 LEU N N 15 117.600 0.050 . 1 . . . . 86 LEU N . 15278 1 265 . 1 1 59 59 GLU H H 1 9.136 0.030 . 1 . . . . 87 GLU H . 15278 1 266 . 1 1 59 59 GLU C C 13 179.600 0.100 . 1 . . . . 87 GLU C . 15278 1 267 . 1 1 59 59 GLU CA C 13 60.910 0.100 . 1 . . . . 87 GLU CA . 15278 1 268 . 1 1 59 59 GLU CB C 13 29.480 0.100 . 1 . . . . 87 GLU CB . 15278 1 269 . 1 1 59 59 GLU N N 15 125.400 0.050 . 1 . . . . 87 GLU N . 15278 1 270 . 1 1 60 60 ASP H H 1 8.221 0.030 . 1 . . . . 88 ASP H . 15278 1 271 . 1 1 60 60 ASP C C 13 179.100 0.100 . 1 . . . . 88 ASP C . 15278 1 272 . 1 1 60 60 ASP CA C 13 57.500 0.100 . 1 . . . . 88 ASP CA . 15278 1 273 . 1 1 60 60 ASP CB C 13 40.670 0.100 . 1 . . . . 88 ASP CB . 15278 1 274 . 1 1 60 60 ASP N N 15 121.300 0.050 . 1 . . . . 88 ASP N . 15278 1 275 . 1 1 61 61 LEU H H 1 8.382 0.030 . 1 . . . . 89 LEU H . 15278 1 276 . 1 1 61 61 LEU C C 13 179.200 0.100 . 1 . . . . 89 LEU C . 15278 1 277 . 1 1 61 61 LEU CA C 13 57.270 0.100 . 1 . . . . 89 LEU CA . 15278 1 278 . 1 1 61 61 LEU CB C 13 44.630 0.100 . 1 . . . . 89 LEU CB . 15278 1 279 . 1 1 61 61 LEU N N 15 116.300 0.050 . 1 . . . . 89 LEU N . 15278 1 280 . 1 1 62 62 THR H H 1 8.141 0.030 . 1 . . . . 90 THR H . 15278 1 281 . 1 1 62 62 THR C C 13 176.200 0.100 . 1 . . . . 90 THR C . 15278 1 282 . 1 1 62 62 THR CA C 13 62.860 0.100 . 1 . . . . 90 THR CA . 15278 1 283 . 1 1 62 62 THR N N 15 104.700 0.050 . 1 . . . . 90 THR N . 15278 1 284 . 1 1 63 63 GLY H H 1 8.430 0.030 . 1 . . . . 91 GLY H . 15278 1 285 . 1 1 63 63 GLY C C 13 173.700 0.100 . 1 . . . . 91 GLY C . 15278 1 286 . 1 1 63 63 GLY CA C 13 46.110 0.100 . 1 . . . . 91 GLY CA . 15278 1 287 . 1 1 63 63 GLY N N 15 112.100 0.050 . 1 . . . . 91 GLY N . 15278 1 288 . 1 1 64 64 LEU H H 1 7.758 0.030 . 1 . . . . 92 LEU H . 15278 1 289 . 1 1 64 64 LEU C C 13 176.100 0.100 . 1 . . . . 92 LEU C . 15278 1 290 . 1 1 64 64 LEU CA C 13 53.860 0.100 . 1 . . . . 92 LEU CA . 15278 1 291 . 1 1 64 64 LEU CB C 13 43.080 0.100 . 1 . . . . 92 LEU CB . 15278 1 292 . 1 1 64 64 LEU N N 15 120.100 0.050 . 1 . . . . 92 LEU N . 15278 1 293 . 1 1 65 65 GLU H H 1 8.214 0.030 . 1 . . . . 93 GLU H . 15278 1 294 . 1 1 65 65 GLU C C 13 177.600 0.100 . 1 . . . . 93 GLU C . 15278 1 295 . 1 1 65 65 GLU CA C 13 56.290 0.100 . 1 . . . . 93 GLU CA . 15278 1 296 . 1 1 65 65 GLU CB C 13 29.800 0.100 . 1 . . . . 93 GLU CB . 15278 1 297 . 1 1 65 65 GLU N N 15 121.000 0.050 . 1 . . . . 93 GLU N . 15278 1 298 . 1 1 66 66 LEU H H 1 10.130 0.030 . 1 . . . . 94 LEU H . 15278 1 299 . 1 1 66 66 LEU C C 13 177.100 0.100 . 1 . . . . 94 LEU C . 15278 1 300 . 1 1 66 66 LEU CA C 13 54.370 0.100 . 1 . . . . 94 LEU CA . 15278 1 301 . 1 1 66 66 LEU CB C 13 43.380 0.100 . 1 . . . . 94 LEU CB . 15278 1 302 . 1 1 66 66 LEU N N 15 126.700 0.050 . 1 . . . . 94 LEU N . 15278 1 303 . 1 1 67 67 HIS H H 1 8.607 0.030 . 1 . . . . 95 HIS H . 15278 1 304 . 1 1 67 67 HIS C C 13 176.200 0.100 . 1 . . . . 95 HIS C . 15278 1 305 . 1 1 67 67 HIS CA C 13 59.820 0.100 . 1 . . . . 95 HIS CA . 15278 1 306 . 1 1 67 67 HIS CB C 13 29.070 0.100 . 1 . . . . 95 HIS CB . 15278 1 307 . 1 1 67 67 HIS N N 15 118.600 0.050 . 1 . . . . 95 HIS N . 15278 1 308 . 1 1 68 68 GLU H H 1 8.494 0.030 . 1 . . . . 96 GLU H . 15278 1 309 . 1 1 68 68 GLU C C 13 175.700 0.100 . 1 . . . . 96 GLU C . 15278 1 310 . 1 1 68 68 GLU CA C 13 55.080 0.100 . 1 . . . . 96 GLU CA . 15278 1 311 . 1 1 68 68 GLU CB C 13 29.460 0.100 . 1 . . . . 96 GLU CB . 15278 1 312 . 1 1 68 68 GLU N N 15 120.800 0.050 . 1 . . . . 96 GLU N . 15278 1 313 . 1 1 69 69 GLY H H 1 7.779 0.030 . 1 . . . . 97 GLY H . 15278 1 314 . 1 1 69 69 GLY C C 13 172.000 0.100 . 1 . . . . 97 GLY C . 15278 1 315 . 1 1 69 69 GLY CA C 13 43.760 0.100 . 1 . . . . 97 GLY CA . 15278 1 316 . 1 1 69 69 GLY N N 15 110.100 0.050 . 1 . . . . 97 GLY N . 15278 1 317 . 1 1 72 72 PRO C C 13 177.400 0.100 . 1 . . . . 100 PRO C . 15278 1 318 . 1 1 72 72 PRO CA C 13 66.590 0.100 . 1 . . . . 100 PRO CA . 15278 1 319 . 1 1 72 72 PRO CB C 13 32.960 0.100 . 1 . . . . 100 PRO CB . 15278 1 320 . 1 1 73 73 ALA H H 1 8.755 0.030 . 1 . . . . 101 ALA H . 15278 1 321 . 1 1 73 73 ALA C C 13 178.900 0.100 . 1 . . . . 101 ALA C . 15278 1 322 . 1 1 73 73 ALA CA C 13 55.590 0.100 . 1 . . . . 101 ALA CA . 15278 1 323 . 1 1 73 73 ALA CB C 13 18.790 0.100 . 1 . . . . 101 ALA CB . 15278 1 324 . 1 1 73 73 ALA N N 15 116.300 0.050 . 1 . . . . 101 ALA N . 15278 1 325 . 1 1 74 74 LEU H H 1 6.720 0.030 . 1 . . . . 102 LEU H . 15278 1 326 . 1 1 74 74 LEU C C 13 179.400 0.100 . 1 . . . . 102 LEU C . 15278 1 327 . 1 1 74 74 LEU CA C 13 57.180 0.100 . 1 . . . . 102 LEU CA . 15278 1 328 . 1 1 74 74 LEU CB C 13 42.460 0.100 . 1 . . . . 102 LEU CB . 15278 1 329 . 1 1 74 74 LEU N N 15 117.700 0.050 . 1 . . . . 102 LEU N . 