data_25821 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25821 _Entry.Title ; 1H, 13C and 15N backbone resonance assignments for the class A beta-lactamase BlaP from Bacillus licheniformis 749/C ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-09-18 _Entry.Accession_date 2015-09-18 _Entry.Last_release_date 2015-09-18 _Entry.Original_release_date 2015-09-18 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 David Thorn . . . . 25821 2 Jennifer Kay . . . . 25821 3 Mireille Dumoulin . . . . 25821 4 Christian Damblon . . . . 25821 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Enzymology and Protein Folding, Centre for Protein Engineering, ULg' . 25821 2 . 'Chimie biologique structurale, ULg' . 25821 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25821 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 251 25821 '15N chemical shifts' 251 25821 '1H chemical shifts' 251 25821 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 . . 2019-07-10 . original BMRB . 25821 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID EMBL BLAC_BACLI . 25821 PDB 1L2S . 25821 PDB 2BLM . 25821 PDB 3LY3 . 25821 PDB 3LY4 . 25821 PDB 3M2J . 25821 PDB 3M2K . 25821 PDB 4BLM . 25821 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25821 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1007/s12104-017-9782-3 _Citation.PubMed_ID 29030803 _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N backbone resonance assignments of the beta-lactamase BlaP from Bacillus licheniformis 749/C and two mutational variants ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol NMR Assign' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 12 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 69 _Citation.Page_last 77 _Citation.Year 2018 _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 David Thorn D. . . . 25821 1 2 Jennifer Kay J. . . . 25821 1 3 Noureddine Rhazi N. . . . 25821 1 4 Mireille Dumoulin M. . . . 25821 1 5 Alessandra Corazza A. . . . 25821 1 6 Christian Damblon C. . . . 25821 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'BlaP hybrid proteins' 25821 1 'Polyglutamine diseases' 25821 1 'Polyglutamine model proteins' 25821 1 'Protein aggregation' 25821 1 'Resonance assignment' 25821 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25821 _Assembly.ID 1 _Assembly.Name BlaPdPG _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 30214.1 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 BlaPdPG 1 $BlaPdPG A . yes native no no . . . 25821 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BlaPdPG _Entity.Sf_category entity _Entity.Sf_framecode BlaPdPG _Entity.Entry_ID 25821 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BlaPdPG _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 ; TEMKDDFAKLEEQFDAKLGI FALDTGTNRTVAYRPDERFA FASTIKALTVGVLLQQKSIE DLNQRITYTRDDLVNYNPIT EKHVDTGMTLKELADASLRY SDNAAQNLILKQIGGPESLK KELRKIGDEVTNPERFEPEL NEVNPGETQDTSTARALVTS LRAFALEDKLPSEKRELLID WMKRNTTGDALIRAGVPDGW EVADKTGAASYGTRNDIAII WPPKGDPVVLAVLSSRDKKD AKYDDKLIAEATKVVMKALN MNGKGPHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; The sequence above is the FASTA sequence whose residue's numbers are whaccording to the numbering scheme of class A beta-lactamases (Ambler, R.P., et al., A standard numbering scheme for the class A beta-lactamases. Biochem J, 1991. 276, 269-70). ; _Entity.Polymer_author_seq_details 'Residues 265-271 (FASTA sequence) represent a non-native tag -GP(His)5 tag.' _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 271 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 30214.1 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; This work is part of a project aiming at investigating the effects of the insertion of a polyglutamine sequence of different lengths at two positions of BlaP (i.e. positions 197-198 and 216-217) on the structure, the stability, the dynamics and the aggregation of BlaP. The study of these polyQ model proteins should allow a better understanding of how expanded polyQ sequences induce the aggregation of proteins into amyloid fibrils, a phenomenon that is associated with 9 neurodegenerative diseases including Huntington's disease (Scarafone, N., et al., Amyloid-like fibril formation by polyQ proteins: a critical balance between the polyQ length and the constraints imposed by the host protein. PLoS ONE, 2012. 7(3): p. e31253). ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ; Beta-lactamase catalyses the hydrolysis of beta-lactam rings, thereby providing bacterial hosts with resistance against beta-lactam antibiotics. ; 25821 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 . THR . 25821 1 2 . GLU . 25821 1 3 . MET . 25821 1 4 . LYS . 25821 1 5 . ASP . 25821 1 6 . ASP . 25821 1 7 . PHE . 25821 1 8 . ALA . 25821 1 9 . LYS . 25821 1 10 . LEU . 25821 1 11 . GLU . 25821 1 12 . GLU . 25821 1 13 . GLN . 25821 1 14 . PHE . 25821 1 15 . ASP . 25821 1 16 . ALA . 25821 1 17 . LYS . 25821 1 18 . LEU . 25821 1 19 . GLY . 25821 1 20 . ILE . 25821 1 21 . PHE . 25821 1 22 . ALA . 25821 1 23 . LEU . 25821 1 24 . ASP . 25821 1 25 . THR . 25821 1 26 . GLY . 25821 1 27 . THR . 25821 1 28 . ASN . 25821 1 29 . ARG . 25821 1 30 . THR . 25821 1 31 . VAL . 25821 1 32 . ALA . 25821 1 33 . TYR . 25821 1 34 . ARG . 25821 1 35 . PRO . 25821 1 36 . ASP . 25821 1 37 . GLU . 25821 1 38 . ARG . 25821 1 39 . PHE . 25821 1 40 . ALA . 25821 1 41 . PHE . 25821 1 42 . ALA . 25821 1 43 . SER . 25821 1 44 . THR . 25821 1 45 . ILE . 25821 1 46 . LYS . 25821 1 47 . ALA . 25821 1 48 . LEU . 25821 1 49 . THR . 25821 1 50 . VAL . 25821 1 51 . GLY . 25821 1 52 . VAL . 25821 1 53 . LEU . 25821 1 54 . LEU . 25821 1 55 . GLN . 25821 1 56 . GLN . 25821 1 57 . LYS . 25821 1 58 . SER . 25821 1 59 . ILE . 25821 1 60 . GLU . 25821 1 61 . ASP . 25821 1 62 . LEU . 25821 1 63 . ASN . 25821 1 64 . GLN . 25821 1 65 . ARG . 25821 1 66 . ILE . 25821 1 67 . THR . 25821 1 68 . TYR . 25821 1 69 . THR . 25821 1 70 . ARG . 25821 1 71 . ASP . 25821 1 72 . ASP . 25821 1 73 . LEU . 25821 1 74 . VAL . 25821 1 75 . ASN . 25821 1 76 . TYR . 25821 1 77 . ASN . 25821 1 78 . PRO . 25821 1 79 . ILE . 25821 1 80 . THR . 25821 1 81 . GLU . 25821 1 82 . LYS . 25821 1 83 . HIS . 25821 1 84 . VAL . 25821 1 85 . ASP . 25821 1 86 . THR . 25821 1 87 . GLY . 25821 1 88 . MET . 25821 1 89 . THR . 25821 1 90 . LEU . 25821 1 91 . LYS . 25821 1 92 . GLU . 25821 1 93 . LEU . 25821 1 94 . ALA . 25821 1 95 . ASP . 25821 1 96 . ALA . 25821 1 97 . SER . 25821 1 98 . LEU . 25821 1 99 . ARG . 25821 1 100 . TYR . 25821 1 101 . SER . 25821 1 102 . ASP . 25821 1 103 . ASN . 25821 1 104 . ALA . 25821 1 105 . ALA . 25821 1 106 . GLN . 25821 1 107 . ASN . 25821 1 108 . LEU . 25821 1 109 . ILE . 25821 1 110 . LEU . 25821 1 111 . LYS . 25821 1 112 . GLN . 25821 1 113 . ILE . 25821 1 114 . GLY . 25821 1 115 . GLY . 25821 1 116 . PRO . 25821 1 117 . GLU . 25821 1 118 . SER . 25821 1 119 . LEU . 25821 1 120 . LYS . 25821 1 121 . LYS . 25821 1 122 . GLU . 25821 1 123 . LEU . 25821 1 124 . ARG . 25821 1 125 . LYS . 25821 1 126 . ILE . 25821 1 127 . GLY . 25821 1 128 . ASP . 25821 1 129 . GLU . 25821 1 130 . VAL . 25821 1 131 . THR . 25821 1 132 . ASN . 25821 1 133 . PRO . 25821 1 134 . GLU . 25821 1 135 . ARG . 25821 1 136 . PHE . 25821 1 137 . GLU . 25821 1 138 . PRO . 25821 1 139 . GLU . 25821 1 140 . LEU . 25821 1 141 . ASN . 25821 1 142 . GLU . 25821 1 143 . VAL . 25821 1 144 . ASN . 25821 1 145 . PRO . 25821 1 146 . GLY . 25821 1 147 . GLU . 25821 1 148 . THR . 25821 1 149 . GLN . 25821 1 150 . ASP . 25821 1 151 . THR . 25821 1 152 . SER . 25821 1 153 . THR . 25821 1 154 . ALA . 25821 1 155 . ARG . 25821 1 156 . ALA . 25821 1 157 . LEU . 25821 1 158 . VAL . 25821 1 159 . THR . 25821 1 160 . SER . 25821 1 161 . LEU . 25821 1 162 . ARG . 25821 1 163 . ALA . 25821 1 164 . PHE . 25821 1 165 . ALA . 25821 1 166 . LEU . 25821 1 167 . GLU . 25821 1 168 . ASP . 25821 1 169 . LYS . 25821 1 170 . LEU . 25821 1 171 . PRO . 25821 1 172 . SER . 25821 1 173 . GLU . 25821 1 174 . LYS . 25821 1 175 . ARG . 25821 1 176 . GLU . 25821 1 177 . LEU . 25821 1 178 . LEU . 25821 1 179 . ILE . 25821 1 180 . ASP . 25821 1 181 . TRP . 25821 1 182 . MET . 25821 1 183 . LYS . 25821 1 184 . ARG . 25821 1 185 . ASN . 25821 1 186 . THR . 25821 1 187 . THR . 25821 1 188 . GLY . 25821 1 189 . ASP . 25821 1 190 . ALA . 25821 1 191 . LEU . 25821 1 192 . ILE . 25821 1 193 . ARG . 25821 1 194 . ALA . 25821 1 195 . GLY . 25821 1 196 . VAL . 25821 1 197 . PRO . 25821 1 198 . ASP . 25821 1 199 . GLY . 25821 1 200 . TRP . 25821 1 201 . GLU . 25821 1 202 . VAL . 25821 1 203 . ALA . 25821 1 204 . ASP . 25821 1 205 . LYS . 25821 1 206 . THR . 25821 1 207 . GLY . 25821 1 208 . ALA . 25821 1 209 . ALA . 25821 1 210 . SER . 25821 1 211 . TYR . 25821 1 212 . GLY . 25821 1 213 . THR . 25821 1 214 . ARG . 25821 1 215 . ASN . 25821 1 216 . ASP . 25821 1 217 . ILE . 25821 1 218 . ALA . 25821 1 219 . ILE . 25821 1 220 . ILE . 25821 1 221 . TRP . 25821 1 222 . PRO . 25821 1 223 . PRO . 25821 1 224 . LYS . 25821 1 225 . GLY . 25821 1 226 . ASP . 25821 1 227 . PRO . 25821 1 228 . VAL . 25821 1 229 . VAL . 25821 1 230 . LEU . 25821 1 231 . ALA . 25821 1 232 . VAL . 25821 1 233 . LEU . 25821 1 234 . SER . 25821 1 235 . SER . 25821 1 236 . ARG . 25821 1 237 . ASP . 25821 1 238 . LYS . 25821 1 239 . LYS . 25821 1 240 . ASP . 25821 1 241 . ALA . 