data_16071 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16071 _Entry.Title ; Mouse prion protein fragment 90-231 at pH 7.0 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-12-19 _Entry.Accession_date 2008-12-19 _Entry.Last_release_date 2008-12-19 _Entry.Original_release_date 2008-12-19 _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. . . 16071 2 Kurt Wuthrich . . . . 16071 3 Simone Hornemann . . . . 16071 4 Christine 'von Schroetter' . . . . 16071 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' . 16071 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' . 16071 2 . 'Institute for Molecular Biology and Biophysics' . 16071 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'detergent micelles' . 16071 'mouse prion protein variants' . 16071 'pH-dependent conformational transition' . 16071 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16071 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 389 16071 '15N chemical shifts' 127 16071 '1H chemical shifts' 127 16071 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 2008-12-19 update BMRB 'complete entry citation' 16071 1 . . 2009-06-26 2008-12-19 original author 'original release' 16071 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16075 'mPrP90 (P102L)' 16071 BMRB 16076 'mPrP90 (M129V)' 16071 BMRB 16077 'mPrP90 (P105L)' 16071 BMRB 16078 'mPrP90 (A117V)' 16071 BMRB 16079 'mPrP90 (3AV)' 16071 BMRB 16080 'mPrP90 (2II)' 16071 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16071 _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 . . . . 16071 1 2 Christine 'von Schroetter' . . . . 16071 1 3 Fred Damberger . F. . . 16071 1 4 Kurt Wuthrich . . . . 16071 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16071 _Assembly.ID 1 _Assembly.Name mPrP90 _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 164114.1 _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 1 $mPrP90 A . yes native no no . . . 16071 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 1 . 1 mPrP90 1 CYS 92 92 SG . 1 mPrP90 1 CYS 127 127 SG . mPrP90 . 179 CYS SG . mPrP90 . 214 CYS SG 16071 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 92 92 HG . 179 CYS HG 16071 1 2 . 1 1 CYS 127 127 HG . 214 CYS HG 16071 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID unknown 16071 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_mPrP90 _Entity.Sf_category entity _Entity.Sf_framecode mPrP90 _Entity.Entry_ID 16071 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name mPrP90 _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 ; GSGQGGGTHNQWNKPSKPKT NLKHVAGAAAAGAVVGGLGG YMLGSAMSRPMIHFGNDWED RYYRENMYRYPNQVYYRPVD QYSNQNNFVHDCVNITIKQH TVTTTTKGENFTETDVKMME RVVEQMCVTQYQKESQAYYD GRRS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; G88 S89 G90 ... ; _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 144 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'mouse prion protein fragment 90-231' _Entity.Mutation none _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 164114.1 _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 . . . . . . . . . . . . . . . . 16071 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID unknown 16071 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 88 GLY . 16071 1 2 89 SER . 16071 1 3 90 GLY . 16071 1 4 91 GLN . 16071 1 5 92 GLY . 16071 1 6 93 GLY . 16071 1 7 94 GLY . 16071 1 8 95 THR . 16071 1 9 96 HIS . 16071 1 10 97 ASN . 16071 1 11 98 GLN . 16071 1 12 99 TRP . 16071 1 13 100 ASN . 16071 1 14 101 LYS . 16071 1 15 102 PRO . 16071 1 16 103 SER . 16071 1 17 104 LYS . 16071 1 18 105 PRO . 16071 1 19 106 LYS . 16071 1 20 107 THR . 16071 1 21 108 ASN . 16071 1 22 109 LEU . 16071 1 23 110 LYS . 16071 1 24 111 HIS . 16071 1 25 112 VAL . 16071 1 26 113 ALA . 16071 1 27 114 GLY . 16071 1 28 115 ALA . 16071 1 29 116 ALA . 16071 1 30 117 ALA . 16071 1 31 118 ALA . 16071 1 32 119 GLY . 16071 1 33 120 ALA . 16071 1 34 121 VAL . 16071 1 35 122 VAL . 16071 1 36 123 GLY . 16071 1 37 124 GLY . 16071 1 38 125 LEU . 16071 1 39 126 GLY . 16071 1 40 127 GLY . 16071 1 41 128 TYR . 16071 1 42 129 MET . 16071 1 43 130 LEU . 16071 1 44 131 GLY . 16071 1 45 132 SER . 16071 1 46 133 ALA . 16071 1 47 134 MET . 16071 1 48 135 SER . 16071 1 49 136 ARG . 16071 1 50 137 PRO . 16071 1 51 138 MET . 16071 1 52 139 ILE . 16071 1 53 140 HIS . 16071 1 54 141 PHE . 16071 1 55 142 GLY . 16071 1 56 143 ASN . 16071 1 57 144 ASP . 16071 1 58 145 TRP . 16071 1 59 146 GLU . 16071 1 60 147 ASP . 16071 1 61 148 ARG . 16071 1 62 149 TYR . 16071 1 63 150 TYR . 16071 1 64 151 ARG . 16071 1 65 152 GLU . 16071 1 66 153 ASN . 16071 1 67 154 MET . 16071 1 68 155 TYR . 16071 1 69 156 ARG . 16071 1 70 157 TYR . 16071 1 71 158 PRO . 16071 1 72 159 ASN . 16071 1 73 160 GLN . 16071 1 74 161 VAL . 16071 1 75 162 TYR . 16071 1 76 163 TYR . 16071 1 77 164 ARG . 16071 1 78 165 PRO . 16071 1 79 166 VAL . 16071 1 80 167 ASP . 16071 1 81 168 GLN . 16071 1 82 169 TYR . 16071 1 83 170 SER . 16071 1 84 171 ASN . 16071 1 85 172 GLN . 16071 1 86 173 ASN . 16071 1 87 174 ASN . 16071 1 88 175 PHE . 16071 1 89 176 VAL . 16071 1 90 177 HIS . 16071 1 91 178 ASP . 16071 1 92 179 CYS . 16071 1 93 180 VAL . 16071 1 94 181 ASN . 16071 1 95 182 ILE . 16071 1 96 183 THR . 16071 1 97 184 ILE . 16071 1 98 185 LYS . 16071 1 99 186 GLN . 16071 1 100 187 HIS . 16071 1 101 188 THR . 16071 1 102 189 VAL . 16071 1 103 190 THR . 16071 1 104 191 THR . 16071 1 105 192 THR . 16071 1 106 193 THR . 16071 1 107 194 LYS . 16071 1 108 195 GLY . 16071 1 109 196 GLU . 16071 1 110 197 ASN . 16071 1 111 198 PHE . 16071 1 112 199 THR . 16071 1 113 200 GLU . 16071 1 114 201 THR . 16071 1 115 202 ASP . 16071 1 116 203 VAL . 16071 1 117 204 LYS . 16071 1 118 205 MET . 16071 1 119 206 MET . 16071 1 120 207 GLU . 16071 1 121 208 ARG . 16071 1 122 209 VAL . 16071 1 123 210 VAL . 16071 1 124 211 GLU . 16071 1 125 212 GLN . 16071 1 126 213 MET . 16071 1 127 214 CYS . 16071 1 128 215 VAL . 16071 1 129 216 THR . 16071 1 130 217 GLN . 16071 1 131 218 TYR . 16071 1 132 219 GLN . 16071 1 133 220 LYS . 16071 1 134 221 GLU . 16071 1 135 222 SER . 16071 1 136 223 GLN . 16071 1 137 224 ALA . 16071 1 138 225 TYR . 16071 1 139 226 TYR . 16071 1 140 227 ASP . 16071 1 141 228 GLY . 16071 1 142 229 ARG . 16071 1 143 230 ARG . 16071 1 144 231 SER . 16071 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 16071 1 . SER 2 2 16071 1 . GLY 3 3 16071 1 . GLN 4 4 16071 1 . GLY 5 5 16071 1 . GLY 6 6 16071 1 . GLY 7 7 16071 1 . THR 8 8 16071 1 . HIS 9 9 16071 1 . ASN 10 10 16071 1 . GLN 11 11 16071 1 . TRP 12 12 16071 1 . ASN 13 13 16071 1 . LYS 14 14 16071 1 . PRO 15 15 16071 1 . SER 16 16 16071 1 . LYS 17 17 16071 1 . PRO 18 18 16071 1 . LYS 19 19 16071 1 . THR 20 20 16071 1 . ASN 21 21 16071 1 . LEU 22 22 16071 1 . LYS 23 23 16071 1 . HIS 24 24 16071 1 . VAL 25 25 16071 1 . ALA 26 26 16071 1 . GLY 27 27 16071 1 . ALA 28 28 16071 1 . ALA 29 29 16071 1 . ALA 30 30 16071 1 . ALA 31 31 16071 1 . GLY 32 32 16071 1 . ALA 33 33 16071 1 . VAL 34 34 16071 1 . VAL 35 35 16071 1 . GLY 36 36 16071 1 . GLY 37 37 16071 1 . LEU 38 38 16071 1 . GLY 39 39 16071 1 . GLY 40 40 16071 1 . TYR 41 41 16071 1 . MET 42 42 16071 1 . LEU 43 43 16071 1 . GLY 44 44 16071 1 . SER 45 45 16071 1 . ALA 46 46 16071 1 . MET 47 47 16071 1 . SER 48 48 16071 1 . ARG 49 49 16071 1 . PRO 50 50 16071 1 . MET 51 51 16071 1 . ILE 52 52 16071 1 . HIS 53 53 16071 1 . PHE 54 54 16071 