15278 1 330 . 1 1 75 75 VAL H H 1 7.901 0.030 . 1 . . . . 103 VAL H . 15278 1 331 . 1 1 75 75 VAL C C 13 176.900 0.100 . 1 . . . . 103 VAL C . 15278 1 332 . 1 1 75 75 VAL CA C 13 68.040 0.100 . 1 . . . . 103 VAL CA . 15278 1 333 . 1 1 75 75 VAL CB C 13 31.620 0.100 . 1 . . . . 103 VAL CB . 15278 1 334 . 1 1 75 75 VAL N N 15 118.600 0.050 . 1 . . . . 103 VAL N . 15278 1 335 . 1 1 76 76 ILE H H 1 7.724 0.030 . 1 . . . . 104 ILE H . 15278 1 336 . 1 1 76 76 ILE C C 13 177.200 0.100 . 1 . . . . 104 ILE C . 15278 1 337 . 1 1 76 76 ILE CA C 13 65.810 0.100 . 1 . . . . 104 ILE CA . 15278 1 338 . 1 1 76 76 ILE CB C 13 37.820 0.100 . 1 . . . . 104 ILE CB . 15278 1 339 . 1 1 76 76 ILE N N 15 115.200 0.050 . 1 . . . . 104 ILE N . 15278 1 340 . 1 1 77 77 TRP H H 1 8.305 0.030 . 1 . . . . 105 TRP H . 15278 1 341 . 1 1 77 77 TRP C C 13 178.300 0.100 . 1 . . . . 105 TRP C . 15278 1 342 . 1 1 77 77 TRP CA C 13 60.610 0.100 . 1 . . . . 105 TRP CA . 15278 1 343 . 1 1 77 77 TRP CB C 13 29.870 0.100 . 1 . . . . 105 TRP CB . 15278 1 344 . 1 1 77 77 TRP N N 15 117.600 0.050 . 1 . . . . 105 TRP N . 15278 1 345 . 1 1 78 78 ASN H H 1 8.140 0.030 . 1 . . . . 106 ASN H . 15278 1 346 . 1 1 78 78 ASN C C 13 176.200 0.100 . 1 . . . . 106 ASN C . 15278 1 347 . 1 1 78 78 ASN CA C 13 55.350 0.100 . 1 . . . . 106 ASN CA . 15278 1 348 . 1 1 78 78 ASN CB C 13 39.690 0.100 . 1 . . . . 106 ASN CB . 15278 1 349 . 1 1 78 78 ASN N N 15 113.900 0.050 . 1 . . . . 106 ASN N . 15278 1 350 . 1 1 79 79 ILE H H 1 7.463 0.030 . 1 . . . . 107 ILE H . 15278 1 351 . 1 1 79 79 ILE C C 13 177.600 0.100 . 1 . . . . 107 ILE C . 15278 1 352 . 1 1 79 79 ILE CA C 13 61.020 0.100 . 1 . . . . 107 ILE CA . 15278 1 353 . 1 1 79 79 ILE CB C 13 38.560 0.100 . 1 . . . . 107 ILE CB . 15278 1 354 . 1 1 79 79 ILE N N 15 109.300 0.050 . 1 . . . . 107 ILE N . 15278 1 355 . 1 1 80 80 LYS H H 1 7.115 0.030 . 1 . . . . 108 LYS H . 15278 1 356 . 1 1 80 80 LYS C C 13 176.400 0.100 . 1 . . . . 108 LYS C . 15278 1 357 . 1 1 80 80 LYS CA C 13 59.710 0.100 . 1 . . . . 108 LYS CA . 15278 1 358 . 1 1 80 80 LYS CB C 13 32.320 0.100 . 1 . . . . 108 LYS CB . 15278 1 359 . 1 1 80 80 LYS N N 15 120.600 0.050 . 1 . . . . 108 LYS N . 15278 1 360 . 1 1 81 81 HIS H H 1 8.750 0.030 . 1 . . . . 109 HIS H . 15278 1 361 . 1 1 81 81 HIS C C 13 176.000 0.100 . 1 . . . . 109 HIS C . 15278 1 362 . 1 1 81 81 HIS CA C 13 57.690 0.100 . 1 . . . . 109 HIS CA . 15278 1 363 . 1 1 81 81 HIS CB C 13 29.190 0.100 . 1 . . . . 109 HIS CB . 15278 1 364 . 1 1 81 81 HIS N N 15 118.500 0.050 . 1 . . . . 109 HIS N . 15278 1 365 . 1 1 82 82 LEU H H 1 7.585 0.030 . 1 . . . . 110 LEU H . 15278 1 366 . 1 1 82 82 LEU C C 13 176.600 0.100 . 1 . . . . 110 LEU C . 15278 1 367 . 1 1 82 82 LEU CA C 13 53.930 0.100 . 1 . . . . 110 LEU CA . 15278 1 368 . 1 1 82 82 LEU CB C 13 42.160 0.100 . 1 . . . . 110 LEU CB . 15278 1 369 . 1 1 82 82 LEU N N 15 120.700 0.050 . 1 . . . . 110 LEU N . 15278 1 370 . 1 1 83 83 LEU H H 1 6.762 0.030 . 1 . . . . 111 LEU H . 15278 1 371 . 1 1 83 83 LEU C C 13 176.100 0.100 . 1 . . . . 111 LEU C . 15278 1 372 . 1 1 83 83 LEU CA C 13 53.390 0.100 . 1 . . . . 111 LEU CA . 15278 1 373 . 1 1 83 83 LEU CB C 13 41.730 0.100 . 1 . . . . 111 LEU CB . 15278 1 374 . 1 1 83 83 LEU N N 15 116.400 0.050 . 1 . . . . 111 LEU N . 15278 1 375 . 1 1 84 84 HIS H H 1 9.886 0.030 . 1 . . . . 112 HIS H . 15278 1 376 . 1 1 84 84 HIS C C 13 174.800 0.100 . 1 . . . . 112 HIS C . 15278 1 377 . 1 1 84 84 HIS CA C 13 56.470 0.100 . 1 . . . . 112 HIS CA . 15278 1 378 . 1 1 84 84 HIS CB C 13 29.710 0.100 . 1 . . . . 112 HIS CB . 15278 1 379 . 1 1 84 84 HIS N N 15 122.200 0.050 . 1 . . . . 112 HIS N . 15278 1 380 . 1 1 85 85 THR H H 1 7.359 0.030 . 1 . . . . 113 THR H . 15278 1 381 . 1 1 85 85 THR C C 13 173.500 0.100 . 1 . . . . 113 THR C . 15278 1 382 . 1 1 85 85 THR CA C 13 62.870 0.100 . 1 . . . . 113 THR CA . 15278 1 383 . 1 1 85 85 THR CB C 13 70.980 0.100 . 1 . . . . 113 THR CB . 15278 1 384 . 1 1 85 85 THR N N 15 118.200 0.050 . 1 . . . . 113 THR N . 15278 1 385 . 1 1 86 86 GLY H H 1 9.323 0.030 . 1 . . . . 114 GLY H . 15278 1 386 . 1 1 86 86 GLY C C 13 171.800 0.100 . 1 . . . . 114 GLY C . 15278 1 387 . 1 1 86 86 GLY CA C 13 46.830 0.100 . 1 . . . . 114 GLY CA . 15278 1 388 . 1 1 86 86 GLY N N 15 116.700 0.050 . 1 . . . . 114 GLY N . 15278 1 389 . 1 1 87 87 ILE H H 1 7.773 0.030 . 1 . . . . 115 ILE H . 15278 1 390 . 1 1 87 87 ILE C C 13 176.400 0.100 . 1 . . . . 115 ILE C . 15278 1 391 . 1 1 87 87 ILE CA C 13 57.060 0.100 . 1 . . . . 115 ILE CA . 15278 1 392 . 1 1 87 87 ILE CB C 13 36.980 0.100 . 1 . . . . 115 ILE CB . 15278 1 393 . 1 1 87 87 ILE N N 15 123.800 0.050 . 1 . . . . 115 ILE N . 15278 1 394 . 1 1 88 88 GLY H H 1 9.053 0.030 . 1 . . . . 