data_16079 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16079 _Entry.Title ; Mouse prion protein fragment mPrP[A113V,A115V,A118V](90-231) at pH 7.0 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-12-22 _Entry.Accession_date 2008-12-22 _Entry.Last_release_date 2008-12-22 _Entry.Original_release_date 2008-12-22 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'triple resonance assignments HN,N,CO,CA,CB' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Fred Damberger . F. . . 16079 2 Kurt Wuthrich . . . . 16079 3 Simone Hornemann . . . . 16079 4 Christine 'von Schroetter' . . . . 16079 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 16079 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'ETH Zurich' . 16079 2 . 'Institute for Molecular Biology and Biophysics' . 16079 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'detergent micelles' . 16079 'mouse prion protein variants' . 16079 'pH-dependent conformational transition' . 16079 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16079 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 385 16079 '15N chemical shifts' 127 16079 '1H chemical shifts' 127 16079 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 . . 2009-08-27 2008-12-22 update BMRB 'complete entry citation' 16079 1 . . 2009-06-26 2008-12-22 original author 'original release' 16079 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16071 mPrP90 16079 BMRB 16075 'mPrP90 (M129V)' 16079 BMRB 16076 'mPrP90 (P102L)' 16079 BMRB 16077 'mPrP90 (P105L)' 16079 BMRB 16078 'mPrP90 (A117V)' 16079 BMRB 16080 'mPrP90 (2II)' 16079 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16079 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19546219 _Citation.Full_citation . _Citation.Title ; Prion protein-detergent micelle interactions studied by NMR in solution. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 284 _Citation.Journal_issue 34 _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 22713 _Citation.Page_last 22721 _Citation.Year 2009 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Simone Hornemann . . . . 16079 1 2 Christine 'von Schroetter' . . . . 16079 1 3 Fred Damberger . F. . . 16079 1 4 Kurt Wuthrich . . . . 16079 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16079 _Assembly.ID 1 _Assembly.Name mPrP90_3AV _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 16269.0 _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 mPrP90_3AV 1 $mPrP90_3AV A . yes native no no . . . 16079 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 mPrP90_3AV 1 CYS 90 90 SG . 1 mPrP90_3AV 1 CYS 125 125 SG . mPrP90_3AV . 179 CYS SG . mPrP90_3AV . 214 CYS SG 16079 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID 1 . 1 1 CYS 90 90 HG . 179 CYS HG 16079 1 2 . 1 1 CYS 125 125 HG . 214 CYS HG 16079 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_mPrP90_3AV _Entity.Sf_category entity _Entity.Sf_framecode mPrP90_3AV _Entity.Entry_ID 16079 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name mPrP90_3AV _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID chain1 _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GQGGGTHNQWNKPSKPKTNL KHVVGVAAVGAVVGGLGGYM LGSAMSRPMIHFGNDWEDRY YRENMYRYPNQVYYRPVDQY SNQNNFVHDCVNITIKQHTV TTTTKGENFTETDVKMMERV VEQMCVTQYQKESQAYYDGR RS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; G90 Q91 G92 G93 ... S231 ; _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 142 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'mouse prion protein fragment mPrP(90-231)' _Entity.Mutation A113V,A115V,A118V _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16269.0 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'N-terminal GLY88-SER89 remains after thrombin cleavage' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 . GB AAA39997 . . . . . . . . . . . . . . . . 16079 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID unknown 16079 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 90 GLY . 16079 1 2 91 GLN . 16079 1 3 92 GLY . 16079 1 4 93 GLY . 16079 1 5 94 GLY . 16079 1 6 95 THR . 16079 1 7 96 HIS . 16079 1 8 97 ASN . 16079 1 9 98 GLN . 16079 1 10 99 TRP . 16079 1 11 100 ASN . 16079 1 12 101 LYS . 16079 1 13 102 PRO . 16079 1 14 103 SER . 16079 1 15 104 LYS . 16079 1 16 105 PRO . 16079 1 17 106 LYS . 16079 1 18 107 THR . 16079 1 19 108 ASN . 16079 1 20 109 LEU . 16079 1 21 110 LYS . 16079 1 22 111 HIS . 16079 1 23 112 VAL . 16079 1 24 113 VAL . 16079 1 25 114 GLY . 16079 1 26 115 VAL . 16079 1 27 116 ALA . 16079 1 28 117 ALA . 16079 1 29 118 VAL . 16079 1 30 119 GLY . 16079 1 31 120 ALA . 16079 1 32 121 VAL . 16079 1 33 122 VAL . 16079 1 34 123 GLY . 16079 1 35 124 GLY . 16079 1 36 125 LEU . 16079 1 37 126 GLY . 16079 1 38 127 GLY . 16079 1 39 128 TYR . 16079 1 40 129 MET . 16079 1 41 130 LEU . 16079 1 42 131 GLY . 16079 1 43 132 SER . 16079 1 44 133 ALA . 16079 1 45 134 MET . 16079 1 46 135 SER . 16079 1 47 136 ARG . 16079 1 48 137 PRO . 16079 1 49 138 MET . 16079 1 50 139 ILE . 16079 1 51 140 HIS . 16079 1 52 141 PHE . 16079 1 53 142 GLY . 16079 1 54 143 ASN . 16079 1 55 144 ASP . 16079 1 56 145 TRP . 16079 1 57 146 GLU . 16079 1 58 147 ASP . 16079 1 59 148 ARG . 16079 1 60 149 TYR . 16079 1 61 150 TYR . 16079 1 62 151 ARG . 16079 1 63 152 GLU . 16079 1 64 153 ASN . 16079 1 65 154 MET . 16079 1 66 155 TYR . 16079 1 67 156 ARG . 16079 1 68 157 TYR . 16079 1 69 158 PRO . 16079 1 70 159 ASN . 16079 1 71 160 GLN . 16079 1 72 161 VAL . 16079 1 73 162 TYR . 16079 1 74 163 TYR . 16079 1 75 164 ARG . 16079 1 76 165 PRO . 16079 1 77 166 VAL . 16079 1 78 167 ASP . 16079 1 79 168 GLN . 16079 1 80 169 TYR . 16079 1 81 170 SER . 16079 1 82 171 ASN . 16079 1 83 172 GLN . 16079 1 84 173 ASN . 16079 1 85 174 ASN . 16079 1 86 175 PHE . 16079 1 87 176 VAL . 16079 1 88 177 HIS . 16079 1 89 178 ASP . 16079 1 90 179 CYS . 16079 1 91 180 VAL . 16079 1 92 181 ASN . 16079 1 93 182 ILE . 16079 1 94 183 THR . 16079 1 95 184 ILE . 16079 1 96 185 LYS . 16079 1 97 186 GLN . 16079 1 98 187 HIS . 16079 1 99 188 THR . 16079 1 100 189 VAL . 16079 1 101 190 THR . 16079 1 102 191 THR . 16079 1 103 192 THR . 16079 1 104 193 THR . 16079 1 105 194 LYS . 16079 1 106 195 GLY . 16079 1 107 196 GLU . 16079 1 108 197 ASN . 16079 1 109 198 PHE . 16079 1 110 199 THR . 16079 1 111 200 GLU . 16079 1 112 201 THR . 16079 1 113 202 ASP . 16079 1 114 203 VAL . 16079 1 115 204 LYS . 16079 1 116 205 MET . 16079 1 117 206 MET . 16079 1 118 207 GLU . 16079 1 119 208 ARG . 16079 1 120 209 VAL . 16079 1 121 210 VAL . 16079 1 122 211 GLU . 16079 1 123 212 GLN . 16079 1 124 213 MET . 16079 1 125 214 CYS . 16079 1 126 215 VAL . 16079 1 127 216 THR . 16079 1 128 217 GLN . 16079 1 129 218 TYR . 16079 1 130 219 GLN . 16079 1 131 220 LYS . 16079 1 132 221 GLU . 16079 1 133 222 SER . 16079 1 134 223 GLN . 16079 1 135 224 ALA . 16079 1 136 225 TYR . 16079 1 137 226 TYR . 16079 1 138 227 ASP . 16079 1 139 228 GLY . 16079 1 140 229 ARG . 16079 1 141 230 ARG . 16079 1 142 231 SER . 