25821 1 242 . LYS . 25821 1 243 . TYR . 25821 1 244 . ASP . 25821 1 245 . ASP . 25821 1 246 . LYS . 25821 1 247 . LEU . 25821 1 248 . ILE . 25821 1 249 . ALA . 25821 1 250 . GLU . 25821 1 251 . ALA . 25821 1 252 . THR . 25821 1 253 . LYS . 25821 1 254 . VAL . 25821 1 255 . VAL . 25821 1 256 . MET . 25821 1 257 . LYS . 25821 1 258 . ALA . 25821 1 259 . LEU . 25821 1 260 . ASN . 25821 1 261 . MET . 25821 1 262 . ASN . 25821 1 263 . GLY . 25821 1 264 . LYS . 25821 1 265 . GLY . 25821 1 266 . PRO . 25821 1 267 . HIS . 25821 1 268 . HIS . 25821 1 269 . HIS . 25821 1 270 . HIS . 25821 1 271 . HIS . 25821 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 . THR 1 1 25821 1 . GLU 2 2 25821 1 . MET 3 3 25821 1 . LYS 4 4 25821 1 . ASP 5 5 25821 1 . ASP 6 6 25821 1 . PHE 7 7 25821 1 . ALA 8 8 25821 1 . LYS 9 9 25821 1 . LEU 10 10 25821 1 . GLU 11 11 25821 1 . GLU 12 12 25821 1 . GLN 13 13 25821 1 . PHE 14 14 25821 1 . ASP 15 15 25821 1 . ALA 16 16 25821 1 . LYS 17 17 25821 1 . LEU 18 18 25821 1 . GLY 19 19 25821 1 . ILE 20 20 25821 1 . PHE 21 21 25821 1 . ALA 22 22 25821 1 . LEU 23 23 25821 1 . ASP 24 24 25821 1 . THR 25 25 25821 1 . GLY 26 26 25821 1 . THR 27 27 25821 1 . ASN 28 28 25821 1 . ARG 29 29 25821 1 . THR 30 30 25821 1 . VAL 31 31 25821 1 . ALA 32 32 25821 1 . TYR 33 33 25821 1 . ARG 34 34 25821 1 . PRO 35 35 25821 1 . ASP 36 36 25821 1 . GLU 37 37 25821 1 . ARG 38 38 25821 1 . PHE 39 39 25821 1 . ALA 40 40 25821 1 . PHE 41 41 25821 1 . ALA 42 42 25821 1 . SER 43 43 25821 1 . THR 44 44 25821 1 . ILE 45 45 25821 1 . LYS 46 46 25821 1 . ALA 47 47 25821 1 . LEU 48 48 25821 1 . THR 49 49 25821 1 . VAL 50 50 25821 1 . GLY 51 51 25821 1 . VAL 52 52 25821 1 . LEU 53 53 25821 1 . LEU 54 54 25821 1 . GLN 55 55 25821 1 . GLN 56 56 25821 1 . LYS 57 57 25821 1 . SER 58 58 25821 1 . ILE 59 59 25821 1 . GLU 60 60 25821 1 . ASP 61 61 25821 1 . LEU 62 62 25821 1 . ASN 63 63 25821 1 . GLN 64 64 25821 1 . ARG 65 65 25821 1 . ILE 66 66 25821 1 . THR 67 67 25821 1 . TYR 68 68 25821 1 . THR 69 69 25821 1 . ARG 70 70 25821 1 . ASP 71 71 25821 1 . ASP 72 72 25821 1 . LEU 73 73 25821 1 . VAL 74 74 25821 1 . ASN 75 75 25821 1 . TYR 76 76 25821 1 . ASN 77 77 25821 1 . PRO 78 78 25821 1 . ILE 79 79 25821 1 . THR 80 80 25821 1 . GLU 81 81 25821 1 . LYS 82 82 25821 1 . HIS 83 83 25821 1 . VAL 84 84 25821 1 . ASP 85 85 25821 1 . THR 86 86 25821 1 . GLY 87 87 25821 1 . MET 88 88 25821 1 . THR 89 89 25821 1 . LEU 90 90 25821 1 . LYS 91 91 25821 1 . GLU 92 92 25821 1 . LEU 93 93 25821 1 . ALA 94 94 25821 1 . ASP 95 95 25821 1 . ALA 96 96 25821 1 . SER 97 97 25821 1 . LEU 98 98 25821 1 . ARG 99 99 25821 1 . TYR 100 100 25821 1 . SER 101 101 25821 1 . ASP 102 102 25821 1 . ASN 103 103 25821 1 . ALA 104 104 25821 1 . ALA 105 105 25821 1 . GLN 106 106 25821 1 . ASN 107 107 25821 1 . LEU 108 108 25821 1 . ILE 109 109 25821 1 . LEU 110 110 25821 1 . LYS 111 111 25821 1 . GLN 112 112 25821 1 . ILE 113 113 25821 1 . GLY 114 114 25821 1 . GLY 115 115 25821 1 . PRO 116 116 25821 1 . GLU 117 117 25821 1 . SER 118 118 25821 1 . LEU 119 119 25821 1 . LYS 120 120 25821 1 . LYS 121 121 25821 1 . GLU 122 122 25821 1 . LEU 123 123 25821 1 . ARG 124 124 25821 1 . LYS 125 125 25821 1 . ILE 126 126 25821 1 . GLY 127 127 25821 1 . ASP 128 128 25821 1 . GLU 129 129 25821 1 . VAL 130 130 25821 1 . THR 131 131 25821 1 . ASN 132 132 25821 1 . PRO 133 133 25821 1 . GLU 134 134 25821 1 . ARG 135 135 25821 1 . PHE 136 136 25821 1 . GLU 137 137 25821 1 . PRO 138 138 25821 1 . GLU 139 139 25821 1 . LEU 140 140 25821 1 . ASN 141 141 25821 1 . GLU 142 142 25821 1 . VAL 143 143 25821 1 . ASN 144 144 25821 1 . PRO 145 145 25821 1 . GLY 146 146 25821 1 . GLU 147 147 25821 1 . THR 148 148 25821 1 . GLN 149 149 25821 1 . ASP 150 150 25821 1 . THR 151 151 25821 1 . SER 152 152 25821 1 . THR 153 153 25821 1 . ALA 154 154 25821 1 . ARG 155 155 25821 1 . ALA 156 156 25821 1 . LEU 157 157 25821 1 . VAL 158 158 25821 1 . THR 159 159 25821 1 . SER 160 160 25821 1 . LEU 161 161 25821 1 . ARG 162 162 25821 1 . ALA 163 163 25821 1 . PHE 164 164 25821 1 . ALA 165 165 25821 1 . LEU 166 166 25821 1 . GLU 167 167 25821 1 . ASP 168 168 25821 1 . LYS 169 169 25821 1 . LEU 170 170 25821 1 . PRO 171 171 25821 1 . SER 172 172 25821 1 . GLU 173 173 25821 1 . LYS 174 174 25821 1 . ARG 175 175 25821 1 . GLU 176 176 25821 1 . LEU 177 177 25821 1 . LEU 178 178 25821 1 . ILE 179 179 25821 1 . ASP 180 180 25821 1 . TRP 181 181 25821 1 . MET 182 182 25821 1 . LYS 183 183 25821 1 . ARG 184 184 25821 1 . ASN 185 185 25821 1 . THR 186 186 25821 1 . THR 187 187 25821 1 . GLY 188 188 25821 1 . ASP 189 189 25821 1 . ALA 190 190 25821 1 . LEU 191 191 25821 1 . ILE 192 192 25821 1 . ARG 193 193 25821 1 . ALA 194 194 25821 1 . GLY 195 195 25821 1 . VAL 196 196 25821 1 . PRO 197 197 25821 1 . ASP 198 198 25821 1 . GLY 199 199 25821 1 . TRP 200 200 25821 1 . GLU 201 201 25821 1 . VAL 202 202 25821 1 . ALA 203 203 25821 1 . ASP 204 204 25821 1 . LYS 205 205 25821 1 . THR 206 206 25821 1 . GLY 207 207 25821 1 . ALA 208 208 25821 1 . ALA 209 209 25821 1 . SER 210 210 25821 1 . TYR 211 211 25821 1 . GLY 212 212 25821 1 . THR 213 213 25821 1 . ARG 214 214 25821 1 . ASN 215 215 25821 1 . ASP 216 216 25821 1 . ILE 217 217 25821 1 . ALA 218 218 25821 1 . ILE 219 219 25821 1 . ILE 220 220 25821 1 . TRP 221 221 25821 1 . PRO 222 222 25821 1 . PRO 223 223 25821 1 . LYS 224 224 25821 1 . GLY 225 225 25821 1 . ASP 226 226 25821 1 . PRO 227 227 25821 1 . VAL 228 228 25821 1 . VAL 229 229 25821 1 . LEU 230 230 25821 1 . ALA 231 231 25821 1 . VAL 232 232 25821 1 . LEU 233 233 25821 1 . SER 234 234 25821 1 . SER 235 235 25821 1 . ARG 236 236 25821 1 . ASP 237 237 25821 1 . LYS 238 238 25821 1 . LYS 239 239 25821 1 . ASP 240 240 25821 1 . ALA 241 241 25821 1 . LYS 242 242 25821 1 . TYR 243 243 25821 1 . ASP 244 244 25821 1 . ASP 245 245 25821 1 . LYS 246 246 25821 1 . LEU 247 247 25821 1 . ILE 248 248 25821 1 . ALA 249 249 25821 1 . GLU 250 250 25821 1 . ALA 251 251 25821 1 . THR 252 252 25821 1 . LYS 253 253 25821 1 . VAL 254 254 25821 1 . VAL 255 255 25821 1 . MET 256 256 25821 1 . LYS 257 257 25821 1 . ALA 258 258 25821 1 . LEU 259 259 25821 1 . ASN 260 260 25821 1 . MET 261 261 25821 1 . ASN 262 262 25821 1 . GLY 263 263 25821 1 . LYS 264 264 25821 1 . GLY 265 265 25821 1 . PRO 266 266 25821 1 . HIS 267 267 25821 1 . HIS 268 268 25821 1 . HIS 269 269 25821 1 . HIS 270 270 25821 1 . HIS 271 271 25821 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25821 _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 $BlaPdPG . 1402 organism . 'Bacillus licheniformis' 'Bacillus licheniformis' . . Bacteria . Bacillus licheniformis 749/C . . . . . . . . . . . . 25821 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 25821 _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 $BlaPdPG . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pET-28b . . . 25821 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25821 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 BlaPdPG '[U-100% 13C; U-100% 15N]' . . 1 $BlaPdPG . . 0.48 . . mM . . . . 25821 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25821 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25821 1 stop_ save_ ####################### # Sample conditions # ####################### save_Standard _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Standard _Sample_condition_list.Entry_ID 25821 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20 mM sodium phosphate, 50 mM sodium chloride, pH 6.5' 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' 0.063 . M 25821 1 pH 6.5 . pH 25821 1 pressure 1 . atm 25821 1 temperature 308 . K 25821 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPN _Software.Sf_category software _Software.Sf_framecode CCPN _Software.Entry_ID 25821 _Software.ID 1 _Software.Type . _Software.Name CCPN _Software.Version v.2.4.1 _Software.DOI . _Software.Details ; The CCPN data model for NMR spectroscopy: development of a software pipeline. Vranken WF, Boucher W, Stevens TJ, Fogh RH, Pajon A, Llinas M, Ulrich EL, Markley JL, Ionides J, Laue ED. Proteins. 2005 Jun 1;59(4):687-96. ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25821 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25821 1 'data analysis' 25821 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25821 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25821 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25821 2 processing 25821 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25821 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'This spectrometer belongs to the CREMAN ("centre de resonance magnetique nucleaire") the NMR center of the university of Liege' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25821 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 'This spectrometer belongs to the CREMAN ("centre de resonance magnetique nucleaire") the NMR center of the university of Liege' . . 25821 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 25821 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $Standard . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25821 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $Standard . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25821 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $Standard . