data_53131 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53131 _Entry.Title ; Backbone chemical shifts for K. pneumonia NCD-ILV MipA in DPC micelles ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-05-09 _Entry.Accession_date 2025-05-09 _Entry.Last_release_date 2025-05-09 _Entry.Original_release_date 2025-05-09 _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 . _Entry.Generated_software_label . _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 Ben Shurina . . . 0000-0003-2407-9617 53131 2 Theresa Ramelot . A. . 0000-0002-0335-1573 53131 3 Yuanpeng Huang . J. . . 53131 4 Gaohua Liu . . . . 53131 5 Yojiro Ishida . . . . 53131 6 Masayori Inouye . . . . 53131 7 Gaetano Montelione . T. . 0000-0002-9440-3059 53131 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53131 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 391 53131 '15N chemical shifts' 185 53131 '1H chemical shifts' 185 53131 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 . . 2025-06-13 . original BMRB . 53131 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID GB ACI07238.1 MipA 53131 NCBI 206565462 'MltA-interacting protein' 53131 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53131 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Integrative structure of MipA from sparse NOE data ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev BioRxiv _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year 2025 _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 Ben Shurina . . . . 53131 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53131 _Assembly.ID 1 _Assembly.Name MipA _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 . _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 MipA 1 $entity_1 . . yes native no no . . . 53131 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53131 _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 ; MNHKVHHHHHHMDGKFTLGA GVGVVEHPYKQYDADVYPVP VISYESENFWFHGLGGGYYL WNDTNDKLSITAYWSPMYFK PGDSDSEQMRRLDKRKSTVM AGLSYVHNTPYGFLRTTIAG DTLDNSNGINWDLAWLYRYT NGNLTLTPGIGVEWNSDNQN EYYYGVSRHESRRSGMRSYD PDSSWNPYLELSANYRFLGD WSVYGVARYTRLSDEITDSP MVDKSWSGLISTGITYTF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'MipA (23-248)' _Entity.Polymer_author_seq_details '12 tag residues at the N-terminus followed by MipA (23-248) with signal sequence removed' _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 238 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 29000 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'NCD-ILV labeling' _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 NCBI 206565462 . MipA . . . . . . . . . . . . . . 53131 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 53131 1 2 . ASN . 53131 1 3 . HIS . 53131 1 4 . LYS . 53131 1 5 . VAL . 53131 1 6 . HIS . 53131 1 7 . HIS . 53131 1 8 . HIS . 53131 1 9 . HIS . 53131 1 10 . HIS . 53131 1 11 . HIS . 53131 1 12 . MET . 53131 1 13 . ASP . 53131 1 14 . GLY . 53131 1 15 . LYS . 53131 1 16 . PHE . 53131 1 17 . THR . 53131 1 18 . LEU . 53131 1 19 . GLY . 53131 1 20 . ALA . 53131 1 21 . GLY . 53131 1 22 . VAL . 53131 1 23 . GLY . 53131 1 24 . VAL . 53131 1 25 . VAL . 53131 1 26 . GLU . 53131 1 27 . HIS . 53131 1 28 . PRO . 53131 1 29 . TYR . 53131 1 30 . LYS . 53131 1 31 . GLN . 53131 1 32 . TYR . 53131 1 33 . ASP . 53131 1 34 . ALA . 53131 1 35 . ASP . 53131 1 36 . VAL . 53131 1 37 . TYR . 53131 1 38 . PRO . 53131 1 39 . VAL . 53131 1 40 . PRO . 53131 1 41 . VAL . 53131 1 42 . ILE . 53131 1 43 . SER . 53131 1 44 . TYR . 53131 1 45 . GLU . 53131 1 46 . SER . 53131 1 47 . GLU . 53131 1 48 . ASN . 53131 1 49 . PHE . 53131 1 50 . TRP . 53131 1 51 . PHE . 53131 1 52 . HIS . 53131 1 53 . GLY . 53131 1 54 . LEU . 53131 1 55 . GLY . 53131 1 56 . GLY . 53131 1 57 . GLY . 53131 1 58 . TYR . 53131 1 59 . TYR . 53131 1 60 . LEU . 53131 1 61 . TRP . 53131 1 62 . ASN . 53131 1 63 . ASP . 53131 1 64 . THR . 53131 1 65 . ASN . 53131 1 66 . ASP . 53131 1 67 . LYS . 53131 1 68 . LEU . 53131 1 69 . SER . 53131 1 70 . ILE . 53131 1 71 . THR . 53131 1 72 . ALA . 53131 1 73 . TYR . 53131 1 74 . TRP . 53131 1 75 . SER . 53131 1 76 . PRO . 53131 1 77 . MET . 53131 1 78 . TYR . 53131 1 79 . PHE . 53131 1 80 . LYS . 53131 1 81 . PRO . 53131 1 82 . GLY . 53131 1 83 . ASP . 53131 1 84 . SER . 53131 1 85 . ASP . 53131 1 86 . SER . 53131 1 87 . GLU . 53131 1 88 . GLN . 53131 1 89 . MET . 53131 1 90 . ARG . 53131 1 91 . ARG . 53131 1 92 . LEU . 53131 1 93 . ASP . 53131 1 94 . LYS . 53131 1 95 . ARG . 53131 1 96 . LYS . 53131 1 97 . SER . 53131 1 98 . THR . 53131 1 99 . VAL . 53131 1 100 . MET . 53131 1 101 . ALA . 53131 1 102 . GLY . 53131 1 103 . LEU . 53131 1 104 . SER . 53131 1 105 . TYR . 53131 1 106 . VAL . 53131 1 107 . HIS . 53131 1 108 . ASN . 53131 1 109 . THR . 53131 1 110 . PRO . 53131 1 111 . TYR . 53131 1 112 . GLY . 53131 1 113 . PHE . 53131 1 114 . LEU . 53131 1 115 . ARG . 53131 1 116 . THR . 53131 1 117 . THR . 53131 1 118 . ILE . 53131 1 119 . ALA . 53131 1 120 . GLY . 53131 1 121 . ASP . 53131 1 122 . THR . 53131 1 123 . LEU . 53131 1 124 . ASP . 53131 1 125 . ASN . 53131 1 126 . SER . 53131 1 127 . ASN . 53131 1 128 . GLY . 53131 1 129 . ILE . 53131 1 130 . ASN . 53131 1 131 . TRP . 53131 1 132 . ASP . 53131 1 133 . LEU . 53131 1 134 . ALA . 53131 1 135 . TRP . 53131 1 136 . LEU . 53131 1 137 . TYR . 53131 1 138 . ARG . 53131 1 139 . TYR . 53131 1 140 . THR . 53131 1 141 . ASN . 53131 1 142 . GLY . 53131 1 143 . ASN . 53131 1 144 . LEU . 53131 1 145 . THR . 53131 1 146 . LEU . 53131 1 147 . THR . 53131 1 148 . PRO . 53131 1 149 . GLY . 53131 1 150 . ILE . 53131 1 151 . GLY . 53131 1 152 . VAL . 53131 1 153 . GLU . 53131 1 154 . TRP . 53131 1 155 . ASN . 53131 1 156 . SER . 53131 1 157 . ASP . 53131 1 158 . ASN . 53131 1 159 . GLN . 53131 1 160 . ASN . 53131 1 161 . GLU . 53131 1 162 . TYR . 53131 1 163 . TYR . 53131 1 164 . TYR . 53131 1 165 . GLY . 53131 1 166 . VAL . 53131 1 167 . SER . 53131 1 168 . ARG . 53131 1 169 . HIS . 53131 1 170 . GLU . 53131 1 171 . SER . 53131 1 172 . ARG . 53131 1 173 . ARG . 53131 1 174 . SER . 53131 1 175 . GLY . 53131 1 176 . MET . 53131 1 177 . ARG . 53131 1 178 . SER . 53131 1 179 . TYR . 53131 1 180 . ASP . 53131 1 181 . PRO . 53131 1 182 . ASP . 53131 1 183 . SER . 53131 1 184 . SER . 53131 1 185 . TRP . 53131 1 186 . ASN . 53131 1 187 . PRO . 53131 1 188 . TYR . 53131 1 189 . LEU . 53131 1 190 . GLU . 53131 1 191 . LEU . 53131 1 192 . SER . 53131 1 193 . ALA . 53131 1 194 . ASN . 53131 1 195 . TYR . 53131 1 196 . ARG . 53131 1 197 . PHE . 53131 1 198 . LEU . 53131 1 199 . GLY . 53131 1 200 . ASP . 53131 1 201 . TRP . 53131 1 202 . SER . 53131 1 203 . VAL . 53131 1 204 . TYR . 53131 1 205 . GLY . 53131 1 206 . VAL . 53131 1 207 . ALA . 53131 1 208 . ARG . 53131 1 209 . TYR . 53131 1 210 . THR . 53131 1 211 . ARG . 53131 1 212 . LEU . 53131 1 213 . SER . 53131 1 214 . ASP . 53131 1 215 . GLU . 53131 1 216 . ILE . 53131 1 217 . THR . 53131 1 218 . ASP . 53131 1 219 . SER . 53131 1 220 . PRO . 53131 1 221 . MET . 53131 1 222 . VAL . 53131 1 223 . ASP . 53131 1 224 . LYS . 53131 1 225 . SER . 53131 1 226 . TRP . 53131 1 227 . SER . 53131 1 228 . GLY . 53131 1 229 . LEU . 53131 1 230 . ILE . 53131 1 231 . SER . 53131 1 232 . THR . 53131 1 233 . GLY . 53131 1 234 . ILE . 53131 1 235 . THR . 53131 1 236 . TYR . 53131 1 237 . THR . 53131 1 238 . PHE . 53131 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 53131 1 . ASN 2 2 53131 1 . HIS 3 3 53131 1 . LYS 4 4 53131 1 . VAL 5 5 53131 1 . HIS 6 6 53131 1 . HIS 7 7 53131 1 . HIS 8 8 53131 1 . HIS 9 9 53131 1 . HIS 10 10 53131 1 . HIS 11 11 53131 1 . MET 12 12 53131 1 . ASP 13 13 53131 1 . GLY 14 14 53131 1 . LYS 15 15 53131 1 . PHE 16 16 53131 1 . THR 17 17 53131 1 . LEU 18 18 53131 1 . GLY 19 19 53131 1 . ALA 20 20 53131 1 . GLY 21 21 53131 1 . VAL 22 22 53131 1 . GLY 23 23 53131 1 . VAL 24 24 53131 1 . VAL 25 25 53131 1 . GLU 26 26 53131 1 . HIS 27 27 53131 1 . PRO 28 28 53131 1 . TYR 29 29 53131 1 . LYS 30 30 53131 1 . GLN 31 31 53131 1 . TYR 32 32 53131 1 . ASP 33 33 53131 1 . ALA 34 34 53131 1 . ASP 35 35 53131 1 . VAL 36 36 53131 1 . TYR 37 37 53131 1 . PRO 38 38 53131 1 . VAL 39 39 53131 1 . PRO 40 40 53131 1 . VAL 41 41 53131 1 . ILE 42 42 53131 1 . SER 43 43 53131 1 . TYR 44 44 53131 1 . GLU 45 45 53131 1 . SER 46 46 53131 1 . GLU 47 47 53131 1 . ASN 48 48 53131 1 . PHE 49 49 53131 1 . TRP 50 50 53131 1 . PHE 51 51 53131 1 . HIS 52 52 53131 1 . GLY 53 53 53131 1 . LEU 54 54 53131 1 . GLY 55 55 53131 1 . GLY 56 56 53131 1 . GLY 57 57 53131 1 . TYR 58 58 53131 1 . TYR 59 59 53131 1 . LEU 60 60 53131 1 . TRP 61 61 53131 1 . ASN 62 62 53131 1 . ASP 63 63 53131 1 . THR 64 64 53131 1 . ASN 65 65 53131 1 . ASP 66 66 53131 1 . LYS 67 67 53131 1 . LEU 68 68 53131 1 . SER 69 69 53131 1 . ILE 70 70 53131 1 . THR 71 71 53131 1 . ALA 72 72 53131 1 . TYR 73 73 53131 1 . TRP 74 74 53131 1 . SER 75 75 53131 1 . PRO 76 76 53131 1 . MET 77 77 53131 1 . TYR 78 78 53131 1 . PHE 79 79 53131 1 . LYS 80 80 53131 1 . PRO 81 81 53131 1 . GLY 82 82 53131 1 . ASP 83 83 53131 1 . SER 84 84 53131 1 . ASP 85 85 53131 1 . SER 86 86 53131 1 . GLU 87 87 53131 1 . GLN 88 88 53131 1 . MET 89 89 53131 1 . ARG 90 90 53131 1 . ARG 91 91 53131 1 . LEU 92 