1 . GLY 55 55 16071 1 . ASN 56 56 16071 1 . ASP 57 57 16071 1 . TRP 58 58 16071 1 . GLU 59 59 16071 1 . ASP 60 60 16071 1 . ARG 61 61 16071 1 . TYR 62 62 16071 1 . TYR 63 63 16071 1 . ARG 64 64 16071 1 . GLU 65 65 16071 1 . ASN 66 66 16071 1 . MET 67 67 16071 1 . TYR 68 68 16071 1 . ARG 69 69 16071 1 . TYR 70 70 16071 1 . PRO 71 71 16071 1 . ASN 72 72 16071 1 . GLN 73 73 16071 1 . VAL 74 74 16071 1 . TYR 75 75 16071 1 . TYR 76 76 16071 1 . ARG 77 77 16071 1 . PRO 78 78 16071 1 . VAL 79 79 16071 1 . ASP 80 80 16071 1 . GLN 81 81 16071 1 . TYR 82 82 16071 1 . SER 83 83 16071 1 . ASN 84 84 16071 1 . GLN 85 85 16071 1 . ASN 86 86 16071 1 . ASN 87 87 16071 1 . PHE 88 88 16071 1 . VAL 89 89 16071 1 . HIS 90 90 16071 1 . ASP 91 91 16071 1 . CYS 92 92 16071 1 . VAL 93 93 16071 1 . ASN 94 94 16071 1 . ILE 95 95 16071 1 . THR 96 96 16071 1 . ILE 97 97 16071 1 . LYS 98 98 16071 1 . GLN 99 99 16071 1 . HIS 100 100 16071 1 . THR 101 101 16071 1 . VAL 102 102 16071 1 . THR 103 103 16071 1 . THR 104 104 16071 1 . THR 105 105 16071 1 . THR 106 106 16071 1 . LYS 107 107 16071 1 . GLY 108 108 16071 1 . GLU 109 109 16071 1 . ASN 110 110 16071 1 . PHE 111 111 16071 1 . THR 112 112 16071 1 . GLU 113 113 16071 1 . THR 114 114 16071 1 . ASP 115 115 16071 1 . VAL 116 116 16071 1 . LYS 117 117 16071 1 . MET 118 118 16071 1 . MET 119 119 16071 1 . GLU 120 120 16071 1 . ARG 121 121 16071 1 . VAL 122 122 16071 1 . VAL 123 123 16071 1 . GLU 124 124 16071 1 . GLN 125 125 16071 1 . MET 126 126 16071 1 . CYS 127 127 16071 1 . VAL 128 128 16071 1 . THR 129 129 16071 1 . GLN 130 130 16071 1 . TYR 131 131 16071 1 . GLN 132 132 16071 1 . LYS 133 133 16071 1 . GLU 134 134 16071 1 . SER 135 135 16071 1 . GLN 136 136 16071 1 . ALA 137 137 16071 1 . TYR 138 138 16071 1 . TYR 139 139 16071 1 . ASP 140 140 16071 1 . GLY 141 141 16071 1 . ARG 142 142 16071 1 . ARG 143 143 16071 1 . SER 144 144 16071 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 16071 _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 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 16071 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 16071 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli K12 BL21 . . . . 'pRSET A' . . . 16071 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16071 _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 '[U-99% 13C; U-99% 15N]' . . 1 $mPrP90 . . 1.2 . . mM 0.05 . . . 16071 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16071 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16071 1 4 'Sodium Phosphate buffer at pH 7.0' 'natural abundance' . . . . . . 5 . . mM . . . . 16071 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 16071 _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 16071 1 pH 7.0 0.05 pH 16071 1 pressure 1 . atm 16071 1 temperature 293.2 0.2 K 16071 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 16071 _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 16071 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16071 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 16071 _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 16071 _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' . . 16071 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 16071 _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 . . . . . . . . . . . . . . . . 16071 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16071 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16071 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16071 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16071 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16071 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16071 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 16071 _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 . . . . . 16071 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 16071 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . 16071 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 16071 _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' . . . 16071 1 3 '3D CBCA(CO)NH' . . . 16071 1 4 '3D HNCO' . . . 16071 1 5 '3D HNCA' . . . 16071 1 6 '3D HNCACB' . . . 16071 1 7 '3D HN(CA)CO' . . . 16071 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 . . 16071 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 2 2 SER C C 13 174.733 0.3 . 1 . . . . . 89 SER C . 16071 1 2 . 1 1 3 3 GLY H H 1 8.321 0.020 . 1 . . . . . 90 GLY H . 16071 1 3 . 1 1 3 3 GLY C C 13 174.302 0.3 . 1 . . . . . 90 GLY C . 16071 1 4 . 1 1 3 3 GLY CA C 13 44.893 0.3 . 1 . . . . . 90 GLY CA . 16071 1 5 . 1 1 3 3 GLY N N 15 109.350 0.3 . 1 . . . . . 90 GLY N . 16071 1 6 . 1 1 4 4 GLN H H 1 8.362 0.020 . 1 . . . . . 91 GLN H . 16071 1 7 . 1 1 4 4 GLN C C 13 176.761 0.3 . 1 . . . . . 91 GLN C . 16071 1 8 . 1 1 4 4 GLN CA C 13 55.628 0.3 . 1 . . . . . 91 GLN CA . 16071 1 9 . 1 1 4 4 GLN CB C 13 29.026 0.3 . 1 . . . . . 91 GLN CB . 16071 1 10 . 1 1 4 4 GLN N N 15 120.242 0.3 . 1 . . . . . 91 GLN N . 16071 1 11 . 1 1 5 5 GLY H H 1 8.596 0.020 . 1 . . . . . 92 GLY H . 16071 1 12 . 1 1 5 5 GLY C C 13 174.797 0.3 . 1 . . . . . 92 GLY C . 16071 1 13 . 1 1 5 5 GLY CA C 13 44.926 0.3 . 1 . . . . . 92 GLY CA . 16071 1 14 . 1 1 5 5 GLY N N 15 110.918 0.3 . 1 . . . . . 92 GLY N . 16071 1 15 . 1 1 6 6 GLY H H 1 8.381 0.020 . 1 . . . . . 93 GLY H . 16071 1 16 . 1 1 6 6 GLY C C 13 174.776 0.3 . 1 . . . . . 93 GLY C . 16071 1 17 . 1 1 6 6 GLY CA C 13 44.795 0.3 . 1 . . . . . 93 GLY CA . 16071 1 18 . 1 1 6 6 GLY N N 15 109.132 0.3 . 1 . . . . . 93 GLY N . 16071 1 19 . 1 1 7 7 GLY H H 1 8.407 0.020 . 1 . . . . . 94 GLY H . 16071 1 20 . 1 1 7 7 GLY C C 13 174.534 0.3 . 1 . . . . . 94 GLY C . 16071 1 21 . 1 1 7 7 GLY CA C 13 44.732 0.3 . 1 . . . . . 94 GLY CA . 16071 1 22 . 1 1 7 7 GLY N N 15 109.076 0.3 . 1 . . . . . 94 GLY N . 16071 1 23 . 1 1 8 8 THR H H 1 8.168 0.020 . 1 . . . . . 95 THR H . 16071 1 24 . 1 1 8 8 THR C C 13 174.831 0.3 . 1 . . . . . 95 THR C . 16071 1 25 . 1 1 8 8 THR CA C 13 61.568 0.3 . 1 . . . . . 95 THR CA . 16071 1 26 . 1 1 8 8 THR CB C 13 69.153 0.3 . 1 . . . . . 95 THR CB . 16071 1 27 . 1 1 8 8 THR N N 15 113.670 0.3 . 1 . . . . . 95 THR N . 16071 1 28 . 1 1 10 10 ASN C C 13 175.226 0.3 . 1 . . . . . 97 ASN C . 16071 1 29 . 1 1 10 10 ASN CA C 13 52.740 0.3 . 1 . . . . . 97 ASN CA . 16071 1 30 . 1 1 10 10 ASN CB C 13 38.305 0.3 . 1 . . . . . 97 ASN CB . 16071 1 31 . 1 1 11 11 GLN H H 1 8.367 0.020 . 1 . . . . . 98 GLN H . 16071 1 32 . 1 1 11 11 GLN C C 13 175.763 0.3 . 1 . . . . . 98 GLN C . 16071 1 33 . 1 1 11 11 GLN CA C 13 55.786 0.3 . 1 . . . . . 98 GLN CA . 16071 1 34 . 1 1 11 11 GLN CB C 13 28.702 0.3 . 1 . . . . . 98 GLN CB . 16071 1 35 . 1 1 11 11 GLN N N 15 120.447 0.3 . 1 . . . . . 98 GLN N . 16071 1 36 . 1 1 12 12 TRP H H 1 8.084 0.020 . 1 . . . . . 99 TRP H . 16071 1 37 . 1 1 12 12 TRP C C 13 175.902 0.3 . 1 . . . . . 99 TRP C . 16071 1 38 . 1 1 12 12 TRP CA C 13 56.729 0.3 . 1 . . . . . 99 TRP CA . 16071 1 39 . 1 1 12 12 TRP CB C 13 28.790 0.3 . 1 . . . . . 99 TRP CB . 16071 1 40 . 1 1 12 12 TRP N N 15 121.244 0.3 . 1 . . . . . 99 TRP N . 16071 1 41 . 1 1 13 13 ASN H H 1 8.081 0.020 . 1 . . . . . 100 ASN H . 16071 1 42 . 1 1 13 13 ASN C C 13 174.343 0.3 . 1 . . . . . 100 ASN C . 16071 1 43 . 1 1 13 13 ASN CA C 13 52.388 0.3 . 1 . . . . . 100 ASN CA . 16071 1 44 . 1 1 13 13 ASN CB C 13 38.371 0.3 . 1 . . . . . 