data_51639 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51639 _Entry.Title ; Solid State MAS NMR chemical shift assignment of KR2 in DMPC/DMPA proteoliposomes ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-09-26 _Entry.Accession_date 2022-09-26 _Entry.Last_release_date 2022-09-26 _Entry.Original_release_date 2022-09-26 _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 solid-state _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 Clara Kriebel . N. . 0000-0002-1332-3760 51639 2 Johanna Becker-Baldus . . . 0000-0003-1995-7323 51639 3 Clemens Glaubitz . . . 0000-0002-3554-6586 51639 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Institute of Biophysical Chemistry, Goethe University Frankfurt and BMRZ, Goethe University Frankfurt' . 51639 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51639 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 703 51639 '15N chemical shifts' 177 51639 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 4 . . 2023-04-06 2022-03-01 update BMRB 'update entry citation' 51639 3 . . 2022-12-05 2022-03-01 update author 'update assignments' 51639 2 . . 2022-10-11 2022-03-01 update author 'update assignments' 51639 1 . . 2022-10-01 2022-03-01 original author 'original release' 51639 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51639 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36528791 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural and functional consequences of the H180A mutation of the light-driven sodium pump KR2 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full 'Biophysical journal' _Citation.Journal_volume 122 _Citation.Journal_issue 6 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1542-0086 _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 1003 _Citation.Page_last 1017 _Citation.Year 2023 _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 'Clara Nassrin' Kriebel C. N. . . 51639 1 2 Marvin Asido M. . . . 51639 1 3 Jagdeep Kaur J. . . . 51639 1 4 Jennifer Orth J. . . . 51639 1 5 Philipp Braun P. . . . 51639 1 6 Johanna Becker-Baldus J. . . . 51639 1 7 Josef Wachtveitl J. . . . 51639 1 8 Clemens Glaubitz C. . . . 51639 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51639 _Assembly.ID 1 _Assembly.Name 'KR2 Pentamer' _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 Protomer 1 $entity_1 . . yes native no no . . . 51639 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51639 _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 ; MTQELGNANFENFIGATEGF SEIAYQFTSHILTLGYAVML AGLLYFILTIKNVDKKFQMS NILSAVVMVSAFLLLYAQAQ NWTSSFTFNEEVGRYFLDPS GDLFNNGYRYLNWLIDVPML LFQILFVVSLTTSKFSSVRN QFWFSGAMMIITGYIGQFYE VSNLTAFLVWGAISSAFFFH ILWVMKKVINEGKEGISPAG QKILSNIWILFLISWTLYPG AYLMPYLTGVDGFLYSEDGV MARQLVYTIADVSSKVIYGV LLGNLAITLSKNKELVEANS LEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 288 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Microbial retinal protein, Sodiumpump' 51639 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 . 51639 1 2 . THR . 51639 1 3 . GLN . 51639 1 4 . GLU . 51639 1 5 . LEU . 51639 1 6 . GLY . 51639 1 7 . ASN . 51639 1 8 . ALA . 51639 1 9 . ASN . 51639 1 10 . PHE . 51639 1 11 . GLU . 51639 1 12 . ASN . 51639 1 13 . PHE . 51639 1 14 . ILE . 51639 1 15 . GLY . 51639 1 16 . ALA . 51639 1 17 . THR . 51639 1 18 . GLU . 51639 1 19 . GLY . 51639 1 20 . PHE . 51639 1 21 . SER . 51639 1 22 . GLU . 51639 1 23 . ILE . 51639 1 24 . ALA . 51639 1 25 . TYR . 51639 1 26 . GLN . 51639 1 27 . PHE . 51639 1 28 . THR . 51639 1 29 . SER . 51639 1 30 . HIS . 51639 1 31 . ILE . 51639 1 32 . LEU . 51639 1 33 . THR . 51639 1 34 . LEU . 51639 1 35 . GLY . 51639 1 36 . TYR . 51639 1 37 . ALA . 51639 1 38 . VAL . 51639 1 39 . MET . 51639 1 40 . LEU . 51639 1 41 . ALA . 51639 1 42 . GLY . 51639 1 43 . LEU . 51639 1 44 . LEU . 51639 1 45 . TYR . 51639 1 46 . PHE . 51639 1 47 . ILE . 51639 1 48 . LEU . 51639 1 49 . THR . 51639 1 50 . ILE . 51639 1 51 . LYS . 51639 1 52 . ASN . 51639 1 53 . VAL . 51639 1 54 . ASP . 51639 1 55 . LYS . 51639 1 56 . LYS . 51639 1 57 . PHE . 51639 1 58 . GLN . 51639 1 59 . MET . 51639 1 60 . SER . 51639 1 61 . ASN . 51639 1 62 . ILE . 51639 1 63 . LEU . 51639 1 64 . SER . 51639 1 65 . ALA . 51639 1 66 . VAL . 51639 1 67 . VAL . 51639 1 68 . MET . 51639 1 69 . VAL . 51639 1 70 . SER . 51639 1 71 . ALA . 51639 1 72 . PHE . 51639 1 73 . LEU . 51639 1 74 . LEU . 51639 1 75 . LEU . 51639 1 76 . TYR . 51639 1 77 . ALA . 51639 1 78 . GLN . 51639 1 79 . ALA . 51639 1 80 . GLN . 51639 1 81 . ASN . 51639 1 82 . TRP . 51639 1 83 . THR . 51639 1 84 . SER . 51639 1 85 . SER . 51639 1 86 . PHE . 51639 1 87 . THR . 51639 1 88 . PHE . 51639 1 89 . ASN . 51639 1 90 . GLU . 51639 1 91 . GLU . 51639 1 92 . VAL . 51639 1 93 . GLY . 51639 1 94 . ARG . 51639 1 95 . TYR . 51639 1 96 . PHE . 51639 1 97 . LEU . 51639 1 98 . ASP . 51639 1 99 . PRO . 51639 1 100 . SER . 51639 1 101 . GLY . 51639 1 102 . ASP . 51639 1 103 . LEU . 51639 1 104 . PHE . 51639 1 105 . ASN . 51639 1 106 . ASN . 51639 1 107 . GLY . 51639 1 108 . TYR . 51639 1 109 . ARG . 51639 1 110 . TYR . 51639 1 111 . LEU . 51639 1 112 . ASN . 