116 GLY H . 15278 1 395 . 1 1 88 88 GLY C C 13 172.900 0.100 . 1 . . . . 116 GLY C . 15278 1 396 . 1 1 88 88 GLY CA C 13 43.760 0.100 . 1 . . . . 116 GLY CA . 15278 1 397 . 1 1 88 88 GLY N N 15 116.100 0.050 . 1 . . . . 116 GLY N . 15278 1 398 . 1 1 89 89 THR H H 1 8.032 0.030 . 1 . . . . 117 THR H . 15278 1 399 . 1 1 89 89 THR C C 13 175.600 0.100 . 1 . . . . 117 THR C . 15278 1 400 . 1 1 89 89 THR CA C 13 59.200 0.100 . 1 . . . . 117 THR CA . 15278 1 401 . 1 1 89 89 THR CB C 13 72.650 0.100 . 1 . . . . 117 THR CB . 15278 1 402 . 1 1 89 89 THR N N 15 111.600 0.050 . 1 . . . . 117 THR N . 15278 1 403 . 1 1 90 90 ALA H H 1 7.483 0.030 . 1 . . . . 118 ALA H . 15278 1 404 . 1 1 90 90 ALA C C 13 178.600 0.100 . 1 . . . . 118 ALA C . 15278 1 405 . 1 1 90 90 ALA CA C 13 55.930 0.100 . 1 . . . . 118 ALA CA . 15278 1 406 . 1 1 90 90 ALA CB C 13 18.910 0.100 . 1 . . . . 118 ALA CB . 15278 1 407 . 1 1 90 90 ALA N N 15 119.500 0.050 . 1 . . . . 118 ALA N . 15278 1 408 . 1 1 91 91 SER H H 1 8.037 0.030 . 1 . . . . 119 SER H . 15278 1 409 . 1 1 91 91 SER C C 13 174.200 0.100 . 1 . . . . 119 SER C . 15278 1 410 . 1 1 91 91 SER CA C 13 60.710 0.100 . 1 . . . . 119 SER CA . 15278 1 411 . 1 1 91 91 SER CB C 13 63.250 0.100 . 1 . . . . 119 SER CB . 15278 1 412 . 1 1 91 91 SER N N 15 109.200 0.050 . 1 . . . . 119 SER N . 15278 1 413 . 1 1 92 92 ARG H H 1 7.475 0.030 . 1 . . . . 120 ARG H . 15278 1 414 . 1 1 92 92 ARG C C 13 173.500 0.100 . 1 . . . . 120 ARG C . 15278 1 415 . 1 1 92 92 ARG CA C 13 53.420 0.100 . 1 . . . . 120 ARG CA . 15278 1 416 . 1 1 92 92 ARG CB C 13 30.140 0.100 . 1 . . . . 120 ARG CB . 15278 1 417 . 1 1 92 92 ARG N N 15 123.500 0.050 . 1 . . . . 120 ARG N . 15278 1 418 . 1 1 93 93 PRO C C 13 177.600 0.100 . 1 . . . . 121 PRO C . 15278 1 419 . 1 1 93 93 PRO CA C 13 64.290 0.100 . 1 . . . . 121 PRO CA . 15278 1 420 . 1 1 93 93 PRO CB C 13 34.280 0.100 . 1 . . . . 121 PRO CB . 15278 1 421 . 1 1 94 94 SER H H 1 6.385 0.030 . 1 . . . . 122 SER H . 15278 1 422 . 1 1 94 94 SER C C 13 174.400 0.100 . 1 . . . . 122 SER C . 15278 1 423 . 1 1 94 94 SER CA C 13 55.770 0.100 . 1 . . . . 122 SER CA . 15278 1 424 . 1 1 94 94 SER CB C 13 63.770 0.100 . 1 . . . . 122 SER CB . 15278 1 425 . 1 1 94 94 SER N N 15 113.500 0.050 . 1 . . . . 122 SER N . 15278 1 426 . 1 1 95 95 GLU H H 1 8.243 0.030 . 1 . . . . 123 GLU H . 15278 1 427 . 1 1 95 95 GLU C C 13 176.200 0.100 . 1 . . . . 123 GLU C . 15278 1 428 . 1 1 95 95 GLU CA C 13 60.030 0.100 . 1 . . . . 123 GLU CA . 15278 1 429 . 1 1 95 95 GLU CB C 13 30.210 0.100 . 1 . . . . 123 GLU CB . 15278 1 430 . 1 1 95 95 GLU N N 15 122.200 0.050 . 1 . . . . 123 GLU N . 15278 1 431 . 1 1 96 96 VAL H H 1 8.026 0.030 . 1 . . . . 124 VAL H . 15278 1 432 . 1 1 96 96 VAL C C 13 174.700 0.100 . 1 . . . . 124 VAL C . 15278 1 433 . 1 1 96 96 VAL CA C 13 61.080 0.100 . 1 . . . . 124 VAL CA . 15278 1 434 . 1 1 96 96 VAL CB C 13 34.740 0.100 . 1 . . . . 124 VAL CB . 15278 1 435 . 1 1 96 96 VAL N N 15 114.600 0.050 . 1 . . . . 124 VAL N . 15278 1 436 . 1 1 97 97 CYS H H 1 8.753 0.030 . 1 . . . . 125 CYS H . 15278 1 437 . 1 1 97 97 CYS C C 13 173.200 0.100 . 1 . . . . 125 CYS C . 15278 1 438 . 1 1 97 97 CYS CA C 13 55.990 0.100 . 1 . . . . 125 CYS CA . 15278 1 439 . 1 1 97 97 CYS CB C 13 31.850 0.100 . 1 . . . . 125 CYS CB . 15278 1 440 . 1 1 97 97 CYS N N 15 120.500 0.050 . 1 . . . . 125 CYS N . 15278 1 441 . 1 1 98 98 VAL H H 1 8.686 0.030 . 1 . . . . 126 VAL H . 15278 1 442 . 1 1 98 98 VAL C C 13 175.700 0.100 . 1 . . . . 126 VAL C . 15278 1 443 . 1 1 98 98 VAL CA C 13 60.100 0.100 . 1 . . . . 126 VAL CA . 15278 1 444 . 1 1 98 98 VAL CB C 13 33.020 0.100 . 1 . . . . 126 VAL CB . 15278 1 445 . 1 1 98 98 VAL N N 15 116.100 0.050 . 1 . . . . 126 VAL N . 15278 1 446 . 1 1 99 99 VAL H H 1 7.258 0.030 . 1 . . . . 127 VAL H . 15278 1 447 . 1 1 99 99 VAL C C 13 176.200 0.100 . 1 . . . . 127 VAL C . 15278 1 448 . 1 1 99 99 VAL CA C 13 63.160 0.100 . 1 . . . . 127 VAL CA . 15278 1 449 . 1 1 99 99 VAL CB C 13 33.000 0.100 . 1 . . . . 127 VAL CB . 15278 1 450 . 1 1 99 99 VAL N N 15 115.900 0.050 . 1 . . . . 127 VAL N . 15278 1 451 . 1 1 100 100 ASP H H 1 8.305 0.030 . 1 . . . . 128 ASP H . 15278 1 452 . 1 1 100 100 ASP C C 13 176.500 0.100 . 1 . . . . 128 ASP C . 15278 1 453 . 1 1 100 100 ASP CA C 13 52.990 0.100 . 1 . . . . 128 ASP CA . 15278 1 454 . 1 1 100 100 ASP CB C 13 41.990 0.100 . 1 . . . . 128 ASP CB . 15278 1 455 . 1 1 100 100 ASP N N 15 120.100 0.050 . 1 . . . . 128 ASP N . 15278 1 456 . 1 1 101 101 GLY H H 1 7.853 0.030 . 1 . . . . 129 GLY H . 15278 1 457 . 1 1 101 101 GLY C C 13 174.800 0.100 . 1 . . . . 129 GLY C . 15278 1 458 . 1 1 101 101 GLY CA C 13 45.240 0.100 . 1 . . . . 129 GLY CA . 15278 1 459 . 1 1 101 101 GLY N N 15 108.600 0.050 . 