data_51006 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51006 _Entry.Title ; Assignment of the full length A6 mouse prion protein at 37degC pH 4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-07-06 _Entry.Accession_date 2021-07-06 _Entry.Last_release_date 2021-07-07 _Entry.Original_release_date 2021-07-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _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 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Suhas Bhate . H. . 0000-0002-9992-7337 51006 2 Jayant Udgaonkar . B. . . 51006 3 Ranabir Das . . . . 51006 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51006 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 265 51006 '15N chemical shifts' 158 51006 '1H chemical shifts' 158 51006 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2021-11-10 . original BMRB . 51006 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51007 'full length Q216R mouse prion protein' 51006 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51006 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34558139 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Destabilization of polar interactions in the prion protein triggers misfolding and oligomerization ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full 'Protein science : a publication of the Protein Society' _Citation.Journal_volume 30 _Citation.Journal_issue 11 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1469-896X _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 2258 _Citation.Page_last 2271 _Citation.Year 2021 _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 Suhas Bhate . H. . . 51006 1 2 Jayant Udgaonkar . B. . . 51006 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51006 _Assembly.ID 1 _Assembly.Name 'A6 mouse prion protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 23057 _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 'A6 mouse prion protein' 1 $entity_1 . . yes native no no . . . 51006 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 . 1 CYS 157 157 SG . 1 . 1 CYS 192 192 SG . . . . . . . . . . . . 51006 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51006 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKKRPKPGGWNTGGSRYPGQ GSPGGNRYPPQGGTWGQPHG GGWGQPHGGSWGQPHGGSWG QPHGGGWGQGGGTHNQWNKP SKPKTNLKHVAGAAAAGAVV GGLGGYMLGSAMSRPMIHFG NDWEDRYYRENMYRYPNQVY YRPVDQYSNQNNFVHDCVNI TIKQHAAAAAAKGENFTETD VKMMERVVEQMCVTQYQKES QAYYDGRRSSS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 211 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes BMRB 26958 . 'Mouse prion protein' . . . . . . . . . . . . . . 51006 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 22 MET . 51006 1 2 23 LYS . 51006 1 3 24 LYS . 51006 1 4 25 ARG . 51006 1 5 26 PRO . 51006 1 6 27 LYS . 51006 1 7 28 PRO . 51006 1 8 29 GLY . 51006 1 9 30 GLY . 51006 1 10 31 TRP . 51006 1 11 32 ASN . 51006 1 12 33 THR . 51006 1 13 34 GLY . 51006 1 14 35 GLY . 51006 1 15 36 SER . 51006 1 16 37 ARG . 51006 1 17 38 TYR . 51006 1 18 39 PRO . 51006 1 19 40 GLY . 51006 1 20 41 GLN . 51006 1 21 42 GLY . 51006 1 22 43 SER . 51006 1 23 44 PRO . 51006 1 24 45 GLY . 51006 1 25 46 GLY . 51006 1 26 47 ASN . 51006 1 27 48 ARG . 51006 1 28 49 TYR . 51006 1 29 50 PRO . 51006 1 30 51 PRO . 51006 1 31 52 GLN . 51006 1 32 53 GLY . 51006 1 33 54 GLY . 51006 1 34 55 THR . 51006 1 35 56 TRP . 51006 1 36 57 GLY . 51006 1 37 58 GLN . 51006 1 38 59 PRO . 51006 1 39 60 HIS . 51006 1 40 61 GLY . 51006 1 41 62 GLY . 51006 1 42 63 GLY . 51006 1 43 64 TRP . 51006 1 44 65 GLY . 51006 1 45 66 GLN . 51006 1 46 67 PRO . 51006 1 47 68 HIS . 51006 1 48 69 GLY . 51006 1 49 70 GLY . 51006 1 50 71 SER . 51006 1 51 72 TRP . 51006 1 52 73 GLY . 51006 1 53 74 GLN . 51006 1 54 75 PRO . 51006 1 55 76 HIS . 51006 1 56 77 GLY . 51006 1 57 78 GLY . 51006 1 58 79 SER . 51006 1 59 80 TRP . 51006 1 60 81 GLY . 51006 1 61 82 GLN . 51006 1 62 83 PRO . 51006 1 63 84 HIS . 51006 1 64 85 GLY . 51006 1 65 86 GLY . 51006 1 66 87 GLY . 51006 1 67 88 TRP . 51006 1 68 89 GLY . 51006 1 69 90 GLN . 51006 1 70 91 GLY . 51006 1 71 92 GLY . 51006 1 72 93 GLY . 51006 1 73 94 THR . 51006 1 74 95 HIS . 51006 1 75 96 ASN . 51006 1 76 97 GLN . 51006 1 77 98 TRP . 51006 1 78 99 ASN . 51006 1 79 100 LYS . 51006 1 80 101 PRO . 51006 1 81 102 SER . 51006 1 82 103 LYS . 51006 1 83 104 PRO . 51006 1 84 105 LYS . 51006 1 85 106 THR . 51006 1 86 107 ASN . 51006 1 87 108 LEU . 51006 1 88 109 LYS . 51006 1 89 110 HIS . 51006 1 90 111 VAL . 51006 1 91 112 ALA . 51006 1 92 113 GLY . 51006 1 93 114 ALA . 51006 1 94 115 ALA . 51006 1 95 116 ALA . 51006 1 96 117 ALA . 51006 1 97 118 GLY . 51006 1 98 119 ALA . 51006 1 99 120 VAL . 51006 1 100 121 VAL . 51006 1 101 122 GLY . 51006 1 102 123 GLY . 51006 1 103 124 LEU . 51006 1 104 125 GLY . 51006 1 105 126 GLY . 51006 1 106 127 TYR . 51006 1 107 128 MET . 51006 1 108 129 LEU . 51006 1 109 130 GLY . 51006 1 110 131 SER . 51006 1 111 132 ALA . 51006 1 112 133 MET . 51006 1 113 134 SER . 51006 1 114 135 ARG . 51006 1 115 136 PRO . 51006 1 116 137 MET . 51006 1 117 138 ILE . 51006 1 118 139 HIS . 51006 1 119 140 PHE . 51006 1 120 141 GLY . 51006 1 121 142 ASN . 51006 1 122 143 ASP . 51006 1 123 144 TRP . 51006 1 124 145 GLU . 51006 1 125 146 ASP . 51006 1 126 147 ARG . 51006 1 127 148 TYR . 51006 1 128 149 TYR . 51006 1 129 150 ARG . 51006 1 130 151 GLU . 51006 1 131 152 ASN . 51006 1 132 153 MET . 51006 1 133 154 TYR . 51006 1 134 155 ARG . 51006 1 135 156 TYR . 51006 1 136 157 PRO . 51006 1 137 158 ASN . 51006 1 138 159 GLN . 51006 1 139 160 VAL . 51006 1 140 161 TYR . 51006 1 141 162 TYR . 51006 1 142 163 ARG . 51006 1 143 164 PRO . 51006 1 144 165 VAL . 51006 1 145 166 ASP . 51006 1 146 167 GLN . 51006 1 147 168 TYR . 51006 1 148 169 SER . 51006 1 149 170 ASN . 51006 1 150 171 GLN . 51006 1 151 172 ASN . 51006 1 152 173 ASN . 51006 1 153 174 PHE . 51006 1 154 175 VAL . 51006 1 155 176 HIS . 51006 1 156 177 ASP . 51006 1 157 178 CYS . 51006 1 158 179 VAL . 51006 1 159 180 ASN . 51006 1 160 181 ILE . 51006 1 161 182 THR . 51006 1 162 183 ILE . 51006 1 163 184 LYS . 51006 1 164 185 GLN . 51006 1 165 186 HIS . 51006 1 166 187 ALA . 51006 1 167 188 ALA . 51006 1 168 189 ALA . 51006 1 169 190 ALA . 51006 1 170 191 ALA . 51006 1 171 192 ALA . 51006 1 172 193 LYS . 51006 1 173 194 GLY . 51006 1 174 195 GLU . 51006 1 175 196 ASN . 51006 1 176 197 PHE . 51006 1 177 198 THR . 51006 1 178 199 GLU . 51006 1 179 200 THR . 51006 1 180 201 ASP . 51006 1 181 202 VAL . 51006 1 182 203 LYS . 51006 1 183 204 MET . 51006 1 184 205 MET . 51006 1 185 206 GLU . 51006 1 186 207 ARG . 51006 1 187 208 VAL . 51006 1 188 209 VAL . 51006 1 189 210 GLU . 51006 1 190 211 GLN . 51006 1 191 212 MET . 51006 1 192 213 CYS . 51006 1 193 214 VAL . 51006 1 194 215 THR . 51006 1 195 216 GLN . 51006 1 196 217 TYR . 51006 1 197 218 GLN . 51006 1 198 219 LYS . 51006 1 199 220 GLU . 51006 1 200 221 SER . 51006 1 201 222 GLN . 51006 1 202 223 ALA . 51006 1 203 224 TYR . 51006 1 204 225 TYR . 51006 1 205 226 ASP . 51006 1 206 227 GLY . 51006 1 207 228 ARG . 51006 1 208 229 ARG . 51006 1 209 230 SER . 51006 1 210 231 SER . 51006 1 211 232 SER . 