16079 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 . GLY 1 1 16079 1 . GLN 2 2 16079 1 . GLY 3 3 16079 1 . GLY 4 4 16079 1 . GLY 5 5 16079 1 . THR 6 6 16079 1 . HIS 7 7 16079 1 . ASN 8 8 16079 1 . GLN 9 9 16079 1 . TRP 10 10 16079 1 . ASN 11 11 16079 1 . LYS 12 12 16079 1 . PRO 13 13 16079 1 . SER 14 14 16079 1 . LYS 15 15 16079 1 . PRO 16 16 16079 1 . LYS 17 17 16079 1 . THR 18 18 16079 1 . ASN 19 19 16079 1 . LEU 20 20 16079 1 . LYS 21 21 16079 1 . HIS 22 22 16079 1 . VAL 23 23 16079 1 . VAL 24 24 16079 1 . GLY 25 25 16079 1 . VAL 26 26 16079 1 . ALA 27 27 16079 1 . ALA 28 28 16079 1 . VAL 29 29 16079 1 . GLY 30 30 16079 1 . ALA 31 31 16079 1 . VAL 32 32 16079 1 . VAL 33 33 16079 1 . GLY 34 34 16079 1 . GLY 35 35 16079 1 . LEU 36 36 16079 1 . GLY 37 37 16079 1 . GLY 38 38 16079 1 . TYR 39 39 16079 1 . MET 40 40 16079 1 . LEU 41 41 16079 1 . GLY 42 42 16079 1 . SER 43 43 16079 1 . ALA 44 44 16079 1 . MET 45 45 16079 1 . SER 46 46 16079 1 . ARG 47 47 16079 1 . PRO 48 48 16079 1 . MET 49 49 16079 1 . ILE 50 50 16079 1 . HIS 51 51 16079 1 . PHE 52 52 16079 1 . GLY 53 53 16079 1 . ASN 54 54 16079 1 . ASP 55 55 16079 1 . TRP 56 56 16079 1 . GLU 57 57 16079 1 . ASP 58 58 16079 1 . ARG 59 59 16079 1 . TYR 60 60 16079 1 . TYR 61 61 16079 1 . ARG 62 62 16079 1 . GLU 63 63 16079 1 . ASN 64 64 16079 1 . MET 65 65 16079 1 . TYR 66 66 16079 1 . ARG 67 67 16079 1 . TYR 68 68 16079 1 . PRO 69 69 16079 1 . ASN 70 70 16079 1 . GLN 71 71 16079 1 . VAL 72 72 16079 1 . TYR 73 73 16079 1 . TYR 74 74 16079 1 . ARG 75 75 16079 1 . PRO 76 76 16079 1 . VAL 77 77 16079 1 . ASP 78 78 16079 1 . GLN 79 79 16079 1 . TYR 80 80 16079 1 . SER 81 81 16079 1 . ASN 82 82 16079 1 . GLN 83 83 16079 1 . ASN 84 84 16079 1 . ASN 85 85 16079 1 . PHE 86 86 16079 1 . VAL 87 87 16079 1 . HIS 88 88 16079 1 . ASP 89 89 16079 1 . CYS 90 90 16079 1 . VAL 91 91 16079 1 . ASN 92 92 16079 1 . ILE 93 93 16079 1 . THR 94 94 16079 1 . ILE 95 95 16079 1 . LYS 96 96 16079 1 . GLN 97 97 16079 1 . HIS 98 98 16079 1 . THR 99 99 16079 1 . VAL 100 100 16079 1 . THR 101 101 16079 1 . THR 102 102 16079 1 . THR 103 103 16079 1 . THR 104 104 16079 1 . LYS 105 105 16079 1 . GLY 106 106 16079 1 . GLU 107 107 16079 1 . ASN 108 108 16079 1 . PHE 109 109 16079 1 . THR 110 110 16079 1 . GLU 111 111 16079 1 . THR 112 112 16079 1 . ASP 113 113 16079 1 . VAL 114 114 16079 1 . LYS 115 115 16079 1 . MET 116 116 16079 1 . MET 117 117 16079 1 . GLU 118 118 16079 1 . ARG 119 119 16079 1 . VAL 120 120 16079 1 . VAL 121 121 16079 1 . GLU 122 122 16079 1 . GLN 123 123 16079 1 . MET 124 124 16079 1 . CYS 125 125 16079 1 . VAL 126 126 16079 1 . THR 127 127 16079 1 . GLN 128 128 16079 1 . TYR 129 129 16079 1 . GLN 130 130 16079 1 . LYS 131 131 16079 1 . GLU 132 132 16079 1 . SER 133 133 16079 1 . GLN 134 134 16079 1 . ALA 135 135 16079 1 . TYR 136 136 16079 1 . TYR 137 137 16079 1 . ASP 138 138 16079 1 . GLY 139 139 16079 1 . ARG 140 140 16079 1 . ARG 141 141 16079 1 . SER 142 142 16079 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 16079 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $mPrP90_3AV . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 16079 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 16079 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $mPrP90_3AV . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli K12 BL21 . . . . 'pRSET A' . . . 16079 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16079 _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 mPrP90_3AV '[U-99% 13C; U-99% 15N]' . . 1 $mPrP90_3AV . . 1.2 . . mM 0.05 . . . 16079 1 2 'sodium phosphate buffer' 'natural abundance' . . . . . . 5 . . mM . . . . 16079 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16079 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.03 0.01 M 16079 1 pH 7.0 0.05 pH 16079 1 pressure 1 . atm 16079 1 temperature 293.2 0.2 K 16079 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 16079 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version 1.8 _Software.DOI . _Software.Details 'Computer Aided Resonance Assignment' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . www.nmr.ch 16079 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16079 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16079 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'TCI (3-channel) cryoprobe with Z-gradients installed' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 16079 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 'TCI (3-channel) cryoprobe with Z-gradients installed' . . 16079 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 16079 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16079 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16079 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16079 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16079 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16079 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16079 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16079 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 16079 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . 16079 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 16079 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . 16079 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 16079 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.25 _Assigned_chem_shift_list.Chem_shift_15N_err 0.25 _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 'two times the digital resolution of HSQC15N for 1H and 15N, and HNCA & HNCACB for 13C.' _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' . . . 16079 1 3 '3D HNCO' . . . 16079 1 4 '3D HNCA' . . . 16079 1 5 '3D HN(CA)CO' . . . 16079 1 6 '3D CBCA(CO)NH' . . . 16079 1 7 '3D HNCACB' . . . 16079 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CARA . . 16079 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.Ambiguity_set_ID _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 1 1 GLY H H 1 8.603 0.020 . 1 . . . . . 90 GLY H . 16079 1 2 . 1 1 1 1 GLY C C 13 174.335 0.3 . 1 . . . . . 90 GLY C . 16079 1 3 . 1 1 1 1 GLY CA C 13 45.007 0.3 . 1 . . . . . 90 GLY CA . 16079 1 4 . 1 1 1 1 GLY N N 15 111.231 0.3 . 1 . . . . . 90 GLY N . 16079 1 5 . 1 1 2 2 GLN H H 1 8.321 0.020 . 1 . . . . . 91 GLN H . 16079 1 6 . 1 1 2 2 GLN C C 13 177.064 0.3 . 1 . . . . . 91 GLN C . 16079 1 7 . 1 1 2 2 GLN CA C 13 55.430 0.3 . 1 . . . . . 91 GLN CA . 16079 1 8 . 1 1 2 2 GLN CB C 13 28.975 0.3 . 1 . . . . . 91 GLN CB . 16079 1 9 . 1 1 2 2 GLN N N 15 120.060 0.3 . 1 . . . . . 91 GLN N . 16079 1 10 . 1 1 3 3 GLY H H 1 8.532 0.020 . 1 . . . . . 92 GLY H . 16079 1 11 . 1 1 3 3 GLY C C 13 174.792 0.3 . 1 . . . . . 92 GLY C . 16079 1 12 . 1 1 3 3 GLY CA C 13 44.760 0.3 . 1 . . . . . 92 GLY CA . 16079 1 13 . 1 1 3 3 GLY N N 15 110.613 0.3 . 1 . . . . . 92 GLY N . 16079 1 14 . 1 1 4 4 GLY H H 1 8.374 0.020 . 1 . . . . . 93 GLY H . 16079 1 15 . 1 1 4 4 GLY C C 13 174.792 0.3 . 1 . . . . . 93 GLY C . 16079 1 16 . 1 1 4 4 GLY CA C 13 44.736 0.3 . 1 . . . . . 93 GLY CA . 16079 1 17 . 1 1 4 4 GLY N N 15 109.092 0.3 . 1 . . . . . 93 GLY N . 16079 1 18 . 1 1 5 5 GLY H H 1 8.383 0.020 . 1 . . . . . 94 GLY H . 16079 1 19 . 1 1 5 5 GLY C C 13 174.513 0.3 . 1 . . . . . 94 GLY C . 16079 1 20 . 1 1 5 5 GLY CA C 13 44.775 0.3 . 1 . . . . . 94 GLY CA . 16079 1 21 . 1 1 5 5 GLY N N 15 109.025 0.3 . 1 . . . . . 94 GLY N . 16079 1 22 . 1 1 6 6 THR H H 1 8.167 0.020 . 1 . . . . . 95 THR H . 16079 1 23 . 1 1 6 6 THR CA C 13 61.634 0.3 . 1 . . . . . 95 THR CA . 16079 1 24 . 1 1 6 6 THR CB C 13 69.506 0.3 . 1 . . . . . 95 THR CB . 16079 1 25 . 1 1 6 6 THR N N 15 113.592 0.3 . 1 . . . . . 95 THR N . 16079 1 26 . 1 1 8 8 ASN C C 13 175.261 0.3 . 1 . . . . . 97 ASN C . 16079 1 27 . 1 1 8 8 ASN CA C 13 52.709 0.3 . 1 . . . . . 97 ASN CA . 16079 1 28 . 1 1 8 8 ASN CB C 13 38.267 0.3 . 1 . . . . . 97 ASN CB . 16079 1 29 . 1 1 9 9 GLN H H 1 8.371 0.020 . 1 . . . . . 98 GLN H . 16079 1 30 . 1 1 9 9 GLN C C 13 175.737 0.3 . 1 . . . . . 98 GLN C . 