92 53131 1 . ASP 93 93 53131 1 . LYS 94 94 53131 1 . ARG 95 95 53131 1 . LYS 96 96 53131 1 . SER 97 97 53131 1 . THR 98 98 53131 1 . VAL 99 99 53131 1 . MET 100 100 53131 1 . ALA 101 101 53131 1 . GLY 102 102 53131 1 . LEU 103 103 53131 1 . SER 104 104 53131 1 . TYR 105 105 53131 1 . VAL 106 106 53131 1 . HIS 107 107 53131 1 . ASN 108 108 53131 1 . THR 109 109 53131 1 . PRO 110 110 53131 1 . TYR 111 111 53131 1 . GLY 112 112 53131 1 . PHE 113 113 53131 1 . LEU 114 114 53131 1 . ARG 115 115 53131 1 . THR 116 116 53131 1 . THR 117 117 53131 1 . ILE 118 118 53131 1 . ALA 119 119 53131 1 . GLY 120 120 53131 1 . ASP 121 121 53131 1 . THR 122 122 53131 1 . LEU 123 123 53131 1 . ASP 124 124 53131 1 . ASN 125 125 53131 1 . SER 126 126 53131 1 . ASN 127 127 53131 1 . GLY 128 128 53131 1 . ILE 129 129 53131 1 . ASN 130 130 53131 1 . TRP 131 131 53131 1 . ASP 132 132 53131 1 . LEU 133 133 53131 1 . ALA 134 134 53131 1 . TRP 135 135 53131 1 . LEU 136 136 53131 1 . TYR 137 137 53131 1 . ARG 138 138 53131 1 . TYR 139 139 53131 1 . THR 140 140 53131 1 . ASN 141 141 53131 1 . GLY 142 142 53131 1 . ASN 143 143 53131 1 . LEU 144 144 53131 1 . THR 145 145 53131 1 . LEU 146 146 53131 1 . THR 147 147 53131 1 . PRO 148 148 53131 1 . GLY 149 149 53131 1 . ILE 150 150 53131 1 . GLY 151 151 53131 1 . VAL 152 152 53131 1 . GLU 153 153 53131 1 . TRP 154 154 53131 1 . ASN 155 155 53131 1 . SER 156 156 53131 1 . ASP 157 157 53131 1 . ASN 158 158 53131 1 . GLN 159 159 53131 1 . ASN 160 160 53131 1 . GLU 161 161 53131 1 . TYR 162 162 53131 1 . TYR 163 163 53131 1 . TYR 164 164 53131 1 . GLY 165 165 53131 1 . VAL 166 166 53131 1 . SER 167 167 53131 1 . ARG 168 168 53131 1 . HIS 169 169 53131 1 . GLU 170 170 53131 1 . SER 171 171 53131 1 . ARG 172 172 53131 1 . ARG 173 173 53131 1 . SER 174 174 53131 1 . GLY 175 175 53131 1 . MET 176 176 53131 1 . ARG 177 177 53131 1 . SER 178 178 53131 1 . TYR 179 179 53131 1 . ASP 180 180 53131 1 . PRO 181 181 53131 1 . ASP 182 182 53131 1 . SER 183 183 53131 1 . SER 184 184 53131 1 . TRP 185 185 53131 1 . ASN 186 186 53131 1 . PRO 187 187 53131 1 . TYR 188 188 53131 1 . LEU 189 189 53131 1 . GLU 190 190 53131 1 . LEU 191 191 53131 1 . SER 192 192 53131 1 . ALA 193 193 53131 1 . ASN 194 194 53131 1 . TYR 195 195 53131 1 . ARG 196 196 53131 1 . PHE 197 197 53131 1 . LEU 198 198 53131 1 . GLY 199 199 53131 1 . ASP 200 200 53131 1 . TRP 201 201 53131 1 . SER 202 202 53131 1 . VAL 203 203 53131 1 . TYR 204 204 53131 1 . GLY 205 205 53131 1 . VAL 206 206 53131 1 . ALA 207 207 53131 1 . ARG 208 208 53131 1 . TYR 209 209 53131 1 . THR 210 210 53131 1 . ARG 211 211 53131 1 . LEU 212 212 53131 1 . SER 213 213 53131 1 . ASP 214 214 53131 1 . GLU 215 215 53131 1 . ILE 216 216 53131 1 . THR 217 217 53131 1 . ASP 218 218 53131 1 . SER 219 219 53131 1 . PRO 220 220 53131 1 . MET 221 221 53131 1 . VAL 222 222 53131 1 . ASP 223 223 53131 1 . LYS 224 224 53131 1 . SER 225 225 53131 1 . TRP 226 226 53131 1 . SER 227 227 53131 1 . GLY 228 228 53131 1 . LEU 229 229 53131 1 . ILE 230 230 53131 1 . SER 231 231 53131 1 . THR 232 232 53131 1 . GLY 233 233 53131 1 . ILE 234 234 53131 1 . THR 235 235 53131 1 . TYR 236 236 53131 1 . THR 237 237 53131 1 . PHE 238 238 53131 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 53131 _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 . 573 organism . 'Klebsiella pneumoniae' 'Klebsiella pneumoniae' . . Bacteria . Klebsiella pneumoniae 342 . . . . . . . . . . MipA . 53131 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 53131 _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 BL21(DE3)' . . . . . BL21(DE3) . . plasmid . . pET15_SUMO_NESG . . . 53131 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53131 _Sample.ID 1 _Sample.Name sample1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'NCD-ILV sample' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MipA NCD-ILV . . 1 $entity_1 . . 0.25 . . mM 0.05 . . . 53131 1 2 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM 10 . . . 53131 1 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% w/v' .005 . . . 53131 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM 1 . . . 53131 1 5 DPC 'natural abundance' . . . . . . 0.2 . . '% w/v' 0.05 . . . 53131 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 53131 _Sample.ID 2 _Sample.Name sample2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '[U-15N] sample' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MipA '[U-100% 15N]' . . 1 $entity_1 . . 0.25 . . mM 0.05 . . . 53131 2 2 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM 10 . . . 53131 2 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% w/v' .005 . . . 53131 2 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM 1 . . . 53131 2 5 DPC 'natural abundance' . . . . . . 0.2 . . '% w/v' 0.05 . . . 53131 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 53131 _Sample_condition_list.ID 1 _Sample_condition_list.Name 318K _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' 200 5 mM 53131 1 pH 7.5 . pH 53131 1 pressure 1 0.1 atm 53131 1 temperature 318 1 K 53131 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53131 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version 1.37 _Software.DOI . _Software.Details 'Poky build 20240829' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking, spectra visualization, and exporting bmrb file' . 53131 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53131 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version v10.9 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53131 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 53131 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.0 _Software.DOI . _Software.Details Bruker loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53131 3 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 53131 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name Hudson _NMR_spectrometer.Details 'at RPI' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 53131 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name Mohawk _NMR_spectrometer.Details 'at RPI' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 53131 _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 TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53131 1 2 '2D 1H-15N TROSY' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53131 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 53131 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 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 internal indirect . . . . . . 53131 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 53131 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect . . . . . . 53131 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 53131 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 TROSY' . . . 53131 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 . . 53131 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 1 1 MET CA C 13 52.509 0.2 . 1 . . . . . 1 MET CA . 53131 1 2 . 1 . 1 1 1 MET CB C 13 29.566 0.2 . 1 . . . . . 1 MET CB . 53131 1 3 . 1 . 1 2 2 ASN H H 1 7.843 0.02 . 1 . . . . . 2 ASN H . 53131 1 4 . 1 . 1 2 2 ASN CA C 13 56.265 0.2 . 1 . . . . . 2 ASN CA . 53131 1 5 . 1 . 1 2 2 ASN CB C 13 40.834 0.2 . 1 . . . . . 2 ASN CB . 53131 1 6 . 1 . 1 2 2 ASN N N 15 122.03 0.2 . 1 . . . . . 2 ASN N . 53131 1 7 . 1 . 1 3 3 HIS H H 1 8.206 0.02 . 1 . . . . . 3 HIS H . 53131 1 8 . 1 . 1 3 3 HIS CA C 13 55.728 0.2 . 1 . . . . . 3 HIS CA . 53131 1 9 . 1 . 1 3 3 HIS CB C 13 29.567 0.2 . 1 . . . . . 3 HIS CB . 53131 1 10 . 1 . 1 3 3 HIS N N 15 131.40 0.2 . 1 . . . . . 3 HIS N . 53131 1 11 . 1 . 1 9 9 HIS CA C 13 58.395 0.2 . 1 . . . . . 9 HIS CA . 53131 1 12 . 1 . 1 10 10 HIS H H 1 7.650 0.02 . 1 . . . . . 10 HIS H . 53131 1 13 . 1 . 1 10 10 HIS CA C 13 54.611 0.2 . 1 . . . . . 10 HIS CA . 53131 1 14 . 1 . 1 10 10 HIS CB C 13 36.627 0.2 . 1 . . . . . 10 HIS CB . 53131 1 15 . 1 . 1 10 10 HIS N N 15 116.01 0.2 . 1 . . . . . 10 HIS N . 53131 1 16 . 1 . 1 11 11 HIS H H 1 9.255 0.02 . 1 . . . . . 11 HIS H . 53131 1 17 . 1 . 1 11 11 HIS CA C 13 59.649 0.2 . 1 . . . . . 11 HIS CA . 53131 1 18 . 1 . 1 11 11 HIS CB C 13 29.689 0.2 . 1 . . . . . 11 HIS CB . 53131 1 19 . 1 . 1 11 11 HIS N N 15 123.21 0.2 . 1 . . . . . 11 HIS N . 53131 1 20 . 1 . 1 12 12 MET H H 1 7.947 0.02 . 1 . . . . . 12 MET H . 53131 1 21 . 1 . 1 12 12 MET CA C 13 61.678 0.2 . 1 . . . . . 12 MET CA . 53131 1 22 . 1 . 1 12 12 MET CB C 13 37.726 0.2 . 1 . . . . . 12 MET CB . 53131 1 23 . 1 . 1 12 12 MET N N 15 119.82 0.2 . 1 . . . . . 12 MET N . 53131 1 24 . 1 . 1 13 13 ASP CA C 13 54.366 0.2 . 1 . . . . . 13 ASP CA . 53131 1 25 . 1 . 1 13 13 ASP CB C 13 41.370 0.2 . 1 . . . . . 13 ASP CB . 53131 1 26 . 1 . 1 14 14 GLY H H 1 8.073 0.02 . 1 . . . . . 14 GLY H . 53131 1 27 . 1 . 1 14 14 GLY CA C 13 45.238 0.2 . 1 . . . . . 14 GLY CA . 53131 1 28 . 1 . 1 14 14 GLY N N 15 109.38 0.2 . 1 . . . . . 14 GLY N . 53131 1 29 . 1 . 1 15 15 LYS H H 1 7.919 0.02 . 1 . . . . . 15 LYS H . 53131 1 30 . 1 . 1 15 15 LYS CA C 13 55.559 0.2 . 1 . . . . . 15 LYS CA . 53131 1 31 . 1 . 1 15 15 LYS CB C 13 33.866 0.2 . 1 . . . . . 15 LYS CB . 53131 1 32 . 1 . 1 15 15 LYS N N 15 120.95 0.2 . 