51639 1 113 . TRP . 51639 1 114 . LEU . 51639 1 115 . ILE . 51639 1 116 . ASP . 51639 1 117 . VAL . 51639 1 118 . PRO . 51639 1 119 . MET . 51639 1 120 . LEU . 51639 1 121 . LEU . 51639 1 122 . PHE . 51639 1 123 . GLN . 51639 1 124 . ILE . 51639 1 125 . LEU . 51639 1 126 . PHE . 51639 1 127 . VAL . 51639 1 128 . VAL . 51639 1 129 . SER . 51639 1 130 . LEU . 51639 1 131 . THR . 51639 1 132 . THR . 51639 1 133 . SER . 51639 1 134 . LYS . 51639 1 135 . PHE . 51639 1 136 . SER . 51639 1 137 . SER . 51639 1 138 . VAL . 51639 1 139 . ARG . 51639 1 140 . ASN . 51639 1 141 . GLN . 51639 1 142 . PHE . 51639 1 143 . TRP . 51639 1 144 . PHE . 51639 1 145 . SER . 51639 1 146 . GLY . 51639 1 147 . ALA . 51639 1 148 . MET . 51639 1 149 . MET . 51639 1 150 . ILE . 51639 1 151 . ILE . 51639 1 152 . THR . 51639 1 153 . GLY . 51639 1 154 . TYR . 51639 1 155 . ILE . 51639 1 156 . GLY . 51639 1 157 . GLN . 51639 1 158 . PHE . 51639 1 159 . TYR . 51639 1 160 . GLU . 51639 1 161 . VAL . 51639 1 162 . SER . 51639 1 163 . ASN . 51639 1 164 . LEU . 51639 1 165 . THR . 51639 1 166 . ALA . 51639 1 167 . PHE . 51639 1 168 . LEU . 51639 1 169 . VAL . 51639 1 170 . TRP . 51639 1 171 . GLY . 51639 1 172 . ALA . 51639 1 173 . ILE . 51639 1 174 . SER . 51639 1 175 . SER . 51639 1 176 . ALA . 51639 1 177 . PHE . 51639 1 178 . PHE . 51639 1 179 . PHE . 51639 1 180 . HIS . 51639 1 181 . ILE . 51639 1 182 . LEU . 51639 1 183 . TRP . 51639 1 184 . VAL . 51639 1 185 . MET . 51639 1 186 . LYS . 51639 1 187 . LYS . 51639 1 188 . VAL . 51639 1 189 . ILE . 51639 1 190 . ASN . 51639 1 191 . GLU . 51639 1 192 . GLY . 51639 1 193 . LYS . 51639 1 194 . GLU . 51639 1 195 . GLY . 51639 1 196 . ILE . 51639 1 197 . SER . 51639 1 198 . PRO . 51639 1 199 . ALA . 51639 1 200 . GLY . 51639 1 201 . GLN . 51639 1 202 . LYS . 51639 1 203 . ILE . 51639 1 204 . LEU . 51639 1 205 . SER . 51639 1 206 . ASN . 51639 1 207 . ILE . 51639 1 208 . TRP . 51639 1 209 . ILE . 51639 1 210 . LEU . 51639 1 211 . PHE . 51639 1 212 . LEU . 51639 1 213 . ILE . 51639 1 214 . SER . 51639 1 215 . TRP . 51639 1 216 . THR . 51639 1 217 . LEU . 51639 1 218 . TYR . 51639 1 219 . PRO . 51639 1 220 . GLY . 51639 1 221 . ALA . 51639 1 222 . TYR . 51639 1 223 . LEU . 51639 1 224 . MET . 51639 1 225 . PRO . 51639 1 226 . TYR . 51639 1 227 . LEU . 51639 1 228 . THR . 51639 1 229 . GLY . 51639 1 230 . VAL . 51639 1 231 . ASP . 51639 1 232 . GLY . 51639 1 233 . PHE . 51639 1 234 . LEU . 51639 1 235 . TYR . 51639 1 236 . SER . 51639 1 237 . GLU . 51639 1 238 . ASP . 51639 1 239 . GLY . 51639 1 240 . VAL . 51639 1 241 . MET . 51639 1 242 . ALA . 51639 1 243 . ARG . 51639 1 244 . GLN . 51639 1 245 . LEU . 51639 1 246 . VAL . 51639 1 247 . TYR . 51639 1 248 . THR . 51639 1 249 . ILE . 51639 1 250 . ALA . 51639 1 251 . ASP . 51639 1 252 . VAL . 51639 1 253 . SER . 51639 1 254 . SER . 51639 1 255 . LYS . 51639 1 256 . VAL . 51639 1 257 . ILE . 51639 1 258 . TYR . 51639 1 259 . GLY . 51639 1 260 . VAL . 51639 1 261 . LEU . 51639 1 262 . LEU . 51639 1 263 . GLY . 51639 1 264 . ASN . 51639 1 265 . LEU . 51639 1 266 . ALA . 51639 1 267 . ILE . 51639 1 268 . THR . 51639 1 269 . LEU . 51639 1 270 . SER . 51639 1 271 . LYS . 51639 1 272 . ASN . 51639 1 273 . LYS . 51639 1 274 . GLU . 51639 1 275 . LEU . 51639 1 276 . VAL . 51639 1 277 . GLU . 51639 1 278 . ALA . 51639 1 279 . ASN . 51639 1 280 . SER . 51639 1 281 . LEU . 51639 1 282 . GLU . 51639 1 283 . HIS . 51639 1 284 . HIS . 51639 1 285 . HIS . 51639 1 286 . HIS . 51639 1 287 . HIS . 51639 1 288 . HIS . 51639 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 51639 1 . THR 2 2 51639 1 . GLN 3 3 51639 1 . GLU 4 4 51639 1 . LEU 5 5 51639 1 . GLY 6 6 51639 1 . ASN 7 7 51639 1 . ALA 8 8 51639 1 . ASN 9 9 51639 1 . PHE 10 10 51639 1 . GLU 11 11 51639 1 . ASN 12 12 51639 1 . PHE 13 13 51639 1 . ILE 14 14 51639 1 . GLY 15 15 51639 1 . ALA 16 16 51639 1 . THR 17 17 51639 1 . GLU 18 18 51639 1 . GLY 19 19 51639 1 . PHE 20 20 51639 1 . SER 21 21 51639 1 . GLU 22 22 51639 1 . ILE 23 23 51639 1 . ALA 24 24 51639 1 . TYR 25 25 51639 1 . GLN 26 26 51639 1 . PHE 27 27 51639 1 . THR 28 28 51639 1 . SER 29 29 51639 1 . HIS 30 30 51639 1 . ILE 31 31 51639 1 . LEU 32 32 51639 1 . THR 33 33 51639 1 . LEU 34 34 51639 1 . GLY 35 35 51639 1 . TYR 36 36 51639 1 . ALA 37 37 51639 1 . VAL 38 38 51639 1 . MET 39 39 51639 1 . LEU 40 40 51639 1 . ALA 41 41 51639 1 . GLY 42 42 51639 1 . LEU 43 43 51639 1 . LEU 44 44 51639 1 . TYR 45 45 51639 1 . PHE 46 46 51639 1 . ILE 47 47 51639 1 . LEU 48 48 51639 1 . THR 49 49 51639 1 . ILE 50 50 51639 1 . LYS 51 51 51639 1 . ASN 52 52 51639 1 . VAL 53 53 51639 1 . ASP 54 54 51639 1 . LYS 55 55 51639 1 . LYS 56 56 51639 1 . PHE 57 57 51639 1 . GLN 58 58 51639 1 . MET 59 59 51639 1 . SER 60 60 51639 1 . ASN 61 61 51639 1 . ILE 62 62 51639 1 . LEU 63 63 51639 1 . SER 64 64 51639 1 . ALA 65 65 51639 1 . VAL 66 66 51639 1 . VAL 67 67 51639 1 . MET 68 68 51639 1 . VAL 69 69 51639 1 . SER 70 70 51639 1 . ALA 71 71 51639 1 . PHE 72 72 51639 1 . LEU 73 73 51639 1 . LEU 74 74 51639 1 . LEU 75 75 51639 1 . TYR 76 76 51639 1 . ALA 77 77 51639 1 . GLN 78 78 