16079 1 31 . 1 1 9 9 GLN CA C 13 55.845 0.3 . 1 . . . . . 98 GLN CA . 16079 1 32 . 1 1 9 9 GLN CB C 13 28.501 0.3 . 1 . . . . . 98 GLN CB . 16079 1 33 . 1 1 9 9 GLN N N 15 120.492 0.3 . 1 . . . . . 98 GLN N . 16079 1 34 . 1 1 10 10 TRP H H 1 8.089 0.020 . 1 . . . . . 99 TRP H . 16079 1 35 . 1 1 10 10 TRP C C 13 175.885 0.3 . 1 . . . . . 99 TRP C . 16079 1 36 . 1 1 10 10 TRP CA C 13 56.782 0.3 . 1 . . . . . 99 TRP CA . 16079 1 37 . 1 1 10 10 TRP CB C 13 28.659 0.3 . 1 . . . . . 99 TRP CB . 16079 1 38 . 1 1 10 10 TRP N N 15 121.259 0.3 . 1 . . . . . 99 TRP N . 16079 1 39 . 1 1 11 11 ASN H H 1 8.089 0.020 . 1 . . . . . 100 ASN H . 16079 1 40 . 1 1 11 11 ASN C C 13 174.361 0.3 . 1 . . . . . 100 ASN C . 16079 1 41 . 1 1 11 11 ASN CA C 13 52.411 0.3 . 1 . . . . . 100 ASN CA . 16079 1 42 . 1 1 11 11 ASN CB C 13 38.445 0.3 . 1 . . . . . 100 ASN CB . 16079 1 43 . 1 1 11 11 ASN N N 15 120.297 0.3 . 1 . . . . . 100 ASN N . 16079 1 44 . 1 1 12 12 LYS H H 1 8.026 0.020 . 1 . . . . . 101 LYS H . 16079 1 45 . 1 1 12 12 LYS CA C 13 53.745 0.3 . 1 . . . . . 101 LYS CA . 16079 1 46 . 1 1 12 12 LYS CB C 13 32.099 0.3 . 1 . . . . . 101 LYS CB . 16079 1 47 . 1 1 12 12 LYS N N 15 122.777 0.3 . 1 . . . . . 101 LYS N . 16079 1 48 . 1 1 13 13 PRO C C 13 176.959 0.3 . 1 . . . . . 102 PRO C . 16079 1 49 . 1 1 13 13 PRO CA C 13 62.652 0.3 . 1 . . . . . 102 PRO CA . 16079 1 50 . 1 1 13 13 PRO CB C 13 31.654 0.3 . 1 . . . . . 102 PRO CB . 16079 1 51 . 1 1 14 14 SER H H 1 8.477 0.020 . 1 . . . . . 103 SER H . 16079 1 52 . 1 1 14 14 SER C C 13 174.184 0.3 . 1 . . . . . 103 SER C . 16079 1 53 . 1 1 14 14 SER CA C 13 57.697 0.3 . 1 . . . . . 103 SER CA . 16079 1 54 . 1 1 14 14 SER CB C 13 63.604 0.3 . 1 . . . . . 103 SER CB . 16079 1 55 . 1 1 14 14 SER N N 15 117.196 0.3 . 1 . . . . . 103 SER N . 16079 1 56 . 1 1 15 15 LYS H H 1 8.378 0.020 . 1 . . . . . 104 LYS H . 16079 1 57 . 1 1 15 15 LYS CA C 13 53.840 0.3 . 1 . . . . . 104 LYS CA . 16079 1 58 . 1 1 15 15 LYS CB C 13 32.327 0.3 . 1 . . . . . 104 LYS CB . 16079 1 59 . 1 1 15 15 LYS N N 15 124.512 0.3 . 1 . . . . . 104 LYS N . 16079 1 60 . 1 1 16 16 PRO C C 13 176.861 0.3 . 1 . . . . . 105 PRO C . 16079 1 61 . 1 1 16 16 PRO CA C 13 62.560 0.3 . 1 . . . . . 105 PRO CA . 16079 1 62 . 1 1 16 16 PRO CB C 13 31.776 0.3 . 1 . . . . . 105 PRO CB . 16079 1 63 . 1 1 17 17 LYS H H 1 8.575 0.020 . 1 . . . . . 106 LYS H . 16079 1 64 . 1 1 17 17 LYS C C 13 176.867 0.3 . 1 . . . . . 106 LYS C . 16079 1 65 . 1 1 17 17 LYS CA C 13 55.943 0.3 . 1 . . . . . 106 LYS CA . 16079 1 66 . 1 1 17 17 LYS CB C 13 32.510 0.3 . 1 . . . . . 106 LYS CB . 16079 1 67 . 1 1 17 17 LYS N N 15 122.412 0.3 . 1 . . . . . 106 LYS N . 16079 1 68 . 1 1 18 18 THR H H 1 8.193 0.020 . 1 . . . . . 107 THR H . 16079 1 69 . 1 1 18 18 THR CA C 13 61.124 0.3 . 1 . . . . . 107 THR CA . 16079 1 70 . 1 1 18 18 THR CB C 13 69.523 0.3 . 1 . . . . . 107 THR CB . 16079 1 71 . 1 1 18 18 THR N N 15 115.588 0.3 . 1 . . . . . 107 THR N . 16079 1 72 . 1 1 19 19 ASN C C 13 174.983 0.3 . 1 . . . . . 108 ASN C . 16079 1 73 . 1 1 19 19 ASN CA C 13 52.563 0.3 . 1 . . . . . 108 ASN CA . 16079 1 74 . 1 1 19 19 ASN CB C 13 38.401 0.3 . 1 . . . . . 108 ASN CB . 16079 1 75 . 1 1 20 20 LEU H H 1 8.283 0.020 . 1 . . . . . 109 LEU H . 16079 1 76 . 1 1 20 20 LEU C C 13 177.242 0.3 . 1 . . . . . 109 LEU C . 16079 1 77 . 1 1 20 20 LEU CA C 13 54.762 0.3 . 1 . . . . . 109 LEU CA . 16079 1 78 . 1 1 20 20 LEU CB C 13 41.813 0.3 . 1 . . . . . 109 LEU CB . 16079 1 79 . 1 1 20 20 LEU N N 15 123.328 0.3 . 1 . . . . . 109 LEU N . 16079 1 80 . 1 1 21 21 LYS H H 1 8.310 0.020 . 1 . . . . . 110 LYS H . 16079 1 81 . 1 1 21 21 LYS C C 13 176.191 0.3 . 1 . . . . . 110 LYS C . 16079 1 82 . 1 1 21 21 LYS CA C 13 55.945 0.3 . 1 . . . . . 110 LYS CA . 16079 1 83 . 1 1 21 21 LYS CB C 13 32.497 0.3 . 1 . . . . . 110 LYS CB . 16079 1 84 . 1 1 21 21 LYS N N 15 121.977 0.3 . 1 . . . . . 110 LYS N . 16079 1 85 . 1 1 22 22 HIS H H 1 8.276 0.020 . 1 . . . . . 111 HIS H . 16079 1 86 . 1 1 22 22 HIS C C 13 174.996 0.3 . 1 . . . . . 111 HIS C . 16079 1 87 . 1 1 22 22 HIS CA C 13 55.654 0.3 . 1 . . . . . 111 HIS CA . 16079 1 88 . 1 1 22 22 HIS CB C 13 30.388 0.3 . 1 . . . . . 111 HIS CB . 16079 1 89 . 1 1 22 22 HIS N N 15 121.143 0.3 . 1 . . . . . 111 HIS N . 16079 1 90 . 1 1 23 23 VAL H H 1 8.100 0.020 . 1 . . . . . 112 VAL H . 16079 1 91 . 1 1 23 23 VAL C C 13 175.784 0.3 . 1 . . . . . 112 VAL C . 16079 1 92 . 1 1 23 23 VAL CA C 13 61.709 0.3 . 1 . . . . . 112 VAL CA . 16079 1 93 . 1 1 23 23 VAL CB C 13 32.382 0.3 . 1 . . . . . 112 VAL CB . 16079 1 94 . 1 1 23 23 VAL N N 15 123.190 0.3 . 1 . . . . . 112 VAL N . 16079 1 95 . 1 1 24 24 VAL H H 1 8.270 0.020 . 1 . . . . . 113 VAL H . 16079 1 96 . 1 1 24 24 VAL C C 13 176.598 0.3 . 1 . . . . . 113 VAL C . 16079 1 97 . 1 1 24 24 VAL CA C 13 61.980 0.3 . 1 . . . . . 113 VAL CA . 16079 1 98 . 1 1 24 24 VAL CB C 13 32.382 0.3 . 1 . . . . . 113 VAL CB . 16079 1 99 . 1 1 24 24 VAL N N 15 124.755 0.3 . 1 . . . . . 113 VAL N . 16079 1 100 . 1 1 25 25 GLY H H 1 8.491 0.020 . 1 . . . . . 114 GLY H . 16079 1 101 . 1 1 25 25 GLY C C 13 173.867 0.3 . 1 . . . . . 114 GLY C . 16079 1 102 . 1 1 25 25 GLY CA C 13 44.668 0.3 . 1 . . . . . 114 GLY CA . 16079 1 103 . 1 1 25 25 GLY N N 15 113.003 0.3 . 1 . . . . . 114 GLY N . 16079 1 104 . 1 1 26 26 VAL H H 1 8.042 0.020 . 1 . . . . . 115 VAL H . 16079 1 105 . 1 1 26 26 VAL C C 13 175.915 0.3 . 1 . . . . . 115 VAL C . 16079 1 106 . 1 1 26 26 VAL CA C 13 61.588 0.3 . 1 . . . . . 115 VAL CA . 16079 1 107 . 1 1 26 26 VAL CB C 13 32.485 0.3 . 1 . . . . . 115 VAL CB . 16079 1 108 . 1 1 26 26 VAL N N 15 119.783 0.3 . 1 . . . . . 115 VAL N . 16079 1 109 . 1 1 27 27 ALA H H 1 8.412 0.020 . 1 . . . . . 116 ALA H . 16079 1 110 . 1 1 27 27 ALA C C 13 177.255 0.3 . 1 . . . . . 116 ALA C . 16079 1 111 . 1 1 27 27 ALA CA C 13 51.884 0.3 . 1 . . . . . 116 ALA CA . 16079 1 112 . 1 1 27 27 ALA CB C 13 18.982 0.3 . 1 . . . . . 116 ALA CB . 16079 1 113 . 1 1 27 27 ALA N N 15 128.097 0.3 . 1 . . . . . 116 ALA N . 16079 1 114 . 1 1 28 28 ALA H H 1 8.279 0.020 . 1 . . . . . 117 ALA H . 16079 1 115 . 1 1 28 28 ALA C C 13 177.623 0.3 . 1 . . . . . 117 ALA C . 16079 1 116 . 1 1 28 28 ALA CA C 13 51.827 0.3 . 1 . . . . . 117 ALA CA . 16079 1 117 . 1 1 28 28 ALA CB C 13 19.081 0.3 . 1 . . . . . 117 ALA CB . 16079 1 118 . 1 1 28 28 ALA N N 15 124.137 0.3 . 1 . . . . . 117 ALA N . 16079 1 119 . 1 1 29 29 VAL H H 1 8.182 0.020 . 1 . . . . . 118 VAL H . 16079 1 120 . 1 1 29 29 VAL C C 13 176.677 0.3 . 1 . . . . . 118 VAL C . 16079 1 121 . 1 1 29 29 VAL CA C 13 61.973 0.3 . 1 . . . . . 118 VAL CA . 16079 1 122 . 1 1 29 29 VAL CB C 13 32.340 0.3 . 1 . . . . . 118 VAL CB . 16079 1 123 . 1 1 29 29 VAL N N 15 119.875 0.3 . 1 . . . . . 118 VAL N . 16079 1 124 . 1 1 30 30 GLY H H 1 8.492 0.020 . 1 . . . . . 119 GLY H . 16079 1 125 . 1 1 30 30 GLY C C 13 173.604 0.3 . 1 . . . . . 119 GLY C . 16079 1 126 . 1 1 30 30 GLY CA C 13 44.704 0.3 . 1 . . . . . 119 GLY CA . 16079 1 127 . 1 1 30 30 GLY N N 15 112.800 0.3 . 1 . . . . . 119 GLY N . 16079 1 128 . 1 1 31 31 ALA H H 1 8.153 0.020 . 1 . . . . . 120 ALA H . 16079 1 129 . 1 1 31 31 ALA C C 13 177.675 0.3 . 1 . . . . . 120 ALA C . 16079 1 130 . 1 1 31 31 ALA CA C 13 51.861 0.3 . 1 . . . . . 120 ALA CA . 16079 1 131 . 1 1 31 31 ALA CB C 13 19.149 0.3 . 1 . . . . . 120 ALA CB . 16079 1 132 . 1 1 31 31 ALA N N 15 123.966 0.3 . 1 . . . . . 120 ALA N . 16079 1 133 . 1 1 32 32 VAL H H 1 8.161 0.020 . 1 . . . . . 121 VAL H . 16079 1 134 . 1 1 32 32 VAL C C 13 176.396 0.3 . 