51006 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 51006 1 . LYS 2 2 51006 1 . LYS 3 3 51006 1 . ARG 4 4 51006 1 . PRO 5 5 51006 1 . LYS 6 6 51006 1 . PRO 7 7 51006 1 . GLY 8 8 51006 1 . GLY 9 9 51006 1 . TRP 10 10 51006 1 . ASN 11 11 51006 1 . THR 12 12 51006 1 . GLY 13 13 51006 1 . GLY 14 14 51006 1 . SER 15 15 51006 1 . ARG 16 16 51006 1 . TYR 17 17 51006 1 . PRO 18 18 51006 1 . GLY 19 19 51006 1 . GLN 20 20 51006 1 . GLY 21 21 51006 1 . SER 22 22 51006 1 . PRO 23 23 51006 1 . GLY 24 24 51006 1 . GLY 25 25 51006 1 . ASN 26 26 51006 1 . ARG 27 27 51006 1 . TYR 28 28 51006 1 . PRO 29 29 51006 1 . PRO 30 30 51006 1 . GLN 31 31 51006 1 . GLY 32 32 51006 1 . GLY 33 33 51006 1 . THR 34 34 51006 1 . TRP 35 35 51006 1 . GLY 36 36 51006 1 . GLN 37 37 51006 1 . PRO 38 38 51006 1 . HIS 39 39 51006 1 . GLY 40 40 51006 1 . GLY 41 41 51006 1 . GLY 42 42 51006 1 . TRP 43 43 51006 1 . GLY 44 44 51006 1 . GLN 45 45 51006 1 . PRO 46 46 51006 1 . HIS 47 47 51006 1 . GLY 48 48 51006 1 . GLY 49 49 51006 1 . SER 50 50 51006 1 . TRP 51 51 51006 1 . GLY 52 52 51006 1 . GLN 53 53 51006 1 . PRO 54 54 51006 1 . HIS 55 55 51006 1 . GLY 56 56 51006 1 . GLY 57 57 51006 1 . SER 58 58 51006 1 . TRP 59 59 51006 1 . GLY 60 60 51006 1 . GLN 61 61 51006 1 . PRO 62 62 51006 1 . HIS 63 63 51006 1 . GLY 64 64 51006 1 . GLY 65 65 51006 1 . GLY 66 66 51006 1 . TRP 67 67 51006 1 . GLY 68 68 51006 1 . GLN 69 69 51006 1 . GLY 70 70 51006 1 . GLY 71 71 51006 1 . GLY 72 72 51006 1 . THR 73 73 51006 1 . HIS 74 74 51006 1 . ASN 75 75 51006 1 . GLN 76 76 51006 1 . TRP 77 77 51006 1 . ASN 78 78 51006 1 . LYS 79 79 51006 1 . PRO 80 80 51006 1 . SER 81 81 51006 1 . LYS 82 82 51006 1 . PRO 83 83 51006 1 . LYS 84 84 51006 1 . THR 85 85 51006 1 . ASN 86 86 51006 1 . LEU 87 87 51006 1 . LYS 88 88 51006 1 . HIS 89 89 51006 1 . VAL 90 90 51006 1 . ALA 91 91 51006 1 . GLY 92 92 51006 1 . ALA 93 93 51006 1 . ALA 94 94 51006 1 . ALA 95 95 51006 1 . ALA 96 96 51006 1 . GLY 97 97 51006 1 . ALA 98 98 51006 1 . VAL 99 99 51006 1 . VAL 100 100 51006 1 . GLY 101 101 51006 1 . GLY 102 102 51006 1 . LEU 103 103 51006 1 . GLY 104 104 51006 1 . GLY 105 105 51006 1 . TYR 106 106 51006 1 . MET 107 107 51006 1 . LEU 108 108 51006 1 . GLY 109 109 51006 1 . SER 110 110 51006 1 . ALA 111 111 51006 1 . MET 112 112 51006 1 . SER 113 113 51006 1 . ARG 114 114 51006 1 . PRO 115 115 51006 1 . MET 116 116 51006 1 . ILE 117 117 51006 1 . HIS 118 118 51006 1 . PHE 119 119 51006 1 . GLY 120 120 51006 1 . ASN 121 121 51006 1 . ASP 122 122 51006 1 . TRP 123 123 51006 1 . GLU 124 124 51006 1 . ASP 125 125 51006 1 . ARG 126 126 51006 1 . TYR 127 127 51006 1 . TYR 128 128 51006 1 . ARG 129 129 51006 1 . GLU 130 130 51006 1 . ASN 131 131 51006 1 . MET 132 132 51006 1 . TYR 133 133 51006 1 . ARG 134 134 51006 1 . TYR 135 135 51006 1 . PRO 136 136 51006 1 . ASN 137 137 51006 1 . GLN 138 138 51006 1 . VAL 139 139 51006 1 . TYR 140 140 51006 1 . TYR 141 141 51006 1 . ARG 142 142 51006 1 . PRO 143 143 51006 1 . VAL 144 144 51006 1 . ASP 145 145 51006 1 . GLN 146 146 51006 1 . TYR 147 147 51006 1 . SER 148 148 51006 1 . ASN 149 149 51006 1 . GLN 150 150 51006 1 . ASN 151 151 51006 1 . ASN 152 152 51006 1 . PHE 153 153 51006 1 . VAL 154 154 51006 1 . HIS 155 155 51006 1 . ASP 156 156 51006 1 . CYS 157 157 51006 1 . VAL 158 158 51006 1 . ASN 159 159 51006 1 . ILE 160 160 51006 1 . THR 161 161 51006 1 . ILE 162 162 51006 1 . LYS 163 163 51006 1 . GLN 164 164 51006 1 . HIS 165 165 51006 1 . ALA 166 166 51006 1 . ALA 167 167 51006 1 . ALA 168 168 51006 1 . ALA 169 169 51006 1 . ALA 170 170 51006 1 . ALA 171 171 51006 1 . LYS 172 172 51006 1 . GLY 173 173 51006 1 . GLU 174 174 51006 1 . ASN 175 175 51006 1 . PHE 176 176 51006 1 . THR 177 177 51006 1 . GLU 178 178 51006 1 . THR 179 179 51006 1 . ASP 180 180 51006 1 . VAL 181 181 51006 1 . LYS 182 182 51006 1 . MET 183 183 51006 1 . MET 184 184 51006 1 . GLU 185 185 51006 1 . ARG 186 186 51006 1 . VAL 187 187 51006 1 . VAL 188 188 51006 1 . GLU 189 189 51006 1 . GLN 190 190 51006 1 . MET 191 191 51006 1 . CYS 192 192 51006 1 . VAL 193 193 51006 1 . THR 194 194 51006 1 . GLN 195 195 51006 1 . TYR 196 196 51006 1 . GLN 197 197 51006 1 . LYS 198 198 51006 1 . GLU 199 199 51006 1 . SER 200 200 51006 1 . GLN 201 201 51006 1 . ALA 202 202 51006 1 . TYR 203 203 51006 1 . TYR 204 204 51006 1 . ASP 205 205 51006 1 . GLY 206 206 51006 1 . ARG 207 207 51006 1 . ARG 208 208 51006 1 . SER 209 209 51006 1 . SER 210 210 51006 1 . SER 211 211 51006 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51006 _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 $entity_1 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 51006 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51006 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET-17b . . . 51006 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51006 _Sample.ID 1 _Sample.Name 'A6 mouse prion protein' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 'A6 mouse prion protein' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 500 . . uM . . . . 51006 1 2 'Sodium Acetate' 'natural abundance' . . . . . . 10 . . mM . . . . 51006 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 51006 _Sample_condition_list.ID 1 _Sample_condition_list.Name '10 mM Sodium Acetate, pH 4, 310 K' _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' 0.01 . M 51006 1 pH 4 . pH 51006 1 pressure 1 . atm 51006 1 temperature 310 . K 51006 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51006 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51006 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51006 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '800 MHz' _NMR_spectrometer.Details Cryo-probe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51006 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51006 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51006 1 3 '3D CBCACONH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51006 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51006 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Assignment of the A6 mouse prion protein' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.7 na indirect . . . . . . 51006 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 51006 1 N 15 water protons . . . . ppm 4.7 na indirect . . . . . . 51006 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51006 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'A6 mouse prion protein' _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51006 1 2 '3D HNCACB' . . . 51006 1 3 '3D CBCACONH' . . . 51006 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 $software_1 . . 51006 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 3 3 LYS H H 1 8.370 0.00 . . . . . . . 24 LYS H . 51006 1 2 . 1 . 1 3 3 LYS CA C 13 56.355 0.00 . . . . . . . 24 LYS CA . 51006 1 3 . 1 . 1 3 3 LYS CB C 13 33.339 0.00 . . . . . . . 24 LYS CB . 51006 1 4 . 1 . 1 3 3 LYS N N 15 123.688 0.00 . . . . . . . 24 LYS N . 51006 1 5 . 1 . 1 4 4 ARG H H 1 8.392 0.00 . . . . . . . 25 ARG H . 51006 1 6 . 1 . 1 4 4 ARG CA C 13 54.050 0.00 . . . . . . . 25 ARG CA . 51006 1 7 . 1 . 1 4 4 ARG CB C 13 30.351 0.00 . . . . . . . 25 ARG CB . 51006 1 8 . 1 . 1 4 4 ARG N N 15 124.286 0.01 . . . . . . . 25 ARG N . 51006 1 9 . 1 . 1 8 8 GLY H H 1 8.051 0.00 . . . . . . . 29 GLY H . 51006 1 10 . 1 . 1 8 8 GLY CA C 13 45.298 0.00 . . . . . . . 29 GLY CA . 51006 1 11 . 1 . 