51639 1 . ALA 79 79 51639 1 . GLN 80 80 51639 1 . ASN 81 81 51639 1 . TRP 82 82 51639 1 . THR 83 83 51639 1 . SER 84 84 51639 1 . SER 85 85 51639 1 . PHE 86 86 51639 1 . THR 87 87 51639 1 . PHE 88 88 51639 1 . ASN 89 89 51639 1 . GLU 90 90 51639 1 . GLU 91 91 51639 1 . VAL 92 92 51639 1 . GLY 93 93 51639 1 . ARG 94 94 51639 1 . TYR 95 95 51639 1 . PHE 96 96 51639 1 . LEU 97 97 51639 1 . ASP 98 98 51639 1 . PRO 99 99 51639 1 . SER 100 100 51639 1 . GLY 101 101 51639 1 . ASP 102 102 51639 1 . LEU 103 103 51639 1 . PHE 104 104 51639 1 . ASN 105 105 51639 1 . ASN 106 106 51639 1 . GLY 107 107 51639 1 . TYR 108 108 51639 1 . ARG 109 109 51639 1 . TYR 110 110 51639 1 . LEU 111 111 51639 1 . ASN 112 112 51639 1 . TRP 113 113 51639 1 . LEU 114 114 51639 1 . ILE 115 115 51639 1 . ASP 116 116 51639 1 . VAL 117 117 51639 1 . PRO 118 118 51639 1 . MET 119 119 51639 1 . LEU 120 120 51639 1 . LEU 121 121 51639 1 . PHE 122 122 51639 1 . GLN 123 123 51639 1 . ILE 124 124 51639 1 . LEU 125 125 51639 1 . PHE 126 126 51639 1 . VAL 127 127 51639 1 . VAL 128 128 51639 1 . SER 129 129 51639 1 . LEU 130 130 51639 1 . THR 131 131 51639 1 . THR 132 132 51639 1 . SER 133 133 51639 1 . LYS 134 134 51639 1 . PHE 135 135 51639 1 . SER 136 136 51639 1 . SER 137 137 51639 1 . VAL 138 138 51639 1 . ARG 139 139 51639 1 . ASN 140 140 51639 1 . GLN 141 141 51639 1 . PHE 142 142 51639 1 . TRP 143 143 51639 1 . PHE 144 144 51639 1 . SER 145 145 51639 1 . GLY 146 146 51639 1 . ALA 147 147 51639 1 . MET 148 148 51639 1 . MET 149 149 51639 1 . ILE 150 150 51639 1 . ILE 151 151 51639 1 . THR 152 152 51639 1 . GLY 153 153 51639 1 . TYR 154 154 51639 1 . ILE 155 155 51639 1 . GLY 156 156 51639 1 . GLN 157 157 51639 1 . PHE 158 158 51639 1 . TYR 159 159 51639 1 . GLU 160 160 51639 1 . VAL 161 161 51639 1 . SER 162 162 51639 1 . ASN 163 163 51639 1 . LEU 164 164 51639 1 . THR 165 165 51639 1 . ALA 166 166 51639 1 . PHE 167 167 51639 1 . LEU 168 168 51639 1 . VAL 169 169 51639 1 . TRP 170 170 51639 1 . GLY 171 171 51639 1 . ALA 172 172 51639 1 . ILE 173 173 51639 1 . SER 174 174 51639 1 . SER 175 175 51639 1 . ALA 176 176 51639 1 . PHE 177 177 51639 1 . PHE 178 178 51639 1 . PHE 179 179 51639 1 . HIS 180 180 51639 1 . ILE 181 181 51639 1 . LEU 182 182 51639 1 . TRP 183 183 51639 1 . VAL 184 184 51639 1 . MET 185 185 51639 1 . LYS 186 186 51639 1 . LYS 187 187 51639 1 . VAL 188 188 51639 1 . ILE 189 189 51639 1 . ASN 190 190 51639 1 . GLU 191 191 51639 1 . GLY 192 192 51639 1 . LYS 193 193 51639 1 . GLU 194 194 51639 1 . GLY 195 195 51639 1 . ILE 196 196 51639 1 . SER 197 197 51639 1 . PRO 198 198 51639 1 . ALA 199 199 51639 1 . GLY 200 200 51639 1 . GLN 201 201 51639 1 . LYS 202 202 51639 1 . ILE 203 203 51639 1 . LEU 204 204 51639 1 . SER 205 205 51639 1 . ASN 206 206 51639 1 . ILE 207 207 51639 1 . TRP 208 208 51639 1 . ILE 209 209 51639 1 . LEU 210 210 51639 1 . PHE 211 211 51639 1 . LEU 212 212 51639 1 . ILE 213 213 51639 1 . SER 214 214 51639 1 . TRP 215 215 51639 1 . THR 216 216 51639 1 . LEU 217 217 51639 1 . TYR 218 218 51639 1 . PRO 219 219 51639 1 . GLY 220 220 51639 1 . ALA 221 221 51639 1 . TYR 222 222 51639 1 . LEU 223 223 51639 1 . MET 224 224 51639 1 . PRO 225 225 51639 1 . TYR 226 226 51639 1 . LEU 227 227 51639 1 . THR 228 228 51639 1 . GLY 229 229 51639 1 . VAL 230 230 51639 1 . ASP 231 231 51639 1 . GLY 232 232 51639 1 . PHE 233 233 51639 1 . LEU 234 234 51639 1 . TYR 235 235 51639 1 . SER 236 236 51639 1 . GLU 237 237 51639 1 . ASP 238 238 51639 1 . GLY 239 239 51639 1 . VAL 240 240 51639 1 . MET 241 241 51639 1 . ALA 242 242 51639 1 . ARG 243 243 51639 1 . GLN 244 244 51639 1 . LEU 245 245 51639 1 . VAL 246 246 51639 1 . TYR 247 247 51639 1 . THR 248 248 51639 1 . ILE 249 249 51639 1 . ALA 250 250 51639 1 . ASP 251 251 51639 1 . VAL 252 252 51639 1 . SER 253 253 51639 1 . SER 254 254 51639 1 . LYS 255 255 51639 1 . VAL 256 256 51639 1 . ILE 257 257 51639 1 . TYR 258 258 51639 1 . GLY 259 259 51639 1 . VAL 260 260 51639 1 . LEU 261 261 51639 1 . LEU 262 262 51639 1 . GLY 263 263 51639 1 . ASN 264 264 51639 1 . LEU 265 265 51639 1 . ALA 266 266 51639 1 . ILE 267 267 51639 1 . THR 268 268 51639 1 . LEU 269 269 51639 1 . SER 270 270 51639 1 . LYS 271 271 51639 1 . ASN 272 272 51639 1 . LYS 273 273 51639 1 . GLU 274 274 51639 1 . LEU 275 275 51639 1 . VAL 276 276 51639 1 . GLU 277 277 51639 1 . ALA 278 278 51639 1 . ASN 279 279 51639 1 . SER 280 280 51639 1 . LEU 281 281 51639 1 . GLU 282 282 51639 1 . HIS 283 283 51639 1 . HIS 284 284 51639 1 . HIS 285 285 51639 1 . HIS 286 286 51639 1 . HIS 287 287 51639 1 . HIS 288 288 51639 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 51639 _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 . 308116 organism . 'Krokinobacter eikastus' 'Dokdonia eikasta' . . Bacteria . Dokdonia eikasta . . . . . . . . . . . . . 51639 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 51639 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli C43 DE3 . plasmid . . pET26b . . . 