1 . . . . . 121 VAL C . 16079 1 135 . 1 1 32 32 VAL CA C 13 61.976 0.3 . 1 . . . . . 121 VAL CA . 16079 1 136 . 1 1 32 32 VAL CB C 13 32.337 0.3 . 1 . . . . . 121 VAL CB . 16079 1 137 . 1 1 32 32 VAL N N 15 119.885 0.3 . 1 . . . . . 121 VAL N . 16079 1 138 . 1 1 33 33 VAL H H 1 8.315 0.020 . 1 . . . . . 122 VAL H . 16079 1 139 . 1 1 33 33 VAL C C 13 176.671 0.3 . 1 . . . . . 122 VAL C . 16079 1 140 . 1 1 33 33 VAL CA C 13 62.066 0.3 . 1 . . . . . 122 VAL CA . 16079 1 141 . 1 1 33 33 VAL CB C 13 32.084 0.3 . 1 . . . . . 122 VAL CB . 16079 1 142 . 1 1 33 33 VAL N N 15 124.908 0.3 . 1 . . . . . 122 VAL N . 16079 1 143 . 1 1 34 34 GLY H H 1 8.615 0.020 . 1 . . . . . 123 GLY H . 16079 1 144 . 1 1 34 34 GLY C C 13 174.721 0.3 . 1 . . . . . 123 GLY C . 16079 1 145 . 1 1 34 34 GLY CA C 13 44.956 0.3 . 1 . . . . . 123 GLY CA . 16079 1 146 . 1 1 34 34 GLY N N 15 113.752 0.3 . 1 . . . . . 123 GLY N . 16079 1 147 . 1 1 35 35 GLY H H 1 8.297 0.020 . 1 . . . . . 124 GLY H . 16079 1 148 . 1 1 35 35 GLY C C 13 174.379 0.3 . 1 . . . . . 124 GLY C . 16079 1 149 . 1 1 35 35 GLY CA C 13 44.895 0.3 . 1 . . . . . 124 GLY CA . 16079 1 150 . 1 1 35 35 GLY N N 15 108.665 0.3 . 1 . . . . . 124 GLY N . 16079 1 151 . 1 1 36 36 LEU H H 1 8.219 0.020 . 1 . . . . . 125 LEU H . 16079 1 152 . 1 1 36 36 LEU C C 13 177.954 0.3 . 1 . . . . . 125 LEU C . 16079 1 153 . 1 1 36 36 LEU CA C 13 54.492 0.3 . 1 . . . . . 125 LEU CA . 16079 1 154 . 1 1 36 36 LEU CB C 13 42.011 0.3 . 1 . . . . . 125 LEU CB . 16079 1 155 . 1 1 36 36 LEU N N 15 122.023 0.3 . 1 . . . . . 125 LEU N . 16079 1 156 . 1 1 37 37 GLY H H 1 8.574 0.020 . 1 . . . . . 126 GLY H . 16079 1 157 . 1 1 37 37 GLY C C 13 174.799 0.3 . 1 . . . . . 126 GLY C . 16079 1 158 . 1 1 37 37 GLY CA C 13 45.792 0.3 . 1 . . . . . 126 GLY CA . 16079 1 159 . 1 1 37 37 GLY N N 15 110.148 0.3 . 1 . . . . . 126 GLY N . 16079 1 160 . 1 1 38 38 GLY H H 1 8.410 0.020 . 1 . . . . . 127 GLY H . 16079 1 161 . 1 1 38 38 GLY C C 13 173.959 0.3 . 1 . . . . . 127 GLY C . 16079 1 162 . 1 1 38 38 GLY CA C 13 44.599 0.3 . 1 . . . . . 127 GLY CA . 16079 1 163 . 1 1 38 38 GLY N N 15 109.461 0.3 . 1 . . . . . 127 GLY N . 16079 1 164 . 1 1 39 39 TYR H H 1 7.886 0.020 . 1 . . . . . 128 TYR H . 16079 1 165 . 1 1 39 39 TYR C C 13 175.742 0.3 . 1 . . . . . 128 TYR C . 16079 1 166 . 1 1 39 39 TYR CA C 13 57.948 0.3 . 1 . . . . . 128 TYR CA . 16079 1 167 . 1 1 39 39 TYR CB C 13 39.604 0.3 . 1 . . . . . 128 TYR CB . 16079 1 168 . 1 1 39 39 TYR N N 15 118.207 0.3 . 1 . . . . . 128 TYR N . 16079 1 169 . 1 1 40 40 MET H H 1 9.134 0.020 . 1 . . . . . 129 MET H . 16079 1 170 . 1 1 40 40 MET C C 13 172.967 0.3 . 1 . . . . . 129 MET C . 16079 1 171 . 1 1 40 40 MET CA C 13 53.266 0.3 . 1 . . . . . 129 MET CA . 16079 1 172 . 1 1 40 40 MET CB C 13 33.899 0.3 . 1 . . . . . 129 MET CB . 16079 1 173 . 1 1 40 40 MET N N 15 121.668 0.3 . 1 . . . . . 129 MET N . 16079 1 174 . 1 1 41 41 LEU H H 1 8.081 0.020 . 1 . . . . . 130 LEU H . 16079 1 175 . 1 1 41 41 LEU C C 13 178.200 0.3 . 1 . . . . . 130 LEU C . 16079 1 176 . 1 1 41 41 LEU CA C 13 52.797 0.3 . 1 . . . . . 130 LEU CA . 16079 1 177 . 1 1 41 41 LEU CB C 13 43.263 0.3 . 1 . . . . . 130 LEU CB . 16079 1 178 . 1 1 41 41 LEU N N 15 121.384 0.3 . 1 . . . . . 130 LEU N . 16079 1 179 . 1 1 42 42 GLY H H 1 9.425 0.020 . 1 . . . . . 131 GLY H . 16079 1 180 . 1 1 42 42 GLY C C 13 172.823 0.3 . 1 . . . . . 131 GLY C . 16079 1 181 . 1 1 42 42 GLY CA C 13 44.499 0.3 . 1 . . . . . 131 GLY CA . 16079 1 182 . 1 1 42 42 GLY N N 15 115.435 0.3 . 1 . . . . . 131 GLY N . 16079 1 183 . 1 1 43 43 SER H H 1 8.343 0.020 . 1 . . . . . 132 SER H . 16079 1 184 . 1 1 43 43 SER C C 13 174.970 0.3 . 1 . . . . . 132 SER C . 16079 1 185 . 1 1 43 43 SER CA C 13 58.091 0.3 . 1 . . . . . 132 SER CA . 16079 1 186 . 1 1 43 43 SER CB C 13 63.641 0.3 . 1 . . . . . 132 SER CB . 16079 1 187 . 1 1 43 43 SER N N 15 114.007 0.3 . 1 . . . . . 132 SER N . 16079 1 188 . 1 1 44 44 ALA H H 1 8.752 0.020 . 1 . . . . . 133 ALA H . 16079 1 189 . 1 1 44 44 ALA C C 13 177.518 0.3 . 1 . . . . . 133 ALA C . 16079 1 190 . 1 1 44 44 ALA CA C 13 52.487 0.3 . 1 . . . . . 133 ALA CA . 16079 1 191 . 1 1 44 44 ALA CB C 13 18.072 0.3 . 1 . . . . . 133 ALA CB . 16079 1 192 . 1 1 44 44 ALA N N 15 125.778 0.3 . 1 . . . . . 133 ALA N . 16079 1 193 . 1 1 45 45 MET H H 1 8.804 0.020 . 1 . . . . . 134 MET H . 16079 1 194 . 1 1 45 45 MET C C 13 175.640 0.3 . 1 . . . . . 134 MET C . 16079 1 195 . 1 1 45 45 MET CA C 13 53.505 0.3 . 1 . . . . . 134 MET CA . 16079 1 196 . 1 1 45 45 MET CB C 13 36.369 0.3 . 1 . . . . . 134 MET CB . 16079 1 197 . 1 1 45 45 MET N N 15 121.600 0.3 . 1 . . . . . 134 MET N . 16079 1 198 . 1 1 46 46 SER H H 1 8.468 0.020 . 1 . . . . . 135 SER H . 16079 1 199 . 1 1 46 46 SER C C 13 174.432 0.3 . 1 . . . . . 135 SER C . 16079 1 200 . 1 1 46 46 SER CA C 13 58.198 0.3 . 1 . . . . . 135 SER CA . 16079 1 201 . 1 1 46 46 SER CB C 13 62.782 0.3 . 1 . . . . . 135 SER CB . 16079 1 202 . 1 1 46 46 SER N N 15 116.504 0.3 . 1 . . . . . 135 SER N . 16079 1 203 . 1 1 47 47 ARG H H 1 8.698 0.020 . 1 . . . . . 136 ARG H . 16079 1 204 . 1 1 47 47 ARG C C 13 174.623 0.3 . 1 . . . . . 136 ARG C . 16079 1 205 . 1 1 47 47 ARG CA C 13 54.371 0.3 . 1 . . . . . 136 ARG CA . 16079 1 206 . 1 1 47 47 ARG CB C 13 29.172 0.3 . 1 . . . . . 136 ARG CB . 16079 1 207 . 1 1 47 47 ARG N N 15 127.095 0.3 . 1 . . . . . 136 ARG N . 16079 1 208 . 1 1 48 48 PRO C C 13 175.719 0.3 . 1 . . . . . 137 PRO C . 16079 1 209 . 1 1 48 48 PRO CA C 13 61.917 0.3 . 1 . . . . . 137 PRO CA . 16079 1 210 . 1 1 48 48 PRO CB C 13 31.905 0.3 . 1 . . . . . 137 PRO CB . 16079 1 211 . 1 1 49 49 MET H H 1 8.725 0.020 . 1 . . . . . 138 MET H . 16079 1 212 . 1 1 49 49 MET C C 13 175.062 0.3 . 1 . . . . . 138 MET C . 16079 1 213 . 1 1 49 49 MET CA C 13 53.629 0.3 . 1 . . . . . 138 MET CA . 16079 1 214 . 1 1 49 49 MET CB C 13 29.959 0.3 . 1 . . . . . 138 MET CB . 16079 1 215 . 1 1 49 49 MET N N 15 122.180 0.3 . 1 . . . . . 138 MET N . 16079 1 216 . 1 1 50 50 ILE H H 1 6.584 0.020 . 1 . . . . . 139 ILE H . 16079 1 217 . 1 1 50 50 ILE C C 13 173.203 0.3 . 1 . . . . . 139 ILE C . 16079 1 218 . 1 1 50 50 ILE CA C 13 58.733 0.3 . 1 . . . . . 139 ILE CA . 16079 1 219 . 1 1 50 50 ILE CB C 13 38.395 0.3 . 1 . . . . . 139 ILE CB . 16079 1 220 . 1 1 50 50 ILE N N 15 124.684 0.3 . 1 . . . . . 139 ILE N . 16079 1 221 . 1 1 51 51 HIS H H 1 8.128 0.020 . 1 . . . . . 140 HIS H . 16079 1 222 . 1 1 51 51 HIS C C 13 175.271 0.3 . 1 . . . . . 140 HIS C . 16079 1 223 . 1 1 51 51 HIS CA C 13 54.314 0.3 . 1 . . . . . 140 HIS CA . 16079 1 224 . 1 1 51 51 HIS CB C 13 30.406 0.3 . 1 . . . . . 140 HIS CB . 16079 1 225 . 1 1 51 51 HIS N N 15 123.142 0.3 . 1 . . . . . 140 HIS N . 16079 1 226 . 1 1 52 52 PHE H H 1 10.371 0.020 . 1 . . . . . 141 PHE H . 16079 1 227 . 1 1 52 52 PHE C C 13 177.124 0.3 . 1 . . . . . 141 PHE C . 16079 1 228 . 1 1 52 52 PHE CA C 13 59.141 0.3 . 1 . . . . . 141 PHE CA . 16079 1 229 . 1 1 52 52 PHE CB C 13 40.389 0.3 . 1 . . . . . 141 PHE CB . 16079 1 230 . 1 1 52 52 PHE N N 15 125.407 0.3 . 1 . . . . . 141 PHE N . 16079 1 231 . 1 1 53 53 GLY H H 1 8.942 0.020 . 1 . . . . . 142 GLY H . 16079 1 232 . 1 1 53 53 GLY C C 13 173.302 0.3 . 1 . . . . . 142 GLY C . 16079 1 233 . 1 1 53 53 GLY CA C 13 45.272 0.3 . 1 . . . . . 142 GLY CA . 16079 1 234 . 1 1 53 53 GLY N N 15 109.338 0.3 . 1 . . . . . 142 GLY N . 16079 1 235 . 1 1 54 54 ASN H H 1 7.253 0.020 . 1 . . . . . 143 ASN H . 16079 1 236 . 1 1 54 54 ASN C C 13 174.379 0.3 . 1 . . . . . 