100 ASN CB . 16071 1 45 . 1 1 13 13 ASN N N 15 120.188 0.3 . 1 . . . . . 100 ASN N . 16071 1 46 . 1 1 14 14 LYS H H 1 8.023 0.020 . 1 . . . . . 101 LYS H . 16071 1 47 . 1 1 14 14 LYS C C 13 178.724 0.3 . 1 . . . . . 101 LYS C . 16071 1 48 . 1 1 14 14 LYS CA C 13 53.718 0.3 . 1 . . . . . 101 LYS CA . 16071 1 49 . 1 1 14 14 LYS CB C 13 32.170 0.3 . 1 . . . . . 101 LYS CB . 16071 1 50 . 1 1 14 14 LYS N N 15 122.799 0.3 . 1 . . . . . 101 LYS N . 16071 1 51 . 1 1 15 15 PRO C C 13 176.966 0.3 . 1 . . . . . 102 PRO C . 16071 1 52 . 1 1 15 15 PRO CA C 13 62.615 0.3 . 1 . . . . . 102 PRO CA . 16071 1 53 . 1 1 15 15 PRO CB C 13 31.867 0.3 . 1 . . . . . 102 PRO CB . 16071 1 54 . 1 1 16 16 SER H H 1 8.482 0.020 . 1 . . . . . 103 SER H . 16071 1 55 . 1 1 16 16 SER C C 13 174.163 0.3 . 1 . . . . . 103 SER C . 16071 1 56 . 1 1 16 16 SER CA C 13 57.697 0.3 . 1 . . . . . 103 SER CA . 16071 1 57 . 1 1 16 16 SER CB C 13 63.483 0.3 . 1 . . . . . 103 SER CB . 16071 1 58 . 1 1 16 16 SER N N 15 117.221 0.3 . 1 . . . . . 103 SER N . 16071 1 59 . 1 1 17 17 LYS H H 1 8.378 0.020 . 1 . . . . . 104 LYS H . 16071 1 60 . 1 1 17 17 LYS C C 13 174.391 0.3 . 1 . . . . . 104 LYS C . 16071 1 61 . 1 1 17 17 LYS CA C 13 53.764 0.3 . 1 . . . . . 104 LYS CA . 16071 1 62 . 1 1 17 17 LYS CB C 13 32.316 0.3 . 1 . . . . . 104 LYS CB . 16071 1 63 . 1 1 17 17 LYS N N 15 124.531 0.3 . 1 . . . . . 104 LYS N . 16071 1 64 . 1 1 18 18 PRO C C 13 176.864 0.3 . 1 . . . . . 105 PRO C . 16071 1 65 . 1 1 18 18 PRO CA C 13 62.598 0.3 . 1 . . . . . 105 PRO CA . 16071 1 66 . 1 1 18 18 PRO CB C 13 31.724 0.3 . 1 . . . . . 105 PRO CB . 16071 1 67 . 1 1 19 19 LYS H H 1 8.583 0.020 . 1 . . . . . 106 LYS H . 16071 1 68 . 1 1 19 19 LYS C C 13 176.864 0.3 . 1 . . . . . 106 LYS C . 16071 1 69 . 1 1 19 19 LYS CA C 13 55.899 0.3 . 1 . . . . . 106 LYS CA . 16071 1 70 . 1 1 19 19 LYS CB C 13 32.448 0.3 . 1 . . . . . 106 LYS CB . 16071 1 71 . 1 1 19 19 LYS N N 15 122.438 0.3 . 1 . . . . . 106 LYS N . 16071 1 72 . 1 1 20 20 THR H H 1 8.198 0.020 . 1 . . . . . 107 THR H . 16071 1 73 . 1 1 20 20 THR C C 13 173.904 0.3 . 1 . . . . . 107 THR C . 16071 1 74 . 1 1 20 20 THR CA C 13 61.176 0.3 . 1 . . . . . 107 THR CA . 16071 1 75 . 1 1 20 20 THR CB C 13 69.280 0.3 . 1 . . . . . 107 THR CB . 16071 1 76 . 1 1 20 20 THR N N 15 115.678 0.3 . 1 . . . . . 107 THR N . 16071 1 77 . 1 1 21 21 ASN C C 13 175.013 0.3 . 1 . . . . . 108 ASN C . 16071 1 78 . 1 1 21 21 ASN CA C 13 52.248 0.3 . 1 . . . . . 108 ASN CA . 16071 1 79 . 1 1 21 21 ASN CB C 13 38.392 0.3 . 1 . . . . . 108 ASN CB . 16071 1 80 . 1 1 22 22 LEU H H 1 8.290 0.020 . 1 . . . . . 109 LEU H . 16071 1 81 . 1 1 22 22 LEU C C 13 177.245 0.3 . 1 . . . . . 109 LEU C . 16071 1 82 . 1 1 22 22 LEU CA C 13 54.806 0.3 . 1 . . . . . 109 LEU CA . 16071 1 83 . 1 1 22 22 LEU CB C 13 41.885 0.3 . 1 . . . . . 109 LEU CB . 16071 1 84 . 1 1 22 22 LEU N N 15 123.328 0.3 . 1 . . . . . 109 LEU N . 16071 1 85 . 1 1 23 23 LYS H H 1 8.312 0.020 . 1 . . . . . 110 LYS H . 16071 1 86 . 1 1 23 23 LYS C C 13 176.228 0.3 . 1 . . . . . 110 LYS C . 16071 1 87 . 1 1 23 23 LYS CA C 13 55.905 0.3 . 1 . . . . . 110 LYS CA . 16071 1 88 . 1 1 23 23 LYS CB C 13 32.546 0.3 . 1 . . . . . 110 LYS CB . 16071 1 89 . 1 1 23 23 LYS N N 15 122.041 0.3 . 1 . . . . . 110 LYS N . 16071 1 90 . 1 1 24 24 HIS H H 1 8.276 0.020 . 1 . . . . . 111 HIS H . 16071 1 91 . 1 1 24 24 HIS C C 13 175.380 0.3 . 1 . . . . . 111 HIS C . 16071 1 92 . 1 1 24 24 HIS CA C 13 55.751 0.3 . 1 . . . . . 111 HIS CA . 16071 1 93 . 1 1 24 24 HIS CB C 13 30.754 0.3 . 1 . . . . . 111 HIS CB . 16071 1 94 . 1 1 24 24 HIS N N 15 121.561 0.3 . 1 . . . . . 111 HIS N . 16071 1 95 . 1 1 25 25 VAL H H 1 8.032 0.020 . 1 . . . . . 112 VAL H . 16071 1 96 . 1 1 25 25 VAL C C 13 175.558 0.3 . 1 . . . . . 112 VAL C . 16071 1 97 . 1 1 25 25 VAL CA C 13 61.545 0.3 . 1 . . . . . 112 VAL CA . 16071 1 98 . 1 1 25 25 VAL CB C 13 32.433 0.3 . 1 . . . . . 112 VAL CB . 16071 1 99 . 1 1 25 25 VAL N N 15 123.056 0.3 . 1 . . . . . 112 VAL N . 16071 1 100 . 1 1 26 26 ALA H H 1 8.459 0.020 . 1 . . . . . 113 ALA H . 16071 1 101 . 1 1 26 26 ALA C C 13 178.234 0.3 . 1 . . . . . 113 ALA C . 16071 1 102 . 1 1 26 26 ALA CA C 13 52.238 0.3 . 1 . . . . . 113 ALA CA . 16071 1 103 . 1 1 26 26 ALA CB C 13 18.872 0.3 . 1 . . . . . 113 ALA CB . 16071 1 104 . 1 1 26 26 ALA N N 15 128.384 0.3 . 1 . . . . . 113 ALA N . 16071 1 105 . 1 1 27 27 GLY H H 1 8.419 0.020 . 1 . . . . . 114 GLY H . 16071 1 106 . 1 1 27 27 GLY C C 13 173.998 0.3 . 1 . . . . . 114 GLY C . 16071 1 107 . 1 1 27 27 GLY CA C 13 44.739 0.3 . 1 . . . . . 114 GLY CA . 16071 1 108 . 1 1 27 27 GLY N N 15 108.976 0.3 . 1 . . . . . 114 GLY N . 16071 1 109 . 1 1 28 28 ALA H H 1 8.169 0.020 . 1 . . . . . 115 ALA H . 16071 1 110 . 1 1 28 28 ALA C C 13 177.726 0.3 . 1 . . . . . 115 ALA C . 16071 1 111 . 1 1 28 28 ALA CA C 13 52.116 0.3 . 1 . . . . . 115 ALA CA . 16071 1 112 . 1 1 28 28 ALA CB C 13 19.119 0.3 . 1 . . . . . 115 ALA CB . 16071 1 113 . 1 1 28 28 ALA N N 15 124.115 0.3 . 1 . . . . . 115 ALA N . 16071 1 114 . 1 1 29 29 ALA H H 1 8.327 0.020 . 1 . . . . . 116 ALA H . 16071 1 115 . 1 1 29 29 ALA C C 13 177.664 0.3 . 1 . . . . . 116 ALA C . 16071 1 116 . 1 1 29 29 ALA CA C 13 52.030 0.3 . 1 . . . . . 116 ALA CA . 16071 1 117 . 1 1 29 29 ALA CB C 13 18.870 0.3 . 1 . . . . . 116 ALA CB . 16071 1 118 . 1 1 29 29 ALA N N 15 123.442 0.3 . 1 . . . . . 116 ALA N . 16071 1 119 . 1 1 30 30 ALA H H 1 8.237 0.020 . 1 . . . . . 117 ALA H . 16071 1 120 . 1 1 30 30 ALA C C 13 177.613 0.3 . 1 . . . . . 117 ALA C . 16071 1 121 . 1 1 30 30 ALA CA C 13 52.069 0.3 . 1 . . . . . 117 ALA CA . 16071 1 122 . 1 1 30 30 ALA CB C 13 18.870 0.3 . 1 . . . . . 117 ALA CB . 16071 1 123 . 1 1 30 30 ALA N N 15 123.582 0.3 . 1 . . . . . 117 ALA N . 16071 1 124 . 1 1 31 31 ALA H H 1 8.261 0.020 . 1 . . . . . 118 ALA H . 16071 1 125 . 1 1 31 31 ALA C C 13 178.272 0.3 . 1 . . . . . 118 ALA C . 16071 1 126 . 1 1 31 31 ALA CA C 13 52.266 0.3 . 1 . . . . . 118 ALA CA . 16071 1 127 . 1 1 31 31 ALA CB C 13 18.887 0.3 . 1 . . . . . 118 ALA CB . 16071 1 128 . 1 1 31 31 ALA N N 15 123.565 0.3 . 1 . . . . . 118 ALA N . 16071 1 129 . 1 1 32 32 GLY H H 1 8.322 0.020 . 1 . . . . . 119 GLY H . 16071 1 130 . 1 1 32 32 GLY C C 13 173.706 0.3 . 1 . . . . . 119 GLY C . 16071 1 131 . 1 1 32 32 GLY CA C 13 44.742 0.3 . 1 . . . . . 119 GLY CA . 16071 1 132 . 1 1 32 32 GLY N N 15 108.224 0.3 . 1 . . . . . 119 GLY N . 16071 1 133 . 1 1 33 33 ALA H H 1 8.101 0.020 . 1 . . . . . 120 ALA H . 16071 1 134 . 1 1 33 33 ALA C C 13 177.613 0.3 . 1 . . . . . 120 ALA C . 16071 1 135 . 1 1 33 33 ALA CA C 13 51.893 0.3 . 1 . . . . . 120 ALA CA . 16071 1 136 . 1 1 33 33 ALA CB C 13 19.152 0.3 . 1 . . . . . 120 ALA CB . 16071 1 137 . 1 1 33 33 ALA N N 15 123.832 0.3 . 1 . . . . . 120 ALA N . 16071 1 138 . 1 1 34 34 VAL H H 1 8.166 0.020 . 1 . . . . . 121 VAL H . 16071 1 139 . 1 1 34 34 VAL C C 13 176.395 0.3 . 1 . . . . . 121 VAL C . 16071 1 140 . 1 1 34 34 VAL CA C 13 61.707 0.3 . 1 . . . . . 121 VAL CA . 16071 1 141 . 1 1 34 34 VAL CB C 13 32.414 0.3 . 1 . . . . . 121 VAL CB . 16071 1 142 . 1 1 34 34 VAL N N 15 119.892 0.3 . 1 . . . . . 121 VAL N . 16071 1 143 . 1 1 35 35 VAL H H 1 8.320 0.020 . 1 . . . . . 122 VAL H . 16071 1 144 . 1 1 35 35 VAL C C 13 176.675 0.3 . 1 . . . . . 122 VAL C . 16071 1 145 . 1 1 35 35 VAL CA C 13 62.057 0.3 . 1 . . . . . 122 VAL CA . 16071 1 146 . 