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25821 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25821 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25821 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25821 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25821 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25821 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Standard _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25821 1 2 '3D HNCA' . . . 25821 1 3 '3D HN(CO)CA' . . . 25821 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 2 $TOPSPIN . . 25821 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 MET H H 1 8.720 0.0016 . 1 . . . . . 3 M HN . 25821 1 2 . 1 1 3 3 MET CA C 13 54.056 0.029 . 1 . . . . . 3 M CA . 25821 1 3 . 1 1 3 3 MET N N 15 121.734 0.024 . 1 . . . . . 3 M N . 25821 1 4 . 1 1 4 4 LYS H H 1 8.246 0.0016 . 1 . . . . . 4 K HN . 25821 1 5 . 1 1 4 4 LYS CA C 13 56.611 0.029 . 1 . . . . . 4 K CA . 25821 1 6 . 1 1 4 4 LYS N N 15 119.541 0.024 . 1 . . . . . 4 K N . 25821 1 7 . 1 1 5 5 ASP H H 1 8.080 0.0016 . 1 . . . . . 5 D HN . 25821 1 8 . 1 1 5 5 ASP CA C 13 53.786 0.029 . 1 . . . . . 5 D CA . 25821 1 9 . 1 1 5 5 ASP N N 15 118.803 0.024 . 1 . . . . . 5 D N . 25821 1 10 . 1 1 6 6 ASP H H 1 7.836 0.0016 . 1 . . . . . 6 D HN . 25821 1 11 . 1 1 6 6 ASP CA C 13 54.620 0.029 . 1 . . . . . 6 D CA . 25821 1 12 . 1 1 6 6 ASP N N 15 120.323 0.024 . 1 . . . . . 6 D N . 25821 1 13 . 1 1 7 7 PHE H H 1 7.664 0.0016 . 1 . . . . . 7 F HN . 25821 1 14 . 1 1 7 7 PHE CA C 13 58.303 0.029 . 1 . . . . . 7 F CA . 25821 1 15 . 1 1 7 7 PHE N N 15 118.266 0.024 . 1 . . . . . 7 F N . 25821 1 16 . 1 1 8 8 ALA H H 1 8.181 0.0016 . 1 . . . . . 8 A HN . 25821 1 17 . 1 1 8 8 ALA CA C 13 52.807 0.029 . 1 . . . . . 8 A CA . 25821 1 18 . 1 1 8 8 ALA N N 15 122.719 0.024 . 1 . . . . . 8 A N . 25821 1 19 . 1 1 9 9 LYS H H 1 7.961 0.0016 . 1 . . . . . 9 K HN . 25821 1 20 . 1 1 9 9 LYS CA C 13 56.356 0.029 . 1 . . . . . 9 K CA . 25821 1 21 . 1 1 9 9 LYS N N 15 118.106 0.024 . 1 . . . . . 9 K N . 25821 1 22 . 1 1 10 10 LEU H H 1 7.407 0.0016 . 1 . . . . . 10 L HN . 25821 1 23 . 1 1 10 10 LEU CA C 13 55.459 0.029 . 1 . . . . . 10 L CA . 25821 1 24 . 1 1 10 10 LEU N N 15 120.088 0.024 . 1 . . . . . 10 L N . 25821 1 25 . 1 1 11 11 GLU H H 1 8.104 0.0016 . 1 . . . . . 11 E HN . 25821 1 26 . 1 1 11 11 GLU CA C 13 58.262 0.029 . 1 . . . . . 11 E CA . 25821 1 27 . 1 1 11 11 GLU N N 15 118.645 0.024 . 1 . . . . . 11 E N . 25821 1 28 . 1 1 12 12 GLU H H 1 7.847 0.0016 . 1 . . . . . 12 E HN . 25821 1 29 . 1 1 12 12 GLU CA C 13 56.396 0.029 . 1 . . . . . 12 E CA . 25821 1 30 . 1 1 12 12 GLU N N 15 117.626 0.024 . 1 . . . . . 12 E N . 25821 1 31 . 1 1 13 13 GLN H H 1 8.627 0.0016 . 1 . . . . . 13 Q HN . 25821 1 32 . 1 1 13 13 GLN CA C 13 56.230 0.029 . 1 . . . . . 13 Q CA . 25821 1 33 . 1 1 13 13 GLN N N 15 120.033 0.024 . 1 . . . . . 13 Q N . 25821 1 34 . 1 1 14 14 PHE H H 1 8.289 0.0016 . 1 . . . . . 14 F HN . 25821 1 35 . 1 1 14 14 PHE CA C 13 56.088 0.029 . 1 . . . . . 14 F CA . 25821 1 36 . 1 1 14 14 PHE N N 15 113.333 0.024 . 1 . . . . . 14 F N . 25821 1 37 . 1 1 15 15 ASP H H 1 7.822 0.0016 . 1 . . . . . 15 D HN . 25821 1 38 . 1 1 15 15 ASP CA C 13 52.215 0.029 . 1 . . . . . 15 D CA . 25821 1 39 . 1 1 15 15 ASP N N 15 122.721 0.024 . 1 . . . . . 15 D N . 25821 1 40 . 1 1 16 16 ALA H H 1 8.766 0.0016 . 1 . . . . . 16 A HN . 25821 1 41 . 1 1 16 16 ALA CA C 13 48.295 0.029 . 1 . . . . . 16 A CA . 25821 1 42 . 1 1 16 16 ALA N N 15 122.576 0.024 . 1 . . . . . 16 A N . 25821 1 43 . 1 1 17 17 LYS H H 1 9.158 0.0016 . 1 . . . . . 17 K HN . 25821 1 44 . 1 1 17 17 LYS CA C 13 52.113 0.029 . 1 . . . . . 17 K CA . 25821 1 45 . 1 1 17 17 LYS N N 15 120.877 0.024 . 1 . . . . . 17 K N . 25821 1 46 . 1 1 18 18 LEU H H 1 9.989 0.0016 . 1 . . . . . 18 L HN . 25821 1 47 . 1 1 18 18 LEU CA C 13 50.819 0.029 . 1 . . . . . 18 L CA . 25821 1 48 . 1 1 18 18 LEU N N 15 126.336 0.024 . 1 . . . . . 18 L N . 25821 1 49 . 1 1 19 19 GLY H H 1 8.480 0.0016 . 1 . . . . . 19 G HN . 25821 1 50 . 1 1 19 19 GLY CA C 13 42.601 0.029 . 1 . . . . . 19 G CA . 25821 1 51 . 1 1 19 19 GLY N N 15 107.591 0.024 . 1 . . . . . 19 G N . 25821 1 52 . 1 1 20 20 ILE H H 1 9.441 0.0016 . 1 . . . . . 20 I HN . 25821 1 53 . 1 1 20 20 ILE CA C 13 55.507 0.029 . 1 . . . . . 20 I CA . 25821 1 54 . 1 1 20 20 ILE N N 15 122.413 0.024 . 1 . . . . . 20 I N . 25821 1 55 . 1 1 21 21 PHE H H 1 8.090 0.0016 . 1 . . . . . 21 F HN . 25821 1 56 . 1 1 21 21 PHE CA C 13 56.563 0.029 . 1 . . . . . 21 F CA . 25821 1 57 . 1 1 21 21 PHE N N 15 125.041 0.024 . 1 . . . . . 21 F N . 25821 1 58 . 1 1 22 22 ALA H H 1 8.314 0.0016 . 1 . . . . . 22 A HN . 25821 1 59 . 1 1 22 22 ALA CA C 13 46.696 0.029 . 1 . . . . . 22 A CA . 25821 1 60 . 1 1 22 22 ALA N N 15 129.021 0.024 . 1 . . . . . 22 A N . 25821 1 61 . 1 1 23 23 LEU H H 1 8.847 0.0016 . 1 . . . . . 23 L HN . 25821 1 62 . 1 1 23 23 LEU CA C 13 50.543 0.029 . 1 . . . . . 23 L CA . 25821 1 63 . 1 1 23 23 LEU N N 15 121.303 0.024 . 1 . . . . . 23 L N . 25821 1 64 . 1 1 24 24 ASP H H 1 8.724 0.0016 . 1 . . . . . 24 D HN . 25821 1 65 . 1 1 24 24 ASP CA C 13 50.573 0.029 . 1 . . . . . 24 D CA . 25821 1 66 . 1 1 24 24 ASP N N 15 125.441 0.024 . 1 . . . . . 24 D N . 25821 1 67 . 1 1 25 25 THR H H 1 8.239 0.0016 . 1 . . . . . 25 T HN . 25821 1 68 . 1 1 25 25 THR CA C 13 61.970 0.029 . 1 . . . . . 25 T CA . 25821 1 69 . 1 1 25 25 THR N N 15 116.764 0.024 . 1 . . . . . 25 T N . 25821 1 70 . 1 1 26 26 GLY H H 1 8.658 0.0016 . 1 . . . . . 26 G HN . 25821 1 71 . 1 1 26 26 GLY CA C 13 43.944 0.029 . 1 . . . . . 26 G CA . 25821 1 72 . 1 1 26 26 GLY N N 15 108.902 0.024 . 1 . . . . . 26 G N . 25821 1 73 . 1 1 27 27 THR H H 1 6.883 0.0016 . 1 . . . . . 27 T HN . 25821 1 74 . 1 1 27 27 THR CA C 13 58.894 0.029 . 1 . . . . . 27 T CA . 25821 1 75 . 1 1 27 27 THR N N 15 106.547 0.024 . 1 . . . . . 27 T N . 25821 1 76 . 1 1 28 28 ASN H H 1 8.476 0.0016 . 1 . . . . . 28 N HN . 25821 1 77 . 1 1 28 28 ASN CA C 13 52.570 0.029 . 1 . . . . . 28 N CA . 25821 1 78 . 1 1 28 28 ASN N N 15 117.209 0.024 . 1 . . . . . 28 N N . 25821 1 79 . 1 1 29 29 ARG H H 1 7.588 0.0016 . 1 . . . . . 29 R HN . 25821 1 80 . 1 1 29 29 ARG CA C 13 54.544 0.029 . 1 . . . . . 29 R CA . 25821 1 81 . 1 1 29 29 ARG N N 15 118.778 0.024 . 1 . . . . . 29 R N . 25821 1 82 . 1 1 30 30 THR H H 1 7.980 0.0016 . 1 . . . . . 30 T HN . 25821 1 83 . 1 1 30 30 THR CA C 13 55.918 0.029 . 1 . . . . . 30 T CA . 25821 1 84 . 1 1 30 30 THR N N 15 109.922 0.024 . 1 . . . . . 30 T N . 25821 1 85 . 1 1 31 31 VAL H H 1 8.115 0.0016 . 1 . . . . . 31 V HN . 25821 1 86 . 1 1 31 31 VAL CA C 13 59.168 0.029 . 1 . . . . . 31 V CA . 25821 1 87 . 1 1 31 31 VAL N N 15 119.821 0.024 . 1 . . . . . 31 V N . 25821 1 88 . 1 1 32 32 ALA H H 1 8.491 0.0016 . 1 . . . . . 32 A HN . 25821 1 89 . 1 1 32 32 ALA CA C 13 48.190 0.029 . 1 . . . . . 32 A CA . 25821 1 90 . 1 1 32 32 ALA N N 15 127.242 0.024 . 1 . . . . . 32 A N . 25821 1 91 . 1 1 33 33 TYR H H 1 8.719 0.0016 . 1 . . . . . 33 Y HN . 25821 1 92 . 1 1 33 33 TYR CA C 13 57.007 0.029 . 1 . . . . . 33 Y CA . 25821 1 93 . 1 1 33 33 TYR N N 15 123.488 0.024 . 1 . . . . . 33 Y N . 25821 1 94 . 1 1 34 34 ARG H H 1 8.832 0.0016 . 1 . . . . . 34 R HN . 25821 1 95 . 1 1 34 34 ARG CA C 13 54.802 0.029 . 1 . . . . . 34 R CA . 25821 1 96 . 1 1 34 34 ARG N N 15 122.562 0.024 . 1 . . . . . 34 R N . 25821 1 97 . 1 1 36 36 ASP H H 1 8.187 0.0016 . 1 . . . . . 36 D HN . 25821 1 98 . 1 1 36 36 ASP CA C 13 50.954 0.029 . 1 . . . . . 36 D CA . 25821 1 99 . 1 1 36 36 ASP N N 15 113.873 0.024 . 1 . . . . . 36 D N . 25821 1 100 . 1 1 37 37 GLU H H 1 6.951 0.0016 . 1 . . . . . 37 E HN . 25821 1 101 . 1 1 37 37 GLU CA C 13 52.977 0.029 . 1 . . . . . 37 E CA . 25821 1 102 . 1 1 37 37 GLU N N 15 121.464 0.024 . 1 . . . . . 37 E N . 25821 1 103 . 1 1 38 38 ARG H H 1 8.454 0.0016 . 1 . . . . . 38 R HN . 25821 1 104 . 1 1 38 38 ARG CA C 13 54.016 0.029 . 1 . . . . . 38 R CA . 25821 1 105 . 1 1 38 38 ARG N N 15 123.817 0.024 . 1 . . . . . 38 R N . 25821 1 106 . 1 1 39 39 PHE H H 1 8.665 0.0016 . 1 . . . . . 39 F HN . 25821 1 107 . 1 1 39 39 PHE CA C 13 53.791 0.029 . 1 . . . . . 39 F CA . 25821 1 108 . 1 1 39 39 PHE N N 15 118.620 0.024 . 1 . . . . . 39 F N . 25821 1 109 . 1 1 40 40 ALA H H 1 9.263 0.0016 . 1 . . . . . 40 A HN . 25821 1 110 . 1 1 40 40 ALA CA C 13 50.123 0.029 . 1 . . . . . 40 A CA . 25821 1 111 . 1 1 40 40 ALA N N 15 125.510 0.024 . 1 . . . . . 40 A N . 25821 1 112 . 1 1 41 41 PHE H H 1 7.249 0.0016 . 1 . . . . . 41 F HN . 25821 1 113 . 1 1 41 41 PHE CA C 13 54.507 0.029 . 1 . . . . . 41 F CA . 25821 1 114 . 1 1 41 41 PHE N N 15 118.983 0.024 . 1 . . . . . 41 F N . 25821 1 115 . 1 1 42 42 ALA H H 1 10.284 0.0016 . 1 . . . . . 42 A HN . 25821 1 116 . 1 1 42 42 ALA CA C 13 49.874 0.029 . 1 . . . . . 42 A CA . 25821 1 117 . 1 1 42 42 ALA N N 15 132.488 0.024 . 1 . . . . . 42 A N . 25821 1 118 . 1 1 43 43 SER H H 1 7.728 0.0016 . 1 . . . . . 43 S HN . 25821 1 119 . 1 1 43 43 SER CA C 13 59.823 0.029 . 1 . . . . . 43 S CA . 25821 1 120 . 1 1 43 43 SER N N 15 113.444 0.024 . 1 . . . . . 43 S N . 25821 1 121 . 1 1 44 44 THR H H 1 7.744 0.0016 . 1 . . . . . 44 T HN . 25821 1 122 . 1 1 44 44 THR CA C 13 63.862 0.029 . 1 . . . . . 44 T CA . 25821 1 123 . 1 1 44 44 THR N N 15 114.301 0.024 . 1 . . . . . 44 T N . 25821 1 124 . 1 1 45 45 ILE H H 1 6.867 0.0016 . 1 . . . . . 