1 . . . . . 15 LYS N . 53131 1 33 . 1 . 1 16 16 PHE H H 1 8.527 0.02 . 1 . . . . . 16 PHE H . 53131 1 34 . 1 . 1 16 16 PHE CA C 13 56.223 0.2 . 1 . . . . . 16 PHE CA . 53131 1 35 . 1 . 1 16 16 PHE CB C 13 41.911 0.2 . 1 . . . . . 16 PHE CB . 53131 1 36 . 1 . 1 16 16 PHE N N 15 123.76 0.2 . 1 . . . . . 16 PHE N . 53131 1 37 . 1 . 1 17 17 THR H H 1 9.124 0.02 . 1 . . . . . 17 THR H . 53131 1 38 . 1 . 1 17 17 THR CA C 13 62.006 0.2 . 1 . . . . . 17 THR CA . 53131 1 39 . 1 . 1 17 17 THR CB C 13 70.844 0.2 . 1 . . . . . 17 THR CB . 53131 1 40 . 1 . 1 17 17 THR N N 15 126.52 0.2 . 1 . . . . . 17 THR N . 53131 1 41 . 1 . 1 18 18 LEU H H 1 8.626 0.02 . 1 . . . . . 18 LEU H . 53131 1 42 . 1 . 1 18 18 LEU CA C 13 52.337 0.2 . 1 . . . . . 18 LEU CA . 53131 1 43 . 1 . 1 18 18 LEU CB C 13 46.940 0.2 . 1 . . . . . 18 LEU CB . 53131 1 44 . 1 . 1 18 18 LEU N N 15 126.37 0.2 . 1 . . . . . 18 LEU N . 53131 1 45 . 1 . 1 19 19 GLY H H 1 9.049 0.02 . 1 . . . . . 19 GLY H . 53131 1 46 . 1 . 1 19 19 GLY CA C 13 46.382 0.2 . 1 . . . . . 19 GLY CA . 53131 1 47 . 1 . 1 19 19 GLY N N 15 109.86 0.2 . 1 . . . . . 19 GLY N . 53131 1 48 . 1 . 1 20 20 ALA H H 1 8.761 0.02 . 1 . . . . . 20 ALA H . 53131 1 49 . 1 . 1 20 20 ALA CA C 13 50.610 0.2 . 1 . . . . . 20 ALA CA . 53131 1 50 . 1 . 1 20 20 ALA CB C 13 22.997 0.2 . 1 . . . . . 20 ALA CB . 53131 1 51 . 1 . 1 20 20 ALA N N 15 121.65 0.2 . 1 . . . . . 20 ALA N . 53131 1 52 . 1 . 1 21 21 GLY H H 1 8.510 0.02 . 1 . . . . . 21 GLY H . 53131 1 53 . 1 . 1 21 21 GLY CA C 13 46.089 0.2 . 1 . . . . . 21 GLY CA . 53131 1 54 . 1 . 1 21 21 GLY N N 15 106.56 0.2 . 1 . . . . . 21 GLY N . 53131 1 55 . 1 . 1 22 22 VAL H H 1 8.834 0.02 . 1 . . . . . 22 VAL H . 53131 1 56 . 1 . 1 22 22 VAL CA C 13 58.892 0.2 . 1 . . . . . 22 VAL CA . 53131 1 57 . 1 . 1 22 22 VAL CB C 13 34.717 0.2 . 1 . . . . . 22 VAL CB . 53131 1 58 . 1 . 1 22 22 VAL N N 15 116.60 0.2 . 1 . . . . . 22 VAL N . 53131 1 59 . 1 . 1 23 23 GLY H H 1 9.907 0.02 . 1 . . . . . 23 GLY H . 53131 1 60 . 1 . 1 23 23 GLY CA C 13 44.242 0.2 . 1 . . . . . 23 GLY CA . 53131 1 61 . 1 . 1 23 23 GLY N N 15 118.80 0.2 . 1 . . . . . 23 GLY N . 53131 1 62 . 1 . 1 24 24 VAL H H 1 9.461 0.02 . 1 . . . . . 24 VAL H . 53131 1 63 . 1 . 1 24 24 VAL CA C 13 60.323 0.2 . 1 . . . . . 24 VAL CA . 53131 1 64 . 1 . 1 24 24 VAL CB C 13 34.640 0.2 . 1 . . . . . 24 VAL CB . 53131 1 65 . 1 . 1 24 24 VAL N N 15 124.93 0.2 . 1 . . . . . 24 VAL N . 53131 1 66 . 1 . 1 25 25 VAL H H 1 8.783 0.02 . 1 . . . . . 25 VAL H . 53131 1 67 . 1 . 1 25 25 VAL CA C 13 61.174 0.2 . 1 . . . . . 25 VAL CA . 53131 1 68 . 1 . 1 25 25 VAL CB C 13 34.026 0.2 . 1 . . . . . 25 VAL CB . 53131 1 69 . 1 . 1 25 25 VAL N N 15 126.78 0.2 . 1 . . . . . 25 VAL N . 53131 1 70 . 1 . 1 26 26 GLU H H 1 8.537 0.02 . 1 . . . . . 26 GLU H . 53131 1 71 . 1 . 1 26 26 GLU CA C 13 54.502 0.2 . 1 . . . . . 26 GLU CA . 53131 1 72 . 1 . 1 26 26 GLU CB C 13 29.147 0.2 . 1 . . . . . 26 GLU CB . 53131 1 73 . 1 . 1 26 26 GLU N N 15 128.37 0.2 . 1 . . . . . 26 GLU N . 53131 1 74 . 1 . 1 28 28 PRO CA C 13 62.825 0.2 . 1 . . . . . 28 PRO CA . 53131 1 75 . 1 . 1 29 29 TYR H H 1 5.793 0.02 . 1 . . . . . 29 TYR H . 53131 1 76 . 1 . 1 29 29 TYR CA C 13 57.293 0.2 . 1 . . . . . 29 TYR CA . 53131 1 77 . 1 . 1 29 29 TYR CB C 13 39.372 0.2 . 1 . . . . . 29 TYR CB . 53131 1 78 . 1 . 1 29 29 TYR N N 15 117.36 0.2 . 1 . . . . . 29 TYR N . 53131 1 79 . 1 . 1 30 30 LYS H H 1 8.119 0.02 . 1 . . . . . 30 LYS H . 53131 1 80 . 1 . 1 30 30 LYS CA C 13 56.917 0.2 . 1 . . . . . 30 LYS CA . 53131 1 81 . 1 . 1 30 30 LYS CB C 13 33.201 0.2 . 1 . . . . . 30 LYS CB . 53131 1 82 . 1 . 1 30 30 LYS N N 15 121.83 0.2 . 1 . . . . . 30 LYS N . 53131 1 83 . 1 . 1 31 31 GLN H H 1 9.267 0.02 . 1 . . . . . 31 GLN H . 53131 1 84 . 1 . 1 31 31 GLN CA C 13 56.558 0.2 . 1 . . . . . 31 GLN CA . 53131 1 85 . 1 . 1 31 31 GLN CB C 13 27.832 0.2 . 1 . . . . . 31 GLN CB . 53131 1 86 . 1 . 1 31 31 GLN N N 15 121.63 0.2 . 1 . . . . . 31 GLN N . 53131 1 87 . 1 . 1 32 32 TYR H H 1 7.442 0.02 . 1 . . . . . 32 TYR H . 53131 1 88 . 1 . 1 32 32 TYR CA C 13 56.919 0.2 . 1 . . . . . 32 TYR CA . 53131 1 89 . 1 . 1 32 32 TYR CB C 13 42.898 0.2 . 1 . . . . . 32 TYR CB . 53131 1 90 . 1 . 1 32 32 TYR N N 15 124.38 0.2 . 1 . . . . . 32 TYR N . 53131 1 91 . 1 . 1 33 33 ASP H H 1 8.583 0.02 . 1 . . . . . 33 ASP H . 53131 1 92 . 1 . 1 33 33 ASP CA C 13 54.782 0.2 . 1 . . . . . 33 ASP CA . 53131 1 93 . 1 . 1 33 33 ASP CB C 13 41.834 0.2 . 1 . . . . . 33 ASP CB . 53131 1 94 . 1 . 1 33 33 ASP N N 15 129.26 0.2 . 1 . . . . . 33 ASP N . 53131 1 95 . 1 . 1 34 34 ALA H H 1 8.314 0.02 . 1 . . . . . 34 ALA H . 53131 1 96 . 1 . 1 34 34 ALA CA C 13 52.868 0.2 . 1 . . . . . 34 ALA CA . 53131 1 97 . 1 . 1 34 34 ALA CB C 13 18.788 0.2 . 1 . . . . . 34 ALA CB . 53131 1 98 . 1 . 1 34 34 ALA N N 15 122.03 0.2 . 1 . . . . . 34 ALA N . 53131 1 99 . 1 . 1 35 35 ASP H H 1 8.381 0.02 . 1 . . . . . 35 ASP H . 53131 1 100 . 1 . 1 35 35 ASP CA C 13 53.859 0.2 . 1 . . . . . 35 ASP CA . 53131 1 101 . 1 . 1 35 35 ASP CB C 13 44.143 0.2 . 1 . . . . . 35 ASP CB . 53131 1 102 . 1 . 1 35 35 ASP N N 15 121.31 0.2 . 1 . . . . . 35 ASP N . 53131 1 103 . 1 . 1 36 36 VAL H H 1 7.973 0.02 . 1 . . . . . 36 VAL H . 53131 1 104 . 1 . 1 36 36 VAL CA C 13 60.864 0.2 . 1 . . . . . 36 VAL CA . 53131 1 105 . 1 . 1 36 36 VAL CB C 13 33.570 0.2 . 1 . . . . . 36 VAL CB . 53131 1 106 . 1 . 1 36 36 VAL N N 15 121.68 0.2 . 1 . . . . . 36 VAL N . 53131 1 107 . 1 . 1 37 37 TYR H H 1 9.199 0.02 . 1 . . . . . 37 TYR H . 53131 1 108 . 1 . 1 37 37 TYR CA C 13 54.830 0.2 . 1 . . . . . 37 TYR CA . 53131 1 109 . 1 . 1 37 37 TYR CB C 13 41.525 0.2 . 1 . . . . . 37 TYR CB . 53131 1 110 . 1 . 1 37 37 TYR N N 15 124.58 0.2 . 1 . . . . . 37 TYR N . 53131 1 111 . 1 . 1 38 38 PRO CA C 13 61.994 0.2 . 1 . . . . . 38 PRO CA . 53131 1 112 . 1 . 1 38 38 PRO CB C 13 30.927 0.2 . 1 . . . . . 38 PRO CB . 53131 1 113 . 1 . 1 39 39 VAL H H 1 8.466 0.02 . 1 . . . . . 39 VAL H . 53131 1 114 . 1 . 1 39 39 VAL CB C 13 33.711 0.2 . 1 . . . . . 39 VAL CB . 53131 1 115 . 1 . 1 39 39 VAL N N 15 111.44 0.2 . 1 . . . . . 39 VAL N . 53131 1 116 . 1 . 1 41 41 VAL CA C 13 61.406 0.2 . 1 . . . . . 41 VAL CA . 53131 1 117 . 1 . 1 41 41 VAL CB C 13 32.706 0.2 . 1 . . . . . 41 VAL CB . 53131 1 118 . 1 . 1 42 42 ILE H H 1 8.571 0.02 . 1 . . . . . 42 ILE H . 53131 1 119 . 1 . 1 42 42 ILE CA C 13 59.774 0.2 . 1 . . . . . 42 ILE CA . 53131 1 120 . 1 . 1 42 42 ILE CB C 13 40.132 0.2 . 1 . . . . . 42 ILE CB . 53131 1 121 . 1 . 1 42 42 ILE N N 15 126.58 0.2 . 1 . . . . . 42 ILE N . 53131 1 122 . 1 . 1 43 43 SER H H 1 8.461 0.02 . 1 . . . . . 43 SER H . 53131 1 123 . 1 . 1 43 43 SER CA C 13 57.565 0.2 . 1 . . . . . 43 SER CA . 53131 1 124 . 1 . 1 43 43 SER CB C 13 62.798 0.2 . 1 . . . . . 43 SER CB . 53131 1 125 . 1 . 1 43 43 SER N N 15 120.66 0.2 . 1 . . . . . 43 SER N . 53131 1 126 . 1 . 1 44 44 TYR H H 1 10.227 0.02 . 1 . . . . . 44 TYR H . 53131 1 127 . 1 . 1 44 44 TYR CA C 13 56.749 0.2 . 1 . . . . . 44 TYR CA . 53131 1 128 . 1 . 1 44 44 TYR CB C 13 43.116 0.2 . 1 . . . . . 44 TYR CB . 53131 1 129 . 1 . 1 44 44 TYR N N 15 130.57 0.2 . 1 . . . . . 44 TYR N . 53131 1 130 . 1 . 1 45 45 GLU CA C 13 53.484 0.2 . 1 . . . . . 45 GLU CA . 53131 1 131 . 1 . 1 45 45 GLU CB C 13 32.927 0.2 . 1 . . . . . 45 GLU CB . 53131 1 132 . 1 . 1 46 46 SER H H 1 8.393 0.02 . 1 . . . . . 46 SER H . 53131 1 133 . 1 . 1 46 46 SER CA C 13 56.127 0.2 . 1 . . . . . 46 SER CA . 53131 1 134 . 1 . 1 46 46 SER CB C 13 65.905 0.2 . 1 . . . . . 46 SER CB . 53131 1 135 . 1 . 1 46 46 SER N N 15 121.49 0.2 . 1 . . . . . 46 SER N . 53131 1 136 . 1 . 1 48 48 ASN CA C 13 54.212 0.2 . 1 . . . . . 48 ASN CA . 53131 1 137 . 1 . 1 48 48 ASN CB C 13 41.215 0.2 . 1 . . . . . 48 ASN CB . 53131 1 138 . 1 . 1 49 49 PHE H H 1 7.840 0.02 . 1 . . . . . 49 PHE H . 53131 1 139 . 1 . 1 49 49 PHE CA C 13 56.691 0.2 . 1 . . . . . 49 PHE CA . 53131 1 140 . 1 . 1 49 49 PHE CB C 13 43.527 0.2 . 1 . . . . . 49 PHE CB . 53131 1 141 . 1 . 1 49 49 PHE N N 15 118.80 0.2 . 1 . . . . . 49 PHE N . 53131 1 142 . 1 . 1 50 50 TRP H H 1 8.351 0.02 . 1 . . . . . 50 TRP H . 53131 1 143 . 1 . 1 50 50 TRP CA C 13 54.601 0.2 . 1 . . . . . 50 TRP CA . 53131 1 144 . 1 . 1 50 50 TRP CB C 13 31.829 0.2 . 1 . . . . . 50 TRP CB . 53131 1 145 . 1 . 1 50 50 TRP N N 15 117.99 0.2 . 1 . . . . . 50 TRP N . 53131 1 146 . 1 . 1 51 51 PHE H H 1 9.410 0.02 . 1 . . . . . 51 PHE H . 53131 1 147 . 1 . 1 51 51 PHE CA C 13 58.591 0.2 . 1 . . . . . 51 PHE CA . 53131 1 148 . 1 . 1 51 51 PHE CB C 13 43.536 0.2 . 1 . . . . . 51 PHE CB . 53131 1 149 . 1 . 1 51 51 PHE N N 15 119.70 0.2 . 1 . . . . . 51 PHE N . 53131 1 150 . 1 . 1 52 52 HIS H H 1 7.128 0.02 . 1 . . . . . 52 HIS H . 53131 1 151 . 1 . 1 52 52 HIS CA C 13 57.962 0.2 . 1 . . . . . 52 HIS CA . 53131 1 152 . 1 . 1 52 52 HIS N N 15 117.43 0.2 . 1 . . . . . 52 HIS N . 53131 1 153 . 1 . 1 53 53 GLY H H 1 8.218 0.02 . 1 . . . . . 53 GLY H . 53131 1 154 . 1 . 1 53 53 GLY CA C 13 47.213 0.2 . 1 . . . . . 53 GLY CA . 53131 1 155 . 1 . 1 53 53 GLY N N 15 114.54 0.2 . 1 . . . . . 53 GLY N . 53131 1 156 . 1 . 1 54 54 LEU H H 1 8.303 0.02 . 1 . . . . . 54 LEU H . 53131 1 157 . 1 . 1 54 54 LEU CA C 13 54.133 0.2 . 1 . . . . . 54 LEU CA . 53131 1 158 . 