1 1 35 35 VAL CB C 13 32.174 0.3 . 1 . . . . . 122 VAL CB . 16071 1 147 . 1 1 35 35 VAL N N 15 125.041 0.3 . 1 . . . . . 122 VAL N . 16071 1 148 . 1 1 36 36 GLY H H 1 8.611 0.020 . 1 . . . . . 123 GLY H . 16071 1 149 . 1 1 36 36 GLY C C 13 174.708 0.3 . 1 . . . . . 123 GLY C . 16071 1 150 . 1 1 36 36 GLY CA C 13 44.933 0.3 . 1 . . . . . 123 GLY CA . 16071 1 151 . 1 1 36 36 GLY N N 15 113.686 0.3 . 1 . . . . . 123 GLY N . 16071 1 152 . 1 1 37 37 GLY H H 1 8.310 0.020 . 1 . . . . . 124 GLY H . 16071 1 153 . 1 1 37 37 GLY C C 13 174.382 0.3 . 1 . . . . . 124 GLY C . 16071 1 154 . 1 1 37 37 GLY CA C 13 44.910 0.3 . 1 . . . . . 124 GLY CA . 16071 1 155 . 1 1 37 37 GLY N N 15 108.739 0.3 . 1 . . . . . 124 GLY N . 16071 1 156 . 1 1 38 38 LEU H H 1 8.244 0.020 . 1 . . . . . 125 LEU H . 16071 1 157 . 1 1 38 38 LEU C C 13 177.983 0.3 . 1 . . . . . 125 LEU C . 16071 1 158 . 1 1 38 38 LEU CA C 13 54.418 0.3 . 1 . . . . . 125 LEU CA . 16071 1 159 . 1 1 38 38 LEU CB C 13 42.013 0.3 . 1 . . . . . 125 LEU CB . 16071 1 160 . 1 1 38 38 LEU N N 15 122.033 0.3 . 1 . . . . . 125 LEU N . 16071 1 161 . 1 1 39 39 GLY H H 1 8.586 0.020 . 1 . . . . . 126 GLY H . 16071 1 162 . 1 1 39 39 GLY C C 13 174.848 0.3 . 1 . . . . . 126 GLY C . 16071 1 163 . 1 1 39 39 GLY CA C 13 45.888 0.3 . 1 . . . . . 126 GLY CA . 16071 1 164 . 1 1 39 39 GLY N N 15 110.233 0.3 . 1 . . . . . 126 GLY N . 16071 1 165 . 1 1 40 40 GLY H H 1 8.414 0.020 . 1 . . . . . 127 GLY H . 16071 1 166 . 1 1 40 40 GLY C C 13 173.960 0.3 . 1 . . . . . 127 GLY C . 16071 1 167 . 1 1 40 40 GLY CA C 13 44.742 0.3 . 1 . . . . . 127 GLY CA . 16071 1 168 . 1 1 40 40 GLY N N 15 109.553 0.3 . 1 . . . . . 127 GLY N . 16071 1 169 . 1 1 41 41 TYR H H 1 7.871 0.020 . 1 . . . . . 128 TYR H . 16071 1 170 . 1 1 41 41 TYR C C 13 175.736 0.3 . 1 . . . . . 128 TYR C . 16071 1 171 . 1 1 41 41 TYR CA C 13 57.919 0.3 . 1 . . . . . 128 TYR CA . 16071 1 172 . 1 1 41 41 TYR CB C 13 39.777 0.3 . 1 . . . . . 128 TYR CB . 16071 1 173 . 1 1 41 41 TYR N N 15 118.254 0.3 . 1 . . . . . 128 TYR N . 16071 1 174 . 1 1 42 42 MET H H 1 9.138 0.020 . 1 . . . . . 129 MET H . 16071 1 175 . 1 1 42 42 MET C C 13 172.943 0.3 . 1 . . . . . 129 MET C . 16071 1 176 . 1 1 42 42 MET CA C 13 53.209 0.3 . 1 . . . . . 129 MET CA . 16071 1 177 . 1 1 42 42 MET CB C 13 33.962 0.3 . 1 . . . . . 129 MET CB . 16071 1 178 . 1 1 42 42 MET N N 15 121.730 0.3 . 1 . . . . . 129 MET N . 16071 1 179 . 1 1 43 43 LEU H H 1 8.066 0.020 . 1 . . . . . 130 LEU H . 16071 1 180 . 1 1 43 43 LEU C C 13 178.225 0.3 . 1 . . . . . 130 LEU C . 16071 1 181 . 1 1 43 43 LEU CA C 13 52.795 0.3 . 1 . . . . . 130 LEU CA . 16071 1 182 . 1 1 43 43 LEU CB C 13 43.407 0.3 . 1 . . . . . 130 LEU CB . 16071 1 183 . 1 1 43 43 LEU N N 15 121.434 0.3 . 1 . . . . . 130 LEU N . 16071 1 184 . 1 1 44 44 GLY H H 1 9.439 0.020 . 1 . . . . . 131 GLY H . 16071 1 185 . 1 1 44 44 GLY C C 13 172.828 0.3 . 1 . . . . . 131 GLY C . 16071 1 186 . 1 1 44 44 GLY CA C 13 44.487 0.3 . 1 . . . . . 131 GLY CA . 16071 1 187 . 1 1 44 44 GLY N N 15 115.484 0.3 . 1 . . . . . 131 GLY N . 16071 1 188 . 1 1 45 45 SER H H 1 8.347 0.020 . 1 . . . . . 132 SER H . 16071 1 189 . 1 1 45 45 SER C C 13 174.968 0.3 . 1 . . . . . 132 SER C . 16071 1 190 . 1 1 45 45 SER CA C 13 58.142 0.3 . 1 . . . . . 132 SER CA . 16071 1 191 . 1 1 45 45 SER CB C 13 63.456 0.3 . 1 . . . . . 132 SER CB . 16071 1 192 . 1 1 45 45 SER N N 15 114.006 0.3 . 1 . . . . . 132 SER N . 16071 1 193 . 1 1 46 46 ALA H H 1 8.756 0.020 . 1 . . . . . 133 ALA H . 16071 1 194 . 1 1 46 46 ALA C C 13 177.539 0.3 . 1 . . . . . 133 ALA C . 16071 1 195 . 1 1 46 46 ALA CA C 13 52.510 0.3 . 1 . . . . . 133 ALA CA . 16071 1 196 . 1 1 46 46 ALA CB C 13 18.028 0.3 . 1 . . . . . 133 ALA CB . 16071 1 197 . 1 1 46 46 ALA N N 15 125.806 0.3 . 1 . . . . . 133 ALA N . 16071 1 198 . 1 1 47 47 MET H H 1 8.805 0.020 . 1 . . . . . 134 MET H . 16071 1 199 . 1 1 47 47 MET C C 13 175.646 0.3 . 1 . . . . . 134 MET C . 16071 1 200 . 1 1 47 47 MET CA C 13 53.463 0.3 . 1 . . . . . 134 MET CA . 16071 1 201 . 1 1 47 47 MET CB C 13 36.369 0.3 . 1 . . . . . 134 MET CB . 16071 1 202 . 1 1 47 47 MET N N 15 121.601 0.3 . 1 . . . . . 134 MET N . 16071 1 203 . 1 1 48 48 SER H H 1 8.470 0.020 . 1 . . . . . 135 SER H . 16071 1 204 . 1 1 48 48 SER C C 13 174.431 0.3 . 1 . . . . . 135 SER C . 16071 1 205 . 1 1 48 48 SER CA C 13 58.174 0.3 . 1 . . . . . 135 SER CA . 16071 1 206 . 1 1 48 48 SER CB C 13 62.692 0.3 . 1 . . . . . 135 SER CB . 16071 1 207 . 1 1 48 48 SER N N 15 116.486 0.3 . 1 . . . . . 135 SER N . 16071 1 208 . 1 1 49 49 ARG H H 1 8.704 0.020 . 1 . . . . . 136 ARG H . 16071 1 209 . 1 1 49 49 ARG C C 13 174.653 0.3 . 1 . . . . . 136 ARG C . 16071 1 210 . 1 1 49 49 ARG CA C 13 54.354 0.3 . 1 . . . . . 136 ARG CA . 16071 1 211 . 1 1 49 49 ARG CB C 13 29.260 0.3 . 1 . . . . . 136 ARG CB . 16071 1 212 . 1 1 49 49 ARG N N 15 127.082 0.3 . 1 . . . . . 136 ARG N . 16071 1 213 . 1 1 50 50 PRO C C 13 175.696 0.3 . 1 . . . . . 137 PRO C . 16071 1 214 . 1 1 50 50 PRO CA C 13 61.903 0.3 . 1 . . . . . 137 PRO CA . 16071 1 215 . 1 1 50 50 PRO CB C 13 32.139 0.3 . 1 . . . . . 137 PRO CB . 16071 1 216 . 1 1 51 51 MET H H 1 8.719 0.020 . 1 . . . . . 138 MET H . 16071 1 217 . 1 1 51 51 MET C C 13 175.034 0.3 . 1 . . . . . 138 MET C . 16071 1 218 . 1 1 51 51 MET CA C 13 53.686 0.3 . 1 . . . . . 138 MET CA . 16071 1 219 . 1 1 51 51 MET CB C 13 30.031 0.3 . 1 . . . . . 138 MET CB . 16071 1 220 . 1 1 51 51 MET N N 15 122.170 0.3 . 1 . . . . . 138 MET N . 16071 1 221 . 1 1 52 52 ILE H H 1 6.584 0.020 . 1 . . . . . 139 ILE H . 16071 1 222 . 1 1 52 52 ILE C C 13 173.116 0.3 . 1 . . . . . 139 ILE C . 16071 1 223 . 1 1 52 52 ILE CA C 13 58.683 0.3 . 1 . . . . . 139 ILE CA . 16071 1 224 . 1 1 52 52 ILE CB C 13 38.503 0.3 . 1 . . . . . 139 ILE CB . 16071 1 225 . 1 1 52 52 ILE N N 15 124.643 0.3 . 1 . . . . . 139 ILE N . 16071 1 226 . 1 1 53 53 HIS H H 1 8.108 0.020 . 1 . . . . . 140 HIS H . 16071 1 227 . 1 1 53 53 HIS C C 13 175.423 0.3 . 1 . . . . . 140 HIS C . 16071 1 228 . 1 1 53 53 HIS CA C 13 54.418 0.3 . 1 . . . . . 140 HIS CA . 16071 1 229 . 1 1 53 53 HIS CB C 13 30.462 0.3 . 1 . . . . . 140 HIS CB . 16071 1 230 . 1 1 53 53 HIS N N 15 123.378 0.3 . 1 . . . . . 140 HIS N . 16071 1 231 . 1 1 54 54 PHE H H 1 10.382 0.020 . 1 . . . . . 141 PHE H . 16071 1 232 . 1 1 54 54 PHE C C 13 177.167 0.3 . 1 . . . . . 141 PHE C . 16071 1 233 . 1 1 54 54 PHE CA C 13 59.145 0.3 . 1 . . . . . 141 PHE CA . 16071 1 234 . 1 1 54 54 PHE CB C 13 40.454 0.3 . 1 . . . . . 141 PHE CB . 16071 1 235 . 1 1 54 54 PHE N N 15 125.431 0.3 . 1 . . . . . 141 PHE N . 16071 1 236 . 1 1 55 55 GLY H H 1 8.933 0.020 . 1 . . . . . 142 GLY H . 16071 1 237 . 1 1 55 55 GLY C C 13 173.298 0.3 . 1 . . . . . 142 GLY C . 16071 1 238 . 1 1 55 55 GLY CA C 13 45.251 0.3 . 1 . . . . . 142 GLY CA . 16071 1 239 . 1 1 55 55 GLY N N 15 109.360 0.3 . 1 . . . . . 142 GLY N . 16071 1 240 . 1 1 56 56 ASN H H 1 7.254 0.020 . 1 . . . . . 143 ASN H . 16071 1 241 . 1 1 56 56 ASN C C 13 174.323 0.3 . 1 . . . . . 143 ASN C . 16071 1 242 . 1 1 56 56 ASN CA C 13 52.063 0.3 . 1 . . . . . 143 ASN CA . 16071 1 243 . 1 1 56 56 ASN CB C 13 41.250 0.3 . 1 . . . . . 143 ASN CB . 16071 1 244 . 1 1 56 56 ASN N N 15 114.524 0.3 . 1 . . . . . 143 ASN N . 16071 1 245 . 1 1 57 57 ASP H H 1 9.030 0.020 . 1 . . . . . 144 ASP H . 16071 1 246 . 1 1 57 57 ASP C C 13 177.895 0.3 . 1 . . . . . 144 ASP C . 16071 1 247 . 