1 8 8 GLY N N 15 108.772 0.04 . . . . . . . 29 GLY N . 51006 1 12 . 1 . 1 9 9 GLY H H 1 8.162 0.00 . . . . . . . 30 GLY H . 51006 1 13 . 1 . 1 9 9 GLY N N 15 108.366 0.00 . . . . . . . 30 GLY N . 51006 1 14 . 1 . 1 10 10 TRP H H 1 7.974 0.00 . . . . . . . 31 TRP H . 51006 1 15 . 1 . 1 10 10 TRP CA C 13 57.462 0.00 . . . . . . . 31 TRP CA . 51006 1 16 . 1 . 1 10 10 TRP CB C 13 29.580 0.00 . . . . . . . 31 TRP CB . 51006 1 17 . 1 . 1 10 10 TRP N N 15 120.635 0.06 . . . . . . . 31 TRP N . 51006 1 18 . 1 . 1 11 11 ASN H H 1 8.223 0.00 . . . . . . . 32 ASN H . 51006 1 19 . 1 . 1 11 11 ASN CA C 13 53.132 0.00 . . . . . . . 32 ASN CA . 51006 1 20 . 1 . 1 11 11 ASN CB C 13 38.632 0.00 . . . . . . . 32 ASN CB . 51006 1 21 . 1 . 1 11 11 ASN N N 15 120.403 0.00 . . . . . . . 32 ASN N . 51006 1 22 . 1 . 1 12 12 THR H H 1 7.975 0.00 . . . . . . . 33 THR H . 51006 1 23 . 1 . 1 12 12 THR CA C 13 62.116 0.00 . . . . . . . 33 THR CA . 51006 1 24 . 1 . 1 12 12 THR CB C 13 69.587 0.00 . . . . . . . 33 THR CB . 51006 1 25 . 1 . 1 12 12 THR N N 15 113.455 0.08 . . . . . . . 33 THR N . 51006 1 26 . 1 . 1 13 13 GLY H H 1 8.341 0.00 . . . . . . . 34 GLY H . 51006 1 27 . 1 . 1 13 13 GLY CA C 13 45.573 0.00 . . . . . . . 34 GLY CA . 51006 1 28 . 1 . 1 13 13 GLY N N 15 110.856 0.00 . . . . . . . 34 GLY N . 51006 1 29 . 1 . 1 14 14 GLY H H 1 8.127 0.00 . . . . . . . 35 GLY H . 51006 1 30 . 1 . 1 14 14 GLY CA C 13 45.261 0.00 . . . . . . . 35 GLY CA . 51006 1 31 . 1 . 1 14 14 GLY N N 15 108.239 0.02 . . . . . . . 35 GLY N . 51006 1 32 . 1 . 1 15 15 SER H H 1 8.131 0.00 . . . . . . . 36 SER H . 51006 1 33 . 1 . 1 15 15 SER CA C 13 58.340 0.00 . . . . . . . 36 SER CA . 51006 1 34 . 1 . 1 15 15 SER CB C 13 63.934 0.00 . . . . . . . 36 SER CB . 51006 1 35 . 1 . 1 15 15 SER N N 15 115.439 0.01 . . . . . . . 36 SER N . 51006 1 36 . 1 . 1 16 16 ARG H H 1 8.207 0.00 . . . . . . . 37 ARG H . 51006 1 37 . 1 . 1 16 16 ARG CA C 13 56.044 0.00 . . . . . . . 37 ARG CA . 51006 1 38 . 1 . 1 16 16 ARG CB C 13 30.886 0.00 . . . . . . . 37 ARG CB . 51006 1 39 . 1 . 1 16 16 ARG N N 15 122.461 0.01 . . . . . . . 37 ARG N . 51006 1 40 . 1 . 1 17 17 TYR H H 1 8.061 0.00 . . . . . . . 38 TYR H . 51006 1 41 . 1 . 1 17 17 TYR N N 15 121.550 0.00 . . . . . . . 38 TYR N . 51006 1 42 . 1 . 1 20 20 GLN H H 1 8.096 0.00 . . . . . . . 41 GLN H . 51006 1 43 . 1 . 1 20 20 GLN CA C 13 56.117 0.00 . . . . . . . 41 GLN CA . 51006 1 44 . 1 . 1 20 20 GLN CB C 13 29.562 0.00 . . . . . . . 41 GLN CB . 51006 1 45 . 1 . 1 20 20 GLN N N 15 119.717 0.02 . . . . . . . 41 GLN N . 51006 1 46 . 1 . 1 21 21 GLY H H 1 8.420 0.00 . . . . . . . 42 GLY H . 51006 1 47 . 1 . 1 21 21 GLY CA C 13 45.161 0.00 . . . . . . . 42 GLY CA . 51006 1 48 . 1 . 1 21 21 GLY N N 15 110.189 0.03 . . . . . . . 42 GLY N . 51006 1 49 . 1 . 1 22 22 SER H H 1 8.130 0.00 . . . . . . . 43 SER H . 51006 1 50 . 1 . 1 22 22 SER CA C 13 59.980 3.53 . . . . . . . 43 SER CA . 51006 1 51 . 1 . 1 22 22 SER N N 15 116.491 0.02 . . . . . . . 43 SER N . 51006 1 52 . 1 . 1 24 24 GLY H H 1 8.342 0.00 . . . . . . . 45 GLY H . 51006 1 53 . 1 . 1 24 24 GLY N N 15 108.972 0.00 . . . . . . . 45 GLY N . 51006 1 54 . 1 . 1 26 26 ASN H H 1 8.281 0.00 . . . . . . . 47 ASN H . 51006 1 55 . 1 . 1 26 26 ASN N N 15 118.491 0.00 . . . . . . . 47 ASN N . 51006 1 56 . 1 . 1 27 27 ARG H H 1 8.121 0.00 . . . . . . . 48 ARG H . 51006 1 57 . 1 . 1 27 27 ARG CA C 13 56.092 0.00 . . . . . . . 48 ARG CA . 51006 1 58 . 1 . 1 27 27 ARG CB C 13 30.784 0.00 . . . . . . . 48 ARG CB . 51006 1 59 . 1 . 1 27 27 ARG N N 15 121.047 0.10 . . . . . . . 48 ARG N . 51006 1 60 . 1 . 1 28 28 TYR H H 1 8.029 0.00 . . . . . . . 49 TYR H . 51006 1 61 . 1 . 1 28 28 TYR CA C 13 55.566 0.00 . . . . . . . 49 TYR CA . 51006 1 62 . 1 . 1 28 28 TYR CB C 13 38.170 0.00 . . . . . . . 49 TYR CB . 51006 1 63 . 1 . 1 28 28 TYR N N 15 121.155 0.01 . . . . . . . 49 TYR N . 51006 1 64 . 1 . 1 31 31 GLN H H 1 8.449 0.00 . . . . . . . 52 GLN H . 51006 1 65 . 1 . 1 31 31 GLN CA C 13 55.376 0.00 . . . . . . . 52 GLN CA . 51006 1 66 . 1 . 1 31 31 GLN CB C 13 29.110 0.00 . . . . . . . 52 GLN CB . 51006 1 67 . 1 . 1 31 31 GLN N N 15 118.241 0.01 . . . . . . . 52 GLN N . 51006 1 68 . 1 . 1 32 32 GLY H H 1 8.328 0.00 . . . . . . . 53 GLY H . 51006 1 69 . 1 . 1 32 32 GLY CA C 13 45.231 0.00 . . . . . . . 53 GLY CA . 51006 1 70 . 1 . 1 32 32 GLY N N 15 109.946 0.02 . . . . . . . 53 GLY N . 51006 1 71 . 1 . 1 33 33 GLY H H 1 8.225 0.00 . . . . . . . 54 GLY H . 51006 1 72 . 1 . 1 33 33 GLY CA C 13 45.300 0.00 . . . . . . . 54 GLY CA . 51006 1 73 . 1 . 1 33 33 GLY N N 15 108.573 0.00 . . . . . . . 54 GLY N . 51006 1 74 . 1 . 1 34 34 THR H H 1 7.932 0.00 . . . . . . . 55 THR H . 51006 1 75 . 1 . 1 34 34 THR CA C 13 61.860 0.00 . . . . . . . 55 THR CA . 51006 1 76 . 1 . 1 34 34 THR CB C 13 69.735 0.00 . . . . . . . 55 THR CB . 51006 1 77 . 1 . 1 34 34 THR N N 15 113.159 0.03 . . . . . . . 55 THR N . 51006 1 78 . 1 . 1 36 36 GLY H H 1 8.130 0.00 . . . . . . . 57 GLY H . 51006 1 79 . 1 . 1 36 36 GLY CA C 13 45.154 0.00 . . . . . . . 57 GLY CA . 51006 1 80 . 1 . 1 36 36 GLY N N 15 110.631 0.00 . . . . . . . 57 GLY N . 51006 1 81 . 1 . 1 37 37 GLN H H 1 7.932 0.00 . . . . . . . 58 GLN H . 51006 1 82 . 1 . 1 37 37 GLN CA C 13 53.642 0.00 . . . . . . . 58 GLN CA . 51006 1 83 . 1 . 1 37 37 GLN CB C 13 28.946 0.00 . . . . . . . 58 GLN CB . 51006 1 84 . 1 . 1 37 37 GLN N N 15 120.273 0.01 . . . . . . . 58 GLN N . 51006 1 85 . 1 . 1 43 43 TRP H H 1 7.950 0.00 . . . . . . . 64 TRP H . 51006 1 86 . 1 . 1 43 43 TRP CA C 13 57.585 0.00 . . . . . . . 64 TRP CA . 51006 1 87 . 1 . 1 43 43 TRP N N 15 120.772 0.00 . . . . . . . 64 TRP N . 51006 1 88 . 1 . 1 44 44 GLY H H 1 8.180 0.00 . . . . . . . 65 GLY H . 51006 1 89 . 1 . 1 44 44 GLY CA C 13 45.196 0.00 . . . . . . . 65 GLY CA . 51006 1 90 . 1 . 1 44 44 GLY N N 15 110.646 0.01 . . . . . . . 65 GLY N . 51006 1 91 . 1 . 1 45 45 GLN H H 1 7.830 0.00 . . . . . . . 66 GLN H . 51006 1 92 . 1 . 1 45 45 GLN CA C 13 53.390 0.00 . . . . . . . 66 GLN CA . 51006 1 93 . 1 . 1 45 45 GLN CB C 13 29.366 0.00 . . . . . . . 66 GLN CB . 51006 1 94 . 1 . 1 45 45 GLN N N 15 118.600 0.01 . . . . . . . 66 GLN N . 51006 1 95 . 1 . 1 47 47 HIS H H 1 8.387 0.00 . . . . . . . 68 HIS H . 51006 1 96 . 1 . 1 47 47 HIS CA C 13 55.992 0.00 . . . . . . . 68 HIS CA . 51006 1 97 . 1 . 1 47 47 HIS CB C 13 29.514 0.00 . . . . . . . 68 HIS CB . 51006 1 98 . 1 . 1 47 47 HIS N N 15 119.936 0.00 . . . . . . . 68 HIS N . 51006 1 99 . 1 . 1 48 48 GLY H H 1 8.398 0.00 . . . . . . . 69 GLY H . 51006 1 100 . 1 . 1 48 48 GLY CA C 13 45.449 0.00 . . . . . . . 69 GLY CA . 51006 1 101 . 1 . 1 48 48 GLY N N 15 109.841 0.00 . . . . . . . 69 GLY N . 51006 1 102 . 1 . 1 49 49 GLY H H 1 8.176 0.00 . . . . . . . 70 GLY H . 51006 1 103 . 1 . 1 49 49 GLY CA C 13 45.268 0.00 . . . . . . . 70 GLY CA . 51006 1 104 . 1 . 1 49 49 GLY N N 15 108.525 0.03 . . . . . . . 70 GLY N . 51006 1 105 . 1 . 1 50 50 SER H H 1 8.074 0.00 . . . . . . . 71 SER H . 51006 1 106 . 1 . 1 50 50 SER CA C 13 58.285 0.00 . . . . . . . 71 SER CA . 51006 1 107 . 1 . 1 50 50 SER CB C 13 63.911 0.00 . . . . . . . 71 SER CB . 51006 1 108 . 1 . 1 50 50 SER N N 15 115.306 0.00 . . . . . . . 71 SER N . 51006 1 109 . 1 . 1 51 51 TRP H H 1 8.091 0.00 . . . . . . . 72 TRP H . 51006 1 110 . 1 . 