1 . 1 54 54 LEU CB C 13 41.989 0.2 . 1 . . . . . 54 LEU CB . 53131 1 159 . 1 . 1 54 54 LEU N N 15 126.51 0.2 . 1 . . . . . 54 LEU N . 53131 1 160 . 1 . 1 55 55 GLY H H 1 6.743 0.02 . 1 . . . . . 55 GLY H . 53131 1 161 . 1 . 1 55 55 GLY CA C 13 45.241 0.2 . 1 . . . . . 55 GLY CA . 53131 1 162 . 1 . 1 55 55 GLY N N 15 104.01 0.2 . 1 . . . . . 55 GLY N . 53131 1 163 . 1 . 1 56 56 GLY H H 1 7.748 0.02 . 1 . . . . . 56 GLY H . 53131 1 164 . 1 . 1 56 56 GLY CA C 13 44.542 0.2 . 1 . . . . . 56 GLY CA . 53131 1 165 . 1 . 1 56 56 GLY N N 15 102.36 0.2 . 1 . . . . . 56 GLY N . 53131 1 166 . 1 . 1 57 57 GLY H H 1 7.732 0.02 . 1 . . . . . 57 GLY H . 53131 1 167 . 1 . 1 57 57 GLY CA C 13 46.948 0.2 . 1 . . . . . 57 GLY CA . 53131 1 168 . 1 . 1 57 57 GLY N N 15 108.35 0.2 . 1 . . . . . 57 GLY N . 53131 1 169 . 1 . 1 58 58 TYR H H 1 8.249 0.02 . 1 . . . . . 58 TYR H . 53131 1 170 . 1 . 1 58 58 TYR CA C 13 63.674 0.2 . 1 . . . . . 58 TYR CA . 53131 1 171 . 1 . 1 58 58 TYR CB C 13 37.589 0.2 . 1 . . . . . 58 TYR CB . 53131 1 172 . 1 . 1 58 58 TYR N N 15 121.69 0.2 . 1 . . . . . 58 TYR N . 53131 1 173 . 1 . 1 59 59 TYR CA C 13 59.781 0.2 . 1 . . . . . 59 TYR CA . 53131 1 174 . 1 . 1 59 59 TYR CB C 13 37.811 0.2 . 1 . . . . . 59 TYR CB . 53131 1 175 . 1 . 1 60 60 LEU H H 1 7.481 0.02 . 1 . . . . . 60 LEU H . 53131 1 176 . 1 . 1 60 60 LEU CA C 13 56.458 0.2 . 1 . . . . . 60 LEU CA . 53131 1 177 . 1 . 1 60 60 LEU CB C 13 41.447 0.2 . 1 . . . . . 60 LEU CB . 53131 1 178 . 1 . 1 60 60 LEU N N 15 119.97 0.2 . 1 . . . . . 60 LEU N . 53131 1 179 . 1 . 1 61 61 TRP H H 1 7.815 0.02 . 1 . . . . . 61 TRP H . 53131 1 180 . 1 . 1 61 61 TRP CA C 13 57.538 0.2 . 1 . . . . . 61 TRP CA . 53131 1 181 . 1 . 1 61 61 TRP CB C 13 29.225 0.2 . 1 . . . . . 61 TRP CB . 53131 1 182 . 1 . 1 61 61 TRP N N 15 119.50 0.2 . 1 . . . . . 61 TRP N . 53131 1 183 . 1 . 1 62 62 ASN H H 1 7.714 0.02 . 1 . . . . . 62 ASN H . 53131 1 184 . 1 . 1 62 62 ASN CA C 13 56.628 0.2 . 1 . . . . . 62 ASN CA . 53131 1 185 . 1 . 1 62 62 ASN CB C 13 41.315 0.2 . 1 . . . . . 62 ASN CB . 53131 1 186 . 1 . 1 62 62 ASN N N 15 120.63 0.2 . 1 . . . . . 62 ASN N . 53131 1 187 . 1 . 1 67 67 LYS CA C 13 54.463 0.2 . 1 . . . . . 67 LYS CA . 53131 1 188 . 1 . 1 67 67 LYS CB C 13 35.565 0.2 . 1 . . . . . 67 LYS CB . 53131 1 189 . 1 . 1 68 68 LEU H H 1 8.966 0.02 . 1 . . . . . 68 LEU H . 53131 1 190 . 1 . 1 68 68 LEU CA C 13 53.497 0.2 . 1 . . . . . 68 LEU CA . 53131 1 191 . 1 . 1 68 68 LEU CB C 13 45.886 0.2 . 1 . . . . . 68 LEU CB . 53131 1 192 . 1 . 1 68 68 LEU N N 15 125.86 0.2 . 1 . . . . . 68 LEU N . 53131 1 193 . 1 . 1 69 69 SER H H 1 9.887 0.02 . 1 . . . . . 69 SER H . 53131 1 194 . 1 . 1 69 69 SER CA C 13 56.974 0.2 . 1 . . . . . 69 SER CA . 53131 1 195 . 1 . 1 69 69 SER CB C 13 66.100 0.2 . 1 . . . . . 69 SER CB . 53131 1 196 . 1 . 1 69 69 SER N N 15 122.11 0.2 . 1 . . . . . 69 SER N . 53131 1 197 . 1 . 1 70 70 ILE H H 1 8.508 0.02 . 1 . . . . . 70 ILE H . 53131 1 198 . 1 . 1 70 70 ILE CA C 13 60.580 0.2 . 1 . . . . . 70 ILE CA . 53131 1 199 . 1 . 1 70 70 ILE CB C 13 38.686 0.2 . 1 . . . . . 70 ILE CB . 53131 1 200 . 1 . 1 70 70 ILE N N 15 122.25 0.2 . 1 . . . . . 70 ILE N . 53131 1 201 . 1 . 1 71 71 THR H H 1 8.840 0.02 . 1 . . . . . 71 THR H . 53131 1 202 . 1 . 1 71 71 THR CA C 13 58.207 0.2 . 1 . . . . . 71 THR CA . 53131 1 203 . 1 . 1 71 71 THR CB C 13 71.393 0.2 . 1 . . . . . 71 THR CB . 53131 1 204 . 1 . 1 71 71 THR N N 15 122.18 0.2 . 1 . . . . . 71 THR N . 53131 1 205 . 1 . 1 72 72 ALA H H 1 8.029 0.02 . 1 . . . . . 72 ALA H . 53131 1 206 . 1 . 1 72 72 ALA CA C 13 51.123 0.2 . 1 . . . . . 72 ALA CA . 53131 1 207 . 1 . 1 72 72 ALA CB C 13 21.970 0.2 . 1 . . . . . 72 ALA CB . 53131 1 208 . 1 . 1 72 72 ALA N N 15 126.05 0.2 . 1 . . . . . 72 ALA N . 53131 1 209 . 1 . 1 73 73 TYR H H 1 8.653 0.02 . 1 . . . . . 73 TYR H . 53131 1 210 . 1 . 1 73 73 TYR CA C 13 55.706 0.2 . 1 . . . . . 73 TYR CA . 53131 1 211 . 1 . 1 73 73 TYR CB C 13 40.132 0.2 . 1 . . . . . 73 TYR CB . 53131 1 212 . 1 . 1 73 73 TYR N N 15 113.99 0.2 . 1 . . . . . 73 TYR N . 53131 1 213 . 1 . 1 74 74 TRP H H 1 8.876 0.02 . 1 . . . . . 74 TRP H . 53131 1 214 . 1 . 1 74 74 TRP CA C 13 57.468 0.2 . 1 . . . . . 74 TRP CA . 53131 1 215 . 1 . 1 74 74 TRP CB C 13 28.950 0.2 . 1 . . . . . 74 TRP CB . 53131 1 216 . 1 . 1 74 74 TRP N N 15 123.06 0.2 . 1 . . . . . 74 TRP N . 53131 1 217 . 1 . 1 75 75 SER H H 1 7.431 0.02 . 1 . . . . . 75 SER H . 53131 1 218 . 1 . 1 75 75 SER CA C 13 52.672 0.2 . 1 . . . . . 75 SER CA . 53131 1 219 . 1 . 1 75 75 SER CB C 13 63.263 0.2 . 1 . . . . . 75 SER CB . 53131 1 220 . 1 . 1 75 75 SER N N 15 121.49 0.2 . 1 . . . . . 75 SER N . 53131 1 221 . 1 . 1 76 76 PRO CA C 13 61.741 0.2 . 1 . . . . . 76 PRO CA . 53131 1 222 . 1 . 1 77 77 MET H H 1 7.661 0.02 . 1 . . . . . 77 MET H . 53131 1 223 . 1 . 1 77 77 MET CA C 13 54.676 0.2 . 1 . . . . . 77 MET CA . 53131 1 224 . 1 . 1 77 77 MET CB C 13 33.323 0.2 . 1 . . . . . 77 MET CB . 53131 1 225 . 1 . 1 77 77 MET N N 15 123.90 0.2 . 1 . . . . . 77 MET N . 53131 1 226 . 1 . 1 78 78 TYR H H 1 7.088 0.02 . 1 . . . . . 78 TYR H . 53131 1 227 . 1 . 1 78 78 TYR CA C 13 56.579 0.2 . 1 . . . . . 78 TYR CA . 53131 1 228 . 1 . 1 78 78 TYR CB C 13 37.811 0.2 . 1 . . . . . 78 TYR CB . 53131 1 229 . 1 . 1 78 78 TYR N N 15 115.09 0.2 . 1 . . . . . 78 TYR N . 53131 1 230 . 1 . 1 79 79 PHE H H 1 8.963 0.02 . 1 . . . . . 79 PHE H . 53131 1 231 . 1 . 1 79 79 PHE CA C 13 57.355 0.2 . 1 . . . . . 79 PHE CA . 53131 1 232 . 1 . 1 79 79 PHE CB C 13 41.293 0.2 . 1 . . . . . 79 PHE CB . 53131 1 233 . 1 . 1 79 79 PHE N N 15 116.26 0.2 . 1 . . . . . 79 PHE N . 53131 1 234 . 1 . 1 80 80 LYS H H 1 8.514 0.02 . 1 . . . . . 80 LYS H . 53131 1 235 . 1 . 1 80 80 LYS CA C 13 52.078 0.2 . 1 . . . . . 80 LYS CA . 53131 1 236 . 1 . 1 80 80 LYS CB C 13 31.967 0.2 . 1 . . . . . 80 LYS CB . 53131 1 237 . 1 . 1 80 80 LYS N N 15 131.05 0.2 . 1 . . . . . 80 LYS N . 53131 1 238 . 1 . 1 81 81 PRO CA C 13 64.766 0.2 . 1 . . . . . 81 PRO CA . 53131 1 239 . 1 . 1 81 81 PRO CB C 13 31.494 0.2 . 1 . . . . . 81 PRO CB . 53131 1 240 . 1 . 1 82 82 GLY H H 1 7.830 0.02 . 1 . . . . . 82 GLY H . 53131 1 241 . 1 . 1 82 82 GLY CA C 13 45.696 0.2 . 1 . . . . . 82 GLY CA . 53131 1 242 . 1 . 1 82 82 GLY N N 15 99.233 0.2 . 1 . . . . . 82 GLY N . 53131 1 243 . 1 . 1 83 83 ASP H H 1 7.687 0.02 . 1 . . . . . 83 ASP H . 53131 1 244 . 1 . 1 83 83 ASP CA C 13 54.277 0.2 . 1 . . . . . 83 ASP CA . 53131 1 245 . 1 . 1 83 83 ASP CB C 13 39.795 0.2 . 1 . . . . . 83 ASP CB . 53131 1 246 . 1 . 1 83 83 ASP N N 15 120.46 0.2 . 1 . . . . . 83 ASP N . 53131 1 247 . 1 . 1 84 84 SER H H 1 7.181 0.02 . 1 . . . . . 84 SER H . 53131 1 248 . 1 . 1 84 84 SER CA C 13 56.075 0.2 . 1 . . . . . 84 SER CA . 53131 1 249 . 1 . 1 84 84 SER CB C 13 64.356 0.2 . 1 . . . . . 84 SER CB . 53131 1 250 . 1 . 1 84 84 SER N N 15 112.82 0.2 . 1 . . . . . 84 SER N . 53131 1 251 . 1 . 1 85 85 ASP H H 1 8.718 0.02 . 1 . . . . . 85 ASP H . 53131 1 252 . 1 . 1 85 85 ASP CA C 13 54.539 0.2 . 1 . . . . . 85 ASP CA . 53131 1 253 . 1 . 1 85 85 ASP CB C 13 41.292 0.2 . 1 . . . . . 85 ASP CB . 53131 1 254 . 1 . 1 85 85 ASP N N 15 125.45 0.2 . 1 . . . . . 85 ASP N . 53131 1 255 . 1 . 1 86 86 SER H H 1 7.786 0.02 . 1 . . . . . 86 SER H . 53131 1 256 . 1 . 1 86 86 SER CA C 13 56.045 0.2 . 1 . . . . . 86 SER CA . 53131 1 257 . 1 . 1 86 86 SER CB C 13 62.025 0.2 . 1 . . . . . 86 SER CB . 53131 1 258 . 1 . 1 86 86 SER N N 15 115.16 0.2 . 1 . . . . . 86 SER N . 53131 1 259 . 1 . 1 87 87 GLU CA C 13 61.710 0.2 . 1 . . . . . 87 GLU CA . 53131 1 260 . 1 . 1 87 87 GLU CB C 13 32.010 0.2 . 1 . . . . . 87 GLU CB . 53131 1 261 . 1 . 1 88 88 GLN H H 1 7.884 0.02 . 1 . . . . . 88 GLN H . 53131 1 262 . 1 . 1 88 88 GLN CA C 13 62.131 0.2 . 1 . . . . . 88 GLN CA . 53131 1 263 . 1 . 1 88 88 GLN CB C 13 32.241 0.2 . 1 . . . . . 88 GLN CB . 53131 1 264 . 1 . 1 88 88 GLN N N 15 119.74 0.2 . 1 . . . . . 88 GLN N . 53131 1 265 . 1 . 1 89 89 MET H H 1 7.820 0.02 . 1 . . . . . 89 MET H . 53131 1 266 . 1 . 1 89 89 MET CA C 13 60.253 0.2 . 1 . . . . . 89 MET CA . 53131 1 267 . 1 . 1 89 89 MET CB C 13 38.680 0.2 . 1 . . . . . 89 MET CB . 53131 1 268 . 1 . 1 89 89 MET N N 15 123.28 0.2 . 1 . . . . . 89 MET N . 53131 1 269 . 1 . 1 90 90 ARG CA C 13 57.933 0.2 . 1 . . . . . 90 ARG CA . 53131 1 270 . 1 . 1 90 90 ARG CB C 13 31.468 0.2 . 1 . . . . . 90 ARG CB . 53131 1 271 . 1 . 1 91 91 ARG H H 1 7.201 0.02 . 1 . . . . . 91 ARG H . 53131 1 272 . 1 . 1 91 91 ARG CA C 13 55.372 0.2 . 1 . . . . . 91 ARG CA . 53131 1 273 . 1 . 1 91 91 ARG CB C 13 30.253 0.2 . 1 . . . . . 91 ARG CB . 53131 1 274 . 1 . 1 91 91 ARG N N 15 116.95 0.2 . 1 . . . . . 91 ARG N . 53131 1 275 . 1 . 1 92 92 LEU H H 1 7.217 0.02 . 1 . . . . . 92 LEU H . 53131 1 276 . 1 . 1 92 92 LEU CA C 13 54.177 0.2 . 1 . . . . . 92 LEU CA . 53131 1 277 . 1 . 1 92 92 LEU CB C 13 42.376 0.2 . 1 . . . . . 92 LEU CB . 53131 1 278 . 1 . 1 92 92 LEU N N 15 121.21 0.2 . 1 . . . . . 92 LEU N . 53131 1 279 . 1 . 1 93 93 ASP H H 1 10.295 0.02 . 1 . . . . . 93 ASP H . 53131 1 280 . 1 . 1 93 93 ASP CA C 13 54.383 0.2 . 1 . . . . . 93 ASP CA . 53131 1 281 . 1 . 1 93 93 ASP CB C 13 40.345 0.2 . 1 . . . . . 93 ASP CB . 53131 1 282 . 1 . 1 93 93 ASP N N 15 120.89 0.2 . 