51639 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51639 _Sample.ID 1 _Sample.Name u13C15N-KR2 _Sample.Type Proteoliposome _Sample.Sub_type . _Sample.Details ; Lipid-to-Protein-Ration: 0.5:1 (w/w), Lipid composition: DMPC:DMPA 9:1 (w/w), Buffer: 50mM Tris pH 8.5, 5mM MgCl2, 2mM Gd-DOTA. ; _Sample.Aggregate_sample_number 1 _Sample.Solvent_system Water _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 'Krokinobacter eikastus rhodopsin 2 (KR2)' '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 20 . . mg . . . . 51639 1 2 DMPC 'natural abundance' . . . . . . 9 . . mg . . . . 51639 1 3 DMPA 'natural abundance' . . . . . . 1 . . mg . . . . 51639 1 4 'TRIS pH 8.5' 'natural abundance' . . . . . . 50 . . mM . . . . 51639 1 5 MgCl2 'natural abundance' . . . . . . 5 . . mM . . . . 51639 1 6 Gd-DOTA 'natural abundance' . . . . . . 2 . . mM . . . . 51639 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 51639 _Sample.ID 2 _Sample.Name u13C15N-FYLIV-KR2 _Sample.Type Proteoliposome _Sample.Sub_type . _Sample.Details ; Lipid-to-Protein-Ration: 0.5:1 (w/w), Lipid composition: DMPC:DMPA 9:1 (w/w), Buffer: 50mM Tris pH 8.5, 5mM MgCl2, 2mM Gd-DOTA. ; _Sample.Aggregate_sample_number 2 _Sample.Solvent_system Water _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 'Krokinobacter eikastus rhodopsin 2 (KR2)' '[U-13C; U-15N]-Phe, Tyr, Leu, Ile, Val' . . 1 $entity_1 . . 20 . . mg . . . . 51639 2 2 DMPC 'natural abundance' . . . . . . 9 . . mg . . . . 51639 2 3 DMPA 'natural abundance' . . . . . . 1 . . mg . . . . 51639 2 4 'TRIS pH 8.5' 'natural abundance' . . . . . . 50 . . mM . . . . 51639 2 5 MgCl2 'natural abundance' . . . . . . 5 . . mM . . . . 51639 2 6 Gd-DOTA 'natural abundance' . . . . . . 2 . . mM . . . . 51639 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 51639 _Sample.ID 3 _Sample.Name u13C15N-revFYLIV-KR2 _Sample.Type Proteoliposome _Sample.Sub_type . _Sample.Details ; Lipid-to-Protein-Ration: 0.5:1 (w/w), Lipid composition: DMPC:DMPA 9:1 (w/w), Buffer: 50mM Tris pH 8.5, 5mM MgCl2, 2mM Gd-DOTA. ; _Sample.Aggregate_sample_number 2 _Sample.Solvent_system Water _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 'Krokinobacter eikastus rhodopsin 2 (KR2)' '[U-13C; U-15N] without Phe,Tyr,Leu; Ile,Val' . . 1 $entity_1 . . 20 . . mg . . . . 51639 3 2 DMPC 'natural abundance' . . . . . . 9 . . mg . . . . 51639 3 3 DMPA 'natural abundance' . . . . . . 1 . . mg . . . . 51639 3 4 'TRIS pH 8.5' 'natural abundance' . . . . . . 50 . . mM . . . . 51639 3 5 MgCl2 'natural abundance' . . . . . . 5 . . mM . . . . 51639 3 6 Gd-DOTA 'natural abundance' . . . . . . 2 . . mM . . . . 51639 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 51639 _Sample_condition_list.ID 1 _Sample_condition_list.Name 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 8.5 . pH 51639 1 pressure 1 . atm 51639 1 'temperature controller setting' 270 . K 51639 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51639 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.6.x _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51639 1 processing . 51639 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51639 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version 2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51639 2 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 51639 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III 850 MHz WB' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 51639 _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 '3D NCOCX' no . no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51639 1 2 '3D NCACX' no . no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51639 1 3 '3D CONCA' no . no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51639 1 4 '3D NCOCX' no . no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51639 1 5 '3D NCACX' no . no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51639 1 6 '3D CONCA' no . no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51639 1 7 '3D NCOCX' no . no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51639 1 8 '3D NCACX' no . no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51639 1 9 '3D CONCA' no . no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51639 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 51639 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Referencing _Chem_shift_reference.Details ; External referencing via 1-13C chemical shift of Alanine, which is 179.85 ppm with respect to DSS referencing. 15N chemical shifts indirectly referenced from 13C chemical shifts. ; 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 'separate tube (no insert) similar to the experimental sample tube' . . . . 51639 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' . . . . 51639 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 51639 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'KR2 Shift List for BMRB' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D NCOCX' . . . 51639 1 2 '3D NCACX' . . . 51639 1 3 '3D CONCA' . . . 51639 1 4 '3D NCOCX' . . . 51639 1 5 '3D NCACX' . . . 51639 1 6 '3D CONCA' . . . 51639 1 7 '3D NCOCX' . . . 51639 1 8 '3D NCACX' . . . 51639 1 9 '3D CONCA' . . . 51639 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 . . 