1 . . . . 129 GLY N . 15278 1 460 . 1 1 102 102 THR H H 1 7.904 0.030 . 1 . . . . 130 THR H . 15278 1 461 . 1 1 102 102 THR C C 13 174.000 0.100 . 1 . . . . 130 THR C . 15278 1 462 . 1 1 102 102 THR CA C 13 63.340 0.100 . 1 . . . . 130 THR CA . 15278 1 463 . 1 1 102 102 THR CB C 13 69.490 0.100 . 1 . . . . 130 THR CB . 15278 1 464 . 1 1 102 102 THR N N 15 118.100 0.050 . 1 . . . . 130 THR N . 15278 1 465 . 1 1 103 103 ASP H H 1 8.537 0.030 . 1 . . . . 131 ASP H . 15278 1 466 . 1 1 103 103 ASP C C 13 175.200 0.100 . 1 . . . . 131 ASP C . 15278 1 467 . 1 1 103 103 ASP CA C 13 55.550 0.100 . 1 . . . . 131 ASP CA . 15278 1 468 . 1 1 103 103 ASP CB C 13 40.980 0.100 . 1 . . . . 131 ASP CB . 15278 1 469 . 1 1 103 103 ASP N N 15 125.700 0.050 . 1 . . . . 131 ASP N . 15278 1 470 . 1 1 104 104 MET H H 1 8.327 0.030 . 1 . . . . 132 MET H . 15278 1 471 . 1 1 104 104 MET C C 13 175.500 0.100 . 1 . . . . 132 MET C . 15278 1 472 . 1 1 104 104 MET CA C 13 52.590 0.100 . 1 . . . . 132 MET CA . 15278 1 473 . 1 1 104 104 MET CB C 13 32.920 0.100 . 1 . . . . 132 MET CB . 15278 1 474 . 1 1 104 104 MET N N 15 121.300 0.050 . 1 . . . . 132 MET N . 15278 1 475 . 1 1 105 105 CYS H H 1 8.926 0.030 . 1 . . . . 133 CYS H . 15278 1 476 . 1 1 105 105 CYS C C 13 173.600 0.100 . 1 . . . . 133 CYS C . 15278 1 477 . 1 1 105 105 CYS CA C 13 55.960 0.100 . 1 . . . . 133 CYS CA . 15278 1 478 . 1 1 105 105 CYS CB C 13 30.520 0.100 . 1 . . . . 133 CYS CB . 15278 1 479 . 1 1 105 105 CYS N N 15 117.900 0.050 . 1 . . . . 133 CYS N . 15278 1 480 . 1 1 106 106 LEU H H 1 8.484 0.030 . 1 . . . . 134 LEU H . 15278 1 481 . 1 1 106 106 LEU C C 13 176.500 0.100 . 1 . . . . 134 LEU C . 15278 1 482 . 1 1 106 106 LEU CA C 13 57.210 0.100 . 1 . . . . 134 LEU CA . 15278 1 483 . 1 1 106 106 LEU CB C 13 41.650 0.100 . 1 . . . . 134 LEU CB . 15278 1 484 . 1 1 106 106 LEU N N 15 121.200 0.050 . 1 . . . . 134 LEU N . 15278 1 485 . 1 1 107 107 ALA H H 1 7.454 0.030 . 1 . . . . 135 ALA H . 15278 1 486 . 1 1 107 107 ALA C C 13 177.600 0.100 . 1 . . . . 135 ALA C . 15278 1 487 . 1 1 107 107 ALA CA C 13 52.950 0.100 . 1 . . . . 135 ALA CA . 15278 1 488 . 1 1 107 107 ALA CB C 13 18.750 0.100 . 1 . . . . 135 ALA CB . 15278 1 489 . 1 1 107 107 ALA N N 15 115.500 0.050 . 1 . . . . 135 ALA N . 15278 1 490 . 1 1 108 108 ASP H H 1 7.495 0.030 . 1 . . . . 136 ASP H . 15278 1 491 . 1 1 108 108 ASP C C 13 176.900 0.100 . 1 . . . . 136 ASP C . 15278 1 492 . 1 1 108 108 ASP CA C 13 56.120 0.100 . 1 . . . . 136 ASP CA . 15278 1 493 . 1 1 108 108 ASP CB C 13 42.740 0.100 . 1 . . . . 136 ASP CB . 15278 1 494 . 1 1 108 108 ASP N N 15 115.200 0.050 . 1 . . . . 136 ASP N . 15278 1 495 . 1 1 109 109 PHE H H 1 7.438 0.030 . 1 . . . . 137 PHE H . 15278 1 496 . 1 1 109 109 PHE C C 13 171.700 0.100 . 1 . . . . 137 PHE C . 15278 1 497 . 1 1 109 109 PHE CA C 13 55.570 0.100 . 1 . . . . 137 PHE CA . 15278 1 498 . 1 1 109 109 PHE CB C 13 41.590 0.100 . 1 . . . . 137 PHE CB . 15278 1 499 . 1 1 109 109 PHE N N 15 115.200 0.050 . 1 . . . . 137 PHE N . 15278 1 500 . 1 1 110 110 HIS H H 1 7.021 0.030 . 1 . . . . 138 HIS H . 15278 1 501 . 1 1 110 110 HIS C C 13 174.300 0.100 . 1 . . . . 138 HIS C . 15278 1 502 . 1 1 110 110 HIS CA C 13 52.490 0.100 . 1 . . . . 138 HIS CA . 15278 1 503 . 1 1 110 110 HIS CB C 13 30.350 0.100 . 1 . . . . 138 HIS CB . 15278 1 504 . 1 1 110 110 HIS N N 15 109.800 0.050 . 1 . . . . 138 HIS N . 15278 1 505 . 1 1 111 111 ALA H H 1 7.346 0.030 . 1 . . . . 139 ALA H . 15278 1 506 . 1 1 111 111 ALA C C 13 176.600 0.100 . 1 . . . . 139 ALA C . 15278 1 507 . 1 1 111 111 ALA CA C 13 51.410 0.100 . 1 . . . . 139 ALA CA . 15278 1 508 . 1 1 111 111 ALA CB C 13 23.350 0.100 . 1 . . . . 139 ALA CB . 15278 1 509 . 1 1 111 111 ALA N N 15 117.400 0.050 . 1 . . . . 139 ALA N . 15278 1 510 . 1 1 112 112 GLY H H 1 8.751 0.030 . 1 . . . . 140 GLY H . 15278 1 511 . 1 1 112 112 GLY C C 13 170.100 0.100 . 1 . . . . 140 GLY C . 15278 1 512 . 1 1 112 112 GLY CA C 13 47.360 0.100 . 1 . . . . 140 GLY CA . 15278 1 513 . 1 1 112 112 GLY N N 15 104.600 0.050 . 1 . . . . 140 GLY N . 15278 1 514 . 1 1 113 113 ILE H H 1 8.612 0.030 . 1 . . . . 141 ILE H . 15278 1 515 . 1 1 113 113 ILE C C 13 174.400 0.100 . 1 . . . . 141 ILE C . 15278 1 516 . 1 1 113 113 ILE CA C 13 60.460 0.100 . 1 . . . . 141 ILE CA . 15278 1 517 . 1 1 113 113 ILE CB C 13 40.210 0.100 . 1 . . . . 141 ILE CB . 15278 1 518 . 1 1 113 113 ILE N N 15 117.200 0.050 . 1 . . . . 141 ILE N . 15278 1 519 . 1 1 114 114 PHE H H 1 9.143 0.030 . 1 . . . . 142 PHE H . 15278 1 520 . 1 1 114 114 PHE C C 13 174.600 0.100 . 1 . . . . 142 PHE C . 15278 1 521 . 1 1 114 114 PHE CA C 13 55.400 0.100 . 1 . . . . 142 PHE CA . 15278 1 522 . 1 1 114 114 PHE CB C 13 43.800 0.100 . 