1 51 51 TRP CA C 13 57.683 0.00 . . . . . . . 72 TRP CA . 51006 1 111 . 1 . 1 51 51 TRP CB C 13 29.612 0.00 . . . . . . . 72 TRP CB . 51006 1 112 . 1 . 1 51 51 TRP N N 15 122.934 0.00 . . . . . . . 72 TRP N . 51006 1 113 . 1 . 1 52 52 GLY H H 1 8.102 0.00 . . . . . . . 73 GLY H . 51006 1 114 . 1 . 1 52 52 GLY CA C 13 45.170 0.00 . . . . . . . 73 GLY CA . 51006 1 115 . 1 . 1 52 52 GLY N N 15 110.249 0.02 . . . . . . . 73 GLY N . 51006 1 116 . 1 . 1 53 53 GLN H H 1 7.934 0.00 . . . . . . . 74 GLN H . 51006 1 117 . 1 . 1 53 53 GLN CA C 13 55.872 0.00 . . . . . . . 74 GLN CA . 51006 1 118 . 1 . 1 53 53 GLN CB C 13 29.028 0.00 . . . . . . . 74 GLN CB . 51006 1 119 . 1 . 1 53 53 GLN N N 15 115.511 0.00 . . . . . . . 74 GLN N . 51006 1 120 . 1 . 1 57 57 GLY H H 1 8.145 0.00 . . . . . . . 78 GLY H . 51006 1 121 . 1 . 1 57 57 GLY N N 15 108.424 0.00 . . . . . . . 78 GLY N . 51006 1 122 . 1 . 1 58 58 SER H H 1 8.063 0.00 . . . . . . . 79 SER H . 51006 1 123 . 1 . 1 58 58 SER N N 15 119.528 0.00 . . . . . . . 79 SER N . 51006 1 124 . 1 . 1 63 63 HIS H H 1 8.543 0.00 . . . . . . . 84 HIS H . 51006 1 125 . 1 . 1 63 63 HIS CA C 13 55.657 0.00 . . . . . . . 84 HIS CA . 51006 1 126 . 1 . 1 63 63 HIS N N 15 119.528 0.01 . . . . . . . 84 HIS N . 51006 1 127 . 1 . 1 64 64 GLY H H 1 8.339 0.00 . . . . . . . 85 GLY H . 51006 1 128 . 1 . 1 64 64 GLY CA C 13 45.609 0.00 . . . . . . . 85 GLY CA . 51006 1 129 . 1 . 1 64 64 GLY N N 15 110.573 0.00 . . . . . . . 85 GLY N . 51006 1 130 . 1 . 1 73 73 THR H H 1 7.982 0.00 . . . . . . . 94 THR H . 51006 1 131 . 1 . 1 73 73 THR CA C 13 62.048 0.00 . . . . . . . 94 THR CA . 51006 1 132 . 1 . 1 73 73 THR CB C 13 69.616 0.00 . . . . . . . 94 THR CB . 51006 1 133 . 1 . 1 73 73 THR N N 15 113.031 0.08 . . . . . . . 94 THR N . 51006 1 134 . 1 . 1 74 74 HIS H H 1 8.463 0.00 . . . . . . . 95 HIS H . 51006 1 135 . 1 . 1 74 74 HIS CA C 13 55.394 0.00 . . . . . . . 95 HIS CA . 51006 1 136 . 1 . 1 74 74 HIS CB C 13 28.815 0.00 . . . . . . . 95 HIS CB . 51006 1 137 . 1 . 1 74 74 HIS N N 15 120.351 0.00 . . . . . . . 95 HIS N . 51006 1 138 . 1 . 1 75 75 ASN H H 1 8.309 0.00 . . . . . . . 96 ASN H . 51006 1 139 . 1 . 1 75 75 ASN CA C 13 53.456 0.00 . . . . . . . 96 ASN CA . 51006 1 140 . 1 . 1 75 75 ASN CB C 13 38.847 0.00 . . . . . . . 96 ASN CB . 51006 1 141 . 1 . 1 75 75 ASN N N 15 119.656 0.01 . . . . . . . 96 ASN N . 51006 1 142 . 1 . 1 76 76 GLN H H 1 8.279 0.00 . . . . . . . 97 GLN H . 51006 1 143 . 1 . 1 76 76 GLN CA C 13 56.202 0.00 . . . . . . . 97 GLN CA . 51006 1 144 . 1 . 1 76 76 GLN CB C 13 29.229 0.00 . . . . . . . 97 GLN CB . 51006 1 145 . 1 . 1 76 76 GLN N N 15 120.410 0.01 . . . . . . . 97 GLN N . 51006 1 146 . 1 . 1 77 77 TRP H H 1 8.052 0.00 . . . . . . . 98 TRP H . 51006 1 147 . 1 . 1 77 77 TRP CA C 13 57.113 0.00 . . . . . . . 98 TRP CA . 51006 1 148 . 1 . 1 77 77 TRP CB C 13 29.370 0.00 . . . . . . . 98 TRP CB . 51006 1 149 . 1 . 1 77 77 TRP N N 15 121.523 0.01 . . . . . . . 98 TRP N . 51006 1 150 . 1 . 1 78 78 ASN H H 1 8.068 0.00 . . . . . . . 99 ASN H . 51006 1 151 . 1 . 1 78 78 ASN CA C 13 52.954 0.00 . . . . . . . 99 ASN CA . 51006 1 152 . 1 . 1 78 78 ASN CB C 13 38.976 0.00 . . . . . . . 99 ASN CB . 51006 1 153 . 1 . 1 78 78 ASN N N 15 120.342 0.01 . . . . . . . 99 ASN N . 51006 1 154 . 1 . 1 79 79 LYS H H 1 7.957 0.00 . . . . . . . 100 LYS H . 51006 1 155 . 1 . 1 79 79 LYS CA C 13 54.231 0.00 . . . . . . . 100 LYS CA . 51006 1 156 . 1 . 1 79 79 LYS CB C 13 32.536 0.00 . . . . . . . 100 LYS CB . 51006 1 157 . 1 . 1 79 79 LYS N N 15 122.555 0.00 . . . . . . . 100 LYS N . 51006 1 158 . 1 . 1 81 81 SER H H 1 8.335 0.00 . . . . . . . 102 SER H . 51006 1 159 . 1 . 1 81 81 SER CA C 13 58.204 0.00 . . . . . . . 102 SER CA . 51006 1 160 . 1 . 1 81 81 SER CB C 13 64.100 0.00 . . . . . . . 102 SER CB . 51006 1 161 . 1 . 1 81 81 SER N N 15 116.693 0.00 . . . . . . . 102 SER N . 51006 1 162 . 1 . 1 82 82 LYS H H 1 8.244 0.00 . . . . . . . 103 LYS H . 51006 1 163 . 1 . 1 82 82 LYS CA C 13 54.267 0.00 . . . . . . . 103 LYS CA . 51006 1 164 . 1 . 1 82 82 LYS CB C 13 32.677 0.00 . . . . . . . 103 LYS CB . 51006 1 165 . 1 . 1 82 82 LYS N N 15 123.994 0.00 . . . . . . . 103 LYS N . 51006 1 166 . 1 . 1 84 84 LYS H H 1 8.432 0.00 . . . . . . . 105 LYS H . 51006 1 167 . 1 . 1 84 84 LYS CA C 13 56.476 0.00 . . . . . . . 105 LYS CA . 51006 1 168 . 1 . 1 84 84 LYS CB C 13 32.862 0.00 . . . . . . . 105 LYS CB . 51006 1 169 . 1 . 1 84 84 LYS N N 15 121.864 0.01 . . . . . . . 105 LYS N . 51006 1 170 . 1 . 1 85 85 THR H H 1 8.047 0.00 . . . . . . . 106 THR H . 51006 1 171 . 1 . 1 85 85 THR CA C 13 61.617 0.00 . . . . . . . 106 THR CA . 51006 1 172 . 1 . 1 85 85 THR CB C 13 70.004 0.00 . . . . . . . 106 THR CB . 51006 1 173 . 1 . 1 85 85 THR N N 15 115.110 0.01 . . . . . . . 106 THR N . 51006 1 174 . 1 . 1 86 86 ASN H H 1 8.476 0.00 . . . . . . . 107 ASN H . 51006 1 175 . 1 . 1 86 86 ASN CA C 13 53.072 0.00 . . . . . . . 107 ASN CA . 51006 1 176 . 1 . 1 86 86 ASN CB C 13 38.904 0.00 . . . . . . . 107 ASN CB . 51006 1 177 . 1 . 1 86 86 ASN N N 15 121.493 0.01 . . . . . . . 107 ASN N . 51006 1 178 . 1 . 1 87 87 LEU H H 1 8.152 0.00 . . . . . . . 108 LEU H . 51006 1 179 . 1 . 1 87 87 LEU CA C 13 55.386 0.00 . . . . . . . 108 LEU CA . 51006 1 180 . 1 . 1 87 87 LEU CB C 13 42.394 0.00 . . . . . . . 108 LEU CB . 51006 1 181 . 1 . 1 87 87 LEU N N 15 122.969 0.03 . . . . . . . 108 LEU N . 51006 1 182 . 1 . 1 88 88 LYS H H 1 8.184 0.00 . . . . . . . 109 LYS H . 51006 1 183 . 1 . 1 88 88 LYS CB C 13 33.064 0.00 . . . . . . . 109 LYS CB . 51006 1 184 . 1 . 1 88 88 LYS N N 15 121.615 0.00 . . . . . . . 109 LYS N . 51006 1 185 . 1 . 1 89 89 HIS H H 1 8.420 0.00 . . . . . . . 110 HIS H . 51006 1 186 . 1 . 1 89 89 HIS CA C 13 55.439 0.00 . . . . . . . 110 HIS CA . 51006 1 187 . 1 . 1 89 89 HIS CB C 13 29.224 0.00 . . . . . . . 110 HIS CB . 51006 1 188 . 1 . 1 89 89 HIS N N 15 120.192 0.02 . . . . . . . 110 HIS N . 51006 1 189 . 1 . 1 90 90 VAL H H 1 8.127 0.00 . . . . . . . 111 VAL H . 51006 1 190 . 1 . 1 90 90 VAL CA C 13 62.086 0.00 . . . . . . . 111 VAL CA . 51006 1 191 . 1 . 1 90 90 VAL CB C 13 32.992 0.00 . . . . . . . 111 VAL CB . 51006 1 192 . 1 . 1 90 90 VAL N N 15 122.358 0.01 . . . . . . . 111 VAL N . 51006 1 193 . 1 . 1 91 91 ALA H H 1 8.385 0.00 . . . . . . . 112 ALA H . 51006 1 194 . 1 . 1 91 91 ALA CA C 13 52.650 0.00 . . . . . . . 112 ALA CA . 51006 1 195 . 1 . 1 91 91 ALA N N 15 128.089 0.01 . . . . . . . 112 ALA N . 51006 1 196 . 1 . 1 92 92 GLY H H 1 8.285 0.00 . . . . . . . 113 GLY H . 51006 1 197 . 1 . 1 92 92 GLY CA C 13 45.193 0.00 . . . . . . . 113 GLY CA . 51006 1 198 . 1 . 1 92 92 GLY N N 15 108.505 0.02 . . . . . . . 113 GLY N . 51006 1 199 . 1 . 1 93 93 ALA H H 1 8.091 0.00 . . . . . . . 114 ALA H . 51006 1 200 . 1 . 1 93 93 ALA CA C 13 52.609 0.00 . . . . . . . 114 ALA CA . 51006 1 201 . 1 . 1 93 93 ALA CB C 13 19.415 0.00 . . . . . . . 114 ALA CB . 51006 1 202 . 1 . 1 93 93 ALA N N 15 123.747 0.02 . . . . . . . 114 ALA N . 51006 1 203 . 1 . 1 94 94 ALA H H 1 8.212 0.00 . . . . . . . 115 ALA H . 51006 1 204 . 1 . 1 94 94 ALA CA C 13 52.584 0.00 . . . . . . . 115 ALA CA . 51006 1 205 . 1 . 1 94 94 ALA CB C 13 19.293 0.00 . . . . . . . 115 ALA CB . 51006 1 206 . 1 . 1 94 94 ALA N N 15 123.162 0.01 . . . . . . . 115 ALA N . 51006 1 207 . 