45 I HN . 25821 1 125 . 1 1 45 45 ILE CA C 13 55.431 0.029 . 1 . . . . . 45 I CA . 25821 1 126 . 1 1 45 45 ILE N N 15 117.997 0.024 . 1 . . . . . 45 I N . 25821 1 127 . 1 1 46 46 LYS H H 1 8.090 0.0016 . 1 . . . . . 46 K HN . 25821 1 128 . 1 1 46 46 LYS CA C 13 57.205 0.029 . 1 . . . . . 46 K CA . 25821 1 129 . 1 1 46 46 LYS N N 15 126.183 0.024 . 1 . . . . . 46 K N . 25821 1 130 . 1 1 47 47 ALA H H 1 7.103 0.0016 . 1 . . . . . 47 A HN . 25821 1 131 . 1 1 47 47 ALA CA C 13 52.590 0.029 . 1 . . . . . 47 A CA . 25821 1 132 . 1 1 47 47 ALA N N 15 118.079 0.024 . 1 . . . . . 47 A N . 25821 1 133 . 1 1 48 48 LEU H H 1 6.023 0.0016 . 1 . . . . . 48 L HN . 25821 1 134 . 1 1 48 48 LEU CA C 13 54.250 0.029 . 1 . . . . . 48 L CA . 25821 1 135 . 1 1 48 48 LEU N N 15 113.299 0.024 . 1 . . . . . 48 L N . 25821 1 136 . 1 1 49 49 THR H H 1 7.843 0.0016 . 1 . . . . . 49 T HN . 25821 1 137 . 1 1 49 49 THR CA C 13 64.626 0.029 . 1 . . . . . 49 T CA . 25821 1 138 . 1 1 49 49 THR N N 15 113.306 0.024 . 1 . . . . . 49 T N . 25821 1 139 . 1 1 50 50 VAL H H 1 7.191 0.0016 . 1 . . . . . 50 V HN . 25821 1 140 . 1 1 50 50 VAL CA C 13 64.261 0.029 . 1 . . . . . 50 V CA . 25821 1 141 . 1 1 50 50 VAL N N 15 119.495 0.024 . 1 . . . . . 50 V N . 25821 1 142 . 1 1 51 51 GLY H H 1 7.346 0.0016 . 1 . . . . . 51 G HN . 25821 1 143 . 1 1 51 51 GLY CA C 13 44.856 0.029 . 1 . . . . . 51 G CA . 25821 1 144 . 1 1 51 51 GLY N N 15 106.961 0.024 . 1 . . . . . 51 G N . 25821 1 145 . 1 1 52 52 VAL H H 1 6.998 0.0016 . 1 . . . . . 52 V HN . 25821 1 146 . 1 1 52 52 VAL CA C 13 63.829 0.029 . 1 . . . . . 52 V CA . 25821 1 147 . 1 1 52 52 VAL N N 15 119.511 0.024 . 1 . . . . . 52 V N . 25821 1 148 . 1 1 53 53 LEU H H 1 8.013 0.0016 . 1 . . . . . 53 L HN . 25821 1 149 . 1 1 53 53 LEU CA C 13 56.221 0.029 . 1 . . . . . 53 L CA . 25821 1 150 . 1 1 53 53 LEU N N 15 121.258 0.024 . 1 . . . . . 53 L N . 25821 1 151 . 1 1 54 54 LEU H H 1 8.487 0.0016 . 1 . . . . . 54 L HN . 25821 1 152 . 1 1 54 54 LEU CA C 13 54.056 0.029 . 1 . . . . . 54 L CA . 25821 1 153 . 1 1 54 54 LEU N N 15 114.769 0.024 . 1 . . . . . 54 L N . 25821 1 154 . 1 1 55 55 GLN H H 1 7.851 0.0016 . 1 . . . . . 55 Q HN . 25821 1 155 . 1 1 55 55 GLN CA C 13 56.273 0.029 . 1 . . . . . 55 Q CA . 25821 1 156 . 1 1 55 55 GLN N N 15 117.917 0.024 . 1 . . . . . 55 Q N . 25821 1 157 . 1 1 56 56 GLN H H 1 7.680 0.0016 . 1 . . . . . 56 Q HN . 25821 1 158 . 1 1 56 56 GLN CA C 13 54.648 0.029 . 1 . . . . . 56 Q CA . 25821 1 159 . 1 1 56 56 GLN N N 15 114.897 0.024 . 1 . . . . . 56 Q N . 25821 1 160 . 1 1 57 57 LYS H H 1 7.726 0.0016 . 1 . . . . . 57 K HN . 25821 1 161 . 1 1 57 57 LYS CA C 13 50.445 0.029 . 1 . . . . . 57 K CA . 25821 1 162 . 1 1 57 57 LYS N N 15 118.952 0.024 . 1 . . . . . 57 K N . 25821 1 163 . 1 1 58 58 SER H H 1 9.110 0.0016 . 1 . . . . . 58 S HN . 25821 1 164 . 1 1 58 58 SER CA C 13 54.448 0.029 . 1 . . . . . 58 S CA . 25821 1 165 . 1 1 58 58 SER N N 15 117.104 0.024 . 1 . . . . . 58 S N . 25821 1 166 . 1 1 59 59 ILE H H 1 8.686 0.0016 . 1 . . . . . 59 I HN . 25821 1 167 . 1 1 59 59 ILE CA C 13 62.317 0.029 . 1 . . . . . 59 I CA . 25821 1 168 . 1 1 59 59 ILE N N 15 119.539 0.024 . 1 . . . . . 59 I N . 25821 1 169 . 1 1 60 60 GLU H H 1 8.543 0.0016 . 1 . . . . . 60 E HN . 25821 1 170 . 1 1 60 60 GLU CA C 13 57.166 0.029 . 1 . . . . . 60 E CA . 25821 1 171 . 1 1 60 60 GLU N N 15 120.811 0.024 . 1 . . . . . 60 E N . 25821 1 172 . 1 1 61 61 ASP H H 1 8.139 0.0016 . 1 . . . . . 61 D HN . 25821 1 173 . 1 1 61 61 ASP CA C 13 54.091 0.029 . 1 . . . . . 61 D CA . 25821 1 174 . 1 1 61 61 ASP N N 15 121.504 0.024 . 1 . . . . . 61 D N . 25821 1 175 . 1 1 62 62 LEU H H 1 7.711 0.0016 . 1 . . . . . 62 L HN . 25821 1 176 . 1 1 62 62 LEU CA C 13 53.550 0.029 . 1 . . . . . 62 L CA . 25821 1 177 . 1 1 62 62 LEU N N 15 116.935 0.024 . 1 . . . . . 62 L N . 25821 1 178 . 1 1 63 63 ASN H H 1 7.645 0.0016 . 1 . . . . . 63 N HN . 25821 1 179 . 1 1 63 63 ASN CA C 13 50.514 0.029 . 1 . . . . . 63 N CA . 25821 1 180 . 1 1 63 63 ASN N N 15 114.388 0.024 . 1 . . . . . 63 N N . 25821 1 181 . 1 1 64 64 GLN H H 1 7.491 0.0016 . 1 . . . . . 64 Q HN . 25821 1 182 . 1 1 64 64 GLN CA C 13 54.015 0.029 . 1 . . . . . 64 Q CA . 25821 1 183 . 1 1 64 64 GLN N N 15 120.357 0.024 . 1 . . . . . 64 Q N . 25821 1 184 . 1 1 65 65 ARG H H 1 8.535 0.0016 . 1 . . . . . 65 R HN . 25821 1 185 . 1 1 65 65 ARG CA C 13 54.307 0.029 . 1 . . . . . 65 R CA . 25821 1 186 . 1 1 65 65 ARG N N 15 124.863 0.024 . 1 . . . . . 65 R N . 25821 1 187 . 1 1 66 66 ILE H H 1 9.199 0.0016 . 1 . . . . . 66 I HN . 25821 1 188 . 1 1 66 66 ILE CA C 13 55.770 0.029 . 1 . . . . . 66 I CA . 25821 1 189 . 1 1 66 66 ILE N N 15 130.393 0.024 . 1 . . . . . 66 I N . 25821 1 190 . 1 1 67 67 THR H H 1 8.216 0.0016 . 1 . . . . . 67 T HN . 25821 1 191 . 1 1 67 67 THR CA C 13 58.091 0.029 . 1 . . . . . 67 T CA . 25821 1 192 . 1 1 67 67 THR N N 15 118.917 0.024 . 1 . . . . . 67 T N . 25821 1 193 . 1 1 68 68 TYR H H 1 8.374 0.0016 . 1 . . . . . 68 Y HN . 25821 1 194 . 1 1 68 68 TYR CA C 13 53.058 0.029 . 1 . . . . . 68 Y CA . 25821 1 195 . 1 1 68 68 TYR N N 15 121.451 0.024 . 1 . . . . . 68 Y N . 25821 1 196 . 1 1 69 69 THR H H 1 9.334 0.0016 . 1 . . . . . 69 T HN . 25821 1 197 . 1 1 69 69 THR CA C 13 57.214 0.029 . 1 . . . . . 69 T CA . 25821 1 198 . 1 1 69 69 THR N N 15 108.697 0.024 . 1 . . . . . 69 T N . 25821 1 199 . 1 1 70 70 ARG H H 1 9.019 0.0016 . 1 . . . . . 70 R HN . 25821 1 200 . 1 1 70 70 ARG CA C 13 56.897 0.029 . 1 . . . . . 70 R CA . 25821 1 201 . 1 1 70 70 ARG N N 15 118.830 0.024 . 1 . . . . . 70 R N . 25821 1 202 . 1 1 71 71 ASP H H 1 7.936 0.0016 . 1 . . . . . 71 D HN . 25821 1 203 . 1 1 71 71 ASP CA C 13 53.661 0.029 . 1 . . . . . 71 D CA . 25821 1 204 . 1 1 71 71 ASP N N 15 117.775 0.024 . 1 . . . . . 71 D N . 25821 1 205 . 1 1 72 72 ASP H H 1 7.798 0.0016 . 1 . . . . . 72 D HN . 25821 1 206 . 1 1 72 72 ASP CA C 13 52.988 0.029 . 1 . . . . . 72 D CA . 25821 1 207 . 1 1 72 72 ASP N N 15 116.628 0.024 . 1 . . . . . 72 D N . 25821 1 208 . 1 1 73 73 LEU H H 1 7.157 0.0016 . 1 . . . . . 73 L HN . 25821 1 209 . 1 1 73 73 LEU CA C 13 52.481 0.029 . 1 . . . . . 73 L CA . 25821 1 210 . 1 1 73 73 LEU N N 15 117.700 0.024 . 1 . . . . . 73 L N . 25821 1 211 . 1 1 74 74 VAL H H 1 8.450 0.0016 . 1 . . . . . 74 V HN . 25821 1 212 . 1 1 74 74 VAL CA C 13 56.463 0.029 . 1 . . . . . 74 V CA . 25821 1 213 . 1 1 74 74 VAL N N 15 114.068 0.024 . 1 . . . . . 74 V N . 25821 1 214 . 1 1 75 75 ASN H H 1 8.494 0.0016 . 1 . . . . . 75 N HN . 25821 1 215 . 1 1 75 75 ASN CA C 13 52.567 0.029 . 1 . . . . . 75 N CA . 25821 1 216 . 1 1 75 75 ASN N N 15 121.502 0.024 . 1 . . . . . 75 N N . 25821 1 217 . 1 1 76 76 TYR H H 1 6.722 0.0016 . 1 . . . . . 76 Y HN . 25821 1 218 . 1 1 76 76 TYR CA C 13 56.650 0.029 . 1 . . . . . 76 Y CA . 25821 1 219 . 1 1 76 76 TYR N N 15 121.830 0.024 . 1 . . . . . 76 Y N . 25821 1 220 . 1 1 77 77 ASN H H 1 8.908 0.0016 . 1 . . . . . 77 N HN . 25821 1 221 . 1 1 77 77 ASN CA C 13 47.166 0.029 . 1 . . . . . 77 N CA . 25821 1 222 . 1 1 77 77 ASN N N 15 126.502 0.024 . 1 . . . . . 77 N N . 25821 1 223 . 1 1 79 79 ILE H H 1 8.377 0.0016 . 1 . . . . . 79 I HN . 25821 1 224 . 1 1 79 79 ILE CA C 13 57.562 0.029 . 1 . . . . . 79 I CA . 25821 1 225 . 1 1 79 79 ILE N N 15 115.609 0.024 . 1 . . . . . 79 I N . 25821 1 226 . 1 1 80 80 THR H H 1 9.410 0.0016 . 1 . . . . . 80 T HN . 25821 1 227 . 1 1 80 80 THR CA C 13 61.626 0.029 . 1 . . . . . 80 T CA . 25821 1 228 . 1 1 80 80 THR N N 15 113.817 0.024 . 1 . . . . . 80 T N . 25821 1 229 . 1 1 81 81 GLU H H 1 8.224 0.0016 . 1 . . . . . 81 E HN . 25821 1 230 . 1 1 81 81 GLU CA C 13 56.380 0.029 . 1 . . . . . 81 E CA . 25821 1 231 . 1 1 81 81 GLU N N 15 119.713 0.024 . 1 . . . . . 81 E N . 25821 1 232 . 1 1 82 82 LYS H H 1 7.364 0.0016 . 1 . . . . . 82 K HN . 25821 1 233 . 1 1 82 82 LYS CA C 13 53.994 0.029 . 1 . . . . . 82 K CA . 25821 1 234 . 1 1 82 82 LYS N N 15 115.956 0.024 . 1 . . . . . 82 K N . 25821 1 235 . 1 1 83 83 HIS H H 1 6.836 0.0016 . 1 . . . . . 83 H HN . 25821 1 236 . 1 1 83 83 HIS CA C 13 52.386 0.029 . 1 . . . . . 83 H CA . 25821 1 237 . 1 1 83 83 HIS N N 15 113.956 0.024 . 1 . . . . . 83 H N . 25821 1 238 . 1 1 84 84 VAL H H 1 7.148 0.0016 . 1 . . . . . 84 V HN . 25821 1 239 . 1 1 84 84 VAL CA C 13 62.180 0.029 . 1 . . . . . 84 V CA . 25821 1 240 . 1 1 84 84 VAL N N 15 120.030 0.024 . 1 . . . . . 84 V N . 25821 1 241 . 1 1 85 85 ASP H H 1 8.310 0.0016 . 1 . . . . . 85 D HN . 25821 1 242 . 1 1 85 85 ASP CA C 13 53.684 0.029 . 1 . . . . . 85 D CA . 25821 1 243 . 1 1 85 85 ASP N N 15 115.236 0.024 . 1 . . . . . 85 D N . 25821 1 244 . 1 1 86 86 THR H H 1 7.398 0.0016 . 1 . . . . . 86 T HN . 25821 1 245 . 1 1 86 86 THR CA C 13 59.601 0.029 . 1 . . . . . 86 T CA . 25821 1 246 . 1 1 86 86 THR N N 15 107.469 0.024 . 1 . . . . . 86 T N . 25821 1 247 . 1 1 87 87 GLY H H 1 8.140 0.0016 . 1 . . . . . 87 G HN . 25821 1 248 . 1 1 87 87 GLY CA C 13 42.815 0.029 . 1 . . . . . 87 G CA . 25821 1 249 . 1 1 87 87 GLY N N 15 113.258 0.024 . 1 . . . . . 87 G N . 25821 1 250 . 1 1 88 88 MET H H 1 8.365 0.0016 . 1 . . . . . 88 M HN . 25821 1 251 . 1 1 88 88 MET CA C 13 52.483 0.029 . 1 . . . . . 88 M CA . 25821 1 252 . 1 1 88 88 MET N N 15 115.453 0.024 . 1 . . . . . 88 M N . 25821 1 253 . 1 1 89 89 THR H H 1 9.204 0.0016 . 1 . . . . . 89 T HN . 25821 1 254 . 1 1 89 89 THR CA C 13 58.062 0.029 . 