51639 1 2 $software_2 . . 51639 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 2 2 THR C C 13 174.890 0.000 . 1 . . . . . 2 THR C . 51639 1 2 . 1 . 1 2 2 THR CA C 13 65.210 0.000 . 1 . . . . . 2 THR CA . 51639 1 3 . 1 . 1 2 2 THR CB C 13 68.210 0.000 . 1 . . . . . 2 THR CB . 51639 1 4 . 1 . 1 2 2 THR CG2 C 13 19.630 0.000 . 1 . . . . . 2 THR CG2 . 51639 1 5 . 1 . 1 2 2 THR N N 15 116.250 0.000 . 1 . . . . . 2 THR N . 51639 1 6 . 1 . 1 13 13 PHE C C 13 179.744 0.000 . 1 . . . . . 13 PHE C . 51639 1 7 . 1 . 1 14 14 ILE C C 13 178.490 0.049 . 1 . . . . . 14 ILE C . 51639 1 8 . 1 . 1 14 14 ILE CA C 13 61.311 0.136 . 1 . . . . . 14 ILE CA . 51639 1 9 . 1 . 1 14 14 ILE CB C 13 34.588 0.069 . 1 . . . . . 14 ILE CB . 51639 1 10 . 1 . 1 14 14 ILE CG1 C 13 26.721 0.058 . 1 . . . . . 14 ILE CG1 . 51639 1 11 . 1 . 1 14 14 ILE CG2 C 13 17.477 0.089 . 1 . . . . . 14 ILE CG2 . 51639 1 12 . 1 . 1 14 14 ILE N N 15 121.169 0.099 . 1 . . . . . 14 ILE N . 51639 1 13 . 1 . 1 15 15 GLY C C 13 173.521 0.147 . 1 . . . . . 15 GLY C . 51639 1 14 . 1 . 1 15 15 GLY CA C 13 47.892 0.032 . 1 . . . . . 15 GLY CA . 51639 1 15 . 1 . 1 15 15 GLY N N 15 106.100 0.337 . 1 . . . . . 15 GLY N . 51639 1 16 . 1 . 1 16 16 ALA C C 13 178.271 0.127 . 1 . . . . . 16 ALA C . 51639 1 17 . 1 . 1 16 16 ALA CA C 13 52.878 0.077 . 1 . . . . . 16 ALA CA . 51639 1 18 . 1 . 1 16 16 ALA CB C 13 20.277 0.013 . 1 . . . . . 16 ALA CB . 51639 1 19 . 1 . 1 16 16 ALA N N 15 120.798 0.071 . 1 . . . . . 16 ALA N . 51639 1 20 . 1 . 1 17 17 THR C C 13 174.478 0.047 . 1 . . . . . 17 THR C . 51639 1 21 . 1 . 1 17 17 THR CA C 13 61.419 0.052 . 1 . . . . . 17 THR CA . 51639 1 22 . 1 . 1 17 17 THR CB C 13 69.973 0.057 . 1 . . . . . 17 THR CB . 51639 1 23 . 1 . 1 17 17 THR CG2 C 13 21.187 0.049 . 1 . . . . . 17 THR CG2 . 51639 1 24 . 1 . 1 17 17 THR N N 15 108.156 0.050 . 1 . . . . . 17 THR N . 51639 1 25 . 1 . 1 18 18 GLU C C 13 178.305 0.070 . 1 . . . . . 18 GLU C . 51639 1 26 . 1 . 1 18 18 GLU CA C 13 56.657 0.103 . 1 . . . . . 18 GLU CA . 51639 1 27 . 1 . 1 18 18 GLU CB C 13 31.764 0.048 . 1 . . . . . 18 GLU CB . 51639 1 28 . 1 . 1 18 18 GLU CG C 13 35.839 0.037 . 1 . . . . . 18 GLU CG . 51639 1 29 . 1 . 1 18 18 GLU N N 15 121.346 0.106 . 1 . . . . . 18 GLU N . 51639 1 30 . 1 . 1 19 19 GLY C C 13 170.963 0.065 . 1 . . . . . 19 GLY C . 51639 1 31 . 1 . 1 19 19 GLY CA C 13 43.779 0.055 . 1 . . . . . 19 GLY CA . 51639 1 32 . 1 . 1 19 19 GLY N N 15 107.709 0.041 . 1 . . . . . 19 GLY N . 51639 1 33 . 1 . 1 20 20 PHE C C 13 176.393 0.086 . 1 . . . . . 20 PHE C . 51639 1 34 . 1 . 1 20 20 PHE CA C 13 56.235 0.070 . 1 . . . . . 20 PHE CA . 51639 1 35 . 1 . 1 20 20 PHE CB C 13 42.190 0.070 . 1 . . . . . 20 PHE CB . 51639 1 36 . 1 . 1 20 20 PHE CG C 13 138.190 0.000 . 1 . . . . . 20 PHE CG . 51639 1 37 . 1 . 1 20 20 PHE CD1 C 13 131.027 0.000 . 1 . . . . . 20 PHE CD1 . 51639 1 38 . 1 . 1 20 20 PHE CD2 C 13 131.027 0.000 . 1 . . . . . 20 PHE CD2 . 51639 1 39 . 1 . 1 20 20 PHE CE1 C 13 130.445 0.000 . 1 . . . . . 20 PHE CE1 . 51639 1 40 . 1 . 1 20 20 PHE CE2 C 13 130.445 0.000 . 1 . . . . . 20 PHE CE2 . 51639 1 41 . 1 . 1 20 20 PHE N N 15 115.711 0.140 . 1 . . . . . 20 PHE N . 51639 1 42 . 1 . 1 21 21 SER C C 13 174.190 0.040 . 1 . . . . . 21 SER C . 51639 1 43 . 1 . 1 21 21 SER CA C 13 58.155 0.094 . 1 . . . . . 21 SER CA . 51639 1 44 . 1 . 1 21 21 SER CB C 13 64.210 0.078 . 1 . . . . . 21 SER CB . 51639 1 45 . 1 . 1 21 21 SER N N 15 119.769 0.080 . 1 . . . . . 21 SER N . 51639 1 46 . 1 . 1 22 22 GLU C C 13 178.396 0.000 . 1 . . . . . 22 GLU C . 51639 1 47 . 1 . 1 22 22 GLU CA C 13 60.290 0.108 . 1 . . . . . 22 GLU CA . 51639 1 48 . 1 . 1 22 22 GLU CB C 13 27.587 0.000 . 1 . . . . . 22 GLU CB . 51639 1 49 . 1 . 1 22 22 GLU N N 15 120.638 0.172 . 1 . . . . . 22 GLU N . 51639 1 50 . 1 . 1 23 23 ILE N N 15 119.370 0.000 . 1 . . . . . 23 ILE N . 51639 1 51 . 1 . 1 28 28 THR C C 13 174.736 0.038 . 1 . . . . . 28 THR C . 51639 1 52 . 1 . 1 28 28 THR CA C 13 66.950 0.085 . 1 . . . . . 28 THR CA . 51639 1 53 . 1 . 1 28 28 THR CB C 13 67.520 0.000 . 1 . . . . . 28 THR CB . 51639 1 54 . 1 . 1 28 28 THR CG2 C 13 18.975 0.022 . 1 . . . . . 28 THR CG2 . 51639 1 55 . 1 . 1 28 28 THR N N 15 113.490 0.024 . 1 . . . . . 28 THR N . 51639 1 56 . 1 . 1 29 29 SER C C 13 177.238 0.042 . 1 . . . . . 29 SER C . 51639 1 57 . 1 . 1 29 29 SER CA C 13 61.473 0.028 . 1 . . . . . 29 SER CA . 51639 1 58 . 1 . 1 29 29 SER CB C 13 62.740 0.000 . 1 . . . . . 29 SER CB . 51639 1 59 . 1 . 1 29 29 SER N N 15 113.758 0.168 . 1 . . . . . 29 SER N . 51639 1 60 . 1 . 1 30 30 HIS CA C 13 57.070 0.000 . 1 . . . . . 30 HIS CA . 51639 1 61 . 1 . 1 30 30 HIS N N 15 122.420 0.000 . 1 . . . . . 30 HIS N . 51639 1 62 . 1 . 1 31 31 ILE C C 13 178.976 0.000 . 1 . . . . . 31 ILE C . 51639 1 63 . 1 . 1 31 31 ILE CA C 13 66.398 0.041 . 1 . . . . . 31 ILE CA . 51639 1 64 . 1 . 1 31 31 ILE N N 15 118.641 0.011 . 1 . . . . . 31 ILE N . 51639 1 65 . 1 . 1 32 32 LEU C C 13 178.060 0.045 . 1 . . . . . 32 LEU C . 51639 1 66 . 1 . 1 32 32 LEU CA C 13 57.390 0.000 . 1 . . . . . 32 LEU CA . 51639 1 67 . 1 . 