1 1 57 57 ASP CA C 13 57.442 0.3 . 1 . . . . . 144 ASP CA . 16071 1 248 . 1 1 57 57 ASP CB C 13 40.640 0.3 . 1 . . . . . 144 ASP CB . 16071 1 249 . 1 1 57 57 ASP N N 15 123.558 0.3 . 1 . . . . . 144 ASP N . 16071 1 250 . 1 1 58 58 TRP H H 1 8.561 0.020 . 1 . . . . . 145 TRP H . 16071 1 251 . 1 1 58 58 TRP C C 13 179.171 0.3 . 1 . . . . . 145 TRP C . 16071 1 252 . 1 1 58 58 TRP CA C 13 61.452 0.3 . 1 . . . . . 145 TRP CA . 16071 1 253 . 1 1 58 58 TRP CB C 13 28.202 0.3 . 1 . . . . . 145 TRP CB . 16071 1 254 . 1 1 58 58 TRP N N 15 120.539 0.3 . 1 . . . . . 145 TRP N . 16071 1 255 . 1 1 59 59 GLU H H 1 8.132 0.020 . 1 . . . . . 146 GLU H . 16071 1 256 . 1 1 59 59 GLU C C 13 177.714 0.3 . 1 . . . . . 146 GLU C . 16071 1 257 . 1 1 59 59 GLU CA C 13 59.563 0.3 . 1 . . . . . 146 GLU CA . 16071 1 258 . 1 1 59 59 GLU CB C 13 29.307 0.3 . 1 . . . . . 146 GLU CB . 16071 1 259 . 1 1 59 59 GLU N N 15 120.760 0.3 . 1 . . . . . 146 GLU N . 16071 1 260 . 1 1 60 60 ASP H H 1 7.921 0.020 . 1 . . . . . 147 ASP H . 16071 1 261 . 1 1 60 60 ASP C C 13 179.079 0.3 . 1 . . . . . 147 ASP C . 16071 1 262 . 1 1 60 60 ASP CA C 13 58.142 0.3 . 1 . . . . . 147 ASP CA . 16071 1 263 . 1 1 60 60 ASP CB C 13 40.349 0.3 . 1 . . . . . 147 ASP CB . 16071 1 264 . 1 1 60 60 ASP N N 15 119.045 0.3 . 1 . . . . . 147 ASP N . 16071 1 265 . 1 1 61 61 ARG H H 1 8.031 0.020 . 1 . . . . . 148 ARG H . 16071 1 266 . 1 1 61 61 ARG C C 13 177.615 0.3 . 1 . . . . . 148 ARG C . 16071 1 267 . 1 1 61 61 ARG CA C 13 59.320 0.3 . 1 . . . . . 148 ARG CA . 16071 1 268 . 1 1 61 61 ARG CB C 13 29.403 0.3 . 1 . . . . . 148 ARG CB . 16071 1 269 . 1 1 61 61 ARG N N 15 119.929 0.3 . 1 . . . . . 148 ARG N . 16071 1 270 . 1 1 62 62 TYR H H 1 8.262 0.020 . 1 . . . . . 149 TYR H . 16071 1 271 . 1 1 62 62 TYR C C 13 179.585 0.3 . 1 . . . . . 149 TYR C . 16071 1 272 . 1 1 62 62 TYR CA C 13 61.739 0.3 . 1 . . . . . 149 TYR CA . 16071 1 273 . 1 1 62 62 TYR CB C 13 37.850 0.3 . 1 . . . . . 149 TYR CB . 16071 1 274 . 1 1 62 62 TYR N N 15 121.052 0.3 . 1 . . . . . 149 TYR N . 16071 1 275 . 1 1 63 63 TYR H H 1 9.034 0.020 . 1 . . . . . 150 TYR H . 16071 1 276 . 1 1 63 63 TYR C C 13 177.055 0.3 . 1 . . . . . 150 TYR C . 16071 1 277 . 1 1 63 63 TYR CA C 13 62.630 0.3 . 1 . . . . . 150 TYR CA . 16071 1 278 . 1 1 63 63 TYR CB C 13 38.013 0.3 . 1 . . . . . 150 TYR CB . 16071 1 279 . 1 1 63 63 TYR N N 15 120.771 0.3 . 1 . . . . . 150 TYR N . 16071 1 280 . 1 1 64 64 ARG H H 1 7.888 0.020 . 1 . . . . . 151 ARG H . 16071 1 281 . 1 1 64 64 ARG C C 13 179.123 0.3 . 1 . . . . . 151 ARG C . 16071 1 282 . 1 1 64 64 ARG CA C 13 59.587 0.3 . 1 . . . . . 151 ARG CA . 16071 1 283 . 1 1 64 64 ARG CB C 13 29.365 0.3 . 1 . . . . . 151 ARG CB . 16071 1 284 . 1 1 64 64 ARG N N 15 117.514 0.3 . 1 . . . . . 151 ARG N . 16071 1 285 . 1 1 65 65 GLU H H 1 7.925 0.020 . 1 . . . . . 152 GLU H . 16071 1 286 . 1 1 65 65 GLU C C 13 177.613 0.3 . 1 . . . . . 152 GLU C . 16071 1 287 . 1 1 65 65 GLU CA C 13 57.410 0.3 . 1 . . . . . 152 GLU CA . 16071 1 288 . 1 1 65 65 GLU CB C 13 29.888 0.3 . 1 . . . . . 152 GLU CB . 16071 1 289 . 1 1 65 65 GLU N N 15 116.104 0.3 . 1 . . . . . 152 GLU N . 16071 1 290 . 1 1 66 66 ASN H H 1 7.562 0.020 . 1 . . . . . 153 ASN H . 16071 1 291 . 1 1 66 66 ASN C C 13 175.482 0.3 . 1 . . . . . 153 ASN C . 16071 1 292 . 1 1 66 66 ASN CA C 13 54.467 0.3 . 1 . . . . . 153 ASN CA . 16071 1 293 . 1 1 66 66 ASN CB C 13 40.812 0.3 . 1 . . . . . 153 ASN CB . 16071 1 294 . 1 1 66 66 ASN N N 15 115.400 0.3 . 1 . . . . . 153 ASN N . 16071 1 295 . 1 1 67 67 MET H H 1 7.895 0.020 . 1 . . . . . 154 MET H . 16071 1 296 . 1 1 67 67 MET C C 13 176.382 0.3 . 1 . . . . . 154 MET C . 16071 1 297 . 1 1 67 67 MET CA C 13 58.747 0.3 . 1 . . . . . 154 MET CA . 16071 1 298 . 1 1 67 67 MET N N 15 118.641 0.3 . 1 . . . . . 154 MET N . 16071 1 299 . 1 1 68 68 TYR H H 1 7.597 0.020 . 1 . . . . . 155 TYR H . 16071 1 300 . 1 1 68 68 TYR C C 13 175.926 0.3 . 1 . . . . . 155 TYR C . 16071 1 301 . 1 1 68 68 TYR CA C 13 58.805 0.3 . 1 . . . . . 155 TYR CA . 16071 1 302 . 1 1 68 68 TYR CB C 13 35.559 0.3 . 1 . . . . . 155 TYR CB . 16071 1 303 . 1 1 68 68 TYR N N 15 116.831 0.3 . 1 . . . . . 155 TYR N . 16071 1 304 . 1 1 69 69 ARG H H 1 7.519 0.020 . 1 . . . . . 156 ARG H . 16071 1 305 . 1 1 69 69 ARG C C 13 176.776 0.3 . 1 . . . . . 156 ARG C . 16071 1 306 . 1 1 69 69 ARG CA C 13 55.882 0.3 . 1 . . . . . 156 ARG CA . 16071 1 307 . 1 1 69 69 ARG CB C 13 30.368 0.3 . 1 . . . . . 156 ARG CB . 16071 1 308 . 1 1 69 69 ARG N N 15 119.184 0.3 . 1 . . . . . 156 ARG N . 16071 1 309 . 1 1 70 70 TYR H H 1 7.460 0.020 . 1 . . . . . 157 TYR H . 16071 1 310 . 1 1 70 70 TYR C C 13 172.801 0.3 . 1 . . . . . 157 TYR C . 16071 1 311 . 1 1 70 70 TYR CA C 13 52.254 0.3 . 1 . . . . . 157 TYR CA . 16071 1 312 . 1 1 70 70 TYR CB C 13 34.306 0.3 . 1 . . . . . 157 TYR CB . 16071 1 313 . 1 1 70 70 TYR N N 15 121.708 0.3 . 1 . . . . . 157 TYR N . 16071 1 314 . 1 1 71 71 PRO C C 13 175.089 0.3 . 1 . . . . . 158 PRO C . 16071 1 315 . 1 1 71 71 PRO CA C 13 63.108 0.3 . 1 . . . . . 158 PRO CA . 16071 1 316 . 1 1 71 71 PRO CB C 13 31.842 0.3 . 1 . . . . . 158 PRO CB . 16071 1 317 . 1 1 72 72 ASN H H 1 8.645 0.020 . 1 . . . . . 159 ASN H . 16071 1 318 . 1 1 72 72 ASN C C 13 172.843 0.3 . 1 . . . . . 159 ASN C . 16071 1 319 . 1 1 72 72 ASN CA C 13 51.556 0.3 . 1 . . . . . 159 ASN CA . 16071 1 320 . 1 1 72 72 ASN CB C 13 38.056 0.3 . 1 . . . . . 159 ASN CB . 16071 1 321 . 1 1 72 72 ASN N N 15 116.465 0.3 . 1 . . . . . 159 ASN N . 16071 1 322 . 1 1 73 73 GLN H H 1 7.296 0.020 . 1 . . . . . 160 GLN H . 16071 1 323 . 1 1 73 73 GLN C C 13 174.987 0.3 . 1 . . . . . 160 GLN C . 16071 1 324 . 1 1 73 73 GLN CA C 13 53.686 0.3 . 1 . . . . . 160 GLN CA . 16071 1 325 . 1 1 73 73 GLN CB C 13 32.967 0.3 . 1 . . . . . 160 GLN CB . 16071 1 326 . 1 1 73 73 GLN N N 15 114.512 0.3 . 1 . . . . . 160 GLN N . 16071 1 327 . 1 1 74 74 VAL H H 1 8.476 0.020 . 1 . . . . . 161 VAL H . 16071 1 328 . 1 1 74 74 VAL C C 13 174.112 0.3 . 1 . . . . . 161 VAL C . 16071 1 329 . 1 1 74 74 VAL CA C 13 58.179 0.3 . 1 . . . . . 161 VAL CA . 16071 1 330 . 1 1 74 74 VAL CB C 13 33.235 0.3 . 1 . . . . . 161 VAL CB . 16071 1 331 . 1 1 74 74 VAL N N 15 112.994 0.3 . 1 . . . . . 161 VAL N . 16071 1 332 . 1 1 75 75 TYR H H 1 8.483 0.020 . 1 . . . . . 162 TYR H . 16071 1 333 . 1 1 75 75 TYR C C 13 174.708 0.3 . 1 . . . . . 162 TYR C . 16071 1 334 . 1 1 75 75 TYR CA C 13 56.630 0.3 . 1 . . . . . 162 TYR CA . 16071 1 335 . 1 1 75 75 TYR CB C 13 41.752 0.3 . 1 . . . . . 162 TYR CB . 16071 1 336 . 1 1 75 75 TYR N N 15 121.837 0.3 . 1 . . . . . 162 TYR N . 16071 1 337 . 1 1 76 76 TYR H H 1 8.520 0.020 . 1 . . . . . 163 TYR H . 16071 1 338 . 1 1 76 76 TYR C C 13 173.579 0.3 . 1 . . . . . 163 TYR C . 16071 1 339 . 1 1 76 76 TYR CA C 13 55.556 0.3 . 1 . . . . . 163 TYR CA . 16071 1 340 . 1 1 76 76 TYR N N 15 111.224 0.3 . 1 . . . . . 163 TYR N . 16071 1 341 . 1 1 77 77 ARG H H 1 7.943 0.020 . 1 . . . . . 164 ARG H . 16071 1 342 . 1 1 77 77 ARG C C 13 178.159 0.3 . 1 . . . . . 164 ARG C . 16071 1 343 . 1 1 77 77 ARG CA C 13 53.038 0.3 . 1 . . . . . 164 ARG CA . 16071 1 344 . 1 1 77 77 ARG N N 15 120.875 0.3 . 1 . . . . . 164 ARG N . 16071 1 345 . 1 1 83 83 SER CA C 13 58.410 0.3 . 1 . . . . . 170 SER CA . 16071 1 346 . 1 1 83 83 SER CB C 13 63.710 0.3 . 1 . . . . . 170 SER CB . 16071 1 347 . 1 1 84 84 ASN C C 13 174.010 0.3 . 1 . . . . . 171 ASN C . 