1 . . . . . 89 T CA . 25821 1 255 . 1 1 89 89 THR N N 15 112.805 0.024 . 1 . . . . . 89 T N . 25821 1 256 . 1 1 90 90 LEU H H 1 7.864 0.0016 . 1 . . . . . 90 L HN . 25821 1 257 . 1 1 90 90 LEU CA C 13 56.126 0.029 . 1 . . . . . 90 L CA . 25821 1 258 . 1 1 90 90 LEU N N 15 120.246 0.024 . 1 . . . . . 90 L N . 25821 1 259 . 1 1 91 91 LYS H H 1 8.565 0.0016 . 1 . . . . . 91 K HN . 25821 1 260 . 1 1 91 91 LYS CA C 13 58.024 0.029 . 1 . . . . . 91 K CA . 25821 1 261 . 1 1 91 91 LYS N N 15 118.683 0.024 . 1 . . . . . 91 K N . 25821 1 262 . 1 1 92 92 GLU H H 1 7.646 0.0016 . 1 . . . . . 92 E HN . 25821 1 263 . 1 1 92 92 GLU CA C 13 55.875 0.029 . 1 . . . . . 92 E CA . 25821 1 264 . 1 1 92 92 GLU N N 15 117.647 0.024 . 1 . . . . . 92 E N . 25821 1 265 . 1 1 93 93 LEU H H 1 8.778 0.0016 . 1 . . . . . 93 L HN . 25821 1 266 . 1 1 93 93 LEU CA C 13 55.406 0.029 . 1 . . . . . 93 L CA . 25821 1 267 . 1 1 93 93 LEU N N 15 122.579 0.024 . 1 . . . . . 93 L N . 25821 1 268 . 1 1 94 94 ALA H H 1 8.127 0.0016 . 1 . . . . . 94 A HN . 25821 1 269 . 1 1 94 94 ALA CA C 13 52.568 0.029 . 1 . . . . . 94 A CA . 25821 1 270 . 1 1 94 94 ALA N N 15 124.063 0.024 . 1 . . . . . 94 A N . 25821 1 271 . 1 1 95 95 ASP H H 1 7.151 0.0016 . 1 . . . . . 95 D HN . 25821 1 272 . 1 1 95 95 ASP CA C 13 54.698 0.029 . 1 . . . . . 95 D CA . 25821 1 273 . 1 1 95 95 ASP N N 15 117.505 0.024 . 1 . . . . . 95 D N . 25821 1 274 . 1 1 96 96 ALA H H 1 7.718 0.0016 . 1 . . . . . 96 A HN . 25821 1 275 . 1 1 96 96 ALA CA C 13 52.828 0.029 . 1 . . . . . 96 A CA . 25821 1 276 . 1 1 96 96 ALA N N 15 118.760 0.024 . 1 . . . . . 96 A N . 25821 1 277 . 1 1 97 97 SER H H 1 8.532 0.0016 . 1 . . . . . 97 S HN . 25821 1 278 . 1 1 97 97 SER CA C 13 58.184 0.029 . 1 . . . . . 97 S CA . 25821 1 279 . 1 1 97 97 SER N N 15 113.506 0.024 . 1 . . . . . 97 S N . 25821 1 280 . 1 1 98 98 LEU H H 1 8.232 0.0016 . 1 . . . . . 98 L HN . 25821 1 281 . 1 1 98 98 LEU CA C 13 55.259 0.029 . 1 . . . . . 98 L CA . 25821 1 282 . 1 1 98 98 LEU N N 15 113.995 0.024 . 1 . . . . . 98 L N . 25821 1 283 . 1 1 99 99 ARG H H 1 9.055 0.0016 . 1 . . . . . 99 R HN . 25821 1 284 . 1 1 99 99 ARG CA C 13 56.457 0.029 . 1 . . . . . 99 R CA . 25821 1 285 . 1 1 99 99 ARG N N 15 114.993 0.024 . 1 . . . . . 99 R N . 25821 1 286 . 1 1 100 100 TYR H H 1 7.239 0.0016 . 1 . . . . . 100 Y HN . 25821 1 287 . 1 1 100 100 TYR CA C 13 55.370 0.029 . 1 . . . . . 100 Y CA . 25821 1 288 . 1 1 100 100 TYR N N 15 112.513 0.024 . 1 . . . . . 100 Y N . 25821 1 289 . 1 1 101 101 SER H H 1 7.473 0.0016 . 1 . . . . . 101 S HN . 25821 1 290 . 1 1 101 101 SER CA C 13 56.522 0.029 . 1 . . . . . 101 S CA . 25821 1 291 . 1 1 101 101 SER N N 15 119.601 0.024 . 1 . . . . . 101 S N . 25821 1 292 . 1 1 102 102 ASP H H 1 7.371 0.0016 . 1 . . . . . 102 D HN . 25821 1 293 . 1 1 102 102 ASP CA C 13 53.606 0.029 . 1 . . . . . 102 D CA . 25821 1 294 . 1 1 102 102 ASP N N 15 120.045 0.024 . 1 . . . . . 102 D N . 25821 1 295 . 1 1 103 103 ASN H H 1 8.457 0.0016 . 1 . . . . . 103 N HN . 25821 1 296 . 1 1 103 103 ASN CA C 13 53.319 0.029 . 1 . . . . . 103 N CA . 25821 1 297 . 1 1 103 103 ASN N N 15 127.113 0.024 . 1 . . . . . 103 N N . 25821 1 298 . 1 1 104 104 ALA H H 1 7.437 0.0016 . 1 . . . . . 104 A HN . 25821 1 299 . 1 1 104 104 ALA CA C 13 52.962 0.029 . 1 . . . . . 104 A CA . 25821 1 300 . 1 1 104 104 ALA N N 15 123.950 0.024 . 1 . . . . . 104 A N . 25821 1 301 . 1 1 105 105 ALA H H 1 8.341 0.0016 . 1 . . . . . 105 A HN . 25821 1 302 . 1 1 105 105 ALA CA C 13 52.605 0.029 . 1 . . . . . 105 A CA . 25821 1 303 . 1 1 105 105 ALA N N 15 118.875 0.024 . 1 . . . . . 105 A N . 25821 1 304 . 1 1 106 106 GLN H H 1 7.083 0.0016 . 1 . . . . . 106 Q HN . 25821 1 305 . 1 1 106 106 GLN CA C 13 54.956 0.029 . 1 . . . . . 106 Q CA . 25821 1 306 . 1 1 106 106 GLN N N 15 115.659 0.024 . 1 . . . . . 106 Q N . 25821 1 307 . 1 1 107 107 ASN H H 1 7.673 0.0016 . 1 . . . . . 107 N HN . 25821 1 308 . 1 1 107 107 ASN CA C 13 53.488 0.029 . 1 . . . . . 107 N CA . 25821 1 309 . 1 1 107 107 ASN N N 15 120.228 0.024 . 1 . . . . . 107 N N . 25821 1 310 . 1 1 108 108 LEU H H 1 8.470 0.0016 . 1 . . . . . 108 L HN . 25821 1 311 . 1 1 108 108 LEU CA C 13 55.759 0.029 . 1 . . . . . 108 L CA . 25821 1 312 . 1 1 108 108 LEU N N 15 120.918 0.024 . 1 . . . . . 108 L N . 25821 1 313 . 1 1 109 109 ILE H H 1 8.291 0.0016 . 1 . . . . . 109 I HN . 25821 1 314 . 1 1 109 109 ILE CA C 13 63.928 0.029 . 1 . . . . . 109 I CA . 25821 1 315 . 1 1 109 109 ILE N N 15 120.452 0.024 . 1 . . . . . 109 I N . 25821 1 316 . 1 1 110 110 LEU H H 1 9.011 0.0016 . 1 . . . . . 110 L HN . 25821 1 317 . 1 1 110 110 LEU CA C 13 54.788 0.029 . 1 . . . . . 110 L CA . 25821 1 318 . 1 1 110 110 LEU N N 15 120.214 0.024 . 1 . . . . . 110 L N . 25821 1 319 . 1 1 111 111 LYS H H 1 8.400 0.0016 . 1 . . . . . 111 K HN . 25821 1 320 . 1 1 111 111 LYS CA C 13 57.846 0.029 . 1 . . . . . 111 K CA . 25821 1 321 . 1 1 111 111 LYS N N 15 118.805 0.024 . 1 . . . . . 111 K N . 25821 1 322 . 1 1 112 112 GLN H H 1 7.702 0.0016 . 1 . . . . . 112 Q HN . 25821 1 323 . 1 1 112 112 GLN CA C 13 54.887 0.029 . 1 . . . . . 112 Q CA . 25821 1 324 . 1 1 112 112 GLN N N 15 117.911 0.024 . 1 . . . . . 112 Q N . 25821 1 325 . 1 1 113 113 ILE H H 1 7.412 0.0016 . 1 . . . . . 113 I HN . 25821 1 326 . 1 1 113 113 ILE CA C 13 58.634 0.029 . 1 . . . . . 113 I CA . 25821 1 327 . 1 1 113 113 ILE N N 15 110.105 0.024 . 1 . . . . . 113 I N . 25821 1 328 . 1 1 114 114 GLY H H 1 7.447 0.0016 . 1 . . . . . 114 G HN . 25821 1 329 . 1 1 114 114 GLY CA C 13 42.605 0.029 . 1 . . . . . 114 G CA . 25821 1 330 . 1 1 114 114 GLY N N 15 106.761 0.024 . 1 . . . . . 114 G N . 25821 1 331 . 1 1 115 115 GLY H H 1 8.528 0.0016 . 1 . . . . . 115 G HN . 25821 1 332 . 1 1 115 115 GLY CA C 13 42.096 0.029 . 1 . . . . . 115 G CA . 25821 1 333 . 1 1 115 115 GLY N N 15 108.866 0.024 . 1 . . . . . 115 G N . 25821 1 334 . 1 1 117 117 GLU H H 1 8.852 0.0016 . 1 . . . . . 117 E HN . 25821 1 335 . 1 1 117 117 GLU CA C 13 56.764 0.029 . 1 . . . . . 117 E CA . 25821 1 336 . 1 1 117 117 GLU N N 15 116.093 0.024 . 1 . . . . . 117 E N . 25821 1 337 . 1 1 118 118 SER H H 1 7.013 0.0016 . 1 . . . . . 118 S HN . 25821 1 338 . 1 1 118 118 SER CA C 13 58.446 0.029 . 1 . . . . . 118 S CA . 25821 1 339 . 1 1 118 118 SER N N 15 115.575 0.024 . 1 . . . . . 118 S N . 25821 1 340 . 1 1 119 119 LEU H H 1 7.765 0.0016 . 1 . . . . . 119 L HN . 25821 1 341 . 1 1 119 119 LEU CA C 13 55.831 0.029 . 1 . . . . . 119 L CA . 25821 1 342 . 1 1 119 119 LEU N N 15 121.004 0.024 . 1 . . . . . 119 L N . 25821 1 343 . 1 1 120 120 LYS H H 1 8.467 0.0016 . 1 . . . . . 120 K HN . 25821 1 344 . 1 1 120 120 LYS CA C 13 58.351 0.029 . 1 . . . . . 120 K CA . 25821 1 345 . 1 1 120 120 LYS N N 15 117.780 0.024 . 1 . . . . . 120 K N . 25821 1 346 . 1 1 121 121 LYS H H 1 7.702 0.0016 . 1 . . . . . 121 K HN . 25821 1 347 . 1 1 121 121 LYS CA C 13 57.619 0.029 . 1 . . . . . 121 K CA . 25821 1 348 . 1 1 121 121 LYS N N 15 117.287 0.024 . 1 . . . . . 121 K N . 25821 1 349 . 1 1 122 122 GLU H H 1 8.247 0.0016 . 1 . . . . . 122 E HN . 25821 1 350 . 1 1 122 122 GLU CA C 13 55.742 0.029 . 1 . . . . . 122 E CA . 25821 1 351 . 1 1 122 122 GLU N N 15 118.253 0.024 . 1 . . . . . 122 E N . 25821 1 352 . 1 1 123 123 LEU H H 1 8.295 0.0016 . 1 . . . . . 123 L HN . 25821 1 353 . 1 1 123 123 LEU CA C 13 54.637 0.029 . 1 . . . . . 123 L CA . 25821 1 354 . 1 1 123 123 LEU N N 15 120.347 0.024 . 1 . . . . . 123 L N . 25821 1 355 . 1 1 124 124 ARG H H 1 8.582 0.0016 . 1 . . . . . 124 R HN . 25821 1 356 . 1 1 124 124 ARG CA C 13 55.431 0.029 . 1 . . . . . 124 R CA . 25821 1 357 . 1 1 124 124 ARG N N 15 119.975 0.024 . 1 . . . . . 124 R N . 25821 1 358 . 1 1 125 125 LYS H H 1 7.680 0.0016 . 1 . . . . . 125 K HN . 25821 1 359 . 1 1 125 125 LYS CA C 13 56.878 0.029 . 1 . . . . . 125 K CA . 25821 1 360 . 1 1 125 125 LYS N N 15 119.005 0.024 . 1 . . . . . 125 K N . 25821 1 361 . 1 1 126 126 ILE H H 1 7.199 0.0016 . 1 . . . . . 126 I HN . 25821 1 362 . 1 1 126 126 ILE CA C 13 58.544 0.029 . 1 . . . . . 126 I CA . 25821 1 363 . 1 1 126 126 ILE N N 15 110.556 0.024 . 1 . . . . . 126 I N . 25821 1 364 . 1 1 127 127 GLY H H 1 7.598 0.0016 . 1 . . . . . 127 G HN . 25821 1 365 . 1 1 127 127 GLY CA C 13 42.231 0.029 . 1 . . . . . 127 G CA . 25821 1 366 . 1 1 127 127 GLY N N 15 108.190 0.024 . 1 . . . . . 127 G N . 25821 1 367 . 1 1 128 128 ASP H H 1 7.835 0.0016 . 1 . . . . . 128 D HN . 25821 1 368 . 1 1 128 128 ASP CA C 13 49.959 0.029 . 1 . . . . . 128 D CA . 25821 1 369 . 1 1 128 128 ASP N N 15 121.066 0.024 . 1 . . . . . 128 D N . 25821 1 370 . 1 1 129 129 GLU H H 1 8.484 0.0016 . 1 . . . . . 129 E HN . 25821 1 371 . 1 1 129 129 GLU CA C 13 53.237 0.029 . 1 . . . . . 129 E CA . 25821 1 372 . 1 1 129 129 GLU N N 15 123.811 0.024 . 1 . . . . . 129 E N . 25821 1 373 . 1 1 130 130 VAL H H 1 8.733 0.0016 . 1 . . . . . 130 V HN . 25821 1 374 . 1 1 130 130 VAL CA C 13 61.765 0.029 . 1 . . . . . 130 V CA . 25821 1 375 . 1 1 130 130 VAL N N 15 123.501 0.024 . 1 . . . . . 130 V N . 25821 1 376 . 1 1 131 131 THR H H 1 9.819 0.0016 . 1 . . . . . 131 T HN . 25821 1 377 . 1 1 131 131 THR CA C 13 62.481 0.029 . 1 . . . . . 131 T CA . 25821 1 378 . 1 1 131 131 THR N N 15 123.186 0.024 . 1 . . . . . 131 T N . 25821 1 379 . 1 1 132 132 ASN H H 1 8.617 0.0016 . 1 . . . . . 132 N HN . 25821 1 380 . 1 1 132 132 ASN CA C 13 48.197 0.029 . 