1 32 32 LEU CB C 13 39.814 0.000 . 1 . . . . . 32 LEU CB . 51639 1 68 . 1 . 1 32 32 LEU CD1 C 13 25.292 0.000 . 1 . . . . . 32 LEU CD1 . 51639 1 69 . 1 . 1 32 32 LEU N N 15 118.215 0.115 . 1 . . . . . 32 LEU N . 51639 1 70 . 1 . 1 33 33 THR C C 13 175.151 0.046 . 1 . . . . . 33 THR C . 51639 1 71 . 1 . 1 33 33 THR CA C 13 67.667 0.022 . 1 . . . . . 33 THR CA . 51639 1 72 . 1 . 1 33 33 THR CG2 C 13 21.956 0.052 . 1 . . . . . 33 THR CG2 . 51639 1 73 . 1 . 1 33 33 THR N N 15 114.329 0.187 . 1 . . . . . 33 THR N . 51639 1 74 . 1 . 1 34 34 LEU C C 13 178.220 0.044 . 1 . . . . . 34 LEU C . 51639 1 75 . 1 . 1 34 34 LEU CA C 13 57.720 0.015 . 1 . . . . . 34 LEU CA . 51639 1 76 . 1 . 1 34 34 LEU CB C 13 40.651 0.000 . 1 . . . . . 34 LEU CB . 51639 1 77 . 1 . 1 34 34 LEU CG C 13 27.469 0.000 . 1 . . . . . 34 LEU CG . 51639 1 78 . 1 . 1 34 34 LEU CD1 C 13 26.118 0.000 . 1 . . . . . 34 LEU CD1 . 51639 1 79 . 1 . 1 34 34 LEU CD2 C 13 22.764 0.000 . 1 . . . . . 34 LEU CD2 . 51639 1 80 . 1 . 1 34 34 LEU N N 15 122.569 0.122 . 1 . . . . . 34 LEU N . 51639 1 81 . 1 . 1 35 35 GLY C C 13 174.690 0.070 . 1 . . . . . 35 GLY C . 51639 1 82 . 1 . 1 35 35 GLY CA C 13 48.390 0.080 . 1 . . . . . 35 GLY CA . 51639 1 83 . 1 . 1 35 35 GLY N N 15 102.226 0.107 . 1 . . . . . 35 GLY N . 51639 1 84 . 1 . 1 36 36 TYR C C 13 176.040 0.000 . 1 . . . . . 36 TYR C . 51639 1 85 . 1 . 1 36 36 TYR CA C 13 60.688 0.080 . 1 . . . . . 36 TYR CA . 51639 1 86 . 1 . 1 36 36 TYR CB C 13 39.160 0.000 . 1 . . . . . 36 TYR CB . 51639 1 87 . 1 . 1 36 36 TYR N N 15 117.432 0.032 . 1 . . . . . 36 TYR N . 51639 1 88 . 1 . 1 37 37 ALA C C 13 179.127 0.067 . 1 . . . . . 37 ALA C . 51639 1 89 . 1 . 1 37 37 ALA CA C 13 57.687 0.030 . 1 . . . . . 37 ALA CA . 51639 1 90 . 1 . 1 37 37 ALA CB C 13 18.098 0.000 . 1 . . . . . 37 ALA CB . 51639 1 91 . 1 . 1 37 37 ALA N N 15 118.901 0.000 . 1 . . . . . 37 ALA N . 51639 1 92 . 1 . 1 38 38 VAL C C 13 177.641 0.048 . 1 . . . . . 38 VAL C . 51639 1 93 . 1 . 1 38 38 VAL CA C 13 66.596 0.053 . 1 . . . . . 38 VAL CA . 51639 1 94 . 1 . 1 38 38 VAL CB C 13 30.978 0.030 . 1 . . . . . 38 VAL CB . 51639 1 95 . 1 . 1 38 38 VAL CG1 C 13 23.675 0.032 . 1 . . . . . 38 VAL CG1 . 51639 1 96 . 1 . 1 38 38 VAL CG2 C 13 23.020 0.000 . 1 . . . . . 38 VAL CG2 . 51639 1 97 . 1 . 1 38 38 VAL N N 15 116.735 0.159 . 1 . . . . . 38 VAL N . 51639 1 98 . 1 . 1 39 39 MET C C 13 178.687 0.020 . 1 . . . . . 39 MET C . 51639 1 99 . 1 . 1 39 39 MET CA C 13 56.153 0.044 . 1 . . . . . 39 MET CA . 51639 1 100 . 1 . 1 39 39 MET CB C 13 30.721 0.000 . 1 . . . . . 39 MET CB . 51639 1 101 . 1 . 1 39 39 MET CG C 13 33.761 0.000 . 1 . . . . . 39 MET CG . 51639 1 102 . 1 . 1 39 39 MET N N 15 114.458 0.081 . 1 . . . . . 39 MET N . 51639 1 103 . 1 . 1 40 40 LEU C C 13 177.979 0.013 . 1 . . . . . 40 LEU C . 51639 1 104 . 1 . 1 40 40 LEU CA C 13 56.780 0.063 . 1 . . . . . 40 LEU CA . 51639 1 105 . 1 . 1 40 40 LEU CB C 13 40.030 0.000 . 1 . . . . . 40 LEU CB . 51639 1 106 . 1 . 1 40 40 LEU CG C 13 26.570 0.000 . 1 . . . . . 40 LEU CG . 51639 1 107 . 1 . 1 40 40 LEU CD1 C 13 25.540 0.000 . 1 . . . . . 40 LEU CD1 . 51639 1 108 . 1 . 1 40 40 LEU CD2 C 13 22.530 0.000 . 1 . . . . . 40 LEU CD2 . 51639 1 109 . 1 . 1 41 41 ALA C C 13 179.612 0.059 . 1 . . . . . 41 ALA C . 51639 1 110 . 1 . 1 41 41 ALA CA C 13 55.399 0.064 . 1 . . . . . 41 ALA CA . 51639 1 111 . 1 . 1 41 41 ALA CB C 13 17.952 0.045 . 1 . . . . . 41 ALA CB . 51639 1 112 . 1 . 1 41 41 ALA N N 15 121.277 0.127 . 1 . . . . . 41 ALA N . 51639 1 113 . 1 . 1 42 42 GLY C C 13 174.117 0.015 . 1 . . . . . 42 GLY C . 51639 1 114 . 1 . 1 42 42 GLY CA C 13 46.539 0.039 . 1 . . . . . 42 GLY CA . 51639 1 115 . 1 . 1 42 42 GLY N N 15 105.194 0.063 . 1 . . . . . 42 GLY N . 51639 1 116 . 1 . 1 43 43 LEU CA C 13 59.540 0.073 . 1 . . . . . 43 LEU CA . 51639 1 117 . 1 . 1 43 43 LEU CB C 13 41.094 0.033 . 1 . . . . . 43 LEU CB . 51639 1 118 . 1 . 1 43 43 LEU CG C 13 27.050 0.083 . 1 . . . . . 43 LEU CG . 51639 1 119 . 1 . 1 43 43 LEU CD1 C 13 25.313 0.027 . 1 . . . . . 43 LEU CD1 . 51639 1 120 . 1 . 1 43 43 LEU N N 15 122.541 0.065 . 1 . . . . . 43 LEU N . 51639 1 121 . 1 . 1 44 44 LEU C C 13 177.490 0.000 . 1 . . . . . 44 LEU C . 51639 1 122 . 1 . 1 44 44 LEU CA C 13 57.750 0.000 . 1 . . . . . 44 LEU CA . 51639 1 123 . 1 . 1 44 44 LEU CB C 13 40.770 0.000 . 1 . . . . . 44 LEU CB . 51639 1 124 . 1 . 1 44 44 LEU CG C 13 26.690 0.000 . 1 . . . . . 44 LEU CG . 51639 1 125 . 1 . 1 44 44 LEU N N 15 116.280 0.000 . 1 . . . . . 44 LEU N . 51639 1 126 . 1 . 1 45 45 TYR C C 13 178.195 0.025 . 1 . . . . . 45 TYR C . 51639 1 127 . 1 . 1 45 45 TYR CA C 13 63.107 0.000 . 1 . . . . . 45 TYR CA . 51639 1 128 . 1 . 1 45 45 TYR CB C 13 37.910 0.000 . 1 . . . . . 45 TYR CB . 51639 1 129 . 1 . 1 46 46 PHE C C 13 178.340 0.087 . 1 . . . . . 46 PHE C . 51639 1 130 . 1 . 1 46 46 PHE CA C 13 62.520 0.000 . 1 . . . . . 46 PHE CA . 51639 1 131 . 1 . 1 46 46 PHE CB C 13 38.493 0.171 . 1 . . . . . 46 PHE CB . 51639 1 132 . 1 . 1 46 46 PHE CG C 13 138.879 0.000 . 1 . . . . . 46 PHE CG . 51639 1 133 . 1 . 1 46 46 PHE CD1 C 13 131.600 0.000 . 1 . . . . . 46 PHE CD . 51639 1 134 . 1 . 