143 ASN C . 16079 1 237 . 1 1 54 54 ASN CA C 13 52.075 0.3 . 1 . . . . . 143 ASN CA . 16079 1 238 . 1 1 54 54 ASN CB C 13 41.138 0.3 . 1 . . . . . 143 ASN CB . 16079 1 239 . 1 1 54 54 ASN N N 15 114.525 0.3 . 1 . . . . . 143 ASN N . 16079 1 240 . 1 1 55 55 ASP H H 1 9.031 0.020 . 1 . . . . . 144 ASP H . 16079 1 241 . 1 1 55 55 ASP C C 13 177.925 0.3 . 1 . . . . . 144 ASP C . 16079 1 242 . 1 1 55 55 ASP CA C 13 57.362 0.3 . 1 . . . . . 144 ASP CA . 16079 1 243 . 1 1 55 55 ASP CB C 13 40.682 0.3 . 1 . . . . . 144 ASP CB . 16079 1 244 . 1 1 55 55 ASP N N 15 123.488 0.3 . 1 . . . . . 144 ASP N . 16079 1 245 . 1 1 56 56 TRP H H 1 8.564 0.020 . 1 . . . . . 145 TRP H . 16079 1 246 . 1 1 56 56 TRP C C 13 179.198 0.3 . 1 . . . . . 145 TRP C . 16079 1 247 . 1 1 56 56 TRP CA C 13 61.427 0.3 . 1 . . . . . 145 TRP CA . 16079 1 248 . 1 1 56 56 TRP CB C 13 28.063 0.3 . 1 . . . . . 145 TRP CB . 16079 1 249 . 1 1 56 56 TRP N N 15 120.603 0.3 . 1 . . . . . 145 TRP N . 16079 1 250 . 1 1 57 57 GLU H H 1 8.129 0.020 . 1 . . . . . 146 GLU H . 16079 1 251 . 1 1 57 57 GLU C C 13 177.715 0.3 . 1 . . . . . 146 GLU C . 16079 1 252 . 1 1 57 57 GLU CA C 13 59.614 0.3 . 1 . . . . . 146 GLU CA . 16079 1 253 . 1 1 57 57 GLU CB C 13 29.387 0.3 . 1 . . . . . 146 GLU CB . 16079 1 254 . 1 1 57 57 GLU N N 15 120.784 0.3 . 1 . . . . . 146 GLU N . 16079 1 255 . 1 1 58 58 ASP H H 1 7.909 0.020 . 1 . . . . . 147 ASP H . 16079 1 256 . 1 1 58 58 ASP C C 13 179.107 0.3 . 1 . . . . . 147 ASP C . 16079 1 257 . 1 1 58 58 ASP CA C 13 58.191 0.3 . 1 . . . . . 147 ASP CA . 16079 1 258 . 1 1 58 58 ASP CB C 13 40.164 0.3 . 1 . . . . . 147 ASP CB . 16079 1 259 . 1 1 58 58 ASP N N 15 119.074 0.3 . 1 . . . . . 147 ASP N . 16079 1 260 . 1 1 59 59 ARG H H 1 8.042 0.020 . 1 . . . . . 148 ARG H . 16079 1 261 . 1 1 59 59 ARG C C 13 177.610 0.3 . 1 . . . . . 148 ARG C . 16079 1 262 . 1 1 59 59 ARG CA C 13 59.288 0.3 . 1 . . . . . 148 ARG CA . 16079 1 263 . 1 1 59 59 ARG CB C 13 29.174 0.3 . 1 . . . . . 148 ARG CB . 16079 1 264 . 1 1 59 59 ARG N N 15 119.938 0.3 . 1 . . . . . 148 ARG N . 16079 1 265 . 1 1 60 60 TYR H H 1 8.259 0.020 . 1 . . . . . 149 TYR H . 16079 1 266 . 1 1 60 60 TYR C C 13 179.577 0.3 . 1 . . . . . 149 TYR C . 16079 1 267 . 1 1 60 60 TYR CA C 13 61.733 0.3 . 1 . . . . . 149 TYR CA . 16079 1 268 . 1 1 60 60 TYR CB C 13 37.832 0.3 . 1 . . . . . 149 TYR CB . 16079 1 269 . 1 1 60 60 TYR N N 15 121.007 0.3 . 1 . . . . . 149 TYR N . 16079 1 270 . 1 1 61 61 TYR H H 1 9.031 0.020 . 1 . . . . . 150 TYR H . 16079 1 271 . 1 1 61 61 TYR C C 13 177.051 0.3 . 1 . . . . . 150 TYR C . 16079 1 272 . 1 1 61 61 TYR CA C 13 62.660 0.3 . 1 . . . . . 150 TYR CA . 16079 1 273 . 1 1 61 61 TYR CB C 13 37.975 0.3 . 1 . . . . . 150 TYR CB . 16079 1 274 . 1 1 61 61 TYR N N 15 120.767 0.3 . 1 . . . . . 150 TYR N . 16079 1 275 . 1 1 62 62 ARG H H 1 7.891 0.020 . 1 . . . . . 151 ARG H . 16079 1 276 . 1 1 62 62 ARG C C 13 179.158 0.3 . 1 . . . . . 151 ARG C . 16079 1 277 . 1 1 62 62 ARG CA C 13 59.583 0.3 . 1 . . . . . 151 ARG CA . 16079 1 278 . 1 1 62 62 ARG CB C 13 29.284 0.3 . 1 . . . . . 151 ARG CB . 16079 1 279 . 1 1 62 62 ARG N N 15 117.558 0.3 . 1 . . . . . 151 ARG N . 16079 1 280 . 1 1 63 63 GLU H H 1 7.924 0.020 . 1 . . . . . 152 GLU H . 16079 1 281 . 1 1 63 63 GLU C C 13 177.627 0.3 . 1 . . . . . 152 GLU C . 16079 1 282 . 1 1 63 63 GLU CA C 13 57.485 0.3 . 1 . . . . . 152 GLU CA . 16079 1 283 . 1 1 63 63 GLU CB C 13 29.710 0.3 . 1 . . . . . 152 GLU CB . 16079 1 284 . 1 1 63 63 GLU N N 15 116.118 0.3 . 1 . . . . . 152 GLU N . 16079 1 285 . 1 1 64 64 ASN H H 1 7.560 0.020 . 1 . . . . . 153 ASN H . 16079 1 286 . 1 1 64 64 ASN C C 13 175.508 0.3 . 1 . . . . . 153 ASN C . 16079 1 287 . 1 1 64 64 ASN CA C 13 54.539 0.3 . 1 . . . . . 153 ASN CA . 16079 1 288 . 1 1 64 64 ASN CB C 13 40.785 0.3 . 1 . . . . . 153 ASN CB . 16079 1 289 . 1 1 64 64 ASN N N 15 115.430 0.3 . 1 . . . . . 153 ASN N . 16079 1 290 . 1 1 65 65 MET H H 1 7.893 0.020 . 1 . . . . . 154 MET H . 16079 1 291 . 1 1 65 65 MET C C 13 176.396 0.3 . 1 . . . . . 154 MET C . 16079 1 292 . 1 1 65 65 MET CA C 13 58.688 0.3 . 1 . . . . . 154 MET CA . 16079 1 293 . 1 1 65 65 MET CB C 13 29.883 0.3 . 1 . . . . . 154 MET CB . 16079 1 294 . 1 1 65 65 MET N N 15 118.618 0.3 . 1 . . . . . 154 MET N . 16079 1 295 . 1 1 66 66 TYR H H 1 7.597 0.020 . 1 . . . . . 155 TYR H . 16079 1 296 . 1 1 66 66 TYR C C 13 175.904 0.3 . 1 . . . . . 155 TYR C . 16079 1 297 . 1 1 66 66 TYR CA C 13 58.780 0.3 . 1 . . . . . 155 TYR CA . 16079 1 298 . 1 1 66 66 TYR CB C 13 35.528 0.3 . 1 . . . . . 155 TYR CB . 16079 1 299 . 1 1 66 66 TYR N N 15 116.866 0.3 . 1 . . . . . 155 TYR N . 16079 1 300 . 1 1 67 67 ARG H H 1 7.518 0.020 . 1 . . . . . 156 ARG H . 16079 1 301 . 1 1 67 67 ARG C C 13 176.848 0.3 . 1 . . . . . 156 ARG C . 16079 1 302 . 1 1 67 67 ARG CA C 13 55.944 0.3 . 1 . . . . . 156 ARG CA . 16079 1 303 . 1 1 67 67 ARG CB C 13 30.318 0.3 . 1 . . . . . 156 ARG CB . 16079 1 304 . 1 1 67 67 ARG N N 15 119.160 0.3 . 1 . . . . . 156 ARG N . 16079 1 305 . 1 1 68 68 TYR H H 1 7.455 0.020 . 1 . . . . . 157 TYR H . 16079 1 306 . 1 1 68 68 TYR C C 13 172.771 0.3 . 1 . . . . . 157 TYR C . 16079 1 307 . 1 1 68 68 TYR CA C 13 52.266 0.3 . 1 . . . . . 157 TYR CA . 16079 1 308 . 1 1 68 68 TYR CB C 13 34.372 0.3 . 1 . . . . . 157 TYR CB . 16079 1 309 . 1 1 68 68 TYR N N 15 121.716 0.3 . 1 . . . . . 157 TYR N . 16079 1 310 . 1 1 69 69 PRO C C 13 175.075 0.3 . 1 . . . . . 158 PRO C . 16079 1 311 . 1 1 69 69 PRO CA C 13 63.114 0.3 . 1 . . . . . 158 PRO CA . 16079 1 312 . 1 1 69 69 PRO CB C 13 31.712 0.3 . 1 . . . . . 158 PRO CB . 16079 1 313 . 1 1 70 70 ASN H H 1 8.649 0.020 . 1 . . . . . 159 ASN H . 16079 1 314 . 1 1 70 70 ASN C C 13 172.829 0.3 . 1 . . . . . 159 ASN C . 16079 1 315 . 1 1 70 70 ASN CA C 13 51.527 0.3 . 1 . . . . . 159 ASN CA . 16079 1 316 . 1 1 70 70 ASN CB C 13 37.936 0.3 . 1 . . . . . 159 ASN CB . 16079 1 317 . 1 1 70 70 ASN N N 15 116.489 0.3 . 1 . . . . . 159 ASN N . 16079 1 318 . 1 1 71 71 GLN H H 1 7.295 0.020 . 1 . . . . . 160 GLN H . 16079 1 319 . 1 1 71 71 GLN C C 13 174.996 0.3 . 1 . . . . . 160 GLN C . 16079 1 320 . 1 1 71 71 GLN CA C 13 53.726 0.3 . 1 . . . . . 160 GLN CA . 16079 1 321 . 1 1 71 71 GLN CB C 13 32.749 0.3 . 1 . . . . . 160 GLN CB . 16079 1 322 . 1 1 71 71 GLN N N 15 114.537 0.3 . 1 . . . . . 160 GLN N . 16079 1 323 . 1 1 72 72 VAL H H 1 8.473 0.020 . 1 . . . . . 161 VAL H . 16079 1 324 . 1 1 72 72 VAL C C 13 174.158 0.3 . 1 . . . . . 161 VAL C . 16079 1 325 . 1 1 72 72 VAL CA C 13 58.183 0.3 . 1 . . . . . 161 VAL CA . 16079 1 326 . 1 1 72 72 VAL CB C 13 33.579 0.3 . 1 . . . . . 161 VAL CB . 16079 1 327 . 1 1 72 72 VAL N N 15 112.959 0.3 . 1 . . . . . 161 VAL N . 16079 1 328 . 1 1 73 73 TYR H H 1 8.480 0.020 . 1 . . . . . 162 TYR H . 16079 1 329 . 1 1 73 73 TYR C C 13 174.721 0.3 . 1 . . . . . 162 TYR C . 16079 1 330 . 1 1 73 73 TYR CA C 13 56.666 0.3 . 1 . . . . . 162 TYR CA . 16079 1 331 . 1 1 73 73 TYR CB C 13 41.735 0.3 . 1 . . . . . 162 TYR CB . 16079 1 332 . 1 1 73 73 TYR N N 15 121.771 0.3 . 1 . . . . . 162 TYR N . 16079 1 333 . 1 1 74 74 TYR H H 1 8.514 0.020 . 1 . . . . . 163 TYR H . 16079 1 334 . 1 1 74 74 TYR C C 13 173.591 0.3 . 1 . . . . . 163 TYR C . 16079 1 335 . 1 1 74 74 TYR CA C 13 55.518 0.3 . 1 . . . . . 163 TYR CA . 16079 1 336 . 1 1 74 74 TYR N N 15 111.251 0.3 . 1 . . . . . 163 TYR N . 16079 1 337 . 1 1 75 75 ARG H H 1 7.943 0.020 . 1 . . . . . 164 ARG H . 16079 1 338 . 1 1 75 75 ARG C C 13 178.129 0.3 . 1 . . . . . 164 ARG C . 16079 1 339 . 