1 . . . . . 132 N CA . 25821 1 381 . 1 1 132 132 ASN N N 15 124.440 0.024 . 1 . . . . . 132 N N . 25821 1 382 . 1 1 134 134 GLU H H 1 9.627 0.0016 . 1 . . . . . 134 E HN . 25821 1 383 . 1 1 134 134 GLU CA C 13 54.993 0.029 . 1 . . . . . 134 E CA . 25821 1 384 . 1 1 134 134 GLU N N 15 123.987 0.024 . 1 . . . . . 134 E N . 25821 1 385 . 1 1 135 135 ARG H H 1 8.705 0.0016 . 1 . . . . . 135 R HN . 25821 1 386 . 1 1 135 135 ARG CA C 13 52.816 0.029 . 1 . . . . . 135 R CA . 25821 1 387 . 1 1 135 135 ARG N N 15 120.468 0.024 . 1 . . . . . 135 R N . 25821 1 388 . 1 1 136 136 PHE H H 1 8.363 0.0016 . 1 . . . . . 136 F HN . 25821 1 389 . 1 1 136 136 PHE CA C 13 55.368 0.029 . 1 . . . . . 136 F CA . 25821 1 390 . 1 1 136 136 PHE N N 15 116.223 0.024 . 1 . . . . . 136 F N . 25821 1 391 . 1 1 137 137 GLU H H 1 9.567 0.0016 . 1 . . . . . 137 E HN . 25821 1 392 . 1 1 137 137 GLU CA C 13 52.982 0.029 . 1 . . . . . 137 E CA . 25821 1 393 . 1 1 137 137 GLU N N 15 116.769 0.024 . 1 . . . . . 137 E N . 25821 1 394 . 1 1 139 139 GLU H H 1 9.053 0.0016 . 1 . . . . . 139 E HN . 25821 1 395 . 1 1 139 139 GLU CA C 13 58.485 0.029 . 1 . . . . . 139 E CA . 25821 1 396 . 1 1 139 139 GLU N N 15 129.513 0.024 . 1 . . . . . 139 E N . 25821 1 397 . 1 1 140 140 LEU H H 1 7.969 0.0016 . 1 . . . . . 140 L HN . 25821 1 398 . 1 1 140 140 LEU CA C 13 54.809 0.029 . 1 . . . . . 140 L CA . 25821 1 399 . 1 1 140 140 LEU N N 15 114.709 0.024 . 1 . . . . . 140 L N . 25821 1 400 . 1 1 141 141 ASN H H 1 7.497 0.0016 . 1 . . . . . 141 N HN . 25821 1 401 . 1 1 141 141 ASN CA C 13 52.085 0.029 . 1 . . . . . 141 N CA . 25821 1 402 . 1 1 141 141 ASN N N 15 115.024 0.024 . 1 . . . . . 141 N N . 25821 1 403 . 1 1 142 142 GLU H H 1 7.984 0.0016 . 1 . . . . . 142 E HN . 25821 1 404 . 1 1 142 142 GLU CA C 13 52.562 0.029 . 1 . . . . . 142 E CA . 25821 1 405 . 1 1 142 142 GLU N N 15 121.227 0.024 . 1 . . . . . 142 E N . 25821 1 406 . 1 1 143 143 VAL H H 1 7.528 0.0016 . 1 . . . . . 143 V HN . 25821 1 407 . 1 1 143 143 VAL CA C 13 59.289 0.029 . 1 . . . . . 143 V CA . 25821 1 408 . 1 1 143 143 VAL N N 15 128.413 0.024 . 1 . . . . . 143 V N . 25821 1 409 . 1 1 144 144 ASN H H 1 8.447 0.0016 . 1 . . . . . 144 N HN . 25821 1 410 . 1 1 144 144 ASN CA C 13 48.147 0.029 . 1 . . . . . 144 N CA . 25821 1 411 . 1 1 144 144 ASN N N 15 125.476 0.024 . 1 . . . . . 144 N N . 25821 1 412 . 1 1 146 146 GLY H H 1 8.403 0.0016 . 1 . . . . . 146 G HN . 25821 1 413 . 1 1 146 146 GLY CA C 13 42.411 0.029 . 1 . . . . . 146 G CA . 25821 1 414 . 1 1 146 146 GLY N N 15 113.584 0.024 . 1 . . . . . 146 G N . 25821 1 415 . 1 1 147 147 GLU H H 1 7.806 0.0016 . 1 . . . . . 147 E HN . 25821 1 416 . 1 1 147 147 GLU CA C 13 53.333 0.029 . 1 . . . . . 147 E CA . 25821 1 417 . 1 1 147 147 GLU N N 15 120.279 0.024 . 1 . . . . . 147 E N . 25821 1 418 . 1 1 148 148 THR H H 1 8.270 0.0016 . 1 . . . . . 148 T HN . 25821 1 419 . 1 1 148 148 THR CA C 13 58.525 0.029 . 1 . . . . . 148 T CA . 25821 1 420 . 1 1 148 148 THR N N 15 105.991 0.024 . 1 . . . . . 148 T N . 25821 1 421 . 1 1 149 149 GLN H H 1 8.611 0.0016 . 1 . . . . . 149 Q HN . 25821 1 422 . 1 1 149 149 GLN CA C 13 54.496 0.029 . 1 . . . . . 149 Q CA . 25821 1 423 . 1 1 149 149 GLN N N 15 130.869 0.024 . 1 . . . . . 149 Q N . 25821 1 424 . 1 1 150 150 ASP H H 1 8.341 0.0016 . 1 . . . . . 150 D HN . 25821 1 425 . 1 1 150 150 ASP CA C 13 52.794 0.029 . 1 . . . . . 150 D CA . 25821 1 426 . 1 1 150 150 ASP N N 15 113.448 0.024 . 1 . . . . . 150 D N . 25821 1 427 . 1 1 151 151 THR H H 1 6.717 0.0016 . 1 . . . . . 151 T HN . 25821 1 428 . 1 1 151 151 THR CA C 13 56.315 0.029 . 1 . . . . . 151 T CA . 25821 1 429 . 1 1 151 151 THR N N 15 100.673 0.024 . 1 . . . . . 151 T N . 25821 1 430 . 1 1 152 152 SER H H 1 8.680 0.0016 . 1 . . . . . 152 S HN . 25821 1 431 . 1 1 152 152 SER CA C 13 54.313 0.029 . 1 . . . . . 152 S CA . 25821 1 432 . 1 1 152 152 SER N N 15 111.461 0.024 . 1 . . . . . 152 S N . 25821 1 433 . 1 1 153 153 THR H H 1 8.579 0.0016 . 1 . . . . . 153 T HN . 25821 1 434 . 1 1 153 153 THR CA C 13 55.542 0.029 . 1 . . . . . 153 T CA . 25821 1 435 . 1 1 153 153 THR N N 15 109.435 0.024 . 1 . . . . . 153 T N . 25821 1 436 . 1 1 154 154 ALA H H 1 9.930 0.0016 . 1 . . . . . 154 A HN . 25821 1 437 . 1 1 154 154 ALA CA C 13 53.316 0.029 . 1 . . . . . 154 A CA . 25821 1 438 . 1 1 154 154 ALA N N 15 125.301 0.024 . 1 . . . . . 154 A N . 25821 1 439 . 1 1 155 155 ARG H H 1 8.227 0.0016 . 1 . . . . . 155 R HN . 25821 1 440 . 1 1 155 155 ARG CA C 13 56.671 0.029 . 1 . . . . . 155 R CA . 25821 1 441 . 1 1 155 155 ARG N N 15 115.688 0.024 . 1 . . . . . 155 R N . 25821 1 442 . 1 1 156 156 ALA H H 1 7.846 0.0016 . 1 . . . . . 156 A HN . 25821 1 443 . 1 1 156 156 ALA CA C 13 52.557 0.029 . 1 . . . . . 156 A CA . 25821 1 444 . 1 1 156 156 ALA N N 15 123.246 0.024 . 1 . . . . . 156 A N . 25821 1 445 . 1 1 157 157 LEU H H 1 8.273 0.0016 . 1 . . . . . 157 L HN . 25821 1 446 . 1 1 157 157 LEU CA C 13 55.933 0.029 . 1 . . . . . 157 L CA . 25821 1 447 . 1 1 157 157 LEU N N 15 116.333 0.024 . 1 . . . . . 157 L N . 25821 1 448 . 1 1 158 158 VAL H H 1 7.699 0.0016 . 1 . . . . . 158 V HN . 25821 1 449 . 1 1 158 158 VAL CA C 13 64.869 0.029 . 1 . . . . . 158 V CA . 25821 1 450 . 1 1 158 158 VAL N N 15 117.436 0.024 . 1 . . . . . 158 V N . 25821 1 451 . 1 1 159 159 THR H H 1 7.925 0.0016 . 1 . . . . . 159 T HN . 25821 1 452 . 1 1 159 159 THR CA C 13 64.876 0.029 . 1 . . . . . 159 T CA . 25821 1 453 . 1 1 159 159 THR N N 15 116.216 0.024 . 1 . . . . . 159 T N . 25821 1 454 . 1 1 160 160 SER H H 1 8.838 0.0016 . 1 . . . . . 160 S HN . 25821 1 455 . 1 1 160 160 SER CA C 13 60.297 0.029 . 1 . . . . . 160 S CA . 25821 1 456 . 1 1 160 160 SER N N 15 120.770 0.024 . 1 . . . . . 160 S N . 25821 1 457 . 1 1 161 161 LEU H H 1 8.591 0.0016 . 1 . . . . . 161 L HN . 25821 1 458 . 1 1 161 161 LEU CA C 13 55.912 0.029 . 1 . . . . . 161 L CA . 25821 1 459 . 1 1 161 161 LEU N N 15 122.218 0.024 . 1 . . . . . 161 L N . 25821 1 460 . 1 1 162 162 ARG H H 1 8.702 0.0016 . 1 . . . . . 162 R HN . 25821 1 461 . 1 1 162 162 ARG CA C 13 57.486 0.029 . 1 . . . . . 162 R CA . 25821 1 462 . 1 1 162 162 ARG N N 15 117.496 0.024 . 1 . . . . . 162 R N . 25821 1 463 . 1 1 163 163 ALA H H 1 7.507 0.0016 . 1 . . . . . 163 A HN . 25821 1 464 . 1 1 163 163 ALA CA C 13 52.391 0.029 . 1 . . . . . 163 A CA . 25821 1 465 . 1 1 163 163 ALA N N 15 120.642 0.024 . 1 . . . . . 163 A N . 25821 1 466 . 1 1 164 164 PHE H H 1 7.062 0.0016 . 1 . . . . . 164 F HN . 25821 1 467 . 1 1 164 164 PHE CA C 13 58.459 0.029 . 1 . . . . . 164 F CA . 25821 1 468 . 1 1 164 164 PHE N N 15 109.087 0.024 . 1 . . . . . 164 F N . 25821 1 469 . 1 1 165 165 ALA H H 1 8.449 0.0016 . 1 . . . . . 165 A HN . 25821 1 470 . 1 1 165 165 ALA CA C 13 51.531 0.029 . 1 . . . . . 165 A CA . 25821 1 471 . 1 1 165 165 ALA N N 15 114.489 0.024 . 1 . . . . . 165 A N . 25821 1 472 . 1 1 166 166 LEU H H 1 8.183 0.0016 . 1 . . . . . 166 L HN . 25821 1 473 . 1 1 166 166 LEU CA C 13 51.969 0.029 . 1 . . . . . 166 L CA . 25821 1 474 . 1 1 166 166 LEU N N 15 111.997 0.024 . 1 . . . . . 166 L N . 25821 1 475 . 1 1 167 167 GLU H H 1 7.065 0.0016 . 1 . . . . . 167 E HN . 25821 1 476 . 1 1 167 167 GLU CA C 13 53.057 0.029 . 1 . . . . . 167 E CA . 25821 1 477 . 1 1 167 167 GLU N N 15 118.889 0.024 . 1 . . . . . 167 E N . 25821 1 478 . 1 1 168 168 ASP H H 1 8.149 0.0016 . 1 . . . . . 168 D HN . 25821 1 479 . 1 1 168 168 ASP CA C 13 51.508 0.029 . 1 . . . . . 168 D CA . 25821 1 480 . 1 1 168 168 ASP N N 15 117.041 0.024 . 1 . . . . . 168 D N . 25821 1 481 . 1 1 169 169 LYS H H 1 7.107 0.0016 . 1 . . . . . 169 K HN . 25821 1 482 . 1 1 169 169 LYS CA C 13 55.501 0.029 . 1 . . . . . 169 K CA . 25821 1 483 . 1 1 169 169 LYS N N 15 119.474 0.024 . 1 . . . . . 169 K N . 25821 1 484 . 1 1 170 170 LEU H H 1 8.547 0.0016 . 1 . . . . . 170 L HN . 25821 1 485 . 1 1 170 170 LEU CA C 13 48.842 0.029 . 1 . . . . . 170 L CA . 25821 1 486 . 1 1 170 170 LEU N N 15 118.060 0.024 . 1 . . . . . 170 L N . 25821 1 487 . 1 1 172 172 SER H H 1 9.145 0.0016 . 1 . . . . . 172 S HN . 25821 1 488 . 1 1 172 172 SER CA C 13 60.122 0.029 . 1 . . . . . 172 S CA . 25821 1 489 . 1 1 172 172 SER N N 15 119.897 0.024 . 1 . . . . . 172 S N . 25821 1 490 . 1 1 173 173 GLU H H 1 9.640 0.0016 . 1 . . . . . 173 E HN . 25821 1 491 . 1 1 173 173 GLU CA C 13 56.872 0.029 . 1 . . . . . 173 E CA . 25821 1 492 . 1 1 173 173 GLU N N 15 118.907 0.024 . 1 . . . . . 173 E N . 25821 1 493 . 1 1 174 174 LYS H H 1 7.256 0.0016 . 1 . . . . . 174 K HN . 25821 1 494 . 1 1 174 174 LYS CA C 13 56.381 0.029 . 1 . . . . . 174 K CA . 25821 1 495 . 1 1 174 174 LYS N N 15 116.303 0.024 . 1 . . . . . 174 K N . 25821 1 496 . 1 1 175 175 ARG H H 1 8.009 0.0016 . 1 . . . . . 175 R HN . 25821 1 497 . 1 1 175 175 ARG CA C 13 58.131 0.029 . 1 . . . . . 175 R CA . 25821 1 498 . 1 1 175 175 ARG N N 15 120.283 0.024 . 1 . . . . . 175 R N . 25821 1 499 . 1 1 176 176 GLU H H 1 8.073 0.0016 . 1 . . . . . 176 E HN . 25821 1 500 . 1 1 176 176 GLU CA C 13 56.456 0.029 . 1 . . . . . 176 E CA . 25821 1 501 . 1 1 176 176 GLU N N 15 114.043 0.024 . 1 . . . . . 176 E N . 25821 1 502 . 1 1 177 177 LEU H H 1 6.689 0.0016 . 1 . . . . . 177 L HN . 25821 1 503 . 1 1 177 177 LEU CA C 13 54.562 0.029 . 1 . . . . . 177 L CA . 25821 1 504 . 1 1 177 177 LEU N N 15 118.871 0.024 . 1 . . . . . 177 L N . 