1 . . . . . 93 ASP N . 53131 1 283 . 1 . 1 94 94 LYS H H 1 8.108 0.02 . 1 . . . . . 94 LYS H . 53131 1 284 . 1 . 1 94 94 LYS CA C 13 56.647 0.2 . 1 . . . . . 94 LYS CA . 53131 1 285 . 1 . 1 94 94 LYS CB C 13 32.172 0.2 . 1 . . . . . 94 LYS CB . 53131 1 286 . 1 . 1 94 94 LYS N N 15 120.39 0.2 . 1 . . . . . 94 LYS N . 53131 1 287 . 1 . 1 95 95 ARG H H 1 8.732 0.02 . 1 . . . . . 95 ARG H . 53131 1 288 . 1 . 1 95 95 ARG CA C 13 55.315 0.2 . 1 . . . . . 95 ARG CA . 53131 1 289 . 1 . 1 95 95 ARG CB C 13 32.319 0.2 . 1 . . . . . 95 ARG CB . 53131 1 290 . 1 . 1 95 95 ARG N N 15 123.21 0.2 . 1 . . . . . 95 ARG N . 53131 1 291 . 1 . 1 96 96 LYS H H 1 9.374 0.02 . 1 . . . . . 96 LYS H . 53131 1 292 . 1 . 1 96 96 LYS CA C 13 57.728 0.2 . 1 . . . . . 96 LYS CA . 53131 1 293 . 1 . 1 96 96 LYS CB C 13 33.749 0.2 . 1 . . . . . 96 LYS CB . 53131 1 294 . 1 . 1 96 96 LYS N N 15 120.39 0.2 . 1 . . . . . 96 LYS N . 53131 1 295 . 1 . 1 97 97 SER H H 1 8.741 0.02 . 1 . . . . . 97 SER H . 53131 1 296 . 1 . 1 97 97 SER CA C 13 58.894 0.2 . 1 . . . . . 97 SER CA . 53131 1 297 . 1 . 1 97 97 SER CB C 13 63.919 0.2 . 1 . . . . . 97 SER CB . 53131 1 298 . 1 . 1 97 97 SER N N 15 118.03 0.2 . 1 . . . . . 97 SER N . 53131 1 299 . 1 . 1 98 98 THR H H 1 7.795 0.02 . 1 . . . . . 98 THR H . 53131 1 300 . 1 . 1 98 98 THR CA C 13 59.870 0.2 . 1 . . . . . 98 THR CA . 53131 1 301 . 1 . 1 98 98 THR CB C 13 71.463 0.2 . 1 . . . . . 98 THR CB . 53131 1 302 . 1 . 1 98 98 THR N N 15 110.62 0.2 . 1 . . . . . 98 THR N . 53131 1 303 . 1 . 1 99 99 VAL H H 1 7.191 0.02 . 1 . . . . . 99 VAL H . 53131 1 304 . 1 . 1 99 99 VAL CA C 13 60.430 0.2 . 1 . . . . . 99 VAL CA . 53131 1 305 . 1 . 1 99 99 VAL CB C 13 32.202 0.2 . 1 . . . . . 99 VAL CB . 53131 1 306 . 1 . 1 99 99 VAL N N 15 119.87 0.2 . 1 . . . . . 99 VAL N . 53131 1 307 . 1 . 1 100 100 MET H H 1 8.486 0.02 . 1 . . . . . 100 MET H . 53131 1 308 . 1 . 1 100 100 MET CA C 13 51.574 0.2 . 1 . . . . . 100 MET CA . 53131 1 309 . 1 . 1 100 100 MET CB C 13 32.860 0.2 . 1 . . . . . 100 MET CB . 53131 1 310 . 1 . 1 100 100 MET N N 15 128.78 0.2 . 1 . . . . . 100 MET N . 53131 1 311 . 1 . 1 101 101 ALA H H 1 9.010 0.02 . 1 . . . . . 101 ALA H . 53131 1 312 . 1 . 1 101 101 ALA CA C 13 50.755 0.2 . 1 . . . . . 101 ALA CA . 53131 1 313 . 1 . 1 101 101 ALA CB C 13 23.510 0.2 . 1 . . . . . 101 ALA CB . 53131 1 314 . 1 . 1 101 101 ALA N N 15 120.60 0.2 . 1 . . . . . 101 ALA N . 53131 1 315 . 1 . 1 102 102 GLY H H 1 8.829 0.02 . 1 . . . . . 102 GLY H . 53131 1 316 . 1 . 1 102 102 GLY CA C 13 46.623 0.2 . 1 . . . . . 102 GLY CA . 53131 1 317 . 1 . 1 102 102 GLY N N 15 106.49 0.2 . 1 . . . . . 102 GLY N . 53131 1 318 . 1 . 1 103 103 LEU H H 1 8.795 0.02 . 1 . . . . . 103 LEU H . 53131 1 319 . 1 . 1 103 103 LEU CA C 13 53.118 0.2 . 1 . . . . . 103 LEU CA . 53131 1 320 . 1 . 1 103 103 LEU CB C 13 46.626 0.2 . 1 . . . . . 103 LEU CB . 53131 1 321 . 1 . 1 103 103 LEU N N 15 124.86 0.2 . 1 . . . . . 103 LEU N . 53131 1 322 . 1 . 1 104 104 SER H H 1 9.057 0.02 . 1 . . . . . 104 SER H . 53131 1 323 . 1 . 1 104 104 SER CA C 13 56.415 0.2 . 1 . . . . . 104 SER CA . 53131 1 324 . 1 . 1 104 104 SER CB C 13 65.119 0.2 . 1 . . . . . 104 SER CB . 53131 1 325 . 1 . 1 104 104 SER N N 15 115.50 0.2 . 1 . . . . . 104 SER N . 53131 1 326 . 1 . 1 105 105 TYR H H 1 9.720 0.02 . 1 . . . . . 105 TYR H . 53131 1 327 . 1 . 1 105 105 TYR CA C 13 55.631 0.2 . 1 . . . . . 105 TYR CA . 53131 1 328 . 1 . 1 105 105 TYR CB C 13 42.595 0.2 . 1 . . . . . 105 TYR CB . 53131 1 329 . 1 . 1 105 105 TYR N N 15 129.49 0.2 . 1 . . . . . 105 TYR N . 53131 1 330 . 1 . 1 106 106 VAL H H 1 8.134 0.02 . 1 . . . . . 106 VAL H . 53131 1 331 . 1 . 1 106 106 VAL CA C 13 59.258 0.2 . 1 . . . . . 106 VAL CA . 53131 1 332 . 1 . 1 106 106 VAL CB C 13 35.464 0.2 . 1 . . . . . 106 VAL CB . 53131 1 333 . 1 . 1 106 106 VAL N N 15 128.09 0.2 . 1 . . . . . 106 VAL N . 53131 1 334 . 1 . 1 107 107 HIS H H 1 8.251 0.02 . 1 . . . . . 107 HIS H . 53131 1 335 . 1 . 1 107 107 HIS CA C 13 54.663 0.2 . 1 . . . . . 107 HIS CA . 53131 1 336 . 1 . 1 107 107 HIS N N 15 111.85 0.2 . 1 . . . . . 107 HIS N . 53131 1 337 . 1 . 1 111 111 TYR CA C 13 56.271 0.2 . 1 . . . . . 111 TYR CA . 53131 1 338 . 1 . 1 111 111 TYR CB C 13 47.245 0.2 . 1 . . . . . 111 TYR CB . 53131 1 339 . 1 . 1 112 112 GLY H H 1 8.016 0.02 . 1 . . . . . 112 GLY H . 53131 1 340 . 1 . 1 112 112 GLY CA C 13 44.065 0.2 . 1 . . . . . 112 GLY CA . 53131 1 341 . 1 . 1 112 112 GLY N N 15 103.80 0.2 . 1 . . . . . 112 GLY N . 53131 1 342 . 1 . 1 113 113 PHE H H 1 8.734 0.02 . 1 . . . . . 113 PHE H . 53131 1 343 . 1 . 1 113 113 PHE CA C 13 53.520 0.2 . 1 . . . . . 113 PHE CA . 53131 1 344 . 1 . 1 113 113 PHE CB C 13 41.429 0.2 . 1 . . . . . 113 PHE CB . 53131 1 345 . 1 . 1 113 113 PHE N N 15 118.32 0.2 . 1 . . . . . 113 PHE N . 53131 1 346 . 1 . 1 114 114 LEU H H 1 7.862 0.02 . 1 . . . . . 114 LEU H . 53131 1 347 . 1 . 1 114 114 LEU CA C 13 52.834 0.2 . 1 . . . . . 114 LEU CA . 53131 1 348 . 1 . 1 114 114 LEU CB C 13 44.387 0.2 . 1 . . . . . 114 LEU CB . 53131 1 349 . 1 . 1 114 114 LEU N N 15 122.02 0.2 . 1 . . . . . 114 LEU N . 53131 1 350 . 1 . 1 115 115 ARG H H 1 8.756 0.02 . 1 . . . . . 115 ARG H . 53131 1 351 . 1 . 1 115 115 ARG CA C 13 54.057 0.2 . 1 . . . . . 115 ARG CA . 53131 1 352 . 1 . 1 115 115 ARG CB C 13 34.277 0.2 . 1 . . . . . 115 ARG CB . 53131 1 353 . 1 . 1 115 115 ARG N N 15 127.68 0.2 . 1 . . . . . 115 ARG N . 53131 1 354 . 1 . 1 116 116 THR H H 1 9.655 0.02 . 1 . . . . . 116 THR H . 53131 1 355 . 1 . 1 116 116 THR CA C 13 58.732 0.2 . 1 . . . . . 116 THR CA . 53131 1 356 . 1 . 1 116 116 THR CB C 13 70.365 0.2 . 1 . . . . . 116 THR CB . 53131 1 357 . 1 . 1 116 116 THR N N 15 126.39 0.2 . 1 . . . . . 116 THR N . 53131 1 358 . 1 . 1 117 117 THR H H 1 8.955 0.02 . 1 . . . . . 117 THR H . 53131 1 359 . 1 . 1 117 117 THR CA C 13 61.205 0.2 . 1 . . . . . 117 THR CA . 53131 1 360 . 1 . 1 117 117 THR CB C 13 72.110 0.2 . 1 . . . . . 117 THR CB . 53131 1 361 . 1 . 1 117 117 THR N N 15 123.83 0.2 . 1 . . . . . 117 THR N . 53131 1 362 . 1 . 1 118 118 ILE H H 1 8.958 0.02 . 1 . . . . . 118 ILE H . 53131 1 363 . 1 . 1 118 118 ILE CA C 13 58.312 0.2 . 1 . . . . . 118 ILE CA . 53131 1 364 . 1 . 1 118 118 ILE CB C 13 40.751 0.2 . 1 . . . . . 118 ILE CB . 53131 1 365 . 1 . 1 118 118 ILE N N 15 126.10 0.2 . 1 . . . . . 118 ILE N . 53131 1 366 . 1 . 1 119 119 ALA H H 1 8.910 0.02 . 1 . . . . . 119 ALA H . 53131 1 367 . 1 . 1 119 119 ALA CA C 13 51.290 0.2 . 1 . . . . . 119 ALA CA . 53131 1 368 . 1 . 1 119 119 ALA CB C 13 23.305 0.2 . 1 . . . . . 119 ALA CB . 53131 1 369 . 1 . 1 119 119 ALA N N 15 128.22 0.2 . 1 . . . . . 119 ALA N . 53131 1 370 . 1 . 1 120 120 GLY H H 1 8.892 0.02 . 1 . . . . . 120 GLY H . 53131 1 371 . 1 . 1 120 120 GLY CA C 13 43.742 0.2 . 1 . . . . . 120 GLY CA . 53131 1 372 . 1 . 1 120 120 GLY N N 15 104.91 0.2 . 1 . . . . . 120 GLY N . 53131 1 373 . 1 . 1 121 121 ASP H H 1 7.793 0.02 . 1 . . . . . 121 ASP H . 53131 1 374 . 1 . 1 121 121 ASP CA C 13 55.372 0.2 . 1 . . . . . 121 ASP CA . 53131 1 375 . 1 . 1 121 121 ASP CB C 13 41.847 0.2 . 1 . . . . . 121 ASP CB . 53131 1 376 . 1 . 1 121 121 ASP N N 15 119.99 0.2 . 1 . . . . . 121 ASP N . 53131 1 377 . 1 . 1 128 128 GLY CA C 13 44.155 0.2 . 1 . . . . . 128 GLY CA . 53131 1 378 . 1 . 1 129 129 ILE H H 1 7.576 0.02 . 1 . . . . . 129 ILE H . 53131 1 379 . 1 . 1 129 129 ILE CA C 13 59.248 0.2 . 1 . . . . . 129 ILE CA . 53131 1 380 . 1 . 1 129 129 ILE CB C 13 41.822 0.2 . 1 . . . . . 129 ILE CB . 53131 1 381 . 1 . 1 129 129 ILE N N 15 118.88 0.2 . 1 . . . . . 129 ILE N . 53131 1 382 . 1 . 1 130 130 ASN H H 1 8.857 0.02 . 1 . . . . . 130 ASN H . 53131 1 383 . 1 . 1 130 130 ASN CA C 13 51.770 0.2 . 1 . . . . . 130 ASN CA . 53131 1 384 . 1 . 1 130 130 ASN CB C 13 44.696 0.2 . 1 . . . . . 130 ASN CB . 53131 1 385 . 1 . 1 130 130 ASN N N 15 123.69 0.2 . 1 . . . . . 130 ASN N . 53131 1 386 . 1 . 1 131 131 TRP H H 1 9.535 0.02 . 1 . . . . . 131 TRP H . 53131 1 387 . 1 . 1 131 131 TRP CA C 13 53.996 0.2 . 1 . . . . . 131 TRP CA . 53131 1 388 . 1 . 1 131 131 TRP CB C 13 32.010 0.2 . 1 . . . . . 131 TRP CB . 53131 1 389 . 1 . 1 131 131 TRP N N 15 127.41 0.2 . 1 . . . . . 131 TRP N . 53131 1 390 . 1 . 1 132 132 ASP H H 1 9.210 0.02 . 1 . . . . . 132 ASP H . 53131 1 391 . 1 . 1 132 132 ASP CA C 13 52.960 0.2 . 1 . . . . . 132 ASP CA . 53131 1 392 . 1 . 1 132 132 ASP CB C 13 43.845 0.2 . 1 . . . . . 132 ASP CB . 53131 1 393 . 1 . 1 132 132 ASP N N 15 129.13 0.2 . 1 . . . . . 132 ASP N . 53131 1 394 . 1 . 1 133 133 LEU H H 1 9.193 0.02 . 1 . . . . . 133 LEU H . 53131 1 395 . 1 . 1 133 133 LEU CA C 13 54.991 0.2 . 1 . . . . . 133 LEU CA . 53131 1 396 . 1 . 1 133 133 LEU CB C 13 44.940 0.2 . 1 . . . . . 133 LEU CB . 53131 1 397 . 1 . 1 133 133 LEU N N 15 133.32 0.2 . 1 . . . . . 133 LEU N . 53131 1 398 . 1 . 1 134 134 ALA H H 1 8.413 0.02 . 1 . . . . . 134 ALA H . 53131 1 399 . 1 . 1 134 134 ALA CA C 13 51.534 0.2 . 1 . . . . . 134 ALA CA . 53131 1 400 . 1 . 1 134 134 ALA CB C 13 23.818 0.2 . 1 . . . . . 134 ALA CB . 53131 1 401 . 1 . 1 134 134 ALA N N 15 124.59 0.2 . 1 . . . . . 134 ALA N . 53131 1 402 . 1 . 1 135 135 TRP H H 1 8.733 0.02 . 1 . . . . . 135 TRP H . 53131 1 403 . 1 . 