1 1 75 75 ARG CA C 13 53.039 0.3 . 1 . . . . . 164 ARG CA . 16079 1 340 . 1 1 75 75 ARG N N 15 120.875 0.3 . 1 . . . . . 164 ARG N . 16079 1 341 . 1 1 81 81 SER CA C 13 58.372 0.3 . 1 . . . . . 170 SER CA . 16079 1 342 . 1 1 81 81 SER CB C 13 63.800 0.3 . 1 . . . . . 170 SER CB . 16079 1 343 . 1 1 82 82 ASN C C 13 173.980 0.3 . 1 . . . . . 171 ASN C . 16079 1 344 . 1 1 82 82 ASN CA C 13 51.906 0.3 . 1 . . . . . 171 ASN CA . 16079 1 345 . 1 1 82 82 ASN CB C 13 39.627 0.3 . 1 . . . . . 171 ASN CB . 16079 1 346 . 1 1 83 83 GLN H H 1 8.670 0.020 . 1 . . . . . 172 GLN H . 16079 1 347 . 1 1 83 83 GLN C C 13 176.880 0.3 . 1 . . . . . 172 GLN C . 16079 1 348 . 1 1 83 83 GLN CA C 13 58.619 0.3 . 1 . . . . . 172 GLN CA . 16079 1 349 . 1 1 83 83 GLN N N 15 120.237 0.3 . 1 . . . . . 172 GLN N . 16079 1 350 . 1 1 84 84 ASN H H 1 8.423 0.020 . 1 . . . . . 173 ASN H . 16079 1 351 . 1 1 84 84 ASN C C 13 177.744 0.3 . 1 . . . . . 173 ASN C . 16079 1 352 . 1 1 84 84 ASN CA C 13 56.059 0.3 . 1 . . . . . 173 ASN CA . 16079 1 353 . 1 1 84 84 ASN CB C 13 37.211 0.3 . 1 . . . . . 173 ASN CB . 16079 1 354 . 1 1 84 84 ASN N N 15 117.396 0.3 . 1 . . . . . 173 ASN N . 16079 1 355 . 1 1 85 85 ASN H H 1 8.589 0.020 . 1 . . . . . 174 ASN H . 16079 1 356 . 1 1 85 85 ASN C C 13 177.328 0.3 . 1 . . . . . 174 ASN C . 16079 1 357 . 1 1 85 85 ASN CA C 13 55.680 0.3 . 1 . . . . . 174 ASN CA . 16079 1 358 . 1 1 85 85 ASN CB C 13 37.740 0.3 . 1 . . . . . 174 ASN CB . 16079 1 359 . 1 1 85 85 ASN N N 15 118.454 0.3 . 1 . . . . . 174 ASN N . 16079 1 360 . 1 1 86 86 PHE C C 13 177.486 0.3 . 1 . . . . . 175 PHE C . 16079 1 361 . 1 1 86 86 PHE CA C 13 60.307 0.3 . 1 . . . . . 175 PHE CA . 16079 1 362 . 1 1 87 87 VAL H H 1 8.898 0.020 . 1 . . . . . 176 VAL H . 16079 1 363 . 1 1 87 87 VAL C C 13 176.723 0.3 . 1 . . . . . 176 VAL C . 16079 1 364 . 1 1 87 87 VAL CA C 13 67.269 0.3 . 1 . . . . . 176 VAL CA . 16079 1 365 . 1 1 87 87 VAL CB C 13 31.596 0.3 . 1 . . . . . 176 VAL CB . 16079 1 366 . 1 1 87 87 VAL N N 15 120.636 0.3 . 1 . . . . . 176 VAL N . 16079 1 367 . 1 1 88 88 HIS H H 1 8.377 0.020 . 1 . . . . . 177 HIS H . 16079 1 368 . 1 1 88 88 HIS C C 13 177.600 0.3 . 1 . . . . . 177 HIS C . 16079 1 369 . 1 1 88 88 HIS CA C 13 59.454 0.3 . 1 . . . . . 177 HIS CA . 16079 1 370 . 1 1 88 88 HIS CB C 13 29.223 0.3 . 1 . . . . . 177 HIS CB . 16079 1 371 . 1 1 88 88 HIS N N 15 117.833 0.3 . 1 . . . . . 177 HIS N . 16079 1 372 . 1 1 89 89 ASP H H 1 7.438 0.020 . 1 . . . . . 178 ASP H . 16079 1 373 . 1 1 89 89 ASP C C 13 175.899 0.3 . 1 . . . . . 178 ASP C . 16079 1 374 . 1 1 89 89 ASP CA C 13 56.723 0.3 . 1 . . . . . 178 ASP CA . 16079 1 375 . 1 1 89 89 ASP CB C 13 41.050 0.3 . 1 . . . . . 178 ASP CB . 16079 1 376 . 1 1 89 89 ASP N N 15 118.351 0.3 . 1 . . . . . 178 ASP N . 16079 1 377 . 1 1 90 90 CYS H H 1 8.159 0.020 . 1 . . . . . 179 CYS H . 16079 1 378 . 1 1 90 90 CYS C C 13 177.544 0.3 . 1 . . . . . 179 CYS C . 16079 1 379 . 1 1 90 90 CYS CA C 13 58.278 0.3 . 1 . . . . . 179 CYS CA . 16079 1 380 . 1 1 90 90 CYS CB C 13 40.654 0.3 . 1 . . . . . 179 CYS CB . 16079 1 381 . 1 1 90 90 CYS N N 15 119.189 0.3 . 1 . . . . . 179 CYS N . 16079 1 382 . 1 1 91 91 VAL H H 1 9.294 0.020 . 1 . . . . . 180 VAL H . 16079 1 383 . 1 1 91 91 VAL C C 13 177.234 0.3 . 1 . . . . . 180 VAL C . 16079 1 384 . 1 1 91 91 VAL CA C 13 65.714 0.3 . 1 . . . . . 180 VAL CA . 16079 1 385 . 1 1 91 91 VAL CB C 13 31.432 0.3 . 1 . . . . . 180 VAL CB . 16079 1 386 . 1 1 91 91 VAL N N 15 125.151 0.3 . 1 . . . . . 180 VAL N . 16079 1 387 . 1 1 92 92 ASN H H 1 7.598 0.020 . 1 . . . . . 181 ASN H . 16079 1 388 . 1 1 92 92 ASN C C 13 178.556 0.3 . 1 . . . . . 181 ASN C . 16079 1 389 . 1 1 92 92 ASN CA C 13 56.313 0.3 . 1 . . . . . 181 ASN CA . 16079 1 390 . 1 1 92 92 ASN CB C 13 38.669 0.3 . 1 . . . . . 181 ASN CB . 16079 1 391 . 1 1 92 92 ASN N N 15 116.544 0.3 . 1 . . . . . 181 ASN N . 16079 1 392 . 1 1 93 93 ILE H H 1 8.807 0.020 . 1 . . . . . 182 ILE H . 16079 1 393 . 1 1 93 93 ILE C C 13 177.925 0.3 . 1 . . . . . 182 ILE C . 16079 1 394 . 1 1 93 93 ILE CA C 13 61.713 0.3 . 1 . . . . . 182 ILE CA . 16079 1 395 . 1 1 93 93 ILE CB C 13 36.043 0.3 . 1 . . . . . 182 ILE CB . 16079 1 396 . 1 1 93 93 ILE N N 15 119.174 0.3 . 1 . . . . . 182 ILE N . 16079 1 397 . 1 1 94 94 THR H H 1 8.166 0.020 . 1 . . . . . 183 THR H . 16079 1 398 . 1 1 94 94 THR C C 13 177.692 0.3 . 1 . . . . . 183 THR C . 16079 1 399 . 1 1 94 94 THR CA C 13 68.179 0.3 . 1 . . . . . 183 THR CA . 16079 1 400 . 1 1 94 94 THR CB C 13 67.800 0.3 . 1 . . . . . 183 THR CB . 16079 1 401 . 1 1 94 94 THR N N 15 118.242 0.3 . 1 . . . . . 183 THR N . 16079 1 402 . 1 1 95 95 ILE H H 1 8.480 0.020 . 1 . . . . . 184 ILE H . 16079 1 403 . 1 1 95 95 ILE C C 13 178.831 0.3 . 1 . . . . . 184 ILE C . 16079 1 404 . 1 1 95 95 ILE CA C 13 66.141 0.3 . 1 . . . . . 184 ILE CA . 16079 1 405 . 1 1 95 95 ILE CB C 13 36.541 0.3 . 1 . . . . . 184 ILE CB . 16079 1 406 . 1 1 95 95 ILE N N 15 121.287 0.3 . 1 . . . . . 184 ILE N . 16079 1 407 . 1 1 96 96 LYS H H 1 8.151 0.020 . 1 . . . . . 185 LYS H . 16079 1 408 . 1 1 96 96 LYS C C 13 179.080 0.3 . 1 . . . . . 185 LYS C . 16079 1 409 . 1 1 96 96 LYS CA C 13 59.918 0.3 . 1 . . . . . 185 LYS CA . 16079 1 410 . 1 1 96 96 LYS CB C 13 31.748 0.3 . 1 . . . . . 185 LYS CB . 16079 1 411 . 1 1 96 96 LYS N N 15 123.707 0.3 . 1 . . . . . 185 LYS N . 16079 1 412 . 1 1 97 97 GLN H H 1 8.553 0.020 . 1 . . . . . 186 GLN H . 16079 1 413 . 1 1 97 97 GLN C C 13 178.647 0.3 . 1 . . . . . 186 GLN C . 16079 1 414 . 1 1 97 97 GLN CA C 13 57.657 0.3 . 1 . . . . . 186 GLN CA . 16079 1 415 . 1 1 97 97 GLN CB C 13 27.430 0.3 . 1 . . . . . 186 GLN CB . 16079 1 416 . 1 1 97 97 GLN N N 15 117.404 0.3 . 1 . . . . . 186 GLN N . 16079 1 417 . 1 1 98 98 HIS H H 1 8.521 0.020 . 1 . . . . . 187 HIS H . 16079 1 418 . 1 1 98 98 HIS C C 13 178.765 0.3 . 1 . . . . . 187 HIS C . 16079 1 419 . 1 1 98 98 HIS CA C 13 59.422 0.3 . 1 . . . . . 187 HIS CA . 16079 1 420 . 1 1 98 98 HIS CB C 13 31.670 0.3 . 1 . . . . . 187 HIS CB . 16079 1 421 . 1 1 98 98 HIS N N 15 120.407 0.3 . 1 . . . . . 187 HIS N . 16079 1 422 . 1 1 99 99 THR H H 1 8.533 0.020 . 1 . . . . . 188 THR H . 16079 1 423 . 1 1 99 99 THR C C 13 176.493 0.3 . 1 . . . . . 188 THR C . 16079 1 424 . 1 1 99 99 THR CA C 13 66.385 0.3 . 1 . . . . . 188 THR CA . 16079 1 425 . 1 1 99 99 THR CB C 13 68.447 0.3 . 1 . . . . . 188 THR CB . 16079 1 426 . 1 1 99 99 THR N N 15 115.449 0.3 . 1 . . . . . 188 THR N . 16079 1 427 . 1 1 100 100 VAL H H 1 8.099 0.020 . 1 . . . . . 189 VAL H . 16079 1 428 . 1 1 100 100 VAL C C 13 178.581 0.3 . 1 . . . . . 189 VAL C . 16079 1 429 . 1 1 100 100 VAL CA C 13 65.958 0.3 . 1 . . . . . 189 VAL CA . 16079 1 430 . 1 1 100 100 VAL CB C 13 31.272 0.3 . 1 . . . . . 189 VAL CB . 16079 1 431 . 1 1 100 100 VAL N N 15 123.452 0.3 . 1 . . . . . 189 VAL N . 16079 1 432 . 1 1 101 101 THR H H 1 8.218 0.020 . 1 . . . . . 190 THR H . 16079 1 433 . 1 1 101 101 THR C C 13 176.776 0.3 . 1 . . . . . 190 THR C . 16079 1 434 . 1 1 101 101 THR CA C 13 65.088 0.3 . 1 . . . . . 190 THR CA . 16079 1 435 . 1 1 101 101 THR CB C 13 68.838 0.3 . 1 . . . . . 190 THR CB . 16079 1 436 . 1 1 101 101 THR N N 15 115.550 0.3 . 1 . . . . . 190 THR N . 16079 1 437 . 1 1 102 102 THR H H 1 8.053 0.020 . 1 . . . . . 191 THR H . 16079 1 438 . 1 1 102 102 THR C C 13 177.155 0.3 . 1 . . . . . 191 THR C . 16079 1 439 . 1 1 102 102 THR CA C 13 64.957 0.3 . 1 . . . . . 191 THR CA . 16079 1 440 . 1 1 102 102 THR CB C 13 68.706 0.3 . 1 . . . . . 191 THR CB . 