1 . . . . 142 PHE CB . 15278 1 523 . 1 1 114 114 PHE N N 15 125.100 0.050 . 1 . . . . 142 PHE N . 15278 1 524 . 1 1 115 115 LEU H H 1 8.490 0.030 . 1 . . . . 143 LEU H . 15278 1 525 . 1 1 115 115 LEU C C 13 175.500 0.100 . 1 . . . . 143 LEU C . 15278 1 526 . 1 1 115 115 LEU CA C 13 54.140 0.100 . 1 . . . . 143 LEU CA . 15278 1 527 . 1 1 115 115 LEU CB C 13 41.910 0.100 . 1 . . . . 143 LEU CB . 15278 1 528 . 1 1 115 115 LEU N N 15 121.500 0.050 . 1 . . . . 143 LEU N . 15278 1 529 . 1 1 116 116 LYS H H 1 8.537 0.030 . 1 . . . . 144 LYS H . 15278 1 530 . 1 1 116 116 LYS C C 13 177.600 0.100 . 1 . . . . 144 LYS C . 15278 1 531 . 1 1 116 116 LYS CA C 13 56.600 0.100 . 1 . . . . 144 LYS CA . 15278 1 532 . 1 1 116 116 LYS CB C 13 33.870 0.100 . 1 . . . . 144 LYS CB . 15278 1 533 . 1 1 116 116 LYS N N 15 126.700 0.050 . 1 . . . . 144 LYS N . 15278 1 534 . 1 1 117 117 GLY H H 1 9.051 0.030 . 1 . . . . 145 GLY H . 15278 1 535 . 1 1 117 117 GLY C C 13 174.100 0.100 . 1 . . . . 145 GLY C . 15278 1 536 . 1 1 117 117 GLY CA C 13 45.910 0.100 . 1 . . . . 145 GLY CA . 15278 1 537 . 1 1 117 117 GLY N N 15 116.200 0.050 . 1 . . . . 145 GLY N . 15278 1 538 . 1 1 118 118 GLN H H 1 8.438 0.030 . 1 . . . . 146 GLN H . 15278 1 539 . 1 1 118 118 GLN C C 13 175.900 0.100 . 1 . . . . 146 GLN C . 15278 1 540 . 1 1 118 118 GLN CA C 13 58.000 0.100 . 1 . . . . 146 GLN CA . 15278 1 541 . 1 1 118 118 GLN CB C 13 27.900 0.100 . 1 . . . . 146 GLN CB . 15278 1 542 . 1 1 118 118 GLN N N 15 115.500 0.050 . 1 . . . . 146 GLN N . 15278 1 543 . 1 1 119 119 GLU H H 1 8.209 0.030 . 1 . . . . 147 GLU H . 15278 1 544 . 1 1 119 119 GLU C C 13 175.000 0.100 . 1 . . . . 147 GLU C . 15278 1 545 . 1 1 119 119 GLU CA C 13 57.000 0.100 . 1 . . . . 147 GLU CA . 15278 1 546 . 1 1 119 119 GLU CB C 13 31.430 0.100 . 1 . . . . 147 GLU CB . 15278 1 547 . 1 1 119 119 GLU N N 15 116.100 0.050 . 1 . . . . 147 GLU N . 15278 1 548 . 1 1 120 120 HIS H H 1 7.817 0.030 . 1 . . . . 148 HIS H . 15278 1 549 . 1 1 120 120 HIS C C 13 172.100 0.100 . 1 . . . . 148 HIS C . 15278 1 550 . 1 1 120 120 HIS CA C 13 55.330 0.100 . 1 . . . . 148 HIS CA . 15278 1 551 . 1 1 120 120 HIS CB C 13 30.900 0.100 . 1 . . . . 148 HIS CB . 15278 1 552 . 1 1 120 120 HIS N N 15 120.700 0.050 . 1 . . . . 148 HIS N . 15278 1 553 . 1 1 121 121 ALA H H 1 8.197 0.030 . 1 . . . . 149 ALA H . 15278 1 554 . 1 1 121 121 ALA C C 13 175.400 0.100 . 1 . . . . 149 ALA C . 15278 1 555 . 1 1 121 121 ALA CA C 13 51.630 0.100 . 1 . . . . 149 ALA CA . 15278 1 556 . 1 1 121 121 ALA CB C 13 18.960 0.100 . 1 . . . . 149 ALA CB . 15278 1 557 . 1 1 121 121 ALA N N 15 129.700 0.050 . 1 . . . . 149 ALA N . 15278 1 558 . 1 1 122 122 VAL H H 1 8.891 0.030 . 1 . . . . 150 VAL H . 15278 1 559 . 1 1 122 122 VAL C C 13 174.400 0.100 . 1 . . . . 150 VAL C . 15278 1 560 . 1 1 122 122 VAL CA C 13 59.020 0.100 . 1 . . . . 150 VAL CA . 15278 1 561 . 1 1 122 122 VAL CB C 13 35.890 0.100 . 1 . . . . 150 VAL CB . 15278 1 562 . 1 1 122 122 VAL N N 15 110.600 0.050 . 1 . . . . 150 VAL N . 15278 1 563 . 1 1 123 123 PHE H H 1 7.590 0.030 . 1 . . . . 151 PHE H . 15278 1 564 . 1 1 123 123 PHE C C 13 172.900 0.100 . 1 . . . . 151 PHE C . 15278 1 565 . 1 1 123 123 PHE CA C 13 55.830 0.100 . 1 . . . . 151 PHE CA . 15278 1 566 . 1 1 123 123 PHE CB C 13 43.190 0.100 . 1 . . . . 151 PHE CB . 15278 1 567 . 1 1 123 123 PHE N N 15 121.900 0.050 . 1 . . . . 151 PHE N . 15278 1 568 . 1 1 124 124 ALA H H 1 8.447 0.030 . 1 . . . . 152 ALA H . 15278 1 569 . 1 1 124 124 ALA C C 13 174.800 0.100 . 1 . . . . 152 ALA C . 15278 1 570 . 1 1 124 124 ALA CA C 13 51.270 0.100 . 1 . . . . 152 ALA CA . 15278 1 571 . 1 1 124 124 ALA CB C 13 22.910 0.100 . 1 . . . . 152 ALA CB . 15278 1 572 . 1 1 124 124 ALA N N 15 127.200 0.050 . 1 . . . . 152 ALA N . 15278 1 573 . 1 1 125 125 CYS H H 1 9.092 0.030 . 1 . . . . 153 CYS H . 15278 1 574 . 1 1 125 125 CYS C C 13 172.200 0.100 . 1 . . . . 153 CYS C . 15278 1 575 . 1 1 125 125 CYS CA C 13 55.890 0.100 . 1 . . . . 153 CYS CA . 15278 1 576 . 1 1 125 125 CYS CB C 13 33.230 0.100 . 1 . . . . 153 CYS CB . 15278 1 577 . 1 1 125 125 CYS N N 15 112.800 0.050 . 1 . . . . 153 CYS N . 15278 1 578 . 1 1 126 126 VAL H H 1 7.878 0.030 . 1 . . . . 154 VAL H . 15278 1 579 . 1 1 126 126 VAL C C 13 175.700 0.100 . 1 . . . . 154 VAL C . 15278 1 580 . 1 1 126 126 VAL CA C 13 64.550 0.100 . 1 . . . . 154 VAL CA . 15278 1 581 . 1 1 126 126 VAL CB C 13 31.880 0.100 . 1 . . . . 154 VAL CB . 15278 1 582 . 1 1 126 126 VAL N N 15 120.900 0.050 . 1 . . . . 154 VAL N . 15278 1 583 . 1 1 127 127 THR H H 1 6.884 0.030 . 1 . . . . 155 THR H . 15278 1 584 . 1 1 127 127 THR C C 13 177.400 0.100 . 1 . . . . 155 THR C . 15278 1 585 . 1 1 127 127 THR CA C 13 59.530 0.100 . 1 . . . . 