25821 1 505 . 1 1 178 178 LEU H H 1 6.830 0.0016 . 1 . . . . . 178 L HN . 25821 1 506 . 1 1 178 178 LEU CA C 13 55.816 0.029 . 1 . . . . . 178 L CA . 25821 1 507 . 1 1 178 178 LEU N N 15 117.578 0.024 . 1 . . . . . 178 L N . 25821 1 508 . 1 1 179 179 ILE H H 1 8.295 0.0016 . 1 . . . . . 179 I HN . 25821 1 509 . 1 1 179 179 ILE CA C 13 62.666 0.029 . 1 . . . . . 179 I CA . 25821 1 510 . 1 1 179 179 ILE N N 15 115.243 0.024 . 1 . . . . . 179 I N . 25821 1 511 . 1 1 180 180 ASP H H 1 7.832 0.0016 . 1 . . . . . 180 D HN . 25821 1 512 . 1 1 180 180 ASP CA C 13 55.484 0.029 . 1 . . . . . 180 D CA . 25821 1 513 . 1 1 180 180 ASP N N 15 119.646 0.024 . 1 . . . . . 180 D N . 25821 1 514 . 1 1 181 181 TRP H H 1 7.920 0.0016 . 1 . . . . . 181 W HN . 25821 1 515 . 1 1 181 181 TRP CA C 13 59.118 0.029 . 1 . . . . . 181 W CA . 25821 1 516 . 1 1 181 181 TRP N N 15 116.407 0.024 . 1 . . . . . 181 W N . 25821 1 517 . 1 1 182 182 MET H H 1 7.825 0.0016 . 1 . . . . . 182 M HN . 25821 1 518 . 1 1 182 182 MET CA C 13 56.361 0.029 . 1 . . . . . 182 M CA . 25821 1 519 . 1 1 182 182 MET N N 15 112.854 0.024 . 1 . . . . . 182 M N . 25821 1 520 . 1 1 183 183 LYS H H 1 9.456 0.0016 . 1 . . . . . 183 K HN . 25821 1 521 . 1 1 183 183 LYS CA C 13 57.615 0.029 . 1 . . . . . 183 K CA . 25821 1 522 . 1 1 183 183 LYS N N 15 123.980 0.024 . 1 . . . . . 183 K N . 25821 1 523 . 1 1 184 184 ARG H H 1 7.491 0.0016 . 1 . . . . . 184 R HN . 25821 1 524 . 1 1 184 184 ARG CA C 13 52.903 0.029 . 1 . . . . . 184 R CA . 25821 1 525 . 1 1 184 184 ARG N N 15 116.428 0.024 . 1 . . . . . 184 R N . 25821 1 526 . 1 1 185 185 ASN H H 1 7.203 0.0016 . 1 . . . . . 185 N HN . 25821 1 527 . 1 1 185 185 ASN CA C 13 52.996 0.029 . 1 . . . . . 185 N CA . 25821 1 528 . 1 1 185 185 ASN N N 15 119.190 0.024 . 1 . . . . . 185 N N . 25821 1 529 . 1 1 186 186 THR H H 1 8.410 0.0016 . 1 . . . . . 186 T HN . 25821 1 530 . 1 1 186 186 THR CA C 13 60.358 0.029 . 1 . . . . . 186 T CA . 25821 1 531 . 1 1 186 186 THR N N 15 117.630 0.024 . 1 . . . . . 186 T N . 25821 1 532 . 1 1 187 187 THR H H 1 7.401 0.0016 . 1 . . . . . 187 T HN . 25821 1 533 . 1 1 187 187 THR CA C 13 60.553 0.029 . 1 . . . . . 187 T CA . 25821 1 534 . 1 1 187 187 THR N N 15 110.293 0.024 . 1 . . . . . 187 T N . 25821 1 535 . 1 1 188 188 GLY H H 1 8.979 0.0016 . 1 . . . . . 188 G HN . 25821 1 536 . 1 1 188 188 GLY CA C 13 43.415 0.029 . 1 . . . . . 188 G CA . 25821 1 537 . 1 1 188 188 GLY N N 15 112.527 0.024 . 1 . . . . . 188 G N . 25821 1 538 . 1 1 189 189 ASP H H 1 8.795 0.0016 . 1 . . . . . 189 D HN . 25821 1 539 . 1 1 189 189 ASP CA C 13 55.908 0.029 . 1 . . . . . 189 D CA . 25821 1 540 . 1 1 189 189 ASP N N 15 124.064 0.024 . 1 . . . . . 189 D N . 25821 1 541 . 1 1 190 190 ALA H H 1 8.312 0.0016 . 1 . . . . . 190 A HN . 25821 1 542 . 1 1 190 190 ALA CA C 13 49.147 0.029 . 1 . . . . . 190 A CA . 25821 1 543 . 1 1 190 190 ALA N N 15 117.512 0.024 . 1 . . . . . 190 A N . 25821 1 544 . 1 1 191 191 LEU H H 1 6.760 0.0016 . 1 . . . . . 191 L HN . 25821 1 545 . 1 1 191 191 LEU CA C 13 51.631 0.029 . 1 . . . . . 191 L CA . 25821 1 546 . 1 1 191 191 LEU N N 15 118.433 0.024 . 1 . . . . . 191 L N . 25821 1 547 . 1 1 192 192 ILE H H 1 7.914 0.0016 . 1 . . . . . 192 I HN . 25821 1 548 . 1 1 192 192 ILE CA C 13 63.078 0.029 . 1 . . . . . 192 I CA . 25821 1 549 . 1 1 192 192 ILE N N 15 126.944 0.024 . 1 . . . . . 192 I N . 25821 1 550 . 1 1 193 193 ARG H H 1 9.019 0.0016 . 1 . . . . . 193 R HN . 25821 1 551 . 1 1 193 193 ARG CA C 13 57.397 0.029 . 1 . . . . . 193 R CA . 25821 1 552 . 1 1 193 193 ARG N N 15 116.394 0.024 . 1 . . . . . 193 R N . 25821 1 553 . 1 1 194 194 ALA H H 1 7.095 0.0016 . 1 . . . . . 194 A HN . 25821 1 554 . 1 1 194 194 ALA CA C 13 50.090 0.029 . 1 . . . . . 194 A CA . 25821 1 555 . 1 1 194 194 ALA N N 15 118.145 0.024 . 1 . . . . . 194 A N . 25821 1 556 . 1 1 195 195 GLY H H 1 8.253 0.0016 . 1 . . . . . 195 G HN . 25821 1 557 . 1 1 195 195 GLY CA C 13 42.317 0.029 . 1 . . . . . 195 G CA . 25821 1 558 . 1 1 195 195 GLY N N 15 106.147 0.024 . 1 . . . . . 195 G N . 25821 1 559 . 1 1 196 196 VAL H H 1 6.621 0.0016 . 1 . . . . . 196 V HN . 25821 1 560 . 1 1 196 196 VAL CA C 13 55.709 0.029 . 1 . . . . . 196 V CA . 25821 1 561 . 1 1 196 196 VAL N N 15 113.012 0.024 . 1 . . . . . 196 V N . 25821 1 562 . 1 1 198 198 ASP H H 1 8.004 0.0016 . 1 . . . . . 198 D HN . 25821 1 563 . 1 1 198 198 ASP CA C 13 53.241 0.029 . 1 . . . . . 198 D CA . 25821 1 564 . 1 1 198 198 ASP N N 15 120.206 0.024 . 1 . . . . . 198 D N . 25821 1 565 . 1 1 199 199 GLY H H 1 8.734 0.0016 . 1 . . . . . 199 G HN . 25821 1 566 . 1 1 199 199 GLY CA C 13 42.763 0.029 . 1 . . . . . 199 G CA . 25821 1 567 . 1 1 199 199 GLY N N 15 111.442 0.024 . 1 . . . . . 199 G N . 25821 1 568 . 1 1 200 200 TRP H H 1 7.796 0.0016 . 1 . . . . . 200 W HN . 25821 1 569 . 1 1 200 200 TRP CA C 13 54.891 0.029 . 1 . . . . . 200 W CA . 25821 1 570 . 1 1 200 200 TRP N N 15 123.027 0.024 . 1 . . . . . 200 W N . 25821 1 571 . 1 1 201 201 GLU H H 1 8.558 0.0016 . 1 . . . . . 201 E HN . 25821 1 572 . 1 1 201 201 GLU CA C 13 54.412 0.029 . 1 . . . . . 201 E CA . 25821 1 573 . 1 1 201 201 GLU N N 15 123.173 0.024 . 1 . . . . . 201 E N . 25821 1 574 . 1 1 202 202 VAL H H 1 8.643 0.0016 . 1 . . . . . 202 V HN . 25821 1 575 . 1 1 202 202 VAL CA C 13 58.837 0.029 . 1 . . . . . 202 V CA . 25821 1 576 . 1 1 202 202 VAL N N 15 121.543 0.024 . 1 . . . . . 202 V N . 25821 1 577 . 1 1 203 203 ALA H H 1 9.443 0.0016 . 1 . . . . . 203 A HN . 25821 1 578 . 1 1 203 203 ALA CA C 13 47.151 0.029 . 1 . . . . . 203 A CA . 25821 1 579 . 1 1 203 203 ALA N N 15 129.376 0.024 . 1 . . . . . 203 A N . 25821 1 580 . 1 1 204 204 ASP H H 1 8.151 0.0016 . 1 . . . . . 204 D HN . 25821 1 581 . 1 1 204 204 ASP CA C 13 50.445 0.029 . 1 . . . . . 204 D CA . 25821 1 582 . 1 1 204 204 ASP N N 15 121.445 0.024 . 1 . . . . . 204 D N . 25821 1 583 . 1 1 205 205 LYS H H 1 8.655 0.0016 . 1 . . . . . 205 K HN . 25821 1 584 . 1 1 205 205 LYS CA C 13 53.206 0.029 . 1 . . . . . 205 K CA . 25821 1 585 . 1 1 205 205 LYS N N 15 115.975 0.024 . 1 . . . . . 205 K N . 25821 1 586 . 1 1 206 206 THR H H 1 6.086 0.0016 . 1 . . . . . 206 T HN . 25821 1 587 . 1 1 206 206 THR CA C 13 58.471 0.029 . 1 . . . . . 206 T CA . 25821 1 588 . 1 1 206 206 THR N N 15 113.445 0.024 . 1 . . . . . 206 T N . 25821 1 589 . 1 1 207 207 GLY H H 1 8.583 0.0016 . 1 . . . . . 207 G HN . 25821 1 590 . 1 1 207 207 GLY CA C 13 44.561 0.029 . 1 . . . . . 207 G CA . 25821 1 591 . 1 1 207 207 GLY N N 15 103.302 0.024 . 1 . . . . . 207 G N . 25821 1 592 . 1 1 209 209 ALA H H 1 8.891 0.0016 . 1 . . . . . 209 A HN . 25821 1 593 . 1 1 209 209 ALA CA C 13 48.753 0.029 . 1 . . . . . 209 A CA . 25821 1 594 . 1 1 209 209 ALA N N 15 124.057 0.024 . 1 . . . . . 209 A N . 25821 1 595 . 1 1 210 210 SER H H 1 7.951 0.0016 . 1 . . . . . 210 S HN . 25821 1 596 . 1 1 210 210 SER CA C 13 57.136 0.029 . 1 . . . . . 210 S CA . 25821 1 597 . 1 1 210 210 SER N N 15 113.407 0.024 . 1 . . . . . 210 S N . 25821 1 598 . 1 1 211 211 TYR H H 1 8.809 0.0016 . 1 . . . . . 211 Y HN . 25821 1 599 . 1 1 211 211 TYR CA C 13 56.827 0.029 . 1 . . . . . 211 Y CA . 25821 1 600 . 1 1 211 211 TYR N N 15 115.182 0.024 . 1 . . . . . 211 Y N . 25821 1 601 . 1 1 212 212 GLY H H 1 8.919 0.0016 . 1 . . . . . 212 G HN . 25821 1 602 . 1 1 212 212 GLY CA C 13 45.477 0.029 . 1 . . . . . 212 G CA . 25821 1 603 . 1 1 212 212 GLY N N 15 104.948 0.024 . 1 . . . . . 212 G N . 25821 1 604 . 1 1 213 213 THR H H 1 7.318 0.0016 . 1 . . . . . 213 T HN . 25821 1 605 . 1 1 213 213 THR CA C 13 60.932 0.029 . 1 . . . . . 213 T CA . 25821 1 606 . 1 1 213 213 THR N N 15 116.828 0.024 . 1 . . . . . 213 T N . 25821 1 607 . 1 1 214 214 ARG H H 1 7.962 0.0016 . 1 . . . . . 214 R HN . 25821 1 608 . 1 1 214 214 ARG CA C 13 51.165 0.029 . 1 . . . . . 214 R CA . 25821 1 609 . 1 1 214 214 ARG N N 15 127.521 0.024 . 1 . . . . . 214 R N . 25821 1 610 . 1 1 215 215 ASN H H 1 8.173 0.0016 . 1 . . . . . 215 N HN . 25821 1 611 . 1 1 215 215 ASN CA C 13 47.871 0.029 . 1 . . . . . 215 N CA . 25821 1 612 . 1 1 215 215 ASN N N 15 122.226 0.024 . 1 . . . . . 215 N N . 25821 1 613 . 1 1 216 216 ASP H H 1 9.174 0.0016 . 1 . . . . . 216 D HN . 25821 1 614 . 1 1 216 216 ASP CA C 13 51.218 0.029 . 1 . . . . . 216 D CA . 25821 1 615 . 1 1 216 216 ASP N N 15 118.754 0.024 . 1 . . . . . 216 D N . 25821 1 616 . 1 1 217 217 ILE H H 1 8.032 0.0016 . 1 . . . . . 217 I HN . 25821 1 617 . 1 1 217 217 ILE CA C 13 56.078 0.029 . 1 . . . . . 217 I CA . 25821 1 618 . 1 1 217 217 ILE N N 15 118.485 0.024 . 1 . . . . . 217 I N . 25821 1 619 . 1 1 218 218 ALA H H 1 9.623 0.0016 . 1 . . . . . 218 A HN . 25821 1 620 . 1 1 218 218 ALA CA C 13 48.497 0.029 . 1 . . . . . 218 A CA . 25821 1 621 . 1 1 218 218 ALA N N 15 123.389 0.024 . 1 . . . . . 218 A N . 25821 1 622 . 1 1 219 219 ILE H H 1 8.831 0.0016 . 1 . . . . . 219 I HN . 25821 1 623 . 1 1 219 219 ILE CA C 13 57.927 0.029 . 1 . . . . . 219 I CA . 25821 1 624 . 1 1 219 219 ILE N N 15 118.185 0.024 . 1 . . . . . 219 I N . 25821 1 625 . 1 1 220 220 ILE H H 1 9.087 0.0016 . 1 . . . . . 220 I HN . 25821 1 626 . 1 1 220 220 ILE CA C 13 56.824 0.029 . 1 . . . . . 220 I CA . 25821 1 627 . 1 1 220 220 ILE N N 15 124.857 0.024 . 1 . . . . . 220 I N . 25821 1 628 . 1 1 221 221 TRP H H 1 9.552 0.0016 . 1 . . . . . 221 W HN . 25821 1 629 . 1 1 221 221 TRP CA C 13 54.052 0.029 . 