16079 1 441 . 1 1 102 102 THR N N 15 114.877 0.3 . 1 . . . . . 191 THR N . 16079 1 442 . 1 1 103 103 THR H H 1 8.285 0.020 . 1 . . . . . 192 THR H . 16079 1 443 . 1 1 103 103 THR C C 13 178.058 0.3 . 1 . . . . . 192 THR C . 16079 1 444 . 1 1 103 103 THR CA C 13 65.039 0.3 . 1 . . . . . 192 THR CA . 16079 1 445 . 1 1 103 103 THR CB C 13 68.830 0.3 . 1 . . . . . 192 THR CB . 16079 1 446 . 1 1 103 103 THR N N 15 118.598 0.3 . 1 . . . . . 192 THR N . 16079 1 447 . 1 1 104 104 THR H H 1 7.828 0.020 . 1 . . . . . 193 THR H . 16079 1 448 . 1 1 104 104 THR C C 13 175.180 0.3 . 1 . . . . . 193 THR C . 16079 1 449 . 1 1 104 104 THR CA C 13 64.415 0.3 . 1 . . . . . 193 THR CA . 16079 1 450 . 1 1 104 104 THR CB C 13 68.706 0.3 . 1 . . . . . 193 THR CB . 16079 1 451 . 1 1 104 104 THR N N 15 116.689 0.3 . 1 . . . . . 193 THR N . 16079 1 452 . 1 1 105 105 LYS H H 1 7.465 0.020 . 1 . . . . . 194 LYS H . 16079 1 453 . 1 1 105 105 LYS C C 13 176.763 0.3 . 1 . . . . . 194 LYS C . 16079 1 454 . 1 1 105 105 LYS CA C 13 55.785 0.3 . 1 . . . . . 194 LYS CA . 16079 1 455 . 1 1 105 105 LYS CB C 13 32.013 0.3 . 1 . . . . . 194 LYS CB . 16079 1 456 . 1 1 105 105 LYS N N 15 119.847 0.3 . 1 . . . . . 194 LYS N . 16079 1 457 . 1 1 106 106 GLY H H 1 7.925 0.020 . 1 . . . . . 195 GLY H . 16079 1 458 . 1 1 106 106 GLY C C 13 174.235 0.3 . 1 . . . . . 195 GLY C . 16079 1 459 . 1 1 106 106 GLY CA C 13 45.072 0.3 . 1 . . . . . 195 GLY CA . 16079 1 460 . 1 1 106 106 GLY N N 15 108.083 0.3 . 1 . . . . . 195 GLY N . 16079 1 461 . 1 1 107 107 GLU H H 1 7.449 0.020 . 1 . . . . . 196 GLU H . 16079 1 462 . 1 1 107 107 GLU C C 13 174.904 0.3 . 1 . . . . . 196 GLU C . 16079 1 463 . 1 1 107 107 GLU CA C 13 55.151 0.3 . 1 . . . . . 196 GLU CA . 16079 1 464 . 1 1 107 107 GLU CB C 13 30.802 0.3 . 1 . . . . . 196 GLU CB . 16079 1 465 . 1 1 107 107 GLU N N 15 120.448 0.3 . 1 . . . . . 196 GLU N . 16079 1 466 . 1 1 108 108 ASN H H 1 8.560 0.020 . 1 . . . . . 197 ASN H . 16079 1 467 . 1 1 108 108 ASN C C 13 173.591 0.3 . 1 . . . . . 197 ASN C . 16079 1 468 . 1 1 108 108 ASN CA C 13 52.314 0.3 . 1 . . . . . 197 ASN CA . 16079 1 469 . 1 1 108 108 ASN CB C 13 40.872 0.3 . 1 . . . . . 197 ASN CB . 16079 1 470 . 1 1 108 108 ASN N N 15 119.679 0.3 . 1 . . . . . 197 ASN N . 16079 1 471 . 1 1 109 109 PHE H H 1 8.787 0.020 . 1 . . . . . 198 PHE H . 16079 1 472 . 1 1 109 109 PHE C C 13 176.684 0.3 . 1 . . . . . 198 PHE C . 16079 1 473 . 1 1 109 109 PHE CA C 13 56.068 0.3 . 1 . . . . . 198 PHE CA . 16079 1 474 . 1 1 109 109 PHE CB C 13 39.745 0.3 . 1 . . . . . 198 PHE CB . 16079 1 475 . 1 1 109 109 PHE N N 15 122.002 0.3 . 1 . . . . . 198 PHE N . 16079 1 476 . 1 1 110 110 THR H H 1 9.608 0.020 . 1 . . . . . 199 THR H . 16079 1 477 . 1 1 110 110 THR C C 13 175.456 0.3 . 1 . . . . . 199 THR C . 16079 1 478 . 1 1 110 110 THR CA C 13 59.965 0.3 . 1 . . . . . 199 THR CA . 16079 1 479 . 1 1 110 110 THR CB C 13 71.765 0.3 . 1 . . . . . 199 THR CB . 16079 1 480 . 1 1 110 110 THR N N 15 116.223 0.3 . 1 . . . . . 199 THR N . 16079 1 481 . 1 1 111 111 GLU H H 1 9.202 0.020 . 1 . . . . . 200 GLU H . 16079 1 482 . 1 1 111 111 GLU C C 13 179.289 0.3 . 1 . . . . . 200 GLU C . 16079 1 483 . 1 1 111 111 GLU CA C 13 59.635 0.3 . 1 . . . . . 200 GLU CA . 16079 1 484 . 1 1 111 111 GLU CB C 13 28.772 0.3 . 1 . . . . . 200 GLU CB . 16079 1 485 . 1 1 111 111 GLU N N 15 120.173 0.3 . 1 . . . . . 200 GLU N . 16079 1 486 . 1 1 112 112 THR H H 1 7.968 0.020 . 1 . . . . . 201 THR H . 16079 1 487 . 1 1 112 112 THR C C 13 175.705 0.3 . 1 . . . . . 201 THR C . 16079 1 488 . 1 1 112 112 THR CA C 13 66.434 0.3 . 1 . . . . . 201 THR CA . 16079 1 489 . 1 1 112 112 THR CB C 13 68.640 0.3 . 1 . . . . . 201 THR CB . 16079 1 490 . 1 1 112 112 THR N N 15 116.879 0.3 . 1 . . . . . 201 THR N . 16079 1 491 . 1 1 113 113 ASP H H 1 7.530 0.020 . 1 . . . . . 202 ASP H . 16079 1 492 . 1 1 113 113 ASP C C 13 177.613 0.3 . 1 . . . . . 202 ASP C . 16079 1 493 . 1 1 113 113 ASP CA C 13 57.607 0.3 . 1 . . . . . 202 ASP CA . 16079 1 494 . 1 1 113 113 ASP CB C 13 41.372 0.3 . 1 . . . . . 202 ASP CB . 16079 1 495 . 1 1 113 113 ASP N N 15 120.136 0.3 . 1 . . . . . 202 ASP N . 16079 1 496 . 1 1 114 114 VAL H H 1 8.264 0.020 . 1 . . . . . 203 VAL H . 16079 1 497 . 1 1 114 114 VAL C C 13 177.430 0.3 . 1 . . . . . 203 VAL C . 16079 1 498 . 1 1 114 114 VAL CA C 13 67.378 0.3 . 1 . . . . . 203 VAL CA . 16079 1 499 . 1 1 114 114 VAL CB C 13 30.978 0.3 . 1 . . . . . 203 VAL CB . 16079 1 500 . 1 1 114 114 VAL N N 15 119.863 0.3 . 1 . . . . . 203 VAL N . 16079 1 501 . 1 1 115 115 LYS H H 1 7.695 0.020 . 1 . . . . . 204 LYS H . 16079 1 502 . 1 1 115 115 LYS C C 13 180.061 0.3 . 1 . . . . . 204 LYS C . 16079 1 503 . 1 1 115 115 LYS CA C 13 58.786 0.3 . 1 . . . . . 204 LYS CA . 16079 1 504 . 1 1 115 115 LYS CB C 13 31.409 0.3 . 1 . . . . . 204 LYS CB . 16079 1 505 . 1 1 115 115 LYS N N 15 119.282 0.3 . 1 . . . . . 204 LYS N . 16079 1 506 . 1 1 116 116 MET H H 1 8.178 0.020 . 1 . . . . . 205 MET H . 16079 1 507 . 1 1 116 116 MET C C 13 178.229 0.3 . 1 . . . . . 205 MET C . 16079 1 508 . 1 1 116 116 MET CA C 13 59.327 0.3 . 1 . . . . . 205 MET CA . 16079 1 509 . 1 1 116 116 MET CB C 13 32.325 0.3 . 1 . . . . . 205 MET CB . 16079 1 510 . 1 1 116 116 MET N N 15 118.656 0.3 . 1 . . . . . 205 MET N . 16079 1 511 . 1 1 117 117 MET H H 1 8.704 0.020 . 1 . . . . . 206 MET H . 16079 1 512 . 1 1 117 117 MET C C 13 177.810 0.3 . 1 . . . . . 206 MET C . 16079 1 513 . 1 1 117 117 MET CA C 13 59.593 0.3 . 1 . . . . . 206 MET CA . 16079 1 514 . 1 1 117 117 MET CB C 13 33.473 0.3 . 1 . . . . . 206 MET CB . 16079 1 515 . 1 1 117 117 MET N N 15 118.434 0.3 . 1 . . . . . 206 MET N . 16079 1 516 . 1 1 118 118 GLU H H 1 8.582 0.020 . 1 . . . . . 207 GLU H . 16079 1 517 . 1 1 118 118 GLU C C 13 178.733 0.3 . 1 . . . . . 207 GLU C . 16079 1 518 . 1 1 118 118 GLU CA C 13 60.320 0.3 . 1 . . . . . 207 GLU CA . 16079 1 519 . 1 1 118 118 GLU CB C 13 28.772 0.3 . 1 . . . . . 207 GLU CB . 16079 1 520 . 1 1 118 118 GLU N N 15 119.104 0.3 . 1 . . . . . 207 GLU N . 16079 1 521 . 1 1 119 119 ARG H H 1 7.281 0.020 . 1 . . . . . 208 ARG H . 16079 1 522 . 1 1 119 119 ARG C C 13 179.367 0.3 . 1 . . . . . 208 ARG C . 16079 1 523 . 1 1 119 119 ARG CA C 13 58.069 0.3 . 1 . . . . . 208 ARG CA . 16079 1 524 . 1 1 119 119 ARG CB C 13 29.585 0.3 . 1 . . . . . 208 ARG CB . 16079 1 525 . 1 1 119 119 ARG N N 15 116.986 0.3 . 1 . . . . . 208 ARG N . 16079 1 526 . 1 1 120 120 VAL H H 1 8.269 0.020 . 1 . . . . . 209 VAL H . 16079 1 527 . 1 1 120 120 VAL C C 13 177.051 0.3 . 1 . . . . . 209 VAL C . 16079 1 528 . 1 1 120 120 VAL CA C 13 65.289 0.3 . 1 . . . . . 209 VAL CA . 16079 1 529 . 1 1 120 120 VAL CB C 13 31.988 0.3 . 1 . . . . . 209 VAL CB . 16079 1 530 . 1 1 120 120 VAL N N 15 119.313 0.3 . 1 . . . . . 209 VAL N . 16079 1 531 . 1 1 121 121 VAL H H 1 9.170 0.020 . 1 . . . . . 210 VAL H . 16079 1 532 . 1 1 121 121 VAL C C 13 177.613 0.3 . 1 . . . . . 210 VAL C . 16079 1 533 . 1 1 121 121 VAL CA C 13 65.984 0.3 . 1 . . . . . 210 VAL CA . 16079 1 534 . 1 1 121 121 VAL CB C 13 30.436 0.3 . 1 . . . . . 210 VAL CB . 16079 1 535 . 1 1 121 121 VAL N N 15 121.560 0.3 . 1 . . . . . 210 VAL N . 16079 1 536 . 1 1 122 122 GLU H H 1 8.009 0.020 . 1 . . . . . 211 GLU H . 16079 1 537 . 1 1 122 122 GLU C C 13 177.535 0.3 . 1 . . . . . 211 GLU C . 16079 1 538 . 1 1 122 122 GLU CA C 13 60.780 0.3 . 1 . . . . . 211 GLU CA . 16079 1 539 . 1 1 122 122 GLU CB C 13 28.527 0.3 . 1 . . . . . 211 GLU CB . 16079 1 540 . 1 1 122 122 GLU N N 15 120.961 0.3 . 