155 THR CA . 15278 1 586 . 1 1 127 127 THR CB C 13 15.330 0.100 . 1 . . . . 155 THR CB . 15278 1 587 . 1 1 127 127 THR N N 15 116.100 0.050 . 1 . . . . 155 THR N . 15278 1 588 . 1 1 128 128 SER H H 1 8.400 0.030 . 1 . . . . 156 SER H . 15278 1 589 . 1 1 128 128 SER C C 13 174.500 0.100 . 1 . . . . 156 SER C . 15278 1 590 . 1 1 128 128 SER CA C 13 60.830 0.100 . 1 . . . . 156 SER CA . 15278 1 591 . 1 1 128 128 SER CB C 13 62.730 0.100 . 1 . . . . 156 SER CB . 15278 1 592 . 1 1 128 128 SER N N 15 116.400 0.050 . 1 . . . . 156 SER N . 15278 1 593 . 1 1 129 129 ASN H H 1 8.136 0.030 . 1 . . . . 157 ASN H . 15278 1 594 . 1 1 129 129 ASN C C 13 174.300 0.100 . 1 . . . . 157 ASN C . 15278 1 595 . 1 1 129 129 ASN CA C 13 52.650 0.100 . 1 . . . . 157 ASN CA . 15278 1 596 . 1 1 129 129 ASN CB C 13 40.200 0.100 . 1 . . . . 157 ASN CB . 15278 1 597 . 1 1 129 129 ASN N N 15 118.800 0.050 . 1 . . . . 157 ASN N . 15278 1 598 . 1 1 130 130 GLY H H 1 7.658 0.030 . 1 . . . . 158 GLY H . 15278 1 599 . 1 1 130 130 GLY C C 13 175.800 0.100 . 1 . . . . 158 GLY C . 15278 1 600 . 1 1 130 130 GLY CA C 13 43.630 0.100 . 1 . . . . 158 GLY CA . 15278 1 601 . 1 1 130 130 GLY N N 15 107.900 0.050 . 1 . . . . 158 GLY N . 15278 1 602 . 1 1 131 131 TRP H H 1 8.917 0.030 . 1 . . . . 159 TRP H . 15278 1 603 . 1 1 131 131 TRP C C 13 177.200 0.100 . 1 . . . . 159 TRP C . 15278 1 604 . 1 1 131 131 TRP CA C 13 60.880 0.100 . 1 . . . . 159 TRP CA . 15278 1 605 . 1 1 131 131 TRP CB C 13 29.720 0.100 . 1 . . . . 159 TRP CB . 15278 1 606 . 1 1 131 131 TRP N N 15 123.800 0.050 . 1 . . . . 159 TRP N . 15278 1 607 . 1 1 132 132 TYR H H 1 9.544 0.030 . 1 . . . . 160 TYR H . 15278 1 608 . 1 1 132 132 TYR C C 13 174.000 0.100 . 1 . . . . 160 TYR C . 15278 1 609 . 1 1 132 132 TYR CA C 13 57.570 0.100 . 1 . . . . 160 TYR CA . 15278 1 610 . 1 1 132 132 TYR CB C 13 44.210 0.100 . 1 . . . . 160 TYR CB . 15278 1 611 . 1 1 132 132 TYR N N 15 127.600 0.050 . 1 . . . . 160 TYR N . 15278 1 612 . 1 1 133 133 ALA H H 1 9.034 0.030 . 1 . . . . 161 ALA H . 15278 1 613 . 1 1 133 133 ALA C C 13 176.300 0.100 . 1 . . . . 161 ALA C . 15278 1 614 . 1 1 133 133 ALA CA C 13 50.340 0.100 . 1 . . . . 161 ALA CA . 15278 1 615 . 1 1 133 133 ALA CB C 13 21.060 0.100 . 1 . . . . 161 ALA CB . 15278 1 616 . 1 1 133 133 ALA N N 15 120.700 0.050 . 1 . . . . 161 ALA N . 15278 1 617 . 1 1 134 134 ILE H H 1 8.908 0.030 . 1 . . . . 162 ILE H . 15278 1 618 . 1 1 134 134 ILE C C 13 175.300 0.100 . 1 . . . . 162 ILE C . 15278 1 619 . 1 1 134 134 ILE CA C 13 62.500 0.100 . 1 . . . . 162 ILE CA . 15278 1 620 . 1 1 134 134 ILE CB C 13 38.150 0.100 . 1 . . . . 162 ILE CB . 15278 1 621 . 1 1 134 134 ILE N N 15 117.700 0.050 . 1 . . . . 162 ILE N . 15278 1 622 . 1 1 135 135 ASP H H 1 8.813 0.030 . 1 . . . . 163 ASP H . 15278 1 623 . 1 1 135 135 ASP C C 13 175.100 0.100 . 1 . . . . 163 ASP C . 15278 1 624 . 1 1 135 135 ASP CA C 13 51.630 0.100 . 1 . . . . 163 ASP CA . 15278 1 625 . 1 1 135 135 ASP CB C 13 42.640 0.100 . 1 . . . . 163 ASP CB . 15278 1 626 . 1 1 135 135 ASP N N 15 130.000 0.050 . 1 . . . . 163 ASP N . 15278 1 627 . 1 1 136 136 ASP H H 1 7.846 0.030 . 1 . . . . 164 ASP H . 15278 1 628 . 1 1 136 136 ASP C C 13 176.800 0.100 . 1 . . . . 164 ASP C . 15278 1 629 . 1 1 136 136 ASP CA C 13 58.570 0.100 . 1 . . . . 164 ASP CA . 15278 1 630 . 1 1 136 136 ASP CB C 13 39.340 0.100 . 1 . . . . 164 ASP CB . 15278 1 631 . 1 1 136 136 ASP N N 15 119.900 0.050 . 1 . . . . 164 ASP N . 15278 1 632 . 1 1 137 137 GLU H H 1 8.453 0.030 . 1 . . . . 165 GLU H . 15278 1 633 . 1 1 137 137 GLU C C 13 176.000 0.100 . 1 . . . . 165 GLU C . 15278 1 634 . 1 1 137 137 GLU CA C 13 57.900 0.100 . 1 . . . . 165 GLU CA . 15278 1 635 . 1 1 137 137 GLU CB C 13 30.670 0.100 . 1 . . . . 165 GLU CB . 15278 1 636 . 1 1 137 137 GLU N N 15 123.600 0.050 . 1 . . . . 165 GLU N . 15278 1 637 . 1 1 138 138 ASP H H 1 8.622 0.030 . 1 . . . . 166 ASP H . 15278 1 638 . 1 1 138 138 ASP C C 13 173.300 0.100 . 1 . . . . 166 ASP C . 15278 1 639 . 1 1 138 138 ASP CA C 13 54.370 0.100 . 1 . . . . 166 ASP CA . 15278 1 640 . 1 1 138 138 ASP CB C 13 44.600 0.100 . 1 . . . . 166 ASP CB . 15278 1 641 . 1 1 138 138 ASP N N 15 121.000 0.050 . 1 . . . . 166 ASP N . 15278 1 642 . 1 1 139 139 PHE H H 1 8.560 0.030 . 1 . . . . 167 PHE H . 15278 1 643 . 1 1 139 139 PHE C C 13 175.900 0.100 . 1 . . . . 167 PHE C . 15278 1 644 . 1 1 139 139 PHE CA C 13 55.780 0.100 . 1 . . . . 167 PHE CA . 15278 1 645 . 1 1 139 139 PHE CB C 13 42.480 0.100 . 1 . . . . 167 PHE CB . 15278 1 646 . 1 1 139 139 PHE N N 15 119.500 0.050 . 1 . . . . 167 PHE N . 15278 1 647 . 1 1 140 140 TYR H H 1 8.133 0.030 . 1 . . . . 168 TYR H . 15278 1 648 . 1 1 140 140 TYR CA C 13 54.820 0.100 . 1 . . . . 168 TYR CA . 15278 1 649 . 