1 135 135 TRP CA C 13 55.724 0.2 . 1 . . . . . 135 TRP CA . 53131 1 404 . 1 . 1 135 135 TRP CB C 13 31.760 0.2 . 1 . . . . . 135 TRP CB . 53131 1 405 . 1 . 1 135 135 TRP N N 15 121.67 0.2 . 1 . . . . . 135 TRP N . 53131 1 406 . 1 . 1 136 136 LEU H H 1 7.673 0.02 . 1 . . . . . 136 LEU H . 53131 1 407 . 1 . 1 136 136 LEU CA C 13 53.764 0.2 . 1 . . . . . 136 LEU CA . 53131 1 408 . 1 . 1 136 136 LEU CB C 13 44.140 0.2 . 1 . . . . . 136 LEU CB . 53131 1 409 . 1 . 1 136 136 LEU N N 15 125.58 0.2 . 1 . . . . . 136 LEU N . 53131 1 410 . 1 . 1 137 137 TYR H H 1 7.538 0.02 . 1 . . . . . 137 TYR H . 53131 1 411 . 1 . 1 137 137 TYR CA C 13 57.673 0.2 . 1 . . . . . 137 TYR CA . 53131 1 412 . 1 . 1 137 137 TYR CB C 13 43.072 0.2 . 1 . . . . . 137 TYR CB . 53131 1 413 . 1 . 1 137 137 TYR N N 15 118.25 0.2 . 1 . . . . . 137 TYR N . 53131 1 414 . 1 . 1 138 138 ARG H H 1 7.792 0.02 . 1 . . . . . 138 ARG H . 53131 1 415 . 1 . 1 138 138 ARG CA C 13 54.908 0.2 . 1 . . . . . 138 ARG CA . 53131 1 416 . 1 . 1 138 138 ARG CB C 13 30.385 0.2 . 1 . . . . . 138 ARG CB . 53131 1 417 . 1 . 1 138 138 ARG N N 15 126.58 0.2 . 1 . . . . . 138 ARG N . 53131 1 418 . 1 . 1 139 139 TYR H H 1 9.425 0.02 . 1 . . . . . 139 TYR H . 53131 1 419 . 1 . 1 139 139 TYR CA C 13 56.922 0.2 . 1 . . . . . 139 TYR CA . 53131 1 420 . 1 . 1 139 139 TYR CB C 13 40.364 0.2 . 1 . . . . . 139 TYR CB . 53131 1 421 . 1 . 1 139 139 TYR N N 15 131.67 0.2 . 1 . . . . . 139 TYR N . 53131 1 422 . 1 . 1 140 140 THR H H 1 7.676 0.02 . 1 . . . . . 140 THR H . 53131 1 423 . 1 . 1 140 140 THR CA C 13 59.604 0.2 . 1 . . . . . 140 THR CA . 53131 1 424 . 1 . 1 140 140 THR CB C 13 70.570 0.2 . 1 . . . . . 140 THR CB . 53131 1 425 . 1 . 1 140 140 THR N N 15 121.76 0.2 . 1 . . . . . 140 THR N . 53131 1 426 . 1 . 1 141 141 ASN H H 1 8.336 0.02 . 1 . . . . . 141 ASN H . 53131 1 427 . 1 . 1 141 141 ASN CA C 13 52.542 0.2 . 1 . . . . . 141 ASN CA . 53131 1 428 . 1 . 1 141 141 ASN CB C 13 39.978 0.2 . 1 . . . . . 141 ASN CB . 53131 1 429 . 1 . 1 141 141 ASN N N 15 122.59 0.2 . 1 . . . . . 141 ASN N . 53131 1 430 . 1 . 1 143 143 ASN CA C 13 53.724 0.2 . 1 . . . . . 143 ASN CA . 53131 1 431 . 1 . 1 143 143 ASN CB C 13 38.343 0.2 . 1 . . . . . 143 ASN CB . 53131 1 432 . 1 . 1 144 144 LEU H H 1 8.239 0.02 . 1 . . . . . 144 LEU H . 53131 1 433 . 1 . 1 144 144 LEU CA C 13 54.306 0.2 . 1 . . . . . 144 LEU CA . 53131 1 434 . 1 . 1 144 144 LEU CB C 13 44.857 0.2 . 1 . . . . . 144 LEU CB . 53131 1 435 . 1 . 1 144 144 LEU N N 15 125.14 0.2 . 1 . . . . . 144 LEU N . 53131 1 436 . 1 . 1 145 145 THR H H 1 9.078 0.02 . 1 . . . . . 145 THR H . 53131 1 437 . 1 . 1 145 145 THR CA C 13 61.715 0.2 . 1 . . . . . 145 THR CA . 53131 1 438 . 1 . 1 145 145 THR CB C 13 70.689 0.2 . 1 . . . . . 145 THR CB . 53131 1 439 . 1 . 1 145 145 THR N N 15 123.35 0.2 . 1 . . . . . 145 THR N . 53131 1 440 . 1 . 1 146 146 LEU H H 1 9.624 0.02 . 1 . . . . . 146 LEU H . 53131 1 441 . 1 . 1 146 146 LEU CA C 13 53.825 0.2 . 1 . . . . . 146 LEU CA . 53131 1 442 . 1 . 1 146 146 LEU CB C 13 46.862 0.2 . 1 . . . . . 146 LEU CB . 53131 1 443 . 1 . 1 146 146 LEU N N 15 128.44 0.2 . 1 . . . . . 146 LEU N . 53131 1 444 . 1 . 1 147 147 THR H H 1 9.095 0.02 . 1 . . . . . 147 THR H . 53131 1 445 . 1 . 1 147 147 THR CA C 13 58.083 0.2 . 1 . . . . . 147 THR CA . 53131 1 446 . 1 . 1 147 147 THR CB C 13 68.987 0.2 . 1 . . . . . 147 THR CB . 53131 1 447 . 1 . 1 147 147 THR N N 15 118.19 0.2 . 1 . . . . . 147 THR N . 53131 1 448 . 1 . 1 148 148 PRO CA C 13 61.352 0.2 . 1 . . . . . 148 PRO CA . 53131 1 449 . 1 . 1 148 148 PRO CB C 13 33.015 0.2 . 1 . . . . . 148 PRO CB . 53131 1 450 . 1 . 1 149 149 GLY H H 1 8.926 0.02 . 1 . . . . . 149 GLY H . 53131 1 451 . 1 . 1 149 149 GLY CA C 13 46.089 0.2 . 1 . . . . . 149 GLY CA . 53131 1 452 . 1 . 1 149 149 GLY N N 15 105.46 0.2 . 1 . . . . . 149 GLY N . 53131 1 453 . 1 . 1 150 150 ILE H H 1 8.322 0.02 . 1 . . . . . 150 ILE H . 53131 1 454 . 1 . 1 150 150 ILE CA C 13 58.563 0.2 . 1 . . . . . 150 ILE CA . 53131 1 455 . 1 . 1 150 150 ILE CB C 13 41.138 0.2 . 1 . . . . . 150 ILE CB . 53131 1 456 . 1 . 1 150 150 ILE N N 15 118.74 0.2 . 1 . . . . . 150 ILE N . 53131 1 457 . 1 . 1 151 151 GLY H H 1 7.807 0.02 . 1 . . . . . 151 GLY H . 53131 1 458 . 1 . 1 151 151 GLY CA C 13 44.774 0.2 . 1 . . . . . 151 GLY CA . 53131 1 459 . 1 . 1 151 151 GLY N N 15 111.30 0.2 . 1 . . . . . 151 GLY N . 53131 1 460 . 1 . 1 152 152 VAL H H 1 9.117 0.02 . 1 . . . . . 152 VAL H . 53131 1 461 . 1 . 1 152 152 VAL CA C 13 59.472 0.2 . 1 . . . . . 152 VAL CA . 53131 1 462 . 1 . 1 152 152 VAL CB C 13 35.336 0.2 . 1 . . . . . 152 VAL CB . 53131 1 463 . 1 . 1 152 152 VAL N N 15 115.43 0.2 . 1 . . . . . 152 VAL N . 53131 1 464 . 1 . 1 153 153 GLU H H 1 8.623 0.02 . 1 . . . . . 153 GLU H . 53131 1 465 . 1 . 1 153 153 GLU CA C 13 52.898 0.2 . 1 . . . . . 153 GLU CA . 53131 1 466 . 1 . 1 153 153 GLU CB C 13 32.628 0.2 . 1 . . . . . 153 GLU CB . 53131 1 467 . 1 . 1 153 153 GLU N N 15 123.07 0.2 . 1 . . . . . 153 GLU N . 53131 1 468 . 1 . 1 154 154 TRP H H 1 9.870 0.02 . 1 . . . . . 154 TRP H . 53131 1 469 . 1 . 1 154 154 TRP CA C 13 56.339 0.2 . 1 . . . . . 154 TRP CA . 53131 1 470 . 1 . 1 154 154 TRP CB C 13 29.954 0.2 . 1 . . . . . 154 TRP CB . 53131 1 471 . 1 . 1 154 154 TRP N N 15 127.82 0.2 . 1 . . . . . 154 TRP N . 53131 1 472 . 1 . 1 155 155 ASN H H 1 7.753 0.02 . 1 . . . . . 155 ASN H . 53131 1 473 . 1 . 1 155 155 ASN CA C 13 49.668 0.2 . 1 . . . . . 155 ASN CA . 53131 1 474 . 1 . 1 155 155 ASN CB C 13 40.906 0.2 . 1 . . . . . 155 ASN CB . 53131 1 475 . 1 . 1 155 155 ASN N N 15 125.34 0.2 . 1 . . . . . 155 ASN N . 53131 1 476 . 1 . 1 156 156 SER H H 1 7.455 0.02 . 1 . . . . . 156 SER H . 53131 1 477 . 1 . 1 156 156 SER CA C 13 56.740 0.2 . 1 . . . . . 156 SER CA . 53131 1 478 . 1 . 1 156 156 SER CB C 13 64.114 0.2 . 1 . . . . . 156 SER CB . 53131 1 479 . 1 . 1 156 156 SER N N 15 114.33 0.2 . 1 . . . . . 156 SER N . 53131 1 480 . 1 . 1 157 157 ASP H H 1 8.885 0.02 . 1 . . . . . 157 ASP H . 53131 1 481 . 1 . 1 157 157 ASP CA C 13 57.468 0.2 . 1 . . . . . 157 ASP CA . 53131 1 482 . 1 . 1 157 157 ASP CB C 13 38.275 0.2 . 1 . . . . . 157 ASP CB . 53131 1 483 . 1 . 1 157 157 ASP N N 15 121.35 0.2 . 1 . . . . . 157 ASP N . 53131 1 484 . 1 . 1 158 158 ASN H H 1 8.473 0.02 . 1 . . . . . 158 ASN H . 53131 1 485 . 1 . 1 158 158 ASN CA C 13 55.604 0.2 . 1 . . . . . 158 ASN CA . 53131 1 486 . 1 . 1 158 158 ASN CB C 13 37.865 0.2 . 1 . . . . . 158 ASN CB . 53131 1 487 . 1 . 1 158 158 ASN N N 15 118.35 0.2 . 1 . . . . . 158 ASN N . 53131 1 488 . 1 . 1 159 159 GLN H H 1 7.058 0.02 . 1 . . . . . 159 GLN H . 53131 1 489 . 1 . 1 159 159 GLN CA C 13 58.669 0.2 . 1 . . . . . 159 GLN CA . 53131 1 490 . 1 . 1 159 159 GLN CB C 13 28.064 0.2 . 1 . . . . . 159 GLN CB . 53131 1 491 . 1 . 1 159 159 GLN N N 15 120.80 0.2 . 1 . . . . . 159 GLN N . 53131 1 492 . 1 . 1 160 160 ASN CA C 13 59.555 0.2 . 1 . . . . . 160 ASN CA . 53131 1 493 . 1 . 1 160 160 ASN CB C 13 36.650 0.2 . 1 . . . . . 160 ASN CB . 53131 1 494 . 1 . 1 161 161 GLU H H 1 7.530 0.02 . 1 . . . . . 161 GLU H . 53131 1 495 . 1 . 1 161 161 GLU CA C 13 58.071 0.2 . 1 . . . . . 161 GLU CA . 53131 1 496 . 1 . 1 161 161 GLU CB C 13 28.151 0.2 . 1 . . . . . 161 GLU CB . 53131 1 497 . 1 . 1 161 161 GLU N N 15 116.47 0.2 . 1 . . . . . 161 GLU N . 53131 1 498 . 1 . 1 162 162 TYR H H 1 6.974 0.02 . 1 . . . . . 162 TYR H . 53131 1 499 . 1 . 1 162 162 TYR CA C 13 56.579 0.2 . 1 . . . . . 162 TYR CA . 53131 1 500 . 1 . 1 162 162 TYR CB C 13 41.447 0.2 . 1 . . . . . 162 TYR CB . 53131 1 501 . 1 . 1 162 162 TYR N N 15 121.14 0.2 . 1 . . . . . 162 TYR N . 53131 1 502 . 1 . 1 163 163 TYR H H 1 7.375 0.02 . 1 . . . . . 163 TYR H . 53131 1 503 . 1 . 1 163 163 TYR CA C 13 58.456 0.2 . 1 . . . . . 163 TYR CA . 53131 1 504 . 1 . 1 163 163 TYR CB C 13 38.121 0.2 . 1 . . . . . 163 TYR CB . 53131 1 505 . 1 . 1 163 163 TYR N N 15 116.81 0.2 . 1 . . . . . 163 TYR N . 53131 1 506 . 1 . 1 164 164 TYR H H 1 7.533 0.02 . 1 . . . . . 164 TYR H . 53131 1 507 . 1 . 1 164 164 TYR CA C 13 55.588 0.2 . 1 . . . . . 164 TYR CA . 53131 1 508 . 1 . 1 164 164 TYR CB C 13 42.221 0.2 . 1 . . . . . 164 TYR CB . 53131 1 509 . 1 . 1 164 164 TYR N N 15 120.59 0.2 . 1 . . . . . 164 TYR N . 53131 1 510 . 1 . 1 169 169 HIS CA C 13 59.286 0.2 . 1 . . . . . 169 HIS CA . 53131 1 511 . 1 . 1 170 170 GLU H H 1 7.473 0.02 . 1 . . . . . 170 GLU H . 53131 1 512 . 1 . 1 170 170 GLU CA C 13 59.043 0.2 . 1 . . . . . 170 GLU CA . 53131 1 513 . 1 . 1 170 170 GLU CB C 13 31.018 0.2 . 1 . . . . . 170 GLU CB . 53131 1 514 . 1 . 1 170 170 GLU N N 15 120.80 0.2 . 1 . . . . . 170 GLU N . 53131 1 515 . 1 . 1 171 171 SER H H 1 8.582 0.02 . 1 . . . . . 171 SER H . 53131 1 516 . 1 . 1 171 171 SER CA C 13 60.014 0.2 . 1 . . . . . 171 SER CA . 53131 1 517 . 1 . 1 171 171 SER CB C 13 63.185 0.2 . 1 . . . . . 171 SER CB . 53131 1 518 . 1 . 1 171 171 SER N N 15 119.42 0.2 . 1 . . . . . 171 SER N . 53131 1 519 . 1 . 1 172 172 ARG H H 1 7.618 0.02 . 1 . . . . . 172 ARG H . 53131 1 520 . 1 . 1 172 172 ARG CA C 13 58.601 0.2 . 1 . . . . . 172 ARG CA . 53131 1 521 . 1 . 1 172 172 ARG CB C 13 29.547 0.2 . 1 . . . . . 172 ARG CB . 53131 1 522 . 1 . 1 172 172 ARG N N 15 120.27 0.2 . 1 . . . . . 