16071 1 348 . 1 1 84 84 ASN CA C 13 51.783 0.3 . 1 . . . . . 171 ASN CA . 16071 1 349 . 1 1 84 84 ASN CB C 13 40.731 0.3 . 1 . . . . . 171 ASN CB . 16071 1 350 . 1 1 85 85 GLN H H 1 8.666 0.020 . 1 . . . . . 172 GLN H . 16071 1 351 . 1 1 85 85 GLN C C 13 176.890 0.3 . 1 . . . . . 172 GLN C . 16071 1 352 . 1 1 85 85 GLN CA C 13 58.620 0.3 . 1 . . . . . 172 GLN CA . 16071 1 353 . 1 1 85 85 GLN N N 15 120.218 0.3 . 1 . . . . . 172 GLN N . 16071 1 354 . 1 1 86 86 ASN H H 1 8.424 0.020 . 1 . . . . . 173 ASN H . 16071 1 355 . 1 1 86 86 ASN C C 13 177.714 0.3 . 1 . . . . . 173 ASN C . 16071 1 356 . 1 1 86 86 ASN CA C 13 56.041 0.3 . 1 . . . . . 173 ASN CA . 16071 1 357 . 1 1 86 86 ASN CB C 13 37.211 0.3 . 1 . . . . . 173 ASN CB . 16071 1 358 . 1 1 86 86 ASN N N 15 117.362 0.3 . 1 . . . . . 173 ASN N . 16071 1 359 . 1 1 87 87 ASN H H 1 8.588 0.020 . 1 . . . . . 174 ASN H . 16071 1 360 . 1 1 87 87 ASN C C 13 177.358 0.3 . 1 . . . . . 174 ASN C . 16071 1 361 . 1 1 87 87 ASN CA C 13 55.659 0.3 . 1 . . . . . 174 ASN CA . 16071 1 362 . 1 1 87 87 ASN CB C 13 37.771 0.3 . 1 . . . . . 174 ASN CB . 16071 1 363 . 1 1 87 87 ASN N N 15 118.438 0.3 . 1 . . . . . 174 ASN N . 16071 1 364 . 1 1 88 88 PHE C C 13 177.499 0.3 . 1 . . . . . 175 PHE C . 16071 1 365 . 1 1 88 88 PHE CA C 13 60.370 0.3 . 1 . . . . . 175 PHE CA . 16071 1 366 . 1 1 89 89 VAL H H 1 8.891 0.020 . 1 . . . . . 176 VAL H . 16071 1 367 . 1 1 89 89 VAL C C 13 176.661 0.3 . 1 . . . . . 176 VAL C . 16071 1 368 . 1 1 89 89 VAL CA C 13 67.341 0.3 . 1 . . . . . 176 VAL CA . 16071 1 369 . 1 1 89 89 VAL CB C 13 31.819 0.3 . 1 . . . . . 176 VAL CB . 16071 1 370 . 1 1 89 89 VAL N N 15 120.641 0.3 . 1 . . . . . 176 VAL N . 16071 1 371 . 1 1 90 90 HIS H H 1 8.372 0.020 . 1 . . . . . 177 HIS H . 16071 1 372 . 1 1 90 90 HIS C C 13 177.726 0.3 . 1 . . . . . 177 HIS C . 16071 1 373 . 1 1 90 90 HIS CA C 13 59.574 0.3 . 1 . . . . . 177 HIS CA . 16071 1 374 . 1 1 90 90 HIS CB C 13 29.846 0.3 . 1 . . . . . 177 HIS CB . 16071 1 375 . 1 1 90 90 HIS N N 15 118.047 0.3 . 1 . . . . . 177 HIS N . 16071 1 376 . 1 1 91 91 ASP H H 1 7.427 0.020 . 1 . . . . . 178 ASP H . 16071 1 377 . 1 1 91 91 ASP C C 13 175.913 0.3 . 1 . . . . . 178 ASP C . 16071 1 378 . 1 1 91 91 ASP CA C 13 56.742 0.3 . 1 . . . . . 178 ASP CA . 16071 1 379 . 1 1 91 91 ASP CB C 13 41.200 0.3 . 1 . . . . . 178 ASP CB . 16071 1 380 . 1 1 91 91 ASP N N 15 118.269 0.3 . 1 . . . . . 178 ASP N . 16071 1 381 . 1 1 92 92 CYS H H 1 8.160 0.020 . 1 . . . . . 179 CYS H . 16071 1 382 . 1 1 92 92 CYS C C 13 177.524 0.3 . 1 . . . . . 179 CYS C . 16071 1 383 . 1 1 92 92 CYS CA C 13 58.200 0.3 . 1 . . . . . 179 CYS CA . 16071 1 384 . 1 1 92 92 CYS CB C 13 40.586 0.3 . 1 . . . . . 179 CYS CB . 16071 1 385 . 1 1 92 92 CYS N N 15 119.182 0.3 . 1 . . . . . 179 CYS N . 16071 1 386 . 1 1 93 93 VAL H H 1 9.310 0.020 . 1 . . . . . 180 VAL H . 16071 1 387 . 1 1 93 93 VAL C C 13 177.247 0.3 . 1 . . . . . 180 VAL C . 16071 1 388 . 1 1 93 93 VAL CA C 13 65.686 0.3 . 1 . . . . . 180 VAL CA . 16071 1 389 . 1 1 93 93 VAL CB C 13 31.577 0.3 . 1 . . . . . 180 VAL CB . 16071 1 390 . 1 1 93 93 VAL N N 15 125.192 0.3 . 1 . . . . . 180 VAL N . 16071 1 391 . 1 1 94 94 ASN H H 1 7.602 0.020 . 1 . . . . . 181 ASN H . 16071 1 392 . 1 1 94 94 ASN C C 13 178.510 0.3 . 1 . . . . . 181 ASN C . 16071 1 393 . 1 1 94 94 ASN CA C 13 56.296 0.3 . 1 . . . . . 181 ASN CA . 16071 1 394 . 1 1 94 94 ASN CB C 13 38.621 0.3 . 1 . . . . . 181 ASN CB . 16071 1 395 . 1 1 94 94 ASN N N 15 116.547 0.3 . 1 . . . . . 181 ASN N . 16071 1 396 . 1 1 95 95 ILE H H 1 8.805 0.020 . 1 . . . . . 182 ILE H . 16071 1 397 . 1 1 95 95 ILE C C 13 177.933 0.3 . 1 . . . . . 182 ILE C . 16071 1 398 . 1 1 95 95 ILE CA C 13 61.675 0.3 . 1 . . . . . 182 ILE CA . 16071 1 399 . 1 1 95 95 ILE CB C 13 36.224 0.3 . 1 . . . . . 182 ILE CB . 16071 1 400 . 1 1 95 95 ILE N N 15 119.200 0.3 . 1 . . . . . 182 ILE N . 16071 1 401 . 1 1 96 96 THR H H 1 8.168 0.020 . 1 . . . . . 183 THR H . 16071 1 402 . 1 1 96 96 THR C C 13 177.702 0.3 . 1 . . . . . 183 THR C . 16071 1 403 . 1 1 96 96 THR CA C 13 68.041 0.3 . 1 . . . . . 183 THR CA . 16071 1 404 . 1 1 96 96 THR CB C 13 67.710 0.3 . 1 . . . . . 183 THR CB . 16071 1 405 . 1 1 96 96 THR N N 15 118.293 0.3 . 1 . . . . . 183 THR N . 16071 1 406 . 1 1 97 97 ILE H H 1 8.477 0.020 . 1 . . . . . 184 ILE H . 16071 1 407 . 1 1 97 97 ILE C C 13 178.836 0.3 . 1 . . . . . 184 ILE C . 16071 1 408 . 1 1 97 97 ILE CA C 13 66.163 0.3 . 1 . . . . . 184 ILE CA . 16071 1 409 . 1 1 97 97 ILE CB C 13 36.440 0.3 . 1 . . . . . 184 ILE CB . 16071 1 410 . 1 1 97 97 ILE N N 15 121.320 0.3 . 1 . . . . . 184 ILE N . 16071 1 411 . 1 1 98 98 LYS H H 1 8.149 0.020 . 1 . . . . . 185 LYS H . 16071 1 412 . 1 1 98 98 LYS C C 13 179.059 0.3 . 1 . . . . . 185 LYS C . 16071 1 413 . 1 1 98 98 LYS CA C 13 59.765 0.3 . 1 . . . . . 185 LYS CA . 16071 1 414 . 1 1 98 98 LYS CB C 13 31.967 0.3 . 1 . . . . . 185 LYS CB . 16071 1 415 . 1 1 98 98 LYS N N 15 123.637 0.3 . 1 . . . . . 185 LYS N . 16071 1 416 . 1 1 99 99 GLN H H 1 8.556 0.020 . 1 . . . . . 186 GLN H . 16071 1 417 . 1 1 99 99 GLN C C 13 178.646 0.3 . 1 . . . . . 186 GLN C . 16071 1 418 . 1 1 99 99 GLN CA C 13 57.652 0.3 . 1 . . . . . 186 GLN CA . 16071 1 419 . 1 1 99 99 GLN CB C 13 27.689 0.3 . 1 . . . . . 186 GLN CB . 16071 1 420 . 1 1 99 99 GLN N N 15 117.383 0.3 . 1 . . . . . 186 GLN N . 16071 1 421 . 1 1 100 100 HIS H H 1 8.520 0.020 . 1 . . . . . 187 HIS H . 16071 1 422 . 1 1 100 100 HIS C C 13 178.737 0.3 . 1 . . . . . 187 HIS C . 16071 1 423 . 1 1 100 100 HIS CA C 13 59.415 0.3 . 1 . . . . . 187 HIS CA . 16071 1 424 . 1 1 100 100 HIS CB C 13 31.852 0.3 . 1 . . . . . 187 HIS CB . 16071 1 425 . 1 1 100 100 HIS N N 15 120.435 0.3 . 1 . . . . . 187 HIS N . 16071 1 426 . 1 1 101 101 THR H H 1 8.533 0.020 . 1 . . . . . 188 THR H . 16071 1 427 . 1 1 101 101 THR C C 13 176.495 0.3 . 1 . . . . . 188 THR C . 16071 1 428 . 1 1 101 101 THR CA C 13 66.386 0.3 . 1 . . . . . 188 THR CA . 16071 1 429 . 1 1 101 101 THR CB C 13 68.420 0.3 . 1 . . . . . 188 THR CB . 16071 1 430 . 1 1 101 101 THR N N 15 115.465 0.3 . 1 . . . . . 188 THR N . 16071 1 431 . 1 1 102 102 VAL H H 1 8.104 0.020 . 1 . . . . . 189 VAL H . 16071 1 432 . 1 1 102 102 VAL C C 13 178.553 0.3 . 1 . . . . . 189 VAL C . 16071 1 433 . 1 1 102 102 VAL CA C 13 65.909 0.3 . 1 . . . . . 189 VAL CA . 16071 1 434 . 1 1 102 102 VAL CB C 13 31.310 0.3 . 1 . . . . . 189 VAL CB . 16071 1 435 . 1 1 102 102 VAL N N 15 123.523 0.3 . 1 . . . . . 189 VAL N . 16071 1 436 . 1 1 103 103 THR H H 1 8.220 0.020 . 1 . . . . . 190 THR H . 16071 1 437 . 1 1 103 103 THR C C 13 176.773 0.3 . 1 . . . . . 190 THR C . 16071 1 438 . 1 1 103 103 THR CA C 13 65.113 0.3 . 1 . . . . . 190 THR CA . 16071 1 439 . 1 1 103 103 THR CB C 13 68.843 0.3 . 1 . . . . . 190 THR CB . 16071 1 440 . 1 1 103 103 THR N N 15 115.582 0.3 . 1 . . . . . 190 THR N . 16071 1 441 . 1 1 104 104 THR H H 1 8.059 0.020 . 1 . . . . . 191 THR H . 16071 1 442 . 1 1 104 104 THR C C 13 177.155 0.3 . 1 . . . . . 191 THR C . 16071 1 443 . 1 1 104 104 THR CA C 13 64.954 0.3 . 1 . . . . . 191 THR CA . 16071 1 444 . 1 1 104 104 THR CB C 13 68.505 0.3 . 1 . . . . . 191 THR CB . 16071 1 445 . 1 1 104 104 THR N N 15 114.887 0.3 . 1 . . . . . 191 THR N . 16071 1 446 . 1 1 105 105 THR H H 1 8.288 0.020 . 1 . . . . . 192 THR H . 16071 1 447 . 1 1 105 105 THR C C 13 178.065 0.3 . 1 . . . . . 192 THR C . 