1 . 1 95 95 ALA H H 1 8.145 0.01 . . . . . . . 116 ALA H . 51006 1 208 . 1 . 1 95 95 ALA CA C 13 52.635 0.06 . . . . . . . 116 ALA CA . 51006 1 209 . 1 . 1 95 95 ALA CB C 13 19.288 0.00 . . . . . . . 116 ALA CB . 51006 1 210 . 1 . 1 95 95 ALA N N 15 123.163 0.02 . . . . . . . 116 ALA N . 51006 1 211 . 1 . 1 96 96 ALA H H 1 8.129 0.00 . . . . . . . 117 ALA H . 51006 1 212 . 1 . 1 96 96 ALA CB C 13 19.274 0.00 . . . . . . . 117 ALA CB . 51006 1 213 . 1 . 1 96 96 ALA N N 15 123.186 0.00 . . . . . . . 117 ALA N . 51006 1 214 . 1 . 1 97 97 GLY H H 1 8.204 0.00 . . . . . . . 118 GLY H . 51006 1 215 . 1 . 1 97 97 GLY CA C 13 45.185 0.00 . . . . . . . 118 GLY CA . 51006 1 216 . 1 . 1 97 97 GLY N N 15 107.747 0.00 . . . . . . . 118 GLY N . 51006 1 217 . 1 . 1 98 98 ALA H H 1 8.008 0.00 . . . . . . . 119 ALA H . 51006 1 218 . 1 . 1 98 98 ALA CA C 13 52.444 0.00 . . . . . . . 119 ALA CA . 51006 1 219 . 1 . 1 98 98 ALA CB C 13 19.494 0.00 . . . . . . . 119 ALA CB . 51006 1 220 . 1 . 1 98 98 ALA N N 15 123.421 0.01 . . . . . . . 119 ALA N . 51006 1 221 . 1 . 1 99 99 VAL H H 1 8.045 0.00 . . . . . . . 120 VAL H . 51006 1 222 . 1 . 1 99 99 VAL CA C 13 62.400 0.00 . . . . . . . 120 VAL CA . 51006 1 223 . 1 . 1 99 99 VAL CB C 13 32.751 0.00 . . . . . . . 120 VAL CB . 51006 1 224 . 1 . 1 99 99 VAL N N 15 119.378 0.01 . . . . . . . 120 VAL N . 51006 1 225 . 1 . 1 100 100 VAL H H 1 8.163 0.00 . . . . . . . 121 VAL H . 51006 1 226 . 1 . 1 100 100 VAL CA C 13 62.475 0.00 . . . . . . . 121 VAL CA . 51006 1 227 . 1 . 1 100 100 VAL CB C 13 32.662 0.00 . . . . . . . 121 VAL CB . 51006 1 228 . 1 . 1 100 100 VAL N N 15 124.131 0.02 . . . . . . . 121 VAL N . 51006 1 229 . 1 . 1 101 101 GLY H H 1 8.455 0.00 . . . . . . . 122 GLY H . 51006 1 230 . 1 . 1 101 101 GLY CA C 13 45.467 0.00 . . . . . . . 122 GLY CA . 51006 1 231 . 1 . 1 101 101 GLY N N 15 112.910 0.00 . . . . . . . 122 GLY N . 51006 1 232 . 1 . 1 102 102 GLY H H 1 8.200 0.00 . . . . . . . 123 GLY H . 51006 1 233 . 1 . 1 102 102 GLY CA C 13 45.327 0.00 . . . . . . . 123 GLY CA . 51006 1 234 . 1 . 1 102 102 GLY N N 15 108.341 0.04 . . . . . . . 123 GLY N . 51006 1 235 . 1 . 1 103 103 LEU H H 1 8.137 0.00 . . . . . . . 124 LEU H . 51006 1 236 . 1 . 1 103 103 LEU CA C 13 56.431 0.00 . . . . . . . 124 LEU CA . 51006 1 237 . 1 . 1 103 103 LEU CB C 13 42.477 0.00 . . . . . . . 124 LEU CB . 51006 1 238 . 1 . 1 103 103 LEU N N 15 121.628 0.00 . . . . . . . 124 LEU N . 51006 1 239 . 1 . 1 104 104 GLY H H 1 8.448 0.00 . . . . . . . 125 GLY H . 51006 1 240 . 1 . 1 104 104 GLY CA C 13 46.141 0.00 . . . . . . . 125 GLY CA . 51006 1 241 . 1 . 1 104 104 GLY N N 15 109.533 0.00 . . . . . . . 125 GLY N . 51006 1 242 . 1 . 1 105 105 GLY H H 1 8.276 0.00 . . . . . . . 126 GLY H . 51006 1 243 . 1 . 1 105 105 GLY CA C 13 45.183 0.00 . . . . . . . 126 GLY CA . 51006 1 244 . 1 . 1 105 105 GLY N N 15 108.881 0.00 . . . . . . . 126 GLY N . 51006 1 245 . 1 . 1 106 106 TYR H H 1 7.721 0.00 . . . . . . . 127 TYR H . 51006 1 246 . 1 . 1 106 106 TYR CA C 13 58.317 0.00 . . . . . . . 127 TYR CA . 51006 1 247 . 1 . 1 106 106 TYR CB C 13 40.126 0.00 . . . . . . . 127 TYR CB . 51006 1 248 . 1 . 1 106 106 TYR N N 15 117.771 0.01 . . . . . . . 127 TYR N . 51006 1 249 . 1 . 1 107 107 MET H H 1 9.035 0.00 . . . . . . . 128 MET H . 51006 1 250 . 1 . 1 107 107 MET CA C 13 53.996 0.00 . . . . . . . 128 MET CA . 51006 1 251 . 1 . 1 107 107 MET CB C 13 34.419 0.00 . . . . . . . 128 MET CB . 51006 1 252 . 1 . 1 107 107 MET N N 15 121.216 0.00 . . . . . . . 128 MET N . 51006 1 253 . 1 . 1 108 108 LEU H H 1 7.972 0.00 . . . . . . . 129 LEU H . 51006 1 254 . 1 . 1 108 108 LEU CA C 13 53.738 0.00 . . . . . . . 129 LEU CA . 51006 1 255 . 1 . 1 108 108 LEU CB C 13 43.792 0.00 . . . . . . . 129 LEU CB . 51006 1 256 . 1 . 1 108 108 LEU N N 15 121.202 0.04 . . . . . . . 129 LEU N . 51006 1 257 . 1 . 1 110 110 SER H H 1 8.192 0.00 . . . . . . . 131 SER H . 51006 1 258 . 1 . 1 110 110 SER CA C 13 58.642 0.00 . . . . . . . 131 SER CA . 51006 1 259 . 1 . 1 110 110 SER CB C 13 64.103 0.00 . . . . . . . 131 SER CB . 51006 1 260 . 1 . 1 110 110 SER N N 15 113.891 0.00 . . . . . . . 131 SER N . 51006 1 261 . 1 . 1 111 111 ALA H H 1 8.601 0.00 . . . . . . . 132 ALA H . 51006 1 262 . 1 . 1 111 111 ALA CA C 13 53.040 0.00 . . . . . . . 132 ALA CA . 51006 1 263 . 1 . 1 111 111 ALA CB C 13 18.444 0.00 . . . . . . . 132 ALA CB . 51006 1 264 . 1 . 1 111 111 ALA N N 15 125.266 0.00 . . . . . . . 132 ALA N . 51006 1 265 . 1 . 1 112 112 MET H H 1 8.713 0.00 . . . . . . . 133 MET H . 51006 1 266 . 1 . 1 112 112 MET CA C 13 54.135 0.00 . . . . . . . 133 MET CA . 51006 1 267 . 1 . 1 112 112 MET N N 15 121.208 0.00 . . . . . . . 133 MET N . 51006 1 268 . 1 . 1 113 113 SER H H 1 8.322 0.00 . . . . . . . 134 SER H . 51006 1 269 . 1 . 1 113 113 SER CA C 13 58.717 0.00 . . . . . . . 134 SER CA . 51006 1 270 . 1 . 1 113 113 SER CB C 13 63.225 0.00 . . . . . . . 134 SER CB . 51006 1 271 . 1 . 1 113 113 SER N N 15 115.952 0.04 . . . . . . . 134 SER N . 51006 1 272 . 1 . 1 114 114 ARG H H 1 8.535 0.00 . . . . . . . 135 ARG H . 51006 1 273 . 1 . 1 114 114 ARG CA C 13 54.878 0.00 . . . . . . . 135 ARG CA . 51006 1 274 . 1 . 1 114 114 ARG N N 15 126.013 0.00 . . . . . . . 135 ARG N . 51006 1 275 . 1 . 1 116 116 MET H H 1 8.635 0.00 . . . . . . . 137 MET H . 51006 1 276 . 1 . 1 116 116 MET CA C 13 54.230 0.00 . . . . . . . 137 MET CA . 51006 1 277 . 1 . 1 116 116 MET CB C 13 30.524 0.00 . . . . . . . 137 MET CB . 51006 1 278 . 1 . 1 116 116 MET N N 15 122.140 0.02 . . . . . . . 137 MET N . 51006 1 279 . 1 . 1 117 117 ILE H H 1 6.574 0.00 . . . . . . . 138 ILE H . 51006 1 280 . 1 . 1 117 117 ILE CA C 13 59.642 0.00 . . . . . . . 138 ILE CA . 51006 1 281 . 1 . 1 117 117 ILE CB C 13 39.143 0.00 . . . . . . . 138 ILE CB . 51006 1 282 . 1 . 1 117 117 ILE N N 15 124.017 0.01 . . . . . . . 138 ILE N . 51006 1 283 . 1 . 1 119 119 PHE H H 1 10.323 0.00 . . . . . . . 140 PHE H . 51006 1 284 . 1 . 1 119 119 PHE CB C 13 40.776 0.00 . . . . . . . 140 PHE CB . 51006 1 285 . 1 . 1 119 119 PHE N N 15 124.874 0.00 . . . . . . . 140 PHE N . 51006 1 286 . 1 . 1 120 120 GLY H H 1 8.908 0.00 . . . . . . . 141 GLY H . 51006 1 287 . 1 . 1 120 120 GLY CA C 13 45.988 0.00 . . . . . . . 141 GLY CA . 51006 1 288 . 1 . 1 120 120 GLY N N 15 108.782 0.01 . . . . . . . 141 GLY N . 51006 1 289 . 1 . 1 121 121 ASN H H 1 7.201 0.00 . . . . . . . 142 ASN H . 51006 1 290 . 1 . 1 121 121 ASN CA C 13 52.681 0.00 . . . . . . . 142 ASN CA . 51006 1 291 . 1 . 1 121 121 ASN N N 15 114.681 0.00 . . . . . . . 142 ASN N . 51006 1 292 . 1 . 1 122 122 ASP H H 1 8.949 0.00 . . . . . . . 143 ASP H . 51006 1 293 . 1 . 1 122 122 ASP CA C 13 58.000 0.00 . . . . . . . 143 ASP CA . 51006 1 294 . 1 . 1 122 122 ASP CB C 13 41.243 0.00 . . . . . . . 143 ASP CB . 51006 1 295 . 1 . 1 122 122 ASP N N 15 123.494 0.02 . . . . . . . 143 ASP N . 51006 1 296 . 1 . 1 125 125 ASP H H 1 7.967 0.00 . . . . . . . 146 ASP H . 51006 1 297 . 1 . 1 125 125 ASP CA C 13 58.643 0.00 . . . . . . . 146 ASP CA . 51006 1 298 . 1 . 1 125 125 ASP CB C 13 40.566 0.00 . . . . . . . 146 ASP CB . 51006 1 299 . 1 . 1 125 125 ASP N N 15 118.955 0.01 . . . . . . . 146 ASP N . 51006 1 300 . 1 . 1 126 126 ARG H H 1 8.002 0.00 . . . . . . . 147 ARG H . 51006 1 301 . 1 . 