172 ARG N . 53131 1 523 . 1 . 1 173 173 ARG H H 1 7.278 0.02 . 1 . . . . . 173 ARG H . 53131 1 524 . 1 . 1 173 173 ARG CA C 13 57.916 0.2 . 1 . . . . . 173 ARG CA . 53131 1 525 . 1 . 1 173 173 ARG CB C 13 31.229 0.2 . 1 . . . . . 173 ARG CB . 53131 1 526 . 1 . 1 173 173 ARG N N 15 115.85 0.2 . 1 . . . . . 173 ARG N . 53131 1 527 . 1 . 1 174 174 SER H H 1 8.130 0.02 . 1 . . . . . 174 SER H . 53131 1 528 . 1 . 1 174 174 SER CA C 13 59.648 0.2 . 1 . . . . . 174 SER CA . 53131 1 529 . 1 . 1 174 174 SER CB C 13 66.799 0.2 . 1 . . . . . 174 SER CB . 53131 1 530 . 1 . 1 174 174 SER N N 15 112.41 0.2 . 1 . . . . . 174 SER N . 53131 1 531 . 1 . 1 175 175 GLY H H 1 8.049 0.02 . 1 . . . . . 175 GLY H . 53131 1 532 . 1 . 1 175 175 GLY CA C 13 45.393 0.2 . 1 . . . . . 175 GLY CA . 53131 1 533 . 1 . 1 175 175 GLY N N 15 112.34 0.2 . 1 . . . . . 175 GLY N . 53131 1 534 . 1 . 1 176 176 MET H H 1 7.803 0.02 . 1 . . . . . 176 MET H . 53131 1 535 . 1 . 1 176 176 MET CA C 13 54.830 0.2 . 1 . . . . . 176 MET CA . 53131 1 536 . 1 . 1 176 176 MET CB C 13 34.415 0.2 . 1 . . . . . 176 MET CB . 53131 1 537 . 1 . 1 176 176 MET N N 15 120.87 0.2 . 1 . . . . . 176 MET N . 53131 1 538 . 1 . 1 177 177 ARG H H 1 8.124 0.02 . 1 . . . . . 177 ARG H . 53131 1 539 . 1 . 1 177 177 ARG CA C 13 55.866 0.2 . 1 . . . . . 177 ARG CA . 53131 1 540 . 1 . 1 177 177 ARG CB C 13 29.635 0.2 . 1 . . . . . 177 ARG CB . 53131 1 541 . 1 . 1 177 177 ARG N N 15 123.55 0.2 . 1 . . . . . 177 ARG N . 53131 1 542 . 1 . 1 178 178 SER H H 1 7.562 0.02 . 1 . . . . . 178 SER H . 53131 1 543 . 1 . 1 178 178 SER CA C 13 58.347 0.2 . 1 . . . . . 178 SER CA . 53131 1 544 . 1 . 1 178 178 SER CB C 13 63.062 0.2 . 1 . . . . . 178 SER CB . 53131 1 545 . 1 . 1 178 178 SER N N 15 113.58 0.2 . 1 . . . . . 178 SER N . 53131 1 546 . 1 . 1 179 179 TYR H H 1 9.008 0.02 . 1 . . . . . 179 TYR H . 53131 1 547 . 1 . 1 179 179 TYR CA C 13 59.386 0.2 . 1 . . . . . 179 TYR CA . 53131 1 548 . 1 . 1 179 179 TYR CB C 13 42.201 0.2 . 1 . . . . . 179 TYR CB . 53131 1 549 . 1 . 1 179 179 TYR N N 15 122.80 0.2 . 1 . . . . . 179 TYR N . 53131 1 550 . 1 . 1 180 180 ASP H H 1 9.092 0.02 . 1 . . . . . 180 ASP H . 53131 1 551 . 1 . 1 180 180 ASP CA C 13 55.623 0.2 . 1 . . . . . 180 ASP CA . 53131 1 552 . 1 . 1 180 180 ASP CB C 13 38.001 0.2 . 1 . . . . . 180 ASP CB . 53131 1 553 . 1 . 1 180 180 ASP N N 15 123.16 0.2 . 1 . . . . . 180 ASP N . 53131 1 554 . 1 . 1 181 181 PRO CA C 13 61.793 0.2 . 1 . . . . . 181 PRO CA . 53131 1 555 . 1 . 1 181 181 PRO CB C 13 31.967 0.2 . 1 . . . . . 181 PRO CB . 53131 1 556 . 1 . 1 182 182 ASP H H 1 8.272 0.02 . 1 . . . . . 182 ASP H . 53131 1 557 . 1 . 1 182 182 ASP CA C 13 52.055 0.2 . 1 . . . . . 182 ASP CA . 53131 1 558 . 1 . 1 182 182 ASP CB C 13 42.840 0.2 . 1 . . . . . 182 ASP CB . 53131 1 559 . 1 . 1 182 182 ASP N N 15 120.94 0.2 . 1 . . . . . 182 ASP N . 53131 1 560 . 1 . 1 183 183 SER H H 1 8.387 0.02 . 1 . . . . . 183 SER H . 53131 1 561 . 1 . 1 183 183 SER CA C 13 58.175 0.2 . 1 . . . . . 183 SER CA . 53131 1 562 . 1 . 1 183 183 SER CB C 13 63.727 0.2 . 1 . . . . . 183 SER CB . 53131 1 563 . 1 . 1 183 183 SER N N 15 113.37 0.2 . 1 . . . . . 183 SER N . 53131 1 564 . 1 . 1 184 184 SER H H 1 7.819 0.02 . 1 . . . . . 184 SER H . 53131 1 565 . 1 . 1 184 184 SER CA C 13 58.001 0.2 . 1 . . . . . 184 SER CA . 53131 1 566 . 1 . 1 184 184 SER CB C 13 66.357 0.2 . 1 . . . . . 184 SER CB . 53131 1 567 . 1 . 1 184 184 SER N N 15 109.93 0.2 . 1 . . . . . 184 SER N . 53131 1 568 . 1 . 1 185 185 TRP H H 1 8.414 0.02 . 1 . . . . . 185 TRP H . 53131 1 569 . 1 . 1 185 185 TRP CA C 13 55.295 0.2 . 1 . . . . . 185 TRP CA . 53131 1 570 . 1 . 1 185 185 TRP CB C 13 31.144 0.2 . 1 . . . . . 185 TRP CB . 53131 1 571 . 1 . 1 185 185 TRP N N 15 119.34 0.2 . 1 . . . . . 185 TRP N . 53131 1 572 . 1 . 1 187 187 PRO CA C 13 61.990 0.2 . 1 . . . . . 187 PRO CA . 53131 1 573 . 1 . 1 188 188 TYR H H 1 9.344 0.02 . 1 . . . . . 188 TYR H . 53131 1 574 . 1 . 1 188 188 TYR CA C 13 57.942 0.2 . 1 . . . . . 188 TYR CA . 53131 1 575 . 1 . 1 188 188 TYR CB C 13 42.869 0.2 . 1 . . . . . 188 TYR CB . 53131 1 576 . 1 . 1 188 188 TYR N N 15 126.17 0.2 . 1 . . . . . 188 TYR N . 53131 1 577 . 1 . 1 189 189 LEU H H 1 8.775 0.02 . 1 . . . . . 189 LEU H . 53131 1 578 . 1 . 1 189 189 LEU CA C 13 53.046 0.2 . 1 . . . . . 189 LEU CA . 53131 1 579 . 1 . 1 189 189 LEU CB C 13 46.299 0.2 . 1 . . . . . 189 LEU CB . 53131 1 580 . 1 . 1 189 189 LEU N N 15 117.91 0.2 . 1 . . . . . 189 LEU N . 53131 1 581 . 1 . 1 190 190 GLU H H 1 8.892 0.02 . 1 . . . . . 190 GLU H . 53131 1 582 . 1 . 1 190 190 GLU CA C 13 54.212 0.2 . 1 . . . . . 190 GLU CA . 53131 1 583 . 1 . 1 190 190 GLU CB C 13 36.032 0.2 . 1 . . . . . 190 GLU CB . 53131 1 584 . 1 . 1 190 190 GLU N N 15 124.03 0.2 . 1 . . . . . 190 GLU N . 53131 1 585 . 1 . 1 191 191 LEU H H 1 8.787 0.02 . 1 . . . . . 191 LEU H . 53131 1 586 . 1 . 1 191 191 LEU CA C 13 54.783 0.2 . 1 . . . . . 191 LEU CA . 53131 1 587 . 1 . 1 191 191 LEU CB C 13 45.899 0.2 . 1 . . . . . 191 LEU CB . 53131 1 588 . 1 . 1 191 191 LEU N N 15 123.07 0.2 . 1 . . . . . 191 LEU N . 53131 1 589 . 1 . 1 192 192 SER H H 1 7.129 0.02 . 1 . . . . . 192 SER H . 53131 1 590 . 1 . 1 192 192 SER CA C 13 56.988 0.2 . 1 . . . . . 192 SER CA . 53131 1 591 . 1 . 1 192 192 SER CB C 13 64.810 0.2 . 1 . . . . . 192 SER CB . 53131 1 592 . 1 . 1 192 192 SER N N 15 119.29 0.2 . 1 . . . . . 192 SER N . 53131 1 593 . 1 . 1 193 193 ALA H H 1 9.596 0.02 . 1 . . . . . 193 ALA H . 53131 1 594 . 1 . 1 193 193 ALA CA C 13 50.648 0.2 . 1 . . . . . 193 ALA CA . 53131 1 595 . 1 . 1 193 193 ALA CB C 13 23.407 0.2 . 1 . . . . . 193 ALA CB . 53131 1 596 . 1 . 1 193 193 ALA N N 15 126.53 0.2 . 1 . . . . . 193 ALA N . 53131 1 597 . 1 . 1 194 194 ASN H H 1 8.998 0.02 . 1 . . . . . 194 ASN H . 53131 1 598 . 1 . 1 194 194 ASN CA C 13 53.593 0.2 . 1 . . . . . 194 ASN CA . 53131 1 599 . 1 . 1 194 194 ASN CB C 13 43.381 0.2 . 1 . . . . . 194 ASN CB . 53131 1 600 . 1 . 1 194 194 ASN N N 15 119.70 0.2 . 1 . . . . . 194 ASN N . 53131 1 601 . 1 . 1 195 195 TYR H H 1 9.457 0.02 . 1 . . . . . 195 TYR H . 53131 1 602 . 1 . 1 195 195 TYR CA C 13 56.111 0.2 . 1 . . . . . 195 TYR CA . 53131 1 603 . 1 . 1 195 195 TYR CB C 13 41.226 0.2 . 1 . . . . . 195 TYR CB . 53131 1 604 . 1 . 1 195 195 TYR N N 15 127.50 0.2 . 1 . . . . . 195 TYR N . 53131 1 605 . 1 . 1 196 196 ARG H H 1 7.849 0.02 . 1 . . . . . 196 ARG H . 53131 1 606 . 1 . 1 196 196 ARG CA C 13 55.622 0.2 . 1 . . . . . 196 ARG CA . 53131 1 607 . 1 . 1 196 196 ARG CB C 13 29.834 0.2 . 1 . . . . . 196 ARG CB . 53131 1 608 . 1 . 1 196 196 ARG N N 15 131.12 0.2 . 1 . . . . . 196 ARG N . 53131 1 609 . 1 . 1 197 197 PHE H H 1 7.849 0.02 . 1 . . . . . 197 PHE H . 53131 1 610 . 1 . 1 197 197 PHE CA C 13 56.526 0.2 . 1 . . . . . 197 PHE CA . 53131 1 611 . 1 . 1 197 197 PHE CB C 13 40.918 0.2 . 1 . . . . . 197 PHE CB . 53131 1 612 . 1 . 1 197 197 PHE N N 15 122.08 0.2 . 1 . . . . . 197 PHE N . 53131 1 613 . 1 . 1 198 198 LEU H H 1 7.156 0.02 . 1 . . . . . 198 LEU H . 53131 1 614 . 1 . 1 198 198 LEU CA C 13 55.256 0.2 . 1 . . . . . 198 LEU CA . 53131 1 615 . 1 . 1 198 198 LEU CB C 13 42.995 0.2 . 1 . . . . . 198 LEU CB . 53131 1 616 . 1 . 1 198 198 LEU N N 15 120.80 0.2 . 1 . . . . . 198 LEU N . 53131 1 617 . 1 . 1 199 199 GLY CA C 13 46.898 0.2 . 1 . . . . . 199 GLY CA . 53131 1 618 . 1 . 1 200 200 ASP H H 1 8.430 0.02 . 1 . . . . . 200 ASP H . 53131 1 619 . 1 . 1 200 200 ASP CA C 13 54.915 0.2 . 1 . . . . . 200 ASP CA . 53131 1 620 . 1 . 1 200 200 ASP CB C 13 42.563 0.2 . 1 . . . . . 200 ASP CB . 53131 1 621 . 1 . 1 200 200 ASP N N 15 119.56 0.2 . 1 . . . . . 200 ASP N . 53131 1 622 . 1 . 1 201 201 TRP H H 1 8.305 0.02 . 1 . . . . . 201 TRP H . 53131 1 623 . 1 . 1 201 201 TRP CA C 13 56.687 0.2 . 1 . . . . . 201 TRP CA . 53131 1 624 . 1 . 1 201 201 TRP CB C 13 30.253 0.2 . 1 . . . . . 201 TRP CB . 53131 1 625 . 1 . 1 201 201 TRP N N 15 124.05 0.2 . 1 . . . . . 201 TRP N . 53131 1 626 . 1 . 1 202 202 SER H H 1 9.187 0.02 . 1 . . . . . 202 SER H . 53131 1 627 . 1 . 1 202 202 SER CA C 13 57.264 0.2 . 1 . . . . . 202 SER CA . 53131 1 628 . 1 . 1 202 202 SER CB C 13 66.045 0.2 . 1 . . . . . 202 SER CB . 53131 1 629 . 1 . 1 202 202 SER N N 15 115.64 0.2 . 1 . . . . . 202 SER N . 53131 1 630 . 1 . 1 203 203 VAL H H 1 8.857 0.02 . 1 . . . . . 203 VAL H . 53131 1 631 . 1 . 1 203 203 VAL CA C 13 59.541 0.2 . 1 . . . . . 203 VAL CA . 53131 1 632 . 1 . 1 203 203 VAL CB C 13 34.562 0.2 . 1 . . . . . 203 VAL CB . 53131 1 633 . 1 . 1 203 203 VAL N N 15 119.91 0.2 . 1 . . . . . 203 VAL N . 53131 1 634 . 1 . 1 204 204 TYR H H 1 8.440 0.02 . 1 . . . . . 204 TYR H . 53131 1 635 . 1 . 1 204 204 TYR CA C 13 55.183 0.2 . 1 . . . . . 204 TYR CA . 53131 1 636 . 1 . 1 204 204 TYR CB C 13 42.608 0.2 . 1 . . . . . 204 TYR CB . 53131 1 637 . 1 . 1 204 204 TYR N N 15 123.21 0.2 . 1 . . . . . 204 TYR N . 53131 1 638 . 1 . 1 205 205 GLY H H 1 8.890 0.02 . 1 . . . . . 205 GLY H . 53131 1 639 . 1 . 1 205 205 GLY CA C 13 45.233 0.2 . 1 . . . . . 205 GLY CA . 53131 1 640 . 1 . 1 205 205 GLY N N 15 107.66 0.2 . 1 . . . . . 205 GLY N . 53131 1 641 . 1 . 1 206 206 VAL H H 1 9.402 0.02 . 1 . . . . . 206 VAL H . 53131 1 642 . 1 . 1 206 206 VAL CA C 13 59.981 0.2 . 