16071 1 448 . 1 1 105 105 THR CA C 13 65.017 0.3 . 1 . . . . . 192 THR CA . 16071 1 449 . 1 1 105 105 THR CB C 13 68.570 0.3 . 1 . . . . . 192 THR CB . 16071 1 450 . 1 1 105 105 THR N N 15 118.610 0.3 . 1 . . . . . 192 THR N . 16071 1 451 . 1 1 106 106 THR H H 1 7.835 0.020 . 1 . . . . . 193 THR H . 16071 1 452 . 1 1 106 106 THR C C 13 175.165 0.3 . 1 . . . . . 193 THR C . 16071 1 453 . 1 1 106 106 THR CA C 13 64.444 0.3 . 1 . . . . . 193 THR CA . 16071 1 454 . 1 1 106 106 THR CB C 13 68.537 0.3 . 1 . . . . . 193 THR CB . 16071 1 455 . 1 1 106 106 THR N N 15 116.693 0.3 . 1 . . . . . 193 THR N . 16071 1 456 . 1 1 107 107 LYS H H 1 7.465 0.020 . 1 . . . . . 194 LYS H . 16071 1 457 . 1 1 107 107 LYS C C 13 176.733 0.3 . 1 . . . . . 194 LYS C . 16071 1 458 . 1 1 107 107 LYS CA C 13 55.773 0.3 . 1 . . . . . 194 LYS CA . 16071 1 459 . 1 1 107 107 LYS CB C 13 32.193 0.3 . 1 . . . . . 194 LYS CB . 16071 1 460 . 1 1 107 107 LYS N N 15 119.828 0.3 . 1 . . . . . 194 LYS N . 16071 1 461 . 1 1 108 108 GLY H H 1 7.922 0.020 . 1 . . . . . 195 GLY H . 16071 1 462 . 1 1 108 108 GLY C C 13 174.242 0.3 . 1 . . . . . 195 GLY C . 16071 1 463 . 1 1 108 108 GLY CA C 13 45.028 0.3 . 1 . . . . . 195 GLY CA . 16071 1 464 . 1 1 108 108 GLY N N 15 108.091 0.3 . 1 . . . . . 195 GLY N . 16071 1 465 . 1 1 109 109 GLU H H 1 7.452 0.020 . 1 . . . . . 196 GLU H . 16071 1 466 . 1 1 109 109 GLU C C 13 174.901 0.3 . 1 . . . . . 196 GLU C . 16071 1 467 . 1 1 109 109 GLU CA C 13 55.109 0.3 . 1 . . . . . 196 GLU CA . 16071 1 468 . 1 1 109 109 GLU CB C 13 31.001 0.3 . 1 . . . . . 196 GLU CB . 16071 1 469 . 1 1 109 109 GLU N N 15 120.435 0.3 . 1 . . . . . 196 GLU N . 16071 1 470 . 1 1 110 110 ASN H H 1 8.565 0.020 . 1 . . . . . 197 ASN H . 16071 1 471 . 1 1 110 110 ASN C C 13 173.583 0.3 . 1 . . . . . 197 ASN C . 16071 1 472 . 1 1 110 110 ASN CA C 13 52.317 0.3 . 1 . . . . . 197 ASN CA . 16071 1 473 . 1 1 110 110 ASN CB C 13 40.900 0.3 . 1 . . . . . 197 ASN CB . 16071 1 474 . 1 1 110 110 ASN N N 15 119.655 0.3 . 1 . . . . . 197 ASN N . 16071 1 475 . 1 1 111 111 PHE H H 1 8.787 0.020 . 1 . . . . . 198 PHE H . 16071 1 476 . 1 1 111 111 PHE C C 13 176.694 0.3 . 1 . . . . . 198 PHE C . 16071 1 477 . 1 1 111 111 PHE CA C 13 56.041 0.3 . 1 . . . . . 198 PHE CA . 16071 1 478 . 1 1 111 111 PHE CB C 13 39.758 0.3 . 1 . . . . . 198 PHE CB . 16071 1 479 . 1 1 111 111 PHE N N 15 122.005 0.3 . 1 . . . . . 198 PHE N . 16071 1 480 . 1 1 112 112 THR H H 1 9.610 0.020 . 1 . . . . . 199 THR H . 16071 1 481 . 1 1 112 112 THR C C 13 175.455 0.3 . 1 . . . . . 199 THR C . 16071 1 482 . 1 1 112 112 THR CA C 13 59.988 0.3 . 1 . . . . . 199 THR CA . 16071 1 483 . 1 1 112 112 THR CB C 13 71.675 0.3 . 1 . . . . . 199 THR CB . 16071 1 484 . 1 1 112 112 THR N N 15 116.237 0.3 . 1 . . . . . 199 THR N . 16071 1 485 . 1 1 113 113 GLU H H 1 9.211 0.020 . 1 . . . . . 200 GLU H . 16071 1 486 . 1 1 113 113 GLU C C 13 179.291 0.3 . 1 . . . . . 200 GLU C . 16071 1 487 . 1 1 113 113 GLU CA C 13 59.606 0.3 . 1 . . . . . 200 GLU CA . 16071 1 488 . 1 1 113 113 GLU CB C 13 28.793 0.3 . 1 . . . . . 200 GLU CB . 16071 1 489 . 1 1 113 113 GLU N N 15 120.166 0.3 . 1 . . . . . 200 GLU N . 16071 1 490 . 1 1 114 114 THR H H 1 7.972 0.020 . 1 . . . . . 201 THR H . 16071 1 491 . 1 1 114 114 THR C C 13 175.666 0.3 . 1 . . . . . 201 THR C . 16071 1 492 . 1 1 114 114 THR CA C 13 66.386 0.3 . 1 . . . . . 201 THR CA . 16071 1 493 . 1 1 114 114 THR CB C 13 68.324 0.3 . 1 . . . . . 201 THR CB . 16071 1 494 . 1 1 114 114 THR N N 15 116.891 0.3 . 1 . . . . . 201 THR N . 16071 1 495 . 1 1 115 115 ASP H H 1 7.536 0.020 . 1 . . . . . 202 ASP H . 16071 1 496 . 1 1 115 115 ASP C C 13 177.617 0.3 . 1 . . . . . 202 ASP C . 16071 1 497 . 1 1 115 115 ASP CA C 13 57.633 0.3 . 1 . . . . . 202 ASP CA . 16071 1 498 . 1 1 115 115 ASP CB C 13 41.590 0.3 . 1 . . . . . 202 ASP CB . 16071 1 499 . 1 1 115 115 ASP N N 15 120.142 0.3 . 1 . . . . . 202 ASP N . 16071 1 500 . 1 1 116 116 VAL H H 1 8.262 0.020 . 1 . . . . . 203 VAL H . 16071 1 501 . 1 1 116 116 VAL C C 13 177.419 0.3 . 1 . . . . . 203 VAL C . 16071 1 502 . 1 1 116 116 VAL CA C 13 67.436 0.3 . 1 . . . . . 203 VAL CA . 16071 1 503 . 1 1 116 116 VAL CB C 13 31.023 0.3 . 1 . . . . . 203 VAL CB . 16071 1 504 . 1 1 116 116 VAL N N 15 119.915 0.3 . 1 . . . . . 203 VAL N . 16071 1 505 . 1 1 117 117 LYS H H 1 7.698 0.020 . 1 . . . . . 204 LYS H . 16071 1 506 . 1 1 117 117 LYS C C 13 180.056 0.3 . 1 . . . . . 204 LYS C . 16071 1 507 . 1 1 117 117 LYS CA C 13 58.715 0.3 . 1 . . . . . 204 LYS CA . 16071 1 508 . 1 1 117 117 LYS CB C 13 31.558 0.3 . 1 . . . . . 204 LYS CB . 16071 1 509 . 1 1 117 117 LYS N N 15 119.296 0.3 . 1 . . . . . 204 LYS N . 16071 1 510 . 1 1 118 118 MET H H 1 8.182 0.020 . 1 . . . . . 205 MET H . 16071 1 511 . 1 1 118 118 MET C C 13 178.210 0.3 . 1 . . . . . 205 MET C . 16071 1 512 . 1 1 118 118 MET CA C 13 59.310 0.3 . 1 . . . . . 205 MET CA . 16071 1 513 . 1 1 118 118 MET CB C 13 32.397 0.3 . 1 . . . . . 205 MET CB . 16071 1 514 . 1 1 118 118 MET N N 15 118.639 0.3 . 1 . . . . . 205 MET N . 16071 1 515 . 1 1 119 119 MET H H 1 8.708 0.020 . 1 . . . . . 206 MET H . 16071 1 516 . 1 1 119 119 MET C C 13 177.801 0.3 . 1 . . . . . 206 MET C . 16071 1 517 . 1 1 119 119 MET CA C 13 59.574 0.3 . 1 . . . . . 206 MET CA . 16071 1 518 . 1 1 119 119 MET CB C 13 33.701 0.3 . 1 . . . . . 206 MET CB . 16071 1 519 . 1 1 119 119 MET N N 15 118.433 0.3 . 1 . . . . . 206 MET N . 16071 1 520 . 1 1 120 120 GLU H H 1 8.587 0.020 . 1 . . . . . 207 GLU H . 16071 1 521 . 1 1 120 120 GLU C C 13 178.737 0.3 . 1 . . . . . 207 GLU C . 16071 1 522 . 1 1 120 120 GLU CA C 13 60.275 0.3 . 1 . . . . . 207 GLU CA . 16071 1 523 . 1 1 120 120 GLU CB C 13 28.863 0.3 . 1 . . . . . 207 GLU CB . 16071 1 524 . 1 1 120 120 GLU N N 15 119.139 0.3 . 1 . . . . . 207 GLU N . 16071 1 525 . 1 1 121 121 ARG H H 1 7.282 0.020 . 1 . . . . . 208 ARG H . 16071 1 526 . 1 1 121 121 ARG C C 13 179.331 0.3 . 1 . . . . . 208 ARG C . 16071 1 527 . 1 1 121 121 ARG CA C 13 58.015 0.3 . 1 . . . . . 208 ARG CA . 16071 1 528 . 1 1 121 121 ARG CB C 13 29.562 0.3 . 1 . . . . . 208 ARG CB . 16071 1 529 . 1 1 121 121 ARG N N 15 117.009 0.3 . 1 . . . . . 208 ARG N . 16071 1 530 . 1 1 122 122 VAL H H 1 8.275 0.020 . 1 . . . . . 209 VAL H . 16071 1 531 . 1 1 122 122 VAL C C 13 177.037 0.3 . 1 . . . . . 209 VAL C . 16071 1 532 . 1 1 122 122 VAL CA C 13 65.208 0.3 . 1 . . . . . 209 VAL CA . 16071 1 533 . 1 1 122 122 VAL CB C 13 31.842 0.3 . 1 . . . . . 209 VAL CB . 16071 1 534 . 1 1 122 122 VAL N N 15 119.325 0.3 . 1 . . . . . 209 VAL N . 16071 1 535 . 1 1 123 123 VAL H H 1 9.172 0.020 . 1 . . . . . 210 VAL H . 16071 1 536 . 1 1 123 123 VAL C C 13 177.617 0.3 . 1 . . . . . 210 VAL C . 16071 1 537 . 1 1 123 123 VAL CA C 13 65.909 0.3 . 1 . . . . . 210 VAL CA . 16071 1 538 . 1 1 123 123 VAL CB C 13 30.610 0.3 . 1 . . . . . 210 VAL CB . 16071 1 539 . 1 1 123 123 VAL N N 15 121.597 0.3 . 1 . . . . . 210 VAL N . 16071 1 540 . 1 1 124 124 GLU H H 1 8.011 0.020 . 1 . . . . . 211 GLU H . 16071 1 541 . 1 1 124 124 GLU C C 13 177.525 0.3 . 1 . . . . . 211 GLU C . 16071 1 542 . 1 1 124 124 GLU CA C 13 60.784 0.3 . 1 . . . . . 211 GLU CA . 16071 1 543 . 1 1 124 124 GLU CB C 13 28.607 0.3 . 1 . . . . . 211 GLU CB . 16071 1 544 . 1 1 124 124 GLU N N 15 120.964 0.3 . 1 . . . . . 211 GLU N . 16071 1 545 . 1 1 125 125 GLN H H 1 7.083 0.020 . 1 . . . . . 212 GLN H . 16071 1 546 . 