1 . . . . . 211 GLU N . 16079 1 541 . 1 1 123 123 GLN H H 1 7.081 0.020 . 1 . . . . . 212 GLN H . 16079 1 542 . 1 1 123 123 GLN C C 13 179.223 0.3 . 1 . . . . . 212 GLN C . 16079 1 543 . 1 1 123 123 GLN CA C 13 58.785 0.3 . 1 . . . . . 212 GLN CA . 16079 1 544 . 1 1 123 123 GLN CB C 13 27.372 0.3 . 1 . . . . . 212 GLN CB . 16079 1 545 . 1 1 123 123 GLN N N 15 115.448 0.3 . 1 . . . . . 212 GLN N . 16079 1 546 . 1 1 124 124 MET H H 1 8.131 0.020 . 1 . . . . . 213 MET H . 16079 1 547 . 1 1 124 124 MET C C 13 178.569 0.3 . 1 . . . . . 213 MET C . 16079 1 548 . 1 1 124 124 MET CA C 13 59.483 0.3 . 1 . . . . . 213 MET CA . 16079 1 549 . 1 1 124 124 MET CB C 13 33.966 0.3 . 1 . . . . . 213 MET CB . 16079 1 550 . 1 1 124 124 MET N N 15 119.678 0.3 . 1 . . . . . 213 MET N . 16079 1 551 . 1 1 125 125 CYS H H 1 9.233 0.020 . 1 . . . . . 214 CYS H . 16079 1 552 . 1 1 125 125 CYS C C 13 176.946 0.3 . 1 . . . . . 214 CYS C . 16079 1 553 . 1 1 125 125 CYS CA C 13 59.782 0.3 . 1 . . . . . 214 CYS CA . 16079 1 554 . 1 1 125 125 CYS CB C 13 41.472 0.3 . 1 . . . . . 214 CYS CB . 16079 1 555 . 1 1 125 125 CYS N N 15 119.705 0.3 . 1 . . . . . 214 CYS N . 16079 1 556 . 1 1 126 126 VAL H H 1 8.511 0.020 . 1 . . . . . 215 VAL H . 16079 1 557 . 1 1 126 126 VAL C C 13 178.085 0.3 . 1 . . . . . 215 VAL C . 16079 1 558 . 1 1 126 126 VAL CA C 13 67.251 0.3 . 1 . . . . . 215 VAL CA . 16079 1 559 . 1 1 126 126 VAL CB C 13 31.118 0.3 . 1 . . . . . 215 VAL CB . 16079 1 560 . 1 1 126 126 VAL N N 15 123.917 0.3 . 1 . . . . . 215 VAL N . 16079 1 561 . 1 1 127 127 THR H H 1 8.125 0.020 . 1 . . . . . 216 THR H . 16079 1 562 . 1 1 127 127 THR C C 13 176.763 0.3 . 1 . . . . . 216 THR C . 16079 1 563 . 1 1 127 127 THR CA C 13 66.655 0.3 . 1 . . . . . 216 THR CA . 16079 1 564 . 1 1 127 127 THR CB C 13 68.038 0.3 . 1 . . . . . 216 THR CB . 16079 1 565 . 1 1 127 127 THR N N 15 118.377 0.3 . 1 . . . . . 216 THR N . 16079 1 566 . 1 1 128 128 GLN H H 1 8.728 0.020 . 1 . . . . . 217 GLN H . 16079 1 567 . 1 1 128 128 GLN C C 13 177.430 0.3 . 1 . . . . . 217 GLN C . 16079 1 568 . 1 1 128 128 GLN CA C 13 58.218 0.3 . 1 . . . . . 217 GLN CA . 16079 1 569 . 1 1 128 128 GLN CB C 13 27.894 0.3 . 1 . . . . . 217 GLN CB . 16079 1 570 . 1 1 128 128 GLN N N 15 122.851 0.3 . 1 . . . . . 217 GLN N . 16079 1 571 . 1 1 129 129 TYR H H 1 8.622 0.020 . 1 . . . . . 218 TYR H . 16079 1 572 . 1 1 129 129 TYR C C 13 178.200 0.3 . 1 . . . . . 218 TYR C . 16079 1 573 . 1 1 129 129 TYR CA C 13 61.652 0.3 . 1 . . . . . 218 TYR CA . 16079 1 574 . 1 1 129 129 TYR CB C 13 41.285 0.3 . 1 . . . . . 218 TYR CB . 16079 1 575 . 1 1 129 129 TYR N N 15 120.434 0.3 . 1 . . . . . 218 TYR N . 16079 1 576 . 1 1 130 130 GLN H H 1 8.255 0.020 . 1 . . . . . 219 GLN H . 16079 1 577 . 1 1 130 130 GLN C C 13 178.581 0.3 . 1 . . . . . 219 GLN C . 16079 1 578 . 1 1 130 130 GLN CA C 13 58.768 0.3 . 1 . . . . . 219 GLN CA . 16079 1 579 . 1 1 130 130 GLN CB C 13 26.946 0.3 . 1 . . . . . 219 GLN CB . 16079 1 580 . 1 1 130 130 GLN N N 15 119.941 0.3 . 1 . . . . . 219 GLN N . 16079 1 581 . 1 1 131 131 LYS H H 1 7.866 0.020 . 1 . . . . . 220 LYS H . 16079 1 582 . 1 1 131 131 LYS C C 13 179.812 0.3 . 1 . . . . . 220 LYS C . 16079 1 583 . 1 1 131 131 LYS CA C 13 58.857 0.3 . 1 . . . . . 220 LYS CA . 16079 1 584 . 1 1 131 131 LYS CB C 13 32.079 0.3 . 1 . . . . . 220 LYS CB . 16079 1 585 . 1 1 131 131 LYS N N 15 119.574 0.3 . 1 . . . . . 220 LYS N . 16079 1 586 . 1 1 132 132 GLU H H 1 8.434 0.020 . 1 . . . . . 221 GLU H . 16079 1 587 . 1 1 132 132 GLU C C 13 179.277 0.3 . 1 . . . . . 221 GLU C . 16079 1 588 . 1 1 132 132 GLU CA C 13 57.464 0.3 . 1 . . . . . 221 GLU CA . 16079 1 589 . 1 1 132 132 GLU CB C 13 29.644 0.3 . 1 . . . . . 221 GLU CB . 16079 1 590 . 1 1 132 132 GLU N N 15 118.576 0.3 . 1 . . . . . 221 GLU N . 16079 1 591 . 1 1 133 133 SER H H 1 8.426 0.020 . 1 . . . . . 222 SER H . 16079 1 592 . 1 1 133 133 SER C C 13 175.742 0.3 . 1 . . . . . 222 SER C . 16079 1 593 . 1 1 133 133 SER CA C 13 60.728 0.3 . 1 . . . . . 222 SER CA . 16079 1 594 . 1 1 133 133 SER CB C 13 62.243 0.3 . 1 . . . . . 222 SER CB . 16079 1 595 . 1 1 133 133 SER N N 15 115.424 0.3 . 1 . . . . . 222 SER N . 16079 1 596 . 1 1 134 134 GLN H H 1 7.606 0.020 . 1 . . . . . 223 GLN H . 16079 1 597 . 1 1 134 134 GLN C C 13 177.221 0.3 . 1 . . . . . 223 GLN C . 16079 1 598 . 1 1 134 134 GLN CA C 13 57.717 0.3 . 1 . . . . . 223 GLN CA . 16079 1 599 . 1 1 134 134 GLN CB C 13 27.896 0.3 . 1 . . . . . 223 GLN CB . 16079 1 600 . 1 1 134 134 GLN N N 15 120.945 0.3 . 1 . . . . . 223 GLN N . 16079 1 601 . 1 1 135 135 ALA H H 1 7.606 0.020 . 1 . . . . . 224 ALA H . 16079 1 602 . 1 1 135 135 ALA C C 13 179.014 0.3 . 1 . . . . . 224 ALA C . 16079 1 603 . 1 1 135 135 ALA CA C 13 53.660 0.3 . 1 . . . . . 224 ALA CA . 16079 1 604 . 1 1 135 135 ALA CB C 13 18.051 0.3 . 1 . . . . . 224 ALA CB . 16079 1 605 . 1 1 135 135 ALA N N 15 120.858 0.3 . 1 . . . . . 224 ALA N . 16079 1 606 . 1 1 136 136 TYR H H 1 7.943 0.020 . 1 . . . . . 225 TYR H . 16079 1 607 . 1 1 136 136 TYR C C 13 177.217 0.3 . 1 . . . . . 225 TYR C . 16079 1 608 . 1 1 136 136 TYR CA C 13 59.504 0.3 . 1 . . . . . 225 TYR CA . 16079 1 609 . 1 1 136 136 TYR CB C 13 38.255 0.3 . 1 . . . . . 225 TYR CB . 16079 1 610 . 1 1 136 136 TYR N N 15 119.350 0.3 . 1 . . . . . 225 TYR N . 16079 1 611 . 1 1 137 137 TYR H H 1 8.053 0.020 . 1 . . . . . 226 TYR H . 16079 1 612 . 1 1 137 137 TYR C C 13 176.953 0.3 . 1 . . . . . 226 TYR C . 16079 1 613 . 1 1 137 137 TYR CA C 13 59.353 0.3 . 1 . . . . . 226 TYR CA . 16079 1 614 . 1 1 137 137 TYR CB C 13 37.822 0.3 . 1 . . . . . 226 TYR CB . 16079 1 615 . 1 1 137 137 TYR N N 15 119.895 0.3 . 1 . . . . . 226 TYR N . 16079 1 616 . 1 1 138 138 ASP H H 1 8.253 0.020 . 1 . . . . . 227 ASP H . 16079 1 617 . 1 1 138 138 ASP C C 13 177.312 0.3 . 1 . . . . . 227 ASP C . 16079 1 618 . 1 1 138 138 ASP CA C 13 54.870 0.3 . 1 . . . . . 227 ASP CA . 16079 1 619 . 1 1 138 138 ASP CB C 13 40.407 0.3 . 1 . . . . . 227 ASP CB . 16079 1 620 . 1 1 138 138 ASP N N 15 121.189 0.3 . 1 . . . . . 227 ASP N . 16079 1 621 . 1 1 139 139 GLY H H 1 7.860 0.020 . 1 . . . . . 228 GLY H . 16079 1 622 . 1 1 139 139 GLY C C 13 174.433 0.3 . 1 . . . . . 228 GLY C . 16079 1 623 . 1 1 139 139 GLY CA C 13 45.177 0.3 . 1 . . . . . 228 GLY CA . 16079 1 624 . 1 1 139 139 GLY N N 15 108.169 0.3 . 1 . . . . . 228 GLY N . 16079 1 625 . 1 1 140 140 ARG H H 1 7.838 0.020 . 1 . . . . . 229 ARG H . 16079 1 626 . 1 1 140 140 ARG C C 13 176.226 0.3 . 1 . . . . . 229 ARG C . 16079 1 627 . 1 1 140 140 ARG CA C 13 55.728 0.3 . 1 . . . . . 229 ARG CA . 16079 1 628 . 1 1 140 140 ARG CB C 13 30.145 0.3 . 1 . . . . . 229 ARG CB . 16079 1 629 . 1 1 140 140 ARG N N 15 120.258 0.3 . 1 . . . . . 229 ARG N . 16079 1 630 . 1 1 141 141 ARG H H 1 8.253 0.020 . 1 . . . . . 230 ARG H . 16079 1 631 . 1 1 141 141 ARG C C 13 175.532 0.3 . 1 . . . . . 230 ARG C . 16079 1 632 . 1 1 141 141 ARG CA C 13 55.472 0.3 . 1 . . . . . 230 ARG CA . 16079 1 633 . 1 1 141 141 ARG CB C 13 30.493 0.3 . 1 . . . . . 230 ARG CB . 16079 1 634 . 1 1 141 141 ARG N N 15 122.762 0.3 . 1 . . . . . 230 ARG N . 16079 1 635 . 1 1 142 142 SER H H 1 8.010 0.020 . 1 . . . . . 231 SER H . 16079 1 636 . 1 1 142 142 SER C C 13 178.615 0.3 . 1 . . . . . 231 SER C . 16079 1 637 . 1 1 142 142 SER CA C 13 59.523 0.3 . 1 . . . . . 231 SER CA . 16079 1 638 . 1 1 142 142 SER CB C 13 64.530 0.3 . 1 . . . . . 231 SER CB . 16079 1 639 . 1 1 142 142 SER N N 15 122.992 0.3 . 1 . . . . . 231 SER N . 16079 1 stop_ save_