1 . . . . . 206 VAL CA . 53131 1 643 . 1 . 1 206 206 VAL CB C 13 34.477 0.2 . 1 . . . . . 206 VAL CB . 53131 1 644 . 1 . 1 206 206 VAL N N 15 122.59 0.2 . 1 . . . . . 206 VAL N . 53131 1 645 . 1 . 1 207 207 ALA H H 1 8.701 0.02 . 1 . . . . . 207 ALA H . 53131 1 646 . 1 . 1 207 207 ALA CA C 13 50.507 0.2 . 1 . . . . . 207 ALA CA . 53131 1 647 . 1 . 1 207 207 ALA CB C 13 22.846 0.2 . 1 . . . . . 207 ALA CB . 53131 1 648 . 1 . 1 207 207 ALA N N 15 126.31 0.2 . 1 . . . . . 207 ALA N . 53131 1 649 . 1 . 1 208 208 ARG H H 1 8.788 0.02 . 1 . . . . . 208 ARG H . 53131 1 650 . 1 . 1 208 208 ARG CA C 13 55.402 0.2 . 1 . . . . . 208 ARG CA . 53131 1 651 . 1 . 1 208 208 ARG CB C 13 33.789 0.2 . 1 . . . . . 208 ARG CB . 53131 1 652 . 1 . 1 208 208 ARG N N 15 121.35 0.2 . 1 . . . . . 208 ARG N . 53131 1 653 . 1 . 1 209 209 TYR H H 1 9.241 0.02 . 1 . . . . . 209 TYR H . 53131 1 654 . 1 . 1 209 209 TYR CA C 13 57.961 0.2 . 1 . . . . . 209 TYR CA . 53131 1 655 . 1 . 1 209 209 TYR CB C 13 42.144 0.2 . 1 . . . . . 209 TYR CB . 53131 1 656 . 1 . 1 209 209 TYR N N 15 130.98 0.2 . 1 . . . . . 209 TYR N . 53131 1 657 . 1 . 1 210 210 THR H H 1 8.987 0.02 . 1 . . . . . 210 THR H . 53131 1 658 . 1 . 1 210 210 THR CA C 13 61.599 0.2 . 1 . . . . . 210 THR CA . 53131 1 659 . 1 . 1 210 210 THR CB C 13 69.542 0.2 . 1 . . . . . 210 THR CB . 53131 1 660 . 1 . 1 210 210 THR N N 15 122.03 0.2 . 1 . . . . . 210 THR N . 53131 1 661 . 1 . 1 211 211 ARG H H 1 8.844 0.02 . 1 . . . . . 211 ARG H . 53131 1 662 . 1 . 1 211 211 ARG CA C 13 54.502 0.2 . 1 . . . . . 211 ARG CA . 53131 1 663 . 1 . 1 211 211 ARG CB C 13 28.915 0.2 . 1 . . . . . 211 ARG CB . 53131 1 664 . 1 . 1 211 211 ARG N N 15 130.98 0.2 . 1 . . . . . 211 ARG N . 53131 1 665 . 1 . 1 212 212 LEU H H 1 7.548 0.02 . 1 . . . . . 212 LEU H . 53131 1 666 . 1 . 1 212 212 LEU CA C 13 54.753 0.2 . 1 . . . . . 212 LEU CA . 53131 1 667 . 1 . 1 212 212 LEU CB C 13 41.293 0.2 . 1 . . . . . 212 LEU CB . 53131 1 668 . 1 . 1 212 212 LEU N N 15 126.51 0.2 . 1 . . . . . 212 LEU N . 53131 1 669 . 1 . 1 213 213 SER H H 1 7.683 0.02 . 1 . . . . . 213 SER H . 53131 1 670 . 1 . 1 213 213 SER CA C 13 57.500 0.2 . 1 . . . . . 213 SER CA . 53131 1 671 . 1 . 1 213 213 SER CB C 13 64.423 0.2 . 1 . . . . . 213 SER CB . 53131 1 672 . 1 . 1 213 213 SER N N 15 116.05 0.2 . 1 . . . . . 213 SER N . 53131 1 673 . 1 . 1 214 214 ASP H H 1 8.703 0.02 . 1 . . . . . 214 ASP H . 53131 1 674 . 1 . 1 214 214 ASP CA C 13 56.399 0.2 . 1 . . . . . 214 ASP CA . 53131 1 675 . 1 . 1 214 214 ASP CB C 13 39.868 0.2 . 1 . . . . . 214 ASP CB . 53131 1 676 . 1 . 1 214 214 ASP N N 15 125.75 0.2 . 1 . . . . . 214 ASP N . 53131 1 677 . 1 . 1 215 215 GLU H H 1 8.294 0.02 . 1 . . . . . 215 GLU H . 53131 1 678 . 1 . 1 215 215 GLU CA C 13 59.008 0.2 . 1 . . . . . 215 GLU CA . 53131 1 679 . 1 . 1 215 215 GLU CB C 13 29.635 0.2 . 1 . . . . . 215 GLU CB . 53131 1 680 . 1 . 1 215 215 GLU N N 15 117.02 0.2 . 1 . . . . . 215 GLU N . 53131 1 681 . 1 . 1 216 216 ILE H H 1 7.251 0.02 . 1 . . . . . 216 ILE H . 53131 1 682 . 1 . 1 216 216 ILE CA C 13 63.805 0.2 . 1 . . . . . 216 ILE CA . 53131 1 683 . 1 . 1 216 216 ILE CB C 13 37.375 0.2 . 1 . . . . . 216 ILE CB . 53131 1 684 . 1 . 1 216 216 ILE N N 15 117.91 0.2 . 1 . . . . . 216 ILE N . 53131 1 685 . 1 . 1 217 217 THR H H 1 8.341 0.02 . 1 . . . . . 217 THR H . 53131 1 686 . 1 . 1 217 217 THR CA C 13 64.677 0.2 . 1 . . . . . 217 THR CA . 53131 1 687 . 1 . 1 217 217 THR CB C 13 67.827 0.2 . 1 . . . . . 217 THR CB . 53131 1 688 . 1 . 1 217 217 THR N N 15 110.48 0.2 . 1 . . . . . 217 THR N . 53131 1 689 . 1 . 1 218 218 ASP H H 1 7.963 0.02 . 1 . . . . . 218 ASP H . 53131 1 690 . 1 . 1 218 218 ASP CA C 13 54.912 0.2 . 1 . . . . . 218 ASP CA . 53131 1 691 . 1 . 1 218 218 ASP CB C 13 39.303 0.2 . 1 . . . . . 218 ASP CB . 53131 1 692 . 1 . 1 218 218 ASP N N 15 119.84 0.2 . 1 . . . . . 218 ASP N . 53131 1 693 . 1 . 1 219 219 SER H H 1 7.508 0.02 . 1 . . . . . 219 SER H . 53131 1 694 . 1 . 1 219 219 SER CA C 13 62.025 0.2 . 1 . . . . . 219 SER CA . 53131 1 695 . 1 . 1 219 219 SER N N 15 118.25 0.2 . 1 . . . . . 219 SER N . 53131 1 696 . 1 . 1 220 220 PRO CA C 13 63.913 0.2 . 1 . . . . . 220 PRO CA . 53131 1 697 . 1 . 1 220 220 PRO CB C 13 31.545 0.2 . 1 . . . . . 220 PRO CB . 53131 1 698 . 1 . 1 221 221 MET H H 1 7.693 0.02 . 1 . . . . . 221 MET H . 53131 1 699 . 1 . 1 221 221 MET CA C 13 56.997 0.2 . 1 . . . . . 221 MET CA . 53131 1 700 . 1 . 1 221 221 MET CB C 13 36.496 0.2 . 1 . . . . . 221 MET CB . 53131 1 701 . 1 . 1 221 221 MET N N 15 113.23 0.2 . 1 . . . . . 221 MET N . 53131 1 702 . 1 . 1 222 222 VAL H H 1 7.284 0.02 . 1 . . . . . 222 VAL H . 53131 1 703 . 1 . 1 222 222 VAL CA C 13 62.121 0.2 . 1 . . . . . 222 VAL CA . 53131 1 704 . 1 . 1 222 222 VAL CB C 13 34.582 0.2 . 1 . . . . . 222 VAL CB . 53131 1 705 . 1 . 1 222 222 VAL N N 15 119.46 0.2 . 1 . . . . . 222 VAL N . 53131 1 706 . 1 . 1 223 223 ASP H H 1 7.802 0.02 . 1 . . . . . 223 ASP H . 53131 1 707 . 1 . 1 223 223 ASP CA C 13 52.797 0.2 . 1 . . . . . 223 ASP CA . 53131 1 708 . 1 . 1 223 223 ASP CB C 13 42.526 0.2 . 1 . . . . . 223 ASP CB . 53131 1 709 . 1 . 1 223 223 ASP N N 15 124.31 0.2 . 1 . . . . . 223 ASP N . 53131 1 710 . 1 . 1 224 224 LYS H H 1 7.162 0.02 . 1 . . . . . 224 LYS H . 53131 1 711 . 1 . 1 224 224 LYS CA C 13 54.444 0.2 . 1 . . . . . 224 LYS CA . 53131 1 712 . 1 . 1 224 224 LYS CB C 13 35.034 0.2 . 1 . . . . . 224 LYS CB . 53131 1 713 . 1 . 1 224 224 LYS N N 15 119.97 0.2 . 1 . . . . . 224 LYS N . 53131 1 714 . 1 . 1 225 225 SER CA C 13 58.218 0.2 . 1 . . . . . 225 SER CA . 53131 1 715 . 1 . 1 225 225 SER CB C 13 63.969 0.2 . 1 . . . . . 225 SER CB . 53131 1 716 . 1 . 1 226 226 TRP H H 1 7.289 0.02 . 1 . . . . . 226 TRP H . 53131 1 717 . 1 . 1 226 226 TRP CA C 13 55.155 0.2 . 1 . . . . . 226 TRP CA . 53131 1 718 . 1 . 1 226 226 TRP CB C 13 32.800 0.2 . 1 . . . . . 226 TRP CB . 53131 1 719 . 1 . 1 226 226 TRP N N 15 119.16 0.2 . 1 . . . . . 226 TRP N . 53131 1 720 . 1 . 1 227 227 SER H H 1 8.814 0.02 . 1 . . . . . 227 SER H . 53131 1 721 . 1 . 1 227 227 SER CA C 13 56.455 0.2 . 1 . . . . . 227 SER CA . 53131 1 722 . 1 . 1 227 227 SER CB C 13 65.628 0.2 . 1 . . . . . 227 SER CB . 53131 1 723 . 1 . 1 227 227 SER N N 15 115.23 0.2 . 1 . . . . . 227 SER N . 53131 1 724 . 1 . 1 228 228 GLY H H 1 8.252 0.02 . 1 . . . . . 228 GLY H . 53131 1 725 . 1 . 1 228 228 GLY CA C 13 45.041 0.2 . 1 . . . . . 228 GLY CA . 53131 1 726 . 1 . 1 228 228 GLY N N 15 109.24 0.2 . 1 . . . . . 228 GLY N . 53131 1 727 . 1 . 1 229 229 LEU H H 1 8.043 0.02 . 1 . . . . . 229 LEU H . 53131 1 728 . 1 . 1 229 229 LEU CA C 13 53.894 0.2 . 1 . . . . . 229 LEU CA . 53131 1 729 . 1 . 1 229 229 LEU CB C 13 46.095 0.2 . 1 . . . . . 229 LEU CB . 53131 1 730 . 1 . 1 229 229 LEU N N 15 124.03 0.2 . 1 . . . . . 229 LEU N . 53131 1 731 . 1 . 1 230 230 ILE H H 1 8.620 0.02 . 1 . . . . . 230 ILE H . 53131 1 732 . 1 . 1 230 230 ILE CA C 13 59.462 0.2 . 1 . . . . . 230 ILE CA . 53131 1 733 . 1 . 1 230 230 ILE CB C 13 43.365 0.2 . 1 . . . . . 230 ILE CB . 53131 1 734 . 1 . 1 230 230 ILE N N 15 120.59 0.2 . 1 . . . . . 230 ILE N . 53131 1 735 . 1 . 1 231 231 SER H H 1 9.256 0.02 . 1 . . . . . 231 SER H . 53131 1 736 . 1 . 1 231 231 SER CA C 13 56.374 0.2 . 1 . . . . . 231 SER CA . 53131 1 737 . 1 . 1 231 231 SER CB C 13 65.245 0.2 . 1 . . . . . 231 SER CB . 53131 1 738 . 1 . 1 231 231 SER N N 15 117.70 0.2 . 1 . . . . . 231 SER N . 53131 1 739 . 1 . 1 232 232 THR H H 1 7.824 0.02 . 1 . . . . . 232 THR H . 53131 1 740 . 1 . 1 232 232 THR CA C 13 59.930 0.2 . 1 . . . . . 232 THR CA . 53131 1 741 . 1 . 1 232 232 THR CB C 13 69.226 0.2 . 1 . . . . . 232 THR CB . 53131 1 742 . 1 . 1 232 232 THR N N 15 121.44 0.2 . 1 . . . . . 232 THR N . 53131 1 743 . 1 . 1 233 233 GLY H H 1 6.691 0.02 . 1 . . . . . 233 GLY H . 53131 1 744 . 1 . 1 233 233 GLY CA C 13 46.694 0.2 . 1 . . . . . 233 GLY CA . 53131 1 745 . 1 . 1 233 233 GLY N N 15 111.51 0.2 . 1 . . . . . 233 GLY N . 53131 1 746 . 1 . 1 234 234 ILE H H 1 8.674 0.02 . 1 . . . . . 234 ILE H . 53131 1 747 . 1 . 1 234 234 ILE CA C 13 58.482 0.2 . 1 . . . . . 234 ILE CA . 53131 1 748 . 1 . 1 234 234 ILE CB C 13 42.298 0.2 . 1 . . . . . 234 ILE CB . 53131 1 749 . 1 . 1 234 234 ILE N N 15 119.01 0.2 . 1 . . . . . 234 ILE N . 53131 1 750 . 1 . 1 235 235 THR H H 1 9.356 0.02 . 1 . . . . . 235 THR H . 53131 1 751 . 1 . 1 235 235 THR CA C 13 59.163 0.2 . 1 . . . . . 235 THR CA . 53131 1 752 . 1 . 1 235 235 THR CB C 13 72.382 0.2 . 1 . . . . . 235 THR CB . 53131 1 753 . 1 . 1 235 235 THR N N 15 112.96 0.2 . 1 . . . . . 235 THR N . 53131 1 754 . 1 . 1 236 236 TYR H H 1 9.160 0.02 . 1 . . . . . 236 TYR H . 53131 1 755 . 1 . 1 236 236 TYR CA C 13 57.143 0.2 . 1 . . . . . 236 TYR CA . 53131 1 756 . 1 . 1 236 236 TYR CB C 13 41.911 0.2 . 1 . . . . . 236 TYR CB . 53131 1 757 . 1 . 1 236 236 TYR N N 15 121.97 0.2 . 1 . . . . . 236 TYR N . 53131 1 758 . 1 . 1 237 237 THR H H 1 6.568 0.02 . 1 . . . . . 237 THR H . 53131 1 759 . 1 . 1 237 237 THR CA C 13 61.557 0.2 . 1 . . . . . 237 THR CA . 53131 1 760 . 1 . 1 237 237 THR CB C 13 69.993 0.2 . 1 . . . . . 237 THR CB . 53131 1 761 . 1 . 1 237 237 THR N N 15 123.35 0.2 . 1 . . . . . 237 THR N . 53131 1 stop_ save_