1 1 140 140 TYR CB C 13 36.230 0.100 . 1 . . . . 168 TYR CB . 15278 1 650 . 1 1 140 140 TYR N N 15 118.800 0.050 . 1 . . . . 168 TYR N . 15278 1 651 . 1 1 141 141 PRO C C 13 177.100 0.100 . 1 . . . . 169 PRO C . 15278 1 652 . 1 1 141 141 PRO CA C 13 62.600 0.100 . 1 . . . . 169 PRO CA . 15278 1 653 . 1 1 141 141 PRO CB C 13 31.710 0.100 . 1 . . . . 169 PRO CB . 15278 1 654 . 1 1 142 142 TRP H H 1 8.172 0.030 . 1 . . . . 170 TRP H . 15278 1 655 . 1 1 142 142 TRP C C 13 172.200 0.100 . 1 . . . . 170 TRP C . 15278 1 656 . 1 1 142 142 TRP CA C 13 59.280 0.100 . 1 . . . . 170 TRP CA . 15278 1 657 . 1 1 142 142 TRP CB C 13 31.050 0.100 . 1 . . . . 170 TRP CB . 15278 1 658 . 1 1 142 142 TRP N N 15 127.200 0.050 . 1 . . . . 170 TRP N . 15278 1 659 . 1 1 143 143 THR H H 1 7.378 0.030 . 1 . . . . 171 THR H . 15278 1 660 . 1 1 143 143 THR C C 13 170.900 0.100 . 1 . . . . 171 THR C . 15278 1 661 . 1 1 143 143 THR CA C 13 58.960 0.100 . 1 . . . . 171 THR CA . 15278 1 662 . 1 1 143 143 THR CB C 13 69.150 0.100 . 1 . . . . 171 THR CB . 15278 1 663 . 1 1 143 143 THR N N 15 122.700 0.050 . 1 . . . . 171 THR N . 15278 1 664 . 1 1 144 144 PRO C C 13 174.400 0.100 . 1 . . . . 172 PRO C . 15278 1 665 . 1 1 144 144 PRO CA C 13 60.180 0.100 . 1 . . . . 172 PRO CA . 15278 1 666 . 1 1 144 144 PRO CB C 13 32.280 0.100 . 1 . . . . 172 PRO CB . 15278 1 667 . 1 1 145 145 ASP H H 1 7.145 0.030 . 1 . . . . 173 ASP H . 15278 1 668 . 1 1 145 145 ASP C C 13 176.700 0.100 . 1 . . . . 173 ASP C . 15278 1 669 . 1 1 145 145 ASP CA C 13 50.170 0.100 . 1 . . . . 173 ASP CA . 15278 1 670 . 1 1 145 145 ASP CB C 13 42.250 0.100 . 1 . . . . 173 ASP CB . 15278 1 671 . 1 1 145 145 ASP N N 15 118.600 0.050 . 1 . . . . 173 ASP N . 15278 1 672 . 1 1 146 146 PRO C C 13 177.000 0.100 . 1 . . . . 174 PRO C . 15278 1 673 . 1 1 146 146 PRO CA C 13 64.970 0.100 . 1 . . . . 174 PRO CA . 15278 1 674 . 1 1 146 146 PRO CB C 13 31.430 0.100 . 1 . . . . 174 PRO CB . 15278 1 675 . 1 1 147 147 SER H H 1 8.718 0.030 . 1 . . . . 175 SER H . 15278 1 676 . 1 1 147 147 SER C C 13 175.300 0.100 . 1 . . . . 175 SER C . 15278 1 677 . 1 1 147 147 SER CA C 13 61.120 0.100 . 1 . . . . 175 SER CA . 15278 1 678 . 1 1 147 147 SER CB C 13 63.100 0.100 . 1 . . . . 175 SER CB . 15278 1 679 . 1 1 147 147 SER N N 15 115.400 0.050 . 1 . . . . 175 SER N . 15278 1 680 . 1 1 148 148 ASP H H 1 8.010 0.030 . 1 . . . . 176 ASP H . 15278 1 681 . 1 1 148 148 ASP C C 13 175.700 0.100 . 1 . . . . 176 ASP C . 15278 1 682 . 1 1 148 148 ASP CA C 13 54.270 0.100 . 1 . . . . 176 ASP CA . 15278 1 683 . 1 1 148 148 ASP CB C 13 42.240 0.100 . 1 . . . . 176 ASP CB . 15278 1 684 . 1 1 148 148 ASP N N 15 119.900 0.050 . 1 . . . . 176 ASP N . 15278 1 685 . 1 1 149 149 VAL H H 1 7.214 0.030 . 1 . . . . 177 VAL H . 15278 1 686 . 1 1 149 149 VAL C C 13 172.700 0.100 . 1 . . . . 177 VAL C . 15278 1 687 . 1 1 149 149 VAL CA C 13 62.120 0.100 . 1 . . . . 177 VAL CA . 15278 1 688 . 1 1 149 149 VAL CB C 13 33.050 0.100 . 1 . . . . 177 VAL CB . 15278 1 689 . 1 1 149 149 VAL N N 15 120.600 0.050 . 1 . . . . 177 VAL N . 15278 1 690 . 1 1 150 150 LEU H H 1 8.580 0.030 . 1 . . . . 178 LEU H . 15278 1 691 . 1 1 150 150 LEU C C 13 176.200 0.100 . 1 . . . . 178 LEU C . 15278 1 692 . 1 1 150 150 LEU CA C 13 55.420 0.100 . 1 . . . . 178 LEU CA . 15278 1 693 . 1 1 150 150 LEU CB C 13 45.980 0.100 . 1 . . . . 178 LEU CB . 15278 1 694 . 1 1 150 150 LEU N N 15 121.900 0.050 . 1 . . . . 178 LEU N . 15278 1 695 . 1 1 151 151 VAL H H 1 7.087 0.030 . 1 . . . . 179 VAL H . 15278 1 696 . 1 1 151 151 VAL C C 13 174.000 0.100 . 1 . . . . 179 VAL C . 15278 1 697 . 1 1 151 151 VAL CA C 13 59.470 0.100 . 1 . . . . 179 VAL CA . 15278 1 698 . 1 1 151 151 VAL CB C 13 36.780 0.100 . 1 . . . . 179 VAL CB . 15278 1 699 . 1 1 151 151 VAL N N 15 116.500 0.050 . 1 . . . . 179 VAL N . 15278 1 700 . 1 1 152 152 PHE H H 1 9.347 0.030 . 1 . . . . 180 PHE H . 15278 1 701 . 1 1 152 152 PHE C C 13 172.400 0.100 . 1 . . . . 180 PHE C . 15278 1 702 . 1 1 152 152 PHE CA C 13 55.530 0.100 . 1 . . . . 180 PHE CA . 15278 1 703 . 1 1 152 152 PHE CB C 13 41.850 0.100 . 1 . . . . 180 PHE CB . 15278 1 704 . 1 1 152 152 PHE N N 15 121.700 0.050 . 1 . . . . 180 PHE N . 15278 1 705 . 1 1 153 153 VAL H H 1 8.269 0.030 . 1 . . . . 181 VAL H . 15278 1 706 . 1 1 153 153 VAL C C 13 173.000 0.100 . 1 . . . . 181 VAL C . 15278 1 707 . 1 1 153 153 VAL CA C 13 58.750 0.100 . 1 . . . . 181 VAL CA . 15278 1 708 . 1 1 153 153 VAL CB C 13 31.940 0.100 . 1 . . . . 181 VAL CB . 15278 1 709 . 1 1 153 153 VAL N N 15 121.500 0.050 . 1 . . . . 181 VAL N . 15278 1 710 . 1 1 154 154 PRO C C 13 178.000 0.100 . 1 . . . . 182 PRO C . 15278 1 711 . 1 1 154 154 PRO CA C 13 62.290 0.100 . 1 . . . . 182 PRO CA . 15278 1 712 . 