1 1 125 125 GLN C C 13 179.238 0.3 . 1 . . . . . 212 GLN C . 16071 1 547 . 1 1 125 125 GLN CA C 13 58.715 0.3 . 1 . . . . . 212 GLN CA . 16071 1 548 . 1 1 125 125 GLN CB C 13 27.601 0.3 . 1 . . . . . 212 GLN CB . 16071 1 549 . 1 1 125 125 GLN N N 15 115.483 0.3 . 1 . . . . . 212 GLN N . 16071 1 550 . 1 1 126 126 MET H H 1 8.133 0.020 . 1 . . . . . 213 MET H . 16071 1 551 . 1 1 126 126 MET C C 13 178.555 0.3 . 1 . . . . . 213 MET C . 16071 1 552 . 1 1 126 126 MET CA C 13 59.543 0.3 . 1 . . . . . 213 MET CA . 16071 1 553 . 1 1 126 126 MET CB C 13 34.110 0.3 . 1 . . . . . 213 MET CB . 16071 1 554 . 1 1 126 126 MET N N 15 119.470 0.3 . 1 . . . . . 213 MET N . 16071 1 555 . 1 1 127 127 CYS H H 1 9.235 0.020 . 1 . . . . . 214 CYS H . 16071 1 556 . 1 1 127 127 CYS C C 13 176.905 0.3 . 1 . . . . . 214 CYS C . 16071 1 557 . 1 1 127 127 CYS CA C 13 59.606 0.3 . 1 . . . . . 214 CYS CA . 16071 1 558 . 1 1 127 127 CYS CB C 13 41.528 0.3 . 1 . . . . . 214 CYS CB . 16071 1 559 . 1 1 127 127 CYS N N 15 119.731 0.3 . 1 . . . . . 214 CYS N . 16071 1 560 . 1 1 128 128 VAL H H 1 8.514 0.020 . 1 . . . . . 215 VAL H . 16071 1 561 . 1 1 128 128 VAL C C 13 178.078 0.3 . 1 . . . . . 215 VAL C . 16071 1 562 . 1 1 128 128 VAL CA C 13 67.341 0.3 . 1 . . . . . 215 VAL CA . 16071 1 563 . 1 1 128 128 VAL CB C 13 31.334 0.3 . 1 . . . . . 215 VAL CB . 16071 1 564 . 1 1 128 128 VAL N N 15 123.916 0.3 . 1 . . . . . 215 VAL N . 16071 1 565 . 1 1 129 129 THR H H 1 8.128 0.020 . 1 . . . . . 216 THR H . 16071 1 566 . 1 1 129 129 THR C C 13 176.694 0.3 . 1 . . . . . 216 THR C . 16071 1 567 . 1 1 129 129 THR CA C 13 66.641 0.3 . 1 . . . . . 216 THR CA . 16071 1 568 . 1 1 129 129 THR CB C 13 67.710 0.3 . 1 . . . . . 216 THR CB . 16071 1 569 . 1 1 129 129 THR N N 15 118.389 0.3 . 1 . . . . . 216 THR N . 16071 1 570 . 1 1 130 130 GLN H H 1 8.731 0.020 . 1 . . . . . 217 GLN H . 16071 1 571 . 1 1 130 130 GLN C C 13 177.419 0.3 . 1 . . . . . 217 GLN C . 16071 1 572 . 1 1 130 130 GLN CA C 13 58.212 0.3 . 1 . . . . . 217 GLN CA . 16071 1 573 . 1 1 130 130 GLN CB C 13 28.024 0.3 . 1 . . . . . 217 GLN CB . 16071 1 574 . 1 1 130 130 GLN N N 15 122.870 0.3 . 1 . . . . . 217 GLN N . 16071 1 575 . 1 1 131 131 TYR H H 1 8.623 0.020 . 1 . . . . . 218 TYR H . 16071 1 576 . 1 1 131 131 TYR C C 13 178.197 0.3 . 1 . . . . . 218 TYR C . 16071 1 577 . 1 1 131 131 TYR CA C 13 61.638 0.3 . 1 . . . . . 218 TYR CA . 16071 1 578 . 1 1 131 131 TYR CB C 13 40.928 0.3 . 1 . . . . . 218 TYR CB . 16071 1 579 . 1 1 131 131 TYR N N 15 120.443 0.3 . 1 . . . . . 218 TYR N . 16071 1 580 . 1 1 132 132 GLN H H 1 8.255 0.020 . 1 . . . . . 219 GLN H . 16071 1 581 . 1 1 132 132 GLN C C 13 178.553 0.3 . 1 . . . . . 219 GLN C . 16071 1 582 . 1 1 132 132 GLN CA C 13 58.640 0.3 . 1 . . . . . 219 GLN CA . 16071 1 583 . 1 1 132 132 GLN CB C 13 27.085 0.3 . 1 . . . . . 219 GLN CB . 16071 1 584 . 1 1 132 132 GLN N N 15 119.893 0.3 . 1 . . . . . 219 GLN N . 16071 1 585 . 1 1 133 133 LYS H H 1 7.873 0.020 . 1 . . . . . 220 LYS H . 16071 1 586 . 1 1 133 133 LYS C C 13 179.779 0.3 . 1 . . . . . 220 LYS C . 16071 1 587 . 1 1 133 133 LYS CA C 13 58.940 0.3 . 1 . . . . . 220 LYS CA . 16071 1 588 . 1 1 133 133 LYS CB C 13 32.140 0.3 . 1 . . . . . 220 LYS CB . 16071 1 589 . 1 1 133 133 LYS N N 15 119.653 0.3 . 1 . . . . . 220 LYS N . 16071 1 590 . 1 1 134 134 GLU H H 1 8.441 0.020 . 1 . . . . . 221 GLU H . 16071 1 591 . 1 1 134 134 GLU C C 13 179.238 0.3 . 1 . . . . . 221 GLU C . 16071 1 592 . 1 1 134 134 GLU CA C 13 57.443 0.3 . 1 . . . . . 221 GLU CA . 16071 1 593 . 1 1 134 134 GLU CB C 13 29.611 0.3 . 1 . . . . . 221 GLU CB . 16071 1 594 . 1 1 134 134 GLU N N 15 118.533 0.3 . 1 . . . . . 221 GLU N . 16071 1 595 . 1 1 135 135 SER H H 1 8.423 0.020 . 1 . . . . . 222 SER H . 16071 1 596 . 1 1 135 135 SER C C 13 175.736 0.3 . 1 . . . . . 222 SER C . 16071 1 597 . 1 1 135 135 SER CA C 13 60.731 0.3 . 1 . . . . . 222 SER CA . 16071 1 598 . 1 1 135 135 SER CB C 13 62.090 0.3 . 1 . . . . . 222 SER CB . 16071 1 599 . 1 1 135 135 SER N N 15 115.424 0.3 . 1 . . . . . 222 SER N . 16071 1 600 . 1 1 136 136 GLN H H 1 7.607 0.020 . 1 . . . . . 223 GLN H . 16071 1 601 . 1 1 136 136 GLN C C 13 177.191 0.3 . 1 . . . . . 223 GLN C . 16071 1 602 . 1 1 136 136 GLN CA C 13 57.670 0.3 . 1 . . . . . 223 GLN CA . 16071 1 603 . 1 1 136 136 GLN CB C 13 28.152 0.3 . 1 . . . . . 223 GLN CB . 16071 1 604 . 1 1 136 136 GLN N N 15 120.975 0.3 . 1 . . . . . 223 GLN N . 16071 1 605 . 1 1 137 137 ALA H H 1 7.609 0.020 . 1 . . . . . 224 ALA H . 16071 1 606 . 1 1 137 137 ALA C C 13 179.014 0.3 . 1 . . . . . 224 ALA C . 16071 1 607 . 1 1 137 137 ALA CA C 13 53.679 0.3 . 1 . . . . . 224 ALA CA . 16071 1 608 . 1 1 137 137 ALA CB C 13 18.023 0.3 . 1 . . . . . 224 ALA CB . 16071 1 609 . 1 1 137 137 ALA N N 15 120.921 0.3 . 1 . . . . . 224 ALA N . 16071 1 610 . 1 1 138 138 TYR H H 1 7.947 0.020 . 1 . . . . . 225 TYR H . 16071 1 611 . 1 1 138 138 TYR C C 13 177.195 0.3 . 1 . . . . . 225 TYR C . 16071 1 612 . 1 1 138 138 TYR CA C 13 59.507 0.3 . 1 . . . . . 225 TYR CA . 16071 1 613 . 1 1 138 138 TYR CB C 13 38.349 0.3 . 1 . . . . . 225 TYR CB . 16071 1 614 . 1 1 138 138 TYR N N 15 119.383 0.3 . 1 . . . . . 225 TYR N . 16071 1 615 . 1 1 139 139 TYR H H 1 8.057 0.020 . 1 . . . . . 226 TYR H . 16071 1 616 . 1 1 139 139 TYR C C 13 176.932 0.3 . 1 . . . . . 226 TYR C . 16071 1 617 . 1 1 139 139 TYR CA C 13 59.325 0.3 . 1 . . . . . 226 TYR CA . 16071 1 618 . 1 1 139 139 TYR CB C 13 37.802 0.3 . 1 . . . . . 226 TYR CB . 16071 1 619 . 1 1 139 139 TYR N N 15 119.886 0.3 . 1 . . . . . 226 TYR N . 16071 1 620 . 1 1 140 140 ASP H H 1 8.251 0.020 . 1 . . . . . 227 ASP H . 16071 1 621 . 1 1 140 140 ASP C C 13 177.300 0.3 . 1 . . . . . 227 ASP C . 16071 1 622 . 1 1 140 140 ASP CA C 13 54.835 0.3 . 1 . . . . . 227 ASP CA . 16071 1 623 . 1 1 140 140 ASP CB C 13 40.505 0.3 . 1 . . . . . 227 ASP CB . 16071 1 624 . 1 1 140 140 ASP N N 15 121.166 0.3 . 1 . . . . . 227 ASP N . 16071 1 625 . 1 1 141 141 GLY H H 1 7.863 0.020 . 1 . . . . . 228 GLY H . 16071 1 626 . 1 1 141 141 GLY C C 13 174.426 0.3 . 1 . . . . . 228 GLY C . 16071 1 627 . 1 1 141 141 GLY CA C 13 45.197 0.3 . 1 . . . . . 228 GLY CA . 16071 1 628 . 1 1 141 141 GLY N N 15 108.188 0.3 . 1 . . . . . 228 GLY N . 16071 1 629 . 1 1 142 142 ARG H H 1 7.843 0.020 . 1 . . . . . 229 ARG H . 16071 1 630 . 1 1 142 142 ARG C C 13 176.219 0.3 . 1 . . . . . 229 ARG C . 16071 1 631 . 1 1 142 142 ARG CA C 13 55.788 0.3 . 1 . . . . . 229 ARG CA . 16071 1 632 . 1 1 142 142 ARG CB C 13 30.192 0.3 . 1 . . . . . 229 ARG CB . 16071 1 633 . 1 1 142 142 ARG N N 15 120.249 0.3 . 1 . . . . . 229 ARG N . 16071 1 634 . 1 1 143 143 ARG H H 1 8.255 0.020 . 1 . . . . . 230 ARG H . 16071 1 635 . 1 1 143 143 ARG C C 13 175.507 0.3 . 1 . . . . . 230 ARG C . 16071 1 636 . 1 1 143 143 ARG CA C 13 55.470 0.3 . 1 . . . . . 230 ARG CA . 16071 1 637 . 1 1 143 143 ARG CB C 13 30.577 0.3 . 1 . . . . . 230 ARG CB . 16071 1 638 . 1 1 143 143 ARG N N 15 122.741 0.3 . 1 . . . . . 230 ARG N . 16071 1 639 . 1 1 144 144 SER H H 1 8.010 0.020 . 1 . . . . . 231 SER H . 16071 1 640 . 1 1 144 144 SER C C 13 178.645 0.3 . 1 . . . . . 231 SER C . 16071 1 641 . 1 1 144 144 SER CA C 13 59.552 0.3 . 1 . . . . . 231 SER CA . 16071 1 642 . 1 1 144 144 SER CB C 13 64.403 0.3 . 1 . . . . . 231 SER CB . 16071 1 643 . 1 1 144 144 SER N N 15 122.986 0.3 . 1 . . . . . 231 SER N . 16071 1 stop_ save_