1 46 46 PHE CD2 C 13 131.600 0.000 . 1 . . . . . 46 PHE CD . 51639 1 135 . 1 . 1 46 46 PHE CE1 C 13 130.720 0.000 . 1 . . . . . 46 PHE CE1 . 51639 1 136 . 1 . 1 46 46 PHE CE2 C 13 130.080 0.000 . 1 . . . . . 46 PHE CE2 . 51639 1 137 . 1 . 1 46 46 PHE CZ C 13 129.040 0.000 . 1 . . . . . 46 PHE CZ . 51639 1 138 . 1 . 1 46 46 PHE N N 15 117.998 0.155 . 1 . . . . . 46 PHE N . 51639 1 139 . 1 . 1 47 47 ILE C C 13 177.947 0.000 . 1 . . . . . 47 ILE C . 51639 1 140 . 1 . 1 47 47 ILE CA C 13 65.071 0.066 . 1 . . . . . 47 ILE CA . 51639 1 141 . 1 . 1 47 47 ILE CG1 C 13 28.777 0.011 . 1 . . . . . 47 ILE CG1 . 51639 1 142 . 1 . 1 47 47 ILE CG2 C 13 17.427 0.000 . 1 . . . . . 47 ILE CG2 . 51639 1 143 . 1 . 1 47 47 ILE CD1 C 13 14.430 0.000 . 1 . . . . . 47 ILE CD1 . 51639 1 144 . 1 . 1 47 47 ILE N N 15 116.461 0.231 . 1 . . . . . 47 ILE N . 51639 1 145 . 1 . 1 48 48 LEU C C 13 178.252 0.074 . 1 . . . . . 48 LEU C . 51639 1 146 . 1 . 1 48 48 LEU CA C 13 56.867 0.000 . 1 . . . . . 48 LEU CA . 51639 1 147 . 1 . 1 48 48 LEU CB C 13 41.607 0.000 . 1 . . . . . 48 LEU CB . 51639 1 148 . 1 . 1 48 48 LEU CG C 13 26.645 0.000 . 1 . . . . . 48 LEU CG . 51639 1 149 . 1 . 1 48 48 LEU CD1 C 13 21.784 0.000 . 1 . . . . . 48 LEU CD1 . 51639 1 150 . 1 . 1 49 49 THR C C 13 176.237 0.029 . 1 . . . . . 49 THR C . 51639 1 151 . 1 . 1 49 49 THR CA C 13 61.419 0.053 . 1 . . . . . 49 THR CA . 51639 1 152 . 1 . 1 49 49 THR CB C 13 69.486 0.054 . 1 . . . . . 49 THR CB . 51639 1 153 . 1 . 1 49 49 THR CG2 C 13 21.616 0.054 . 1 . . . . . 49 THR CG2 . 51639 1 154 . 1 . 1 49 49 THR N N 15 104.685 0.119 . 1 . . . . . 49 THR N . 51639 1 155 . 1 . 1 50 50 ILE C C 13 175.068 0.056 . 1 . . . . . 50 ILE C . 51639 1 156 . 1 . 1 50 50 ILE CA C 13 66.969 0.061 . 1 . . . . . 50 ILE CA . 51639 1 157 . 1 . 1 50 50 ILE CB C 13 38.535 0.066 . 1 . . . . . 50 ILE CB . 51639 1 158 . 1 . 1 50 50 ILE CG1 C 13 31.036 0.080 . 1 . . . . . 50 ILE CG1 . 51639 1 159 . 1 . 1 50 50 ILE CG2 C 13 17.367 0.029 . 1 . . . . . 50 ILE CG2 . 51639 1 160 . 1 . 1 50 50 ILE CD1 C 13 15.522 0.089 . 1 . . . . . 50 ILE CD1 . 51639 1 161 . 1 . 1 50 50 ILE N N 15 124.998 0.086 . 1 . . . . . 50 ILE N . 51639 1 162 . 1 . 1 51 51 LYS C C 13 176.820 0.110 . 1 . . . . . 51 LYS C . 51639 1 163 . 1 . 1 51 51 LYS CA C 13 56.319 0.053 . 1 . . . . . 51 LYS CA . 51639 1 164 . 1 . 1 51 51 LYS CB C 13 30.733 0.090 . 1 . . . . . 51 LYS CB . 51639 1 165 . 1 . 1 51 51 LYS CG C 13 25.154 0.027 . 1 . . . . . 51 LYS CG . 51639 1 166 . 1 . 1 51 51 LYS N N 15 110.898 0.127 . 1 . . . . . 51 LYS N . 51639 1 167 . 1 . 1 52 52 ASN C C 13 174.301 0.068 . 1 . . . . . 52 ASN C . 51639 1 168 . 1 . 1 52 52 ASN CA C 13 53.545 0.057 . 1 . . . . . 52 ASN CA . 51639 1 169 . 1 . 1 52 52 ASN CB C 13 37.922 0.077 . 1 . . . . . 52 ASN CB . 51639 1 170 . 1 . 1 52 52 ASN CG C 13 176.737 0.006 . 1 . . . . . 52 ASN CG . 51639 1 171 . 1 . 1 52 52 ASN N N 15 117.764 0.077 . 1 . . . . . 52 ASN N . 51639 1 172 . 1 . 1 53 53 VAL C C 13 175.179 0.057 . 1 . . . . . 53 VAL C . 51639 1 173 . 1 . 1 53 53 VAL CA C 13 58.213 0.091 . 1 . . . . . 53 VAL CA . 51639 1 174 . 1 . 1 53 53 VAL CB C 13 36.041 0.097 . 1 . . . . . 53 VAL CB . 51639 1 175 . 1 . 1 53 53 VAL CG1 C 13 22.788 0.055 . 1 . . . . . 53 VAL CG1 . 51639 1 176 . 1 . 1 53 53 VAL CG2 C 13 18.122 0.027 . 1 . . . . . 53 VAL CG2 . 51639 1 177 . 1 . 1 53 53 VAL N N 15 109.270 0.000 . 1 . . . . . 53 VAL N . 51639 1 178 . 1 . 1 54 54 ASP CA C 13 55.123 0.000 . 1 . . . . . 54 ASP CA . 51639 1 179 . 1 . 1 54 54 ASP N N 15 120.883 0.031 . 1 . . . . . 54 ASP N . 51639 1 180 . 1 . 1 55 55 LYS C C 13 178.370 0.000 . 1 . . . . . 55 LYS C . 51639 1 181 . 1 . 1 56 56 LYS N N 15 115.820 0.000 . 1 . . . . . 56 LYS N . 51639 1 182 . 1 . 1 57 57 PHE C C 13 178.210 0.000 . 1 . . . . . 57 PHE C . 51639 1 183 . 1 . 1 57 57 PHE CA C 13 62.430 0.000 . 1 . . . . . 57 PHE CA . 51639 1 184 . 1 . 1 57 57 PHE CB C 13 39.203 0.000 . 1 . . . . . 57 PHE CB . 51639 1 185 . 1 . 1 57 57 PHE N N 15 114.100 0.000 . 1 . . . . . 57 PHE N . 51639 1 186 . 1 . 1 58 58 GLN C C 13 177.075 0.082 . 1 . . . . . 58 GLN C . 51639 1 187 . 1 . 1 58 58 GLN CA C 13 59.411 0.028 . 1 . . . . . 58 GLN CA . 51639 1 188 . 1 . 1 58 58 GLN CB C 13 27.122 0.000 . 1 . . . . . 58 GLN CB . 51639 1 189 . 1 . 1 58 58 GLN CG C 13 35.277 0.000 . 1 . . . . . 58 GLN CG . 51639 1 190 . 1 . 1 58 58 GLN CD C 13 179.929 0.000 . 1 . . . . . 58 GLN CD . 51639 1 191 . 1 . 1 58 58 GLN N N 15 120.364 0.235 . 1 . . . . . 58 GLN N . 51639 1 192 . 1 . 1 59 59 MET C C 13 177.816 0.066 . 1 . . . . . 59 MET C . 51639 1 193 . 1 . 1 59 59 MET CA C 13 55.718 0.094 . 1 . . . . . 59 MET CA . 51639 1 194 . 1 . 1 59 59 MET CB C 13 30.879 0.013 . 1 . . . . . 59 MET CB . 51639 1 195 . 1 . 1 59 59 MET N N 15 116.190 0.000 . 1 . . . . . 59 MET N . 51639 1 196 . 1 . 1 60 60 SER C C 13 176.473 0.060 . 1 . . . . . 60 SER C . 51639 1 197 . 1 . 1 60 60 SER CA C 13 62.715 0.081 . 1 . . . . . 60 SER CA . 51639 1 198 . 1 . 1 60 60 SER N N 15 110.422 0.063 . 1 . . . . . 60 SER N . 51639 1 199 . 1 . 1 61 61 ASN C C 13 175.716 0.000 . 1 . . . . . 61 ASN C . 51639 1 200 . 1 . 1 61 61 ASN CA C 13 57.823 0.029 . 