1 1 154 154 PRO CB C 13 33.500 0.100 . 1 . . . . 182 PRO CB . 15278 1 713 . 1 1 155 155 TYR H H 1 7.618 0.030 . 1 . . . . 183 TYR H . 15278 1 714 . 1 1 155 155 TYR C C 13 176.500 0.100 . 1 . . . . 183 TYR C . 15278 1 715 . 1 1 155 155 TYR CA C 13 60.940 0.100 . 1 . . . . 183 TYR CA . 15278 1 716 . 1 1 155 155 TYR CB C 13 39.150 0.100 . 1 . . . . 183 TYR CB . 15278 1 717 . 1 1 155 155 TYR N N 15 117.200 0.050 . 1 . . . . 183 TYR N . 15278 1 718 . 1 1 156 156 ASP H H 1 8.832 0.030 . 1 . . . . 184 ASP H . 15278 1 719 . 1 1 156 156 ASP C C 13 175.900 0.100 . 1 . . . . 184 ASP C . 15278 1 720 . 1 1 156 156 ASP CA C 13 54.440 0.100 . 1 . . . . 184 ASP CA . 15278 1 721 . 1 1 156 156 ASP CB C 13 41.570 0.100 . 1 . . . . 184 ASP CB . 15278 1 722 . 1 1 156 156 ASP N N 15 120.700 0.050 . 1 . . . . 184 ASP N . 15278 1 723 . 1 1 157 157 GLN H H 1 8.410 0.030 . 1 . . . . 185 GLN H . 15278 1 724 . 1 1 157 157 GLN C C 13 175.600 0.100 . 1 . . . . 185 GLN C . 15278 1 725 . 1 1 157 157 GLN CA C 13 55.300 0.100 . 1 . . . . 185 GLN CA . 15278 1 726 . 1 1 157 157 GLN CB C 13 29.890 0.100 . 1 . . . . 185 GLN CB . 15278 1 727 . 1 1 157 157 GLN N N 15 120.100 0.050 . 1 . . . . 185 GLN N . 15278 1 728 . 1 1 158 158 GLU H H 1 8.397 0.030 . 1 . . . . 186 GLU H . 15278 1 729 . 1 1 158 158 GLU C C 13 174.500 0.100 . 1 . . . . 186 GLU C . 15278 1 730 . 1 1 158 158 GLU CA C 13 54.640 0.100 . 1 . . . . 186 GLU CA . 15278 1 731 . 1 1 158 158 GLU CB C 13 29.710 0.100 . 1 . . . . 186 GLU CB . 15278 1 732 . 1 1 158 158 GLU N N 15 123.000 0.050 . 1 . . . . 186 GLU N . 15278 1 733 . 1 1 159 159 PRO C C 13 177.100 0.100 . 1 . . . . 187 PRO C . 15278 1 734 . 1 1 159 159 PRO CA C 13 63.200 0.100 . 1 . . . . 187 PRO CA . 15278 1 735 . 1 1 159 159 PRO CB C 13 32.070 0.100 . 1 . . . . 187 PRO CB . 15278 1 736 . 1 1 160 160 LEU H H 1 8.366 0.030 . 1 . . . . 188 LEU H . 15278 1 737 . 1 1 160 160 LEU C C 13 177.300 0.100 . 1 . . . . 188 LEU C . 15278 1 738 . 1 1 160 160 LEU CA C 13 55.430 0.100 . 1 . . . . 188 LEU CA . 15278 1 739 . 1 1 160 160 LEU CB C 13 42.180 0.100 . 1 . . . . 188 LEU CB . 15278 1 740 . 1 1 160 160 LEU N N 15 122.400 0.050 . 1 . . . . 188 LEU N . 15278 1 741 . 1 1 161 161 ASN H H 1 8.412 0.030 . 1 . . . . 189 ASN H . 15278 1 742 . 1 1 161 161 ASN C C 13 175.600 0.100 . 1 . . . . 189 ASN C . 15278 1 743 . 1 1 161 161 ASN CA C 13 53.290 0.100 . 1 . . . . 189 ASN CA . 15278 1 744 . 1 1 161 161 ASN CB C 13 39.010 0.100 . 1 . . . . 189 ASN CB . 15278 1 745 . 1 1 161 161 ASN N N 15 118.700 0.050 . 1 . . . . 189 ASN N . 15278 1 746 . 1 1 162 162 GLY H H 1 8.260 0.030 . 1 . . . . 190 GLY H . 15278 1 747 . 1 1 162 162 GLY C C 13 174.200 0.100 . 1 . . . . 190 GLY C . 15278 1 748 . 1 1 162 162 GLY CA C 13 45.610 0.100 . 1 . . . . 190 GLY CA . 15278 1 749 . 1 1 162 162 GLY N N 15 108.800 0.050 . 1 . . . . 190 GLY N . 15278 1 750 . 1 1 163 163 GLU H H 1 8.211 0.030 . 1 . . . . 191 GLU H . 15278 1 751 . 1 1 163 163 GLU C C 13 176.200 0.100 . 1 . . . . 191 GLU C . 15278 1 752 . 1 1 163 163 GLU CA C 13 56.650 0.100 . 1 . . . . 191 GLU CA . 15278 1 753 . 1 1 163 163 GLU CB C 13 29.950 0.100 . 1 . . . . 191 GLU CB . 15278 1 754 . 1 1 163 163 GLU N N 15 120.400 0.050 . 1 . . . . 191 GLU N . 15278 1 755 . 1 1 164 164 TRP H H 1 8.113 0.030 . 1 . . . . 192 TRP H . 15278 1 756 . 1 1 164 164 TRP C C 13 175.900 0.100 . 1 . . . . 192 TRP C . 15278 1 757 . 1 1 164 164 TRP CA C 13 57.550 0.100 . 1 . . . . 192 TRP CA . 15278 1 758 . 1 1 164 164 TRP CB C 13 29.350 0.100 . 1 . . . . 192 TRP CB . 15278 1 759 . 1 1 164 164 TRP N N 15 121.800 0.050 . 1 . . . . 192 TRP N . 15278 1 760 . 1 1 165 165 LYS H H 1 7.749 0.030 . 1 . . . . 193 LYS H . 15278 1 761 . 1 1 165 165 LYS C C 13 175.300 0.100 . 1 . . . . 193 LYS C . 15278 1 762 . 1 1 165 165 LYS CA C 13 55.810 0.100 . 1 . . . . 193 LYS CA . 15278 1 763 . 1 1 165 165 LYS CB C 13 33.470 0.100 . 1 . . . . 193 LYS CB . 15278 1 764 . 1 1 165 165 LYS N N 15 123.300 0.050 . 1 . . . . 193 LYS N . 15278 1 765 . 1 1 166 166 ALA H H 1 8.015 0.030 . 1 . . . . 194 ALA H . 15278 1 766 . 1 1 166 166 ALA C C 13 176.700 0.100 . 1 . . . . 194 ALA C . 15278 1 767 . 1 1 166 166 ALA CA C 13 52.520 0.100 . 1 . . . . 194 ALA CA . 15278 1 768 . 1 1 166 166 ALA CB C 13 19.260 0.100 . 1 . . . . 194 ALA CB . 15278 1 769 . 1 1 166 166 ALA N N 15 125.600 0.050 . 1 . . . . 194 ALA N . 15278 1 770 . 1 1 167 167 LYS H H 1 7.788 0.030 . 1 . . . . 195 LYS H . 15278 1 771 . 1 1 167 167 LYS C C 13 181.300 0.100 . 1 . . . . 195 LYS C . 15278 1 772 . 1 1 167 167 LYS CA C 13 57.650 0.100 . 1 . . . . 195 LYS CA . 15278 1 773 . 1 1 167 167 LYS CB C 13 33.800 0.100 . 1 . . . . 195 LYS CB . 15278 1 774 . 1 1 167 167 LYS N N 15 125.700 0.050 . 1 . . . . 195 LYS N . 15278 1 stop_ save_