1 126 126 ARG CA C 13 59.707 0.00 . . . . . . . 147 ARG CA . 51006 1 302 . 1 . 1 126 126 ARG CB C 13 29.681 0.00 . . . . . . . 147 ARG CB . 51006 1 303 . 1 . 1 126 126 ARG N N 15 119.827 0.03 . . . . . . . 147 ARG N . 51006 1 304 . 1 . 1 127 127 TYR H H 1 8.251 0.00 . . . . . . . 148 TYR H . 51006 1 305 . 1 . 1 127 127 TYR CA C 13 62.427 0.00 . . . . . . . 148 TYR CA . 51006 1 306 . 1 . 1 127 127 TYR N N 15 120.901 0.00 . . . . . . . 148 TYR N . 51006 1 307 . 1 . 1 128 128 TYR H H 1 8.936 0.00 . . . . . . . 149 TYR H . 51006 1 308 . 1 . 1 128 128 TYR CA C 13 62.990 0.00 . . . . . . . 149 TYR CA . 51006 1 309 . 1 . 1 128 128 TYR CB C 13 38.355 0.00 . . . . . . . 149 TYR CB . 51006 1 310 . 1 . 1 128 128 TYR N N 15 120.369 0.00 . . . . . . . 149 TYR N . 51006 1 311 . 1 . 1 129 129 ARG H H 1 7.883 0.00 . . . . . . . 150 ARG H . 51006 1 312 . 1 . 1 129 129 ARG CA C 13 59.994 0.00 . . . . . . . 150 ARG CA . 51006 1 313 . 1 . 1 129 129 ARG CB C 13 29.774 0.00 . . . . . . . 150 ARG CB . 51006 1 314 . 1 . 1 129 129 ARG N N 15 117.245 0.01 . . . . . . . 150 ARG N . 51006 1 315 . 1 . 1 130 130 GLU H H 1 7.838 0.00 . . . . . . . 151 GLU H . 51006 1 316 . 1 . 1 130 130 GLU CA C 13 57.924 0.00 . . . . . . . 151 GLU CA . 51006 1 317 . 1 . 1 130 130 GLU CB C 13 29.727 0.00 . . . . . . . 151 GLU CB . 51006 1 318 . 1 . 1 130 130 GLU N N 15 115.407 0.01 . . . . . . . 151 GLU N . 51006 1 319 . 1 . 1 131 131 ASN H H 1 7.494 0.00 . . . . . . . 152 ASN H . 51006 1 320 . 1 . 1 131 131 ASN CA C 13 54.964 0.00 . . . . . . . 152 ASN CA . 51006 1 321 . 1 . 1 131 131 ASN CB C 13 41.299 0.00 . . . . . . . 152 ASN CB . 51006 1 322 . 1 . 1 131 131 ASN N N 15 115.103 0.00 . . . . . . . 152 ASN N . 51006 1 323 . 1 . 1 132 132 MET H H 1 7.788 0.00 . . . . . . . 153 MET H . 51006 1 324 . 1 . 1 132 132 MET CA C 13 59.350 0.00 . . . . . . . 153 MET CA . 51006 1 325 . 1 . 1 132 132 MET CB C 13 30.683 0.00 . . . . . . . 153 MET CB . 51006 1 326 . 1 . 1 132 132 MET N N 15 118.323 0.01 . . . . . . . 153 MET N . 51006 1 327 . 1 . 1 133 133 TYR H H 1 7.542 0.00 . . . . . . . 154 TYR H . 51006 1 328 . 1 . 1 133 133 TYR CA C 13 59.489 0.00 . . . . . . . 154 TYR CA . 51006 1 329 . 1 . 1 133 133 TYR CB C 13 36.293 0.00 . . . . . . . 154 TYR CB . 51006 1 330 . 1 . 1 133 133 TYR N N 15 116.361 0.00 . . . . . . . 154 TYR N . 51006 1 331 . 1 . 1 134 134 ARG H H 1 7.490 0.00 . . . . . . . 155 ARG H . 51006 1 332 . 1 . 1 134 134 ARG CA C 13 56.455 0.00 . . . . . . . 155 ARG CA . 51006 1 333 . 1 . 1 134 134 ARG CB C 13 30.715 0.00 . . . . . . . 155 ARG CB . 51006 1 334 . 1 . 1 134 134 ARG N N 15 118.359 0.00 . . . . . . . 155 ARG N . 51006 1 335 . 1 . 1 135 135 TYR H H 1 7.396 0.00 . . . . . . . 156 TYR H . 51006 1 336 . 1 . 1 135 135 TYR CA C 13 52.939 0.00 . . . . . . . 156 TYR CA . 51006 1 337 . 1 . 1 135 135 TYR CB C 13 34.897 0.00 . . . . . . . 156 TYR CB . 51006 1 338 . 1 . 1 135 135 TYR N N 15 121.123 0.02 . . . . . . . 156 TYR N . 51006 1 339 . 1 . 1 137 137 ASN H H 1 8.513 0.00 . . . . . . . 158 ASN H . 51006 1 340 . 1 . 1 137 137 ASN CA C 13 52.045 0.00 . . . . . . . 158 ASN CA . 51006 1 341 . 1 . 1 137 137 ASN CB C 13 38.249 0.00 . . . . . . . 158 ASN CB . 51006 1 342 . 1 . 1 137 137 ASN N N 15 116.200 0.02 . . . . . . . 158 ASN N . 51006 1 343 . 1 . 1 138 138 GLN H H 1 7.254 0.00 . . . . . . . 159 GLN H . 51006 1 344 . 1 . 1 138 138 GLN CA C 13 54.344 0.00 . . . . . . . 159 GLN CA . 51006 1 345 . 1 . 1 138 138 GLN CB C 13 33.482 0.00 . . . . . . . 159 GLN CB . 51006 1 346 . 1 . 1 138 138 GLN N N 15 114.400 0.02 . . . . . . . 159 GLN N . 51006 1 347 . 1 . 1 139 139 VAL H H 1 8.386 0.00 . . . . . . . 160 VAL H . 51006 1 348 . 1 . 1 139 139 VAL CA C 13 58.764 0.00 . . . . . . . 160 VAL CA . 51006 1 349 . 1 . 1 139 139 VAL CB C 13 33.394 0.00 . . . . . . . 160 VAL CB . 51006 1 350 . 1 . 1 139 139 VAL N N 15 112.562 0.02 . . . . . . . 160 VAL N . 51006 1 351 . 1 . 1 140 140 TYR H H 1 8.406 0.00 . . . . . . . 161 TYR H . 51006 1 352 . 1 . 1 140 140 TYR CA C 13 56.884 0.00 . . . . . . . 161 TYR CA . 51006 1 353 . 1 . 1 140 140 TYR CB C 13 41.965 0.00 . . . . . . . 161 TYR CB . 51006 1 354 . 1 . 1 140 140 TYR N N 15 121.297 0.02 . . . . . . . 161 TYR N . 51006 1 355 . 1 . 1 141 141 TYR H H 1 8.508 0.00 . . . . . . . 162 TYR H . 51006 1 356 . 1 . 1 141 141 TYR CA C 13 56.017 0.00 . . . . . . . 162 TYR CA . 51006 1 357 . 1 . 1 141 141 TYR CB C 13 40.109 0.00 . . . . . . . 162 TYR CB . 51006 1 358 . 1 . 1 141 141 TYR N N 15 111.100 0.00 . . . . . . . 162 TYR N . 51006 1 359 . 1 . 1 142 142 ARG H H 1 8.078 0.00 . . . . . . . 163 ARG H . 51006 1 360 . 1 . 1 142 142 ARG CA C 13 55.936 0.00 . . . . . . . 163 ARG CA . 51006 1 361 . 1 . 1 142 142 ARG CB C 13 31.081 0.00 . . . . . . . 163 ARG CB . 51006 1 362 . 1 . 1 142 142 ARG N N 15 122.250 0.00 . . . . . . . 163 ARG N . 51006 1 363 . 1 . 1 144 144 VAL H H 1 8.314 0.00 . . . . . . . 165 VAL H . 51006 1 364 . 1 . 1 144 144 VAL CA C 13 63.450 0.00 . . . . . . . 165 VAL CA . 51006 1 365 . 1 . 1 144 144 VAL CB C 13 32.083 0.00 . . . . . . . 165 VAL CB . 51006 1 366 . 1 . 1 144 144 VAL N N 15 109.163 0.01 . . . . . . . 165 VAL N . 51006 1 367 . 1 . 1 148 148 SER H H 1 8.079 0.00 . . . . . . . 169 SER H . 51006 1 368 . 1 . 1 148 148 SER CA C 13 58.266 0.00 . . . . . . . 169 SER CA . 51006 1 369 . 1 . 1 148 148 SER CB C 13 63.855 0.00 . . . . . . . 169 SER CB . 51006 1 370 . 1 . 1 148 148 SER N N 15 116.269 0.02 . . . . . . . 169 SER N . 51006 1 371 . 1 . 1 149 149 ASN H H 1 8.075 0.00 . . . . . . . 170 ASN H . 51006 1 372 . 1 . 1 149 149 ASN CB C 13 40.925 0.00 . . . . . . . 170 ASN CB . 51006 1 373 . 1 . 1 149 149 ASN N N 15 122.274 0.00 . . . . . . . 170 ASN N . 51006 1 374 . 1 . 1 150 150 GLN H H 1 8.608 0.00 . . . . . . . 171 GLN H . 51006 1 375 . 1 . 1 150 150 GLN CA C 13 59.176 0.00 . . . . . . . 171 GLN CA . 51006 1 376 . 1 . 1 150 150 GLN CB C 13 29.274 0.00 . . . . . . . 171 GLN CB . 51006 1 377 . 1 . 1 150 150 GLN N N 15 120.037 0.01 . . . . . . . 171 GLN N . 51006 1 378 . 1 . 1 151 151 ASN H H 1 8.349 0.00 . . . . . . . 172 ASN H . 51006 1 379 . 1 . 1 151 151 ASN CA C 13 56.700 0.00 . . . . . . . 172 ASN CA . 51006 1 380 . 1 . 1 151 151 ASN CB C 13 37.865 0.00 . . . . . . . 172 ASN CB . 51006 1 381 . 1 . 1 151 151 ASN N N 15 117.359 0.01 . . . . . . . 172 ASN N . 51006 1 382 . 1 . 1 152 152 ASN H H 1 8.515 0.00 . . . . . . . 173 ASN H . 51006 1 383 . 1 . 1 152 152 ASN CA C 13 56.249 0.00 . . . . . . . 173 ASN CA . 51006 1 384 . 1 . 1 152 152 ASN CB C 13 38.130 0.00 . . . . . . . 173 ASN CB . 51006 1 385 . 1 . 1 152 152 ASN N N 15 118.446 0.05 . . . . . . . 173 ASN N . 51006 1 386 . 1 . 1 156 156 ASP H H 1 7.505 0.00 . . . . . . . 177 ASP H . 51006 1 387 . 1 . 1 156 156 ASP CA C 13 57.343 0.00 . . . . . . . 177 ASP CA . 51006 1 388 . 1 . 1 156 156 ASP CB C 13 41.366 0.00 . . . . . . . 177 ASP CB . 51006 1 389 . 1 . 1 156 156 ASP N N 15 118.674 0.01 . . . . . . . 177 ASP N . 51006 1 390 . 1 . 1 157 157 CYS H H 1 8.131 0.00 . . . . . . . 178 CYS H . 51006 1 391 . 1 . 1 157 157 CYS CA C 13 58.749 0.00 . . . . . . . 178 CYS CA . 51006 1 392 . 1 . 1 157 157 CYS CB C 13 41.025 0.00 . . . . . . . 178 CYS CB . 51006 1 393 . 1 . 1 157 157 CYS N N 15 119.203 0.01 . . . . . . . 178 CYS N . 51006 1 394 . 1 . 1 158 158 VAL H H 1 9.133 0.00 . . . . . . . 179 VAL H . 