1 . . . . . 221 W CA . 25821 1 630 . 1 1 221 221 TRP N N 15 127.405 0.024 . 1 . . . . . 221 W N . 25821 1 631 . 1 1 224 224 LYS H H 1 7.794 0.0016 . 1 . . . . . 224 K HN . 25821 1 632 . 1 1 224 224 LYS CA C 13 53.501 0.029 . 1 . . . . . 224 K CA . 25821 1 633 . 1 1 224 224 LYS N N 15 116.011 0.024 . 1 . . . . . 224 K N . 25821 1 634 . 1 1 225 225 GLY H H 1 7.955 0.0016 . 1 . . . . . 225 G HN . 25821 1 635 . 1 1 225 225 GLY CA C 13 41.312 0.029 . 1 . . . . . 225 G CA . 25821 1 636 . 1 1 225 225 GLY N N 15 108.711 0.024 . 1 . . . . . 225 G N . 25821 1 637 . 1 1 226 226 ASP H H 1 7.989 0.0016 . 1 . . . . . 226 D HN . 25821 1 638 . 1 1 226 226 ASP CA C 13 50.463 0.029 . 1 . . . . . 226 D CA . 25821 1 639 . 1 1 226 226 ASP N N 15 119.738 0.024 . 1 . . . . . 226 D N . 25821 1 640 . 1 1 228 228 VAL H H 1 9.122 0.0016 . 1 . . . . . 228 V HN . 25821 1 641 . 1 1 228 228 VAL CA C 13 57.390 0.029 . 1 . . . . . 228 V CA . 25821 1 642 . 1 1 228 228 VAL N N 15 122.467 0.024 . 1 . . . . . 228 V N . 25821 1 643 . 1 1 229 229 VAL H H 1 8.773 0.0016 . 1 . . . . . 229 V HN . 25821 1 644 . 1 1 229 229 VAL CA C 13 57.797 0.029 . 1 . . . . . 229 V CA . 25821 1 645 . 1 1 229 229 VAL N N 15 126.209 0.024 . 1 . . . . . 229 V N . 25821 1 646 . 1 1 230 230 LEU H H 1 9.283 0.0016 . 1 . . . . . 230 L HN . 25821 1 647 . 1 1 230 230 LEU CA C 13 51.734 0.029 . 1 . . . . . 230 L CA . 25821 1 648 . 1 1 230 230 LEU N N 15 127.821 0.024 . 1 . . . . . 230 L N . 25821 1 649 . 1 1 231 231 ALA H H 1 8.748 0.0016 . 1 . . . . . 231 A HN . 25821 1 650 . 1 1 231 231 ALA CA C 13 48.490 0.029 . 1 . . . . . 231 A CA . 25821 1 651 . 1 1 231 231 ALA N N 15 124.819 0.024 . 1 . . . . . 231 A N . 25821 1 652 . 1 1 232 232 VAL H H 1 8.415 0.0016 . 1 . . . . . 232 V HN . 25821 1 653 . 1 1 232 232 VAL CA C 13 59.276 0.029 . 1 . . . . . 232 V CA . 25821 1 654 . 1 1 232 232 VAL N N 15 119.917 0.024 . 1 . . . . . 232 V N . 25821 1 655 . 1 1 233 233 LEU H H 1 9.286 0.0016 . 1 . . . . . 233 L HN . 25821 1 656 . 1 1 233 233 LEU CA C 13 48.988 0.029 . 1 . . . . . 233 L CA . 25821 1 657 . 1 1 233 233 LEU N N 15 127.256 0.024 . 1 . . . . . 233 L N . 25821 1 658 . 1 1 234 234 SER H H 1 7.659 0.0016 . 1 . . . . . 234 S HN . 25821 1 659 . 1 1 234 234 SER CA C 13 55.224 0.029 . 1 . . . . . 234 S CA . 25821 1 660 . 1 1 234 234 SER N N 15 112.499 0.024 . 1 . . . . . 234 S N . 25821 1 661 . 1 1 235 235 SER H H 1 8.932 0.0016 . 1 . . . . . 235 S HN . 25821 1 662 . 1 1 235 235 SER CA C 13 56.047 0.029 . 1 . . . . . 235 S CA . 25821 1 663 . 1 1 235 235 SER N N 15 111.667 0.024 . 1 . . . . . 235 S N . 25821 1 664 . 1 1 236 236 ARG H H 1 9.175 0.0016 . 1 . . . . . 236 R HN . 25821 1 665 . 1 1 236 236 ARG CA C 13 52.888 0.029 . 1 . . . . . 236 R CA . 25821 1 666 . 1 1 236 236 ARG N N 15 118.074 0.024 . 1 . . . . . 236 R N . 25821 1 667 . 1 1 237 237 ASP H H 1 8.362 0.0016 . 1 . . . . . 237 D HN . 25821 1 668 . 1 1 237 237 ASP CA C 13 52.898 0.029 . 1 . . . . . 237 D CA . 25821 1 669 . 1 1 237 237 ASP N N 15 116.001 0.024 . 1 . . . . . 237 D N . 25821 1 670 . 1 1 238 238 LYS H H 1 7.126 0.0016 . 1 . . . . . 238 K HN . 25821 1 671 . 1 1 238 238 LYS CA C 13 51.969 0.029 . 1 . . . . . 238 K CA . 25821 1 672 . 1 1 238 238 LYS N N 15 116.935 0.024 . 1 . . . . . 238 K N . 25821 1 673 . 1 1 239 239 LYS H H 1 8.584 0.0016 . 1 . . . . . 239 K HN . 25821 1 674 . 1 1 239 239 LYS CA C 13 56.828 0.029 . 1 . . . . . 239 K CA . 25821 1 675 . 1 1 239 239 LYS N N 15 125.794 0.024 . 1 . . . . . 239 K N . 25821 1 676 . 1 1 240 240 ASP H H 1 8.245 0.0016 . 1 . . . . . 240 D HN . 25821 1 677 . 1 1 240 240 ASP CA C 13 50.112 0.029 . 1 . . . . . 240 D CA . 25821 1 678 . 1 1 240 240 ASP N N 15 114.772 0.024 . 1 . . . . . 240 D N . 25821 1 679 . 1 1 241 241 ALA H H 1 7.203 0.0016 . 1 . . . . . 241 A HN . 25821 1 680 . 1 1 241 241 ALA CA C 13 50.160 0.029 . 1 . . . . . 241 A CA . 25821 1 681 . 1 1 241 241 ALA N N 15 121.921 0.024 . 1 . . . . . 241 A N . 25821 1 682 . 1 1 242 242 LYS H H 1 8.349 0.0016 . 1 . . . . . 242 K HN . 25821 1 683 . 1 1 242 242 LYS CA C 13 52.393 0.029 . 1 . . . . . 242 K CA . 25821 1 684 . 1 1 242 242 LYS N N 15 120.424 0.024 . 1 . . . . . 242 K N . 25821 1 685 . 1 1 243 243 TYR H H 1 7.060 0.0016 . 1 . . . . . 243 Y HN . 25821 1 686 . 1 1 243 243 TYR CA C 13 52.465 0.029 . 1 . . . . . 243 Y CA . 25821 1 687 . 1 1 243 243 TYR N N 15 116.787 0.024 . 1 . . . . . 243 Y N . 25821 1 688 . 1 1 244 244 ASP H H 1 9.181 0.0016 . 1 . . . . . 244 D HN . 25821 1 689 . 1 1 244 244 ASP CA C 13 50.216 0.029 . 1 . . . . . 244 D CA . 25821 1 690 . 1 1 244 244 ASP N N 15 120.901 0.024 . 1 . . . . . 244 D N . 25821 1 691 . 1 1 245 245 ASP H H 1 9.003 0.0016 . 1 . . . . . 245 D HN . 25821 1 692 . 1 1 245 245 ASP CA C 13 55.381 0.029 . 1 . . . . . 245 D CA . 25821 1 693 . 1 1 245 245 ASP N N 15 128.764 0.024 . 1 . . . . . 245 D N . 25821 1 694 . 1 1 246 246 LYS H H 1 8.641 0.0016 . 1 . . . . . 246 K HN . 25821 1 695 . 1 1 246 246 LYS CA C 13 56.328 0.029 . 1 . . . . . 246 K CA . 25821 1 696 . 1 1 246 246 LYS N N 15 117.727 0.024 . 1 . . . . . 246 K N . 25821 1 697 . 1 1 247 247 LEU H H 1 7.028 0.0016 . 1 . . . . . 247 L HN . 25821 1 698 . 1 1 247 247 LEU CA C 13 55.347 0.029 . 1 . . . . . 247 L CA . 25821 1 699 . 1 1 247 247 LEU N N 15 117.613 0.024 . 1 . . . . . 247 L N . 25821 1 700 . 1 1 248 248 ILE H H 1 6.953 0.0016 . 1 . . . . . 248 I HN . 25821 1 701 . 1 1 248 248 ILE CA C 13 60.170 0.029 . 1 . . . . . 248 I CA . 25821 1 702 . 1 1 248 248 ILE N N 15 115.535 0.024 . 1 . . . . . 248 I N . 25821 1 703 . 1 1 249 249 ALA H H 1 7.315 0.0016 . 1 . . . . . 249 A HN . 25821 1 704 . 1 1 249 249 ALA CA C 13 53.699 0.029 . 1 . . . . . 249 A CA . 25821 1 705 . 1 1 249 249 ALA N N 15 125.735 0.024 . 1 . . . . . 249 A N . 25821 1 706 . 1 1 250 250 GLU H H 1 8.690 0.0016 . 1 . . . . . 250 E HN . 25821 1 707 . 1 1 250 250 GLU CA C 13 56.179 0.029 . 1 . . . . . 250 E CA . 25821 1 708 . 1 1 250 250 GLU N N 15 115.065 0.024 . 1 . . . . . 250 E N . 25821 1 709 . 1 1 251 251 ALA H H 1 8.582 0.0016 . 1 . . . . . 251 A HN . 25821 1 710 . 1 1 251 251 ALA CA C 13 52.872 0.029 . 1 . . . . . 251 A CA . 25821 1 711 . 1 1 251 251 ALA N N 15 122.852 0.024 . 1 . . . . . 251 A N . 25821 1 712 . 1 1 252 252 THR H H 1 7.863 0.0016 . 1 . . . . . 252 T HN . 25821 1 713 . 1 1 252 252 THR CA C 13 65.770 0.029 . 1 . . . . . 252 T CA . 25821 1 714 . 1 1 252 252 THR N N 15 115.452 0.024 . 1 . . . . . 252 T N . 25821 1 715 . 1 1 253 253 LYS H H 1 7.576 0.0016 . 1 . . . . . 253 K HN . 25821 1 716 . 1 1 253 253 LYS CA C 13 57.905 0.029 . 1 . . . . . 253 K CA . 25821 1 717 . 1 1 253 253 LYS N N 15 121.000 0.024 . 1 . . . . . 253 K N . 25821 1 718 . 1 1 254 254 VAL H H 1 7.302 0.0016 . 1 . . . . . 254 V HN . 25821 1 719 . 1 1 254 254 VAL CA C 13 64.013 0.029 . 1 . . . . . 254 V CA . 25821 1 720 . 1 1 254 254 VAL N N 15 119.471 0.024 . 1 . . . . . 254 V N . 25821 1 721 . 1 1 255 255 VAL H H 1 7.900 0.0016 . 1 . . . . . 255 V HN . 25821 1 722 . 1 1 255 255 VAL CA C 13 64.781 0.029 . 1 . . . . . 255 V CA . 25821 1 723 . 1 1 255 255 VAL N N 15 120.276 0.024 . 1 . . . . . 255 V N . 25821 1 724 . 1 1 256 256 MET H H 1 8.277 0.0016 . 1 . . . . . 256 M HN . 25821 1 725 . 1 1 256 256 MET CA C 13 54.270 0.029 . 1 . . . . . 256 M CA . 25821 1 726 . 1 1 256 256 MET N N 15 114.805 0.024 . 1 . . . . . 256 M N . 25821 1 727 . 1 1 257 257 LYS H H 1 7.671 0.0016 . 1 . . . . . 257 K HN . 25821 1 728 . 1 1 257 257 LYS CA C 13 56.730 0.029 . 1 . . . . . 257 K CA . 25821 1 729 . 1 1 257 257 LYS N N 15 120.320 0.024 . 1 . . . . . 257 K N . 25821 1 730 . 1 1 258 258 ALA H H 1 8.248 0.0016 . 1 . . . . . 258 A HN . 25821 1 731 . 1 1 258 258 ALA CA C 13 51.990 0.029 . 1 . . . . . 258 A CA . 25821 1 732 . 1 1 258 258 ALA N N 15 123.369 0.024 . 1 . . . . . 258 A N . 25821 1 733 . 1 1 259 259 LEU H H 1 7.755 0.0016 . 1 . . . . . 259 L HN . 25821 1 734 . 1 1 259 259 LEU CA C 13 52.249 0.029 . 1 . . . . . 259 L CA . 25821 1 735 . 1 1 259 259 LEU N N 15 115.620 0.024 . 1 . . . . . 259 L N . 25821 1 736 . 1 1 260 260 ASN H H 1 7.987 0.0016 . 1 . . . . . 260 N HN . 25821 1 737 . 1 1 260 260 ASN CA C 13 51.537 0.029 . 1 . . . . . 260 N CA . 25821 1 738 . 1 1 260 260 ASN N N 15 116.886 0.024 . 1 . . . . . 260 N N . 25821 1 739 . 1 1 261 261 MET H H 1 8.235 0.0016 . 1 . . . . . 261 M HN . 25821 1 740 . 1 1 261 261 MET CA C 13 53.099 0.029 . 1 . . . . . 261 M CA . 25821 1 741 . 1 1 261 261 MET N N 15 117.861 0.024 . 1 . . . . . 261 M N . 25821 1 742 . 1 1 262 262 ASN H H 1 8.277 0.0016 . 1 . . . . . 262 N HN . 25821 1 743 . 1 1 262 262 ASN CA C 13 50.656 0.029 . 1 . . . . . 262 N CA . 25821 1 744 . 1 1 262 262 ASN N N 15 117.507 0.024 . 1 . . . . . 262 N N . 25821 1 745 . 1 1 263 263 GLY H H 1 8.259 0.0016 . 1 . . . . . 263 G HN . 25821 1 746 . 1 1 263 263 GLY CA C 13 42.861 0.029 . 1 . . . . . 263 G CA . 25821 1 747 . 1 1 263 263 GLY N N 15 108.622 0.024 . 1 . . . . . 263 G N . 25821 1 748 . 1 1 264 264 LYS H H 1 8.145 0.0016 . 1 . . . . . 264 K HN . 25821 1 749 . 1 1 264 264 LYS CA C 13 53.459 0.029 . 1 . . . . . 264 K CA . 25821 1 750 . 1 1 264 264 LYS N N 15 120.336 0.024 . 1 . . . . . 264 K N . 25821 1 751 . 1 1 265 265 GLY H H 1 8.269 0.0016 . 1 . . . . . 265 G HN . 25821 1 752 . 1 1 265 265 GLY CA C 13 41.991 0.029 . 1 . . . . . 265 G CA . 25821 1 753 . 1 1 265 265 GLY N N 15 109.598 0.024 . 1 . . . . . 265 G N . 25821 1 stop_ save_