51006 1 395 . 1 . 1 158 158 VAL CA C 13 66.343 0.00 . . . . . . . 179 VAL CA . 51006 1 396 . 1 . 1 158 158 VAL CB C 13 32.003 0.00 . . . . . . . 179 VAL CB . 51006 1 397 . 1 . 1 158 158 VAL N N 15 124.412 0.01 . . . . . . . 179 VAL N . 51006 1 398 . 1 . 1 159 159 ASN H H 1 7.588 0.00 . . . . . . . 180 ASN H . 51006 1 399 . 1 . 1 159 159 ASN CA C 13 56.881 0.00 . . . . . . . 180 ASN CA . 51006 1 400 . 1 . 1 159 159 ASN CB C 13 39.036 0.00 . . . . . . . 180 ASN CB . 51006 1 401 . 1 . 1 159 159 ASN N N 15 116.324 0.00 . . . . . . . 180 ASN N . 51006 1 402 . 1 . 1 160 160 ILE H H 1 8.732 0.00 . . . . . . . 181 ILE H . 51006 1 403 . 1 . 1 160 160 ILE CA C 13 62.513 0.00 . . . . . . . 181 ILE CA . 51006 1 404 . 1 . 1 160 160 ILE CB C 13 36.593 0.00 . . . . . . . 181 ILE CB . 51006 1 405 . 1 . 1 160 160 ILE N N 15 118.415 0.01 . . . . . . . 181 ILE N . 51006 1 406 . 1 . 1 161 161 THR H H 1 8.083 0.00 . . . . . . . 182 THR H . 51006 1 407 . 1 . 1 161 161 THR CA C 13 68.906 0.00 . . . . . . . 182 THR CA . 51006 1 408 . 1 . 1 161 161 THR CB C 13 69.951 0.00 . . . . . . . 182 THR CB . 51006 1 409 . 1 . 1 161 161 THR N N 15 117.964 0.01 . . . . . . . 182 THR N . 51006 1 410 . 1 . 1 162 162 ILE H H 1 8.450 0.00 . . . . . . . 183 ILE H . 51006 1 411 . 1 . 1 162 162 ILE CA C 13 55.427 0.00 . . . . . . . 183 ILE CA . 51006 1 412 . 1 . 1 162 162 ILE CB C 13 36.717 0.00 . . . . . . . 183 ILE CB . 51006 1 413 . 1 . 1 162 162 ILE N N 15 121.112 0.01 . . . . . . . 183 ILE N . 51006 1 414 . 1 . 1 163 163 LYS H H 1 8.016 0.00 . . . . . . . 184 LYS H . 51006 1 415 . 1 . 1 163 163 LYS N N 15 122.832 0.00 . . . . . . . 184 LYS N . 51006 1 416 . 1 . 1 164 164 GLN H H 1 8.343 0.00 . . . . . . . 185 GLN H . 51006 1 417 . 1 . 1 164 164 GLN CA C 13 58.281 0.00 . . . . . . . 185 GLN CA . 51006 1 418 . 1 . 1 164 164 GLN CB C 13 28.352 0.00 . . . . . . . 185 GLN CB . 51006 1 419 . 1 . 1 164 164 GLN N N 15 116.454 0.01 . . . . . . . 185 GLN N . 51006 1 420 . 1 . 1 165 165 HIS H H 1 8.328 0.06 . . . . . . . 186 HIS H . 51006 1 421 . 1 . 1 165 165 HIS CA C 13 60.125 0.00 . . . . . . . 186 HIS CA . 51006 1 422 . 1 . 1 165 165 HIS CB C 13 30.621 0.00 . . . . . . . 186 HIS CB . 51006 1 423 . 1 . 1 165 165 HIS N N 15 119.958 1.06 . . . . . . . 186 HIS N . 51006 1 424 . 1 . 1 166 166 ALA H H 1 8.897 0.03 . . . . . . . 187 ALA H . 51006 1 425 . 1 . 1 166 166 ALA CA C 13 55.405 0.00 . . . . . . . 187 ALA CA . 51006 1 426 . 1 . 1 166 166 ALA CB C 13 17.876 0.00 . . . . . . . 187 ALA CB . 51006 1 427 . 1 . 1 166 166 ALA N N 15 121.232 0.01 . . . . . . . 187 ALA N . 51006 1 428 . 1 . 1 167 167 ALA H H 1 8.068 0.00 . . . . . . . 188 ALA H . 51006 1 429 . 1 . 1 167 167 ALA N N 15 121.194 0.00 . . . . . . . 188 ALA N . 51006 1 430 . 1 . 1 168 168 ALA H H 1 8.067 0.00 . . . . . . . 189 ALA H . 51006 1 431 . 1 . 1 168 168 ALA CB C 13 18.119 0.00 . . . . . . . 189 ALA CB . 51006 1 432 . 1 . 1 168 168 ALA N N 15 121.198 0.00 . . . . . . . 189 ALA N . 51006 1 433 . 1 . 1 169 169 ALA H H 1 7.855 0.00 . . . . . . . 190 ALA H . 51006 1 434 . 1 . 1 169 169 ALA CA C 13 55.113 0.00 . . . . . . . 190 ALA CA . 51006 1 435 . 1 . 1 169 169 ALA CB C 13 17.982 0.00 . . . . . . . 190 ALA CB . 51006 1 436 . 1 . 1 169 169 ALA N N 15 121.703 0.01 . . . . . . . 190 ALA N . 51006 1 437 . 1 . 1 170 170 ALA H H 1 7.886 0.02 . . . . . . . 191 ALA H . 51006 1 438 . 1 . 1 170 170 ALA CA C 13 54.771 0.00 . . . . . . . 191 ALA CA . 51006 1 439 . 1 . 1 170 170 ALA CB C 13 18.010 0.00 . . . . . . . 191 ALA CB . 51006 1 440 . 1 . 1 170 170 ALA N N 15 122.090 0.26 . . . . . . . 191 ALA N . 51006 1 441 . 1 . 1 171 171 ALA H H 1 7.598 0.00 . . . . . . . 192 ALA H . 51006 1 442 . 1 . 1 171 171 ALA CA C 13 54.419 0.00 . . . . . . . 192 ALA CA . 51006 1 443 . 1 . 1 171 171 ALA CB C 13 18.050 0.00 . . . . . . . 192 ALA CB . 51006 1 444 . 1 . 1 171 171 ALA N N 15 120.340 0.00 . . . . . . . 192 ALA N . 51006 1 445 . 1 . 1 172 172 LYS H H 1 7.416 0.00 . . . . . . . 193 LYS H . 51006 1 446 . 1 . 1 172 172 LYS CA C 13 55.587 0.00 . . . . . . . 193 LYS CA . 51006 1 447 . 1 . 1 172 172 LYS CB C 13 33.018 0.00 . . . . . . . 193 LYS CB . 51006 1 448 . 1 . 1 172 172 LYS N N 15 115.423 0.00 . . . . . . . 193 LYS N . 51006 1 449 . 1 . 1 173 173 GLY H H 1 7.847 0.00 . . . . . . . 194 GLY H . 51006 1 450 . 1 . 1 173 173 GLY CA C 13 45.683 0.00 . . . . . . . 194 GLY CA . 51006 1 451 . 1 . 1 173 173 GLY N N 15 108.415 0.00 . . . . . . . 194 GLY N . 51006 1 452 . 1 . 1 174 174 GLU H H 1 7.838 0.00 . . . . . . . 195 GLU H . 51006 1 453 . 1 . 1 174 174 GLU CA C 13 55.212 0.00 . . . . . . . 195 GLU CA . 51006 1 454 . 1 . 1 174 174 GLU CB C 13 30.616 0.00 . . . . . . . 195 GLU CB . 51006 1 455 . 1 . 1 174 174 GLU N N 15 120.312 0.03 . . . . . . . 195 GLU N . 51006 1 456 . 1 . 1 176 176 PHE H H 1 8.463 0.10 . . . . . . . 197 PHE H . 51006 1 457 . 1 . 1 176 176 PHE CA C 13 54.798 2.14 . . . . . . . 197 PHE CA . 51006 1 458 . 1 . 1 176 176 PHE CB C 13 40.701 0.14 . . . . . . . 197 PHE CB . 51006 1 459 . 1 . 1 176 176 PHE N N 15 121.194 0.52 . . . . . . . 197 PHE N . 51006 1 460 . 1 . 1 177 177 THR H H 1 9.473 0.00 . . . . . . . 198 THR H . 51006 1 461 . 1 . 1 177 177 THR CA C 13 60.692 0.00 . . . . . . . 198 THR CA . 51006 1 462 . 1 . 1 177 177 THR CB C 13 72.293 0.00 . . . . . . . 198 THR CB . 51006 1 463 . 1 . 1 177 177 THR N N 15 115.193 0.02 . . . . . . . 198 THR N . 51006 1 464 . 1 . 1 178 178 GLU H H 1 9.074 0.00 . . . . . . . 199 GLU H . 51006 1 465 . 1 . 1 178 178 GLU CA C 13 59.961 0.00 . . . . . . . 199 GLU CA . 51006 1 466 . 1 . 1 178 178 GLU CB C 13 28.749 0.00 . . . . . . . 199 GLU CB . 51006 1 467 . 1 . 1 178 178 GLU N N 15 120.013 0.00 . . . . . . . 199 GLU N . 51006 1 468 . 1 . 1 179 179 THR H H 1 7.904 0.00 . . . . . . . 200 THR H . 51006 1 469 . 1 . 1 179 179 THR CA C 13 66.959 0.00 . . . . . . . 200 THR CA . 51006 1 470 . 1 . 1 179 179 THR CB C 13 68.735 0.00 . . . . . . . 200 THR CB . 51006 1 471 . 1 . 1 179 179 THR N N 15 116.182 0.02 . . . . . . . 200 THR N . 51006 1 472 . 1 . 1 180 180 ASP H H 1 7.524 0.00 . . . . . . . 201 ASP H . 51006 1 473 . 1 . 1 180 180 ASP CA C 13 58.188 0.00 . . . . . . . 201 ASP CA . 51006 1 474 . 1 . 1 180 180 ASP CB C 13 41.872 0.00 . . . . . . . 201 ASP CB . 51006 1 475 . 1 . 1 180 180 ASP N N 15 119.854 0.01 . . . . . . . 201 ASP N . 51006 1 476 . 1 . 1 181 181 VAL H H 1 8.214 0.00 . . . . . . . 202 VAL H . 51006 1 477 . 1 . 1 181 181 VAL CA C 13 68.028 0.00 . . . . . . . 202 VAL CA . 51006 1 478 . 1 . 1 181 181 VAL CB C 13 31.263 0.00 . . . . . . . 202 VAL CB . 51006 1 479 . 1 . 1 181 181 VAL N N 15 119.732 0.03 . . . . . . . 202 VAL N . 51006 1 480 . 1 . 1 182 182 LYS H H 1 7.775 0.00 . . . . . . . 203 LYS H . 51006 1 481 . 1 . 1 182 182 LYS CA C 13 59.620 0.00 . . . . . . . 203 LYS CA . 51006 1 482 . 1 . 1 182 182 LYS CB C 13 32.004 0.00 . . . . . . . 203 LYS CB . 51006 1 483 . 1 . 1 182 182 LYS N N 15 119.225 0.01 . . . . . . . 203 LYS N . 51006 1 484 . 1 . 1 183 183 MET H H 1 8.146 0.00 . . . . . . . 204 MET H . 51006 1 485 . 1 . 1 183 183 MET CA C 13 59.738 0.00 . . . . . . . 204 MET CA . 51006 1 486 . 1 . 1 183 183 MET CB C 13 32.870 0.00 . . . . . . . 204 MET CB . 51006 1 487 . 1 . 1 183 183 MET N N 15 118.389 0.01 . . . . . . . 204 MET N . 51006 1 488 . 1 . 1 184 184 MET H H 1 8.713 0.00 . . . . . . . 205 MET H . 51006 1 489 . 1 . 1 184 184 MET CA C 13 59.942 0.00 . . . . . . . 205 MET CA . 51006 1 490 . 1 . 1 184 184 MET CB C 13 33.729 0.00 . . . . . . . 205 MET CB . 51006 1 491 . 1 . 1 184 184 MET N N 15 117.910 0.01 . . . . . . . 205 MET N . 51006 1 492 . 1 . 1 185 185 GLU H H 1 8.503 0.00 . . . . . . . 206 GLU H . 51006 1 493 . 1 . 1 185 185 GLU CA C 13 60.676 0.00 . . . . . . . 206 GLU CA . 51006 1 494 . 1 . 1 185 185 GLU N N 15 118.588 0.00 . . . . . . . 206 GLU N . 51006 1 495 . 1 . 1 186 186 ARG H H 1 7.216 0.00 . . . . . . . 207 ARG H . 51006 1 496 . 1 . 1 186 186 ARG CA C 13 58.566 0.00 . . . . . . . 207 ARG CA . 51006 1 497 . 1 . 1 186 186 ARG CB C 13 29.991 0.00 . . . . . . . 207 ARG CB . 51006 1 498 . 1 . 1 186 186 ARG N N 15 116.736 0.00 . . . . . . . 207 ARG N . 51006 1 499 . 1 . 1 190 190 GLN H H 1 7.096 0.00 . . . . . . . 211 GLN H . 51006 1 500 . 1 . 1 190 190 GLN CA C 13 59.271 0.00 . . . . . . . 211 GLN CA . 51006 1 501 . 1 . 1 190 190 GLN CB C 13 28.048 0.00 . . . . . . . 211 GLN CB . 51006 1 502 . 1 . 1 190 190 GLN N N 15 115.488 0.00 . . . . . . . 211 GLN N . 51006 1 503 . 1 . 1 191 191 MET H H 1 8.098 0.00 . . . . . . . 212 MET H . 51006 1 504 . 1 . 1 191 191 MET CA C 13 60.021 0.00 . . . . . . . 212 MET CA . 51006 1 505 . 1 . 1 191 191 MET CB C 13 34.422 0.00 . . . . . . . 212 MET CB . 51006 1 506 . 1 . 1 191 191 MET N N 15 119.387 0.06 . . . . . . . 212 MET N . 51006 1 507 . 1 . 1 192 192 CYS H H 1 9.175 0.00 . . . . . . . 213 CYS H . 51006 1 508 . 1 . 1 192 192 CYS CA C 13 60.145 0.00 . . . . . . . 213 CYS CA . 51006 1 509 . 1 . 1 192 192 CYS CB C 13 41.955 0.00 . . . . . . . 213 CYS CB . 51006 1 510 . 1 . 1 192 192 CYS N N 15 119.149 0.01 . . . . . . . 213 CYS N . 51006 1 511 . 1 . 1 193 193 VAL H H 1 8.350 0.00 . . . . . . . 214 VAL H . 51006 1 512 . 1 . 1 193 193 VAL CA C 13 67.894 0.00 . . . . . . . 214 VAL CA . 51006 1 513 . 1 . 1 193 193 VAL CB C 13 31.582 0.00 . . . . . . . 214 VAL CB . 51006 1 514 . 1 . 1 193 193 VAL N N 15 123.243 0.01 . . . . . . . 214 VAL N . 51006 1 515 . 1 . 1 194 194 THR H H 1 8.038 0.00 . . . . . . . 215 THR H . 51006 1 516 . 1 . 1 194 194 THR CA C 13 67.153 0.00 . . . . . . . 215 THR CA . 51006 1 517 . 1 . 1 194 194 THR CB C 13 68.423 0.00 . . . . . . . 215 THR CB . 51006 1 518 . 1 . 1 194 194 THR N N 15 117.878 0.01 . . . . . . . 215 THR N . 51006 1 519 . 1 . 1 195 195 GLN H H 1 8.673 0.00 . . . . . . . 216 GLN H . 51006 1 520 . 1 . 1 195 195 GLN CA C 13 58.717 0.00 . . . . . . . 216 GLN CA . 51006 1 521 . 1 . 1 195 195 GLN CB C 13 28.225 0.00 . . . . . . . 216 GLN CB . 51006 1 522 . 1 . 1 195 195 GLN N N 15 122.297 0.01 . . . . . . . 216 GLN N . 51006 1 523 . 1 . 1 196 196 TYR H H 1 8.461 0.00 . . . . . . . 217 TYR H . 51006 1 524 . 1 . 1 196 196 TYR CA C 13 55.434 0.00 . . . . . . . 217 TYR CA . 51006 1 525 . 1 . 1 196 196 TYR CB C 13 37.151 0.00 . . . . . . . 217 TYR CB . 51006 1 526 . 1 . 1 196 196 TYR N N 15 119.957 0.04 . . . . . . . 217 TYR N . 51006 1 527 . 1 . 1 197 197 GLN H H 1 8.170 0.00 . . . . . . . 218 GLN H . 51006 1 528 . 1 . 1 197 197 GLN CA C 13 59.214 0.00 . . . . . . . 218 GLN CA . 51006 1 529 . 1 . 1 197 197 GLN CB C 13 27.733 0.00 . . . . . . . 218 GLN CB . 51006 1 530 . 1 . 1 197 197 GLN N N 15 119.534 0.01 . . . . . . . 218 GLN N . 51006 1 531 . 1 . 1 198 198 LYS H H 1 7.915 0.00 . . . . . . . 219 LYS H . 51006 1 532 . 1 . 1 198 198 LYS CA C 13 59.414 0.00 . . . . . . . 219 LYS CA . 51006 1 533 . 1 . 1 198 198 LYS CB C 13 32.490 0.00 . . . . . . . 219 LYS CB . 51006 1 534 . 1 . 1 198 198 LYS N N 15 119.023 0.02 . . . . . . . 219 LYS N . 51006 1 535 . 1 . 1 199 199 GLU H H 1 8.252 0.00 . . . . . . . 220 GLU H . 51006 1 536 . 1 . 1 199 199 GLU CA C 13 57.838 0.00 . . . . . . . 220 GLU CA . 51006 1 537 . 1 . 1 199 199 GLU CB C 13 29.630 0.00 . . . . . . . 220 GLU CB . 51006 1 538 . 1 . 1 199 199 GLU N N 15 117.660 0.02 . . . . . . . 220 GLU N . 51006 1 539 . 1 . 1 200 200 SER H H 1 8.272 0.00 . . . . . . . 221 SER H . 51006 1 540 . 1 . 1 200 200 SER CA C 13 61.117 0.00 . . . . . . . 221 SER CA . 51006 1 541 . 1 . 1 200 200 SER CB C 13 62.679 0.00 . . . . . . . 221 SER CB . 51006 1 542 . 1 . 1 200 200 SER N N 15 114.838 0.02 . . . . . . . 221 SER N . 51006 1 543 . 1 . 1 201 201 GLN H H 1 7.566 0.00 . . . . . . . 222 GLN H . 51006 1 544 . 1 . 1 201 201 GLN CA C 13 58.033 0.00 . . . . . . . 222 GLN CA . 51006 1 545 . 1 . 1 201 201 GLN CB C 13 28.395 0.00 . . . . . . . 222 GLN CB . 51006 1 546 . 1 . 1 201 201 GLN N N 15 120.584 0.04 . . . . . . . 222 GLN N . 51006 1 547 . 1 . 1 202 202 ALA H H 1 7.565 0.00 . . . . . . . 223 ALA H . 51006 1 548 . 1 . 1 202 202 ALA CA C 13 54.040 0.00 . . . . . . . 223 ALA CA . 51006 1 549 . 1 . 1 202 202 ALA CB C 13 18.507 0.00 . . . . . . . 223 ALA CB . 51006 1 550 . 1 . 1 202 202 ALA N N 15 120.875 0.02 . . . . . . . 223 ALA N . 51006 1 551 . 1 . 1 203 203 TYR H H 1 7.859 0.00 . . . . . . . 224 TYR H . 51006 1 552 . 1 . 1 203 203 TYR CA C 13 59.700 0.00 . . . . . . . 224 TYR CA . 51006 1 553 . 1 . 1 203 203 TYR CB C 13 38.724 0.00 . . . . . . . 224 TYR CB . 51006 1 554 . 1 . 1 203 203 TYR N N 15 118.663 0.01 . . . . . . . 224 TYR N . 51006 1 555 . 1 . 1 204 204 TYR H H 1 7.973 0.00 . . . . . . . 225 TYR H . 51006 1 556 . 1 . 1 204 204 TYR CA C 13 59.624 0.00 . . . . . . . 225 TYR CA . 51006 1 557 . 1 . 1 204 204 TYR CB C 13 38.473 0.00 . . . . . . . 225 TYR CB . 51006 1 558 . 1 . 1 204 204 TYR N N 15 119.570 0.01 . . . . . . . 225 TYR N . 51006 1 559 . 1 . 1 205 205 ASP H H 1 8.142 0.00 . . . . . . . 226 ASP H . 51006 1 560 . 1 . 1 205 205 ASP CA C 13 54.926 0.00 . . . . . . . 226 ASP CA . 51006 1 561 . 1 . 1 205 205 ASP CB C 13 40.432 0.00 . . . . . . . 226 ASP CB . 51006 1 562 . 1 . 1 205 205 ASP N N 15 120.838 0.06 . . . . . . . 226 ASP N . 51006 1 563 . 1 . 1 206 206 GLY H H 1 7.849 0.00 . . . . . . . 227 GLY H . 51006 1 564 . 1 . 1 206 206 GLY CA C 13 45.774 0.00 . . . . . . . 227 GLY CA . 51006 1 565 . 1 . 1 206 206 GLY N N 15 108.087 0.06 . . . . . . . 227 GLY N . 51006 1 566 . 1 . 1 207 207 ARG H H 1 7.847 0.00 . . . . . . . 228 ARG H . 51006 1 567 . 1 . 1 207 207 ARG CA C 13 56.384 0.00 . . . . . . . 228 ARG CA . 51006 1 568 . 1 . 1 207 207 ARG CB C 13 30.600 0.00 . . . . . . . 228 ARG CB . 51006 1 569 . 1 . 1 207 207 ARG N N 15 119.892 0.03 . . . . . . . 228 ARG N . 51006 1 570 . 1 . 1 208 208 ARG H H 1 8.126 0.00 . . . . . . . 229 ARG H . 51006 1 571 . 1 . 1 208 208 ARG CA C 13 56.260 0.00 . . . . . . . 229 ARG CA . 51006 1 572 . 1 . 1 208 208 ARG CB C 13 30.729 0.00 . . . . . . . 229 ARG CB . 51006 1 573 . 1 . 1 208 208 ARG N N 15 121.343 0.09 . . . . . . . 229 ARG N . 51006 1 574 . 1 . 1 209 209 SER H H 1 8.267 0.00 . . . . . . . 230 SER H . 51006 1 575 . 1 . 1 209 209 SER CA C 13 58.365 0.00 . . . . . . . 230 SER CA . 51006 1 576 . 1 . 1 209 209 SER CB C 13 63.967 0.00 . . . . . . . 230 SER CB . 51006 1 577 . 1 . 1 209 209 SER N N 15 116.709 0.00 . . . . . . . 230 SER N . 51006 1 578 . 1 . 1 210 210 SER H H 1 8.280 0.00 . . . . . . . 231 SER H . 51006 1 579 . 1 . 1 210 210 SER CA C 13 58.393 0.00 . . . . . . . 231 SER CA . 51006 1 580 . 1 . 1 210 210 SER CB C 13 64.046 0.00 . . . . . . . 231 SER CB . 51006 1 581 . 1 . 1 210 210 SER N N 15 117.725 0.01 . . . . . . . 231 SER N . 51006 1 stop_ save_