1 . . . . . 61 ASN CA . 51639 1 201 . 1 . 1 61 61 ASN CB C 13 39.190 0.000 . 1 . . . . . 61 ASN CB . 51639 1 202 . 1 . 1 61 61 ASN CG C 13 177.137 0.000 . 1 . . . . . 61 ASN CG . 51639 1 203 . 1 . 1 61 61 ASN N N 15 117.506 0.031 . 1 . . . . . 61 ASN N . 51639 1 204 . 1 . 1 64 64 SER C C 13 175.312 0.038 . 1 . . . . . 64 SER C . 51639 1 205 . 1 . 1 64 64 SER CA C 13 61.930 0.000 . 1 . . . . . 64 SER CA . 51639 1 206 . 1 . 1 64 64 SER CB C 13 62.540 0.000 . 1 . . . . . 64 SER CB . 51639 1 207 . 1 . 1 64 64 SER N N 15 116.819 0.168 . 1 . . . . . 64 SER N . 51639 1 208 . 1 . 1 65 65 ALA C C 13 177.854 0.070 . 1 . . . . . 65 ALA C . 51639 1 209 . 1 . 1 65 65 ALA CA C 13 55.720 0.165 . 1 . . . . . 65 ALA CA . 51639 1 210 . 1 . 1 65 65 ALA CB C 13 17.423 0.000 . 1 . . . . . 65 ALA CB . 51639 1 211 . 1 . 1 65 65 ALA N N 15 123.155 0.131 . 1 . . . . . 65 ALA N . 51639 1 212 . 1 . 1 66 66 VAL CA C 13 63.189 0.000 . 1 . . . . . 66 VAL CA . 51639 1 213 . 1 . 1 66 66 VAL N N 15 118.574 0.000 . 1 . . . . . 66 VAL N . 51639 1 214 . 1 . 1 68 68 MET C C 13 178.890 0.000 . 1 . . . . . 68 MET C . 51639 1 215 . 1 . 1 68 68 MET CA C 13 57.180 0.000 . 1 . . . . . 68 MET CA . 51639 1 216 . 1 . 1 68 68 MET CB C 13 34.874 0.000 . 1 . . . . . 68 MET CB . 51639 1 217 . 1 . 1 68 68 MET CG C 13 33.633 0.000 . 1 . . . . . 68 MET CG . 51639 1 218 . 1 . 1 68 68 MET N N 15 118.086 0.040 . 1 . . . . . 68 MET N . 51639 1 219 . 1 . 1 69 69 VAL C C 13 176.659 0.044 . 1 . . . . . 69 VAL C . 51639 1 220 . 1 . 1 69 69 VAL CA C 13 67.241 0.030 . 1 . . . . . 69 VAL CA . 51639 1 221 . 1 . 1 69 69 VAL CG2 C 13 21.309 0.000 . 1 . . . . . 69 VAL CG2 . 51639 1 222 . 1 . 1 69 69 VAL N N 15 118.189 0.101 . 1 . . . . . 69 VAL N . 51639 1 223 . 1 . 1 70 70 SER C C 13 176.911 0.000 . 1 . . . . . 70 SER C . 51639 1 224 . 1 . 1 70 70 SER CA C 13 61.016 0.117 . 1 . . . . . 70 SER CA . 51639 1 225 . 1 . 1 70 70 SER CB C 13 62.890 0.000 . 1 . . . . . 70 SER CB . 51639 1 226 . 1 . 1 70 70 SER N N 15 112.644 0.171 . 1 . . . . . 70 SER N . 51639 1 227 . 1 . 1 71 71 ALA CA C 13 54.977 0.002 . 1 . . . . . 71 ALA CA . 51639 1 228 . 1 . 1 71 71 ALA CB C 13 17.015 0.000 . 1 . . . . . 71 ALA CB . 51639 1 229 . 1 . 1 72 72 PHE C C 13 179.080 0.000 . 1 . . . . . 72 PHE C . 51639 1 230 . 1 . 1 72 72 PHE CA C 13 60.110 0.000 . 1 . . . . . 72 PHE CA . 51639 1 231 . 1 . 1 72 72 PHE CB C 13 39.940 0.000 . 1 . . . . . 72 PHE CB . 51639 1 232 . 1 . 1 72 72 PHE N N 15 118.510 0.000 . 1 . . . . . 72 PHE N . 51639 1 233 . 1 . 1 73 73 LEU C C 13 177.790 0.000 . 1 . . . . . 73 LEU C . 51639 1 234 . 1 . 1 73 73 LEU CA C 13 57.460 0.000 . 1 . . . . . 73 LEU CA . 51639 1 235 . 1 . 1 73 73 LEU CB C 13 41.660 0.000 . 1 . . . . . 73 LEU CB . 51639 1 236 . 1 . 1 73 73 LEU CG C 13 26.320 0.000 . 1 . . . . . 73 LEU CG . 51639 1 237 . 1 . 1 73 73 LEU CD2 C 13 22.080 0.000 . 1 . . . . . 73 LEU CD2 . 51639 1 238 . 1 . 1 73 73 LEU N N 15 120.120 0.000 . 1 . . . . . 73 LEU N . 51639 1 239 . 1 . 1 74 74 LEU C C 13 173.840 0.000 . 1 . . . . . 74 LEU C . 51639 1 240 . 1 . 1 74 74 LEU CA C 13 57.370 0.000 . 1 . . . . . 74 LEU CA . 51639 1 241 . 1 . 1 74 74 LEU CD2 C 13 23.170 0.000 . 1 . . . . . 74 LEU CD2 . 51639 1 242 . 1 . 1 74 74 LEU N N 15 120.060 0.000 . 1 . . . . . 74 LEU N . 51639 1 243 . 1 . 1 75 75 LEU C C 13 176.790 0.000 . 1 . . . . . 75 LEU C . 51639 1 244 . 1 . 1 75 75 LEU CA C 13 59.390 0.000 . 1 . . . . . 75 LEU CA . 51639 1 245 . 1 . 1 75 75 LEU N N 15 120.370 0.000 . 1 . . . . . 75 LEU N . 51639 1 246 . 1 . 1 76 76 TYR C C 13 177.454 0.079 . 1 . . . . . 76 TYR C . 51639 1 247 . 1 . 1 76 76 TYR CA C 13 60.603 0.000 . 1 . . . . . 76 TYR CA . 51639 1 248 . 1 . 1 76 76 TYR CB C 13 36.508 0.000 . 1 . . . . . 76 TYR CB . 51639 1 249 . 1 . 1 77 77 ALA C C 13 178.988 0.077 . 1 . . . . . 77 ALA C . 51639 1 250 . 1 . 1 77 77 ALA CA C 13 55.493 0.075 . 1 . . . . . 77 ALA CA . 51639 1 251 . 1 . 1 77 77 ALA CB C 13 17.952 0.000 . 1 . . . . . 77 ALA CB . 51639 1 252 . 1 . 1 77 77 ALA N N 15 128.154 0.087 . 1 . . . . . 77 ALA N . 51639 1 253 . 1 . 1 78 78 GLN C C 13 179.783 0.032 . 1 . . . . . 78 GLN C . 51639 1 254 . 1 . 1 78 78 GLN CA C 13 56.206 0.050 . 1 . . . . . 78 GLN CA . 51639 1 255 . 1 . 1 78 78 GLN CB C 13 28.310 0.043 . 1 . . . . . 78 GLN CB . 51639 1 256 . 1 . 1 78 78 GLN CG C 13 32.304 0.026 . 1 . . . . . 78 GLN CG . 51639 1 257 . 1 . 1 78 78 GLN N N 15 113.962 0.166 . 1 . . . . . 78 GLN N . 51639 1 258 . 1 . 1 81 81 ASN C C 13 178.069 0.000 . 1 . . . . . 81 ASN C . 51639 1 259 . 1 . 1 81 81 ASN CA C 13 55.210 0.015 . 1 . . . . . 81 ASN CA . 51639 1 260 . 1 . 1 81 81 ASN N N 15 118.952 0.043 . 1 . . . . . 81 ASN N . 51639 1 261 . 1 . 1 82 82 TRP C C 13 176.417 0.083 . 1 . . . . . 82 TRP C . 51639 1 262 . 1 . 1 82 82 TRP CA C 13 61.360 0.000 . 1 . . . . . 82 TRP CA . 51639 1 263 . 1 . 1 82 82 TRP CG C 13 110.410 0.000 . 1 . . . . . 82 TRP CG . 51639 1 264 . 1 . 1 82 82 TRP N N 15 122.897 0.113 . 1 . . . . . 82 TRP N . 51639 1 265 . 1 . 1 83 83 THR C C 13 177.807 0.000 . 1 . . . . . 83 THR C . 51639 1 266 . 1 . 1 83 83 THR CA C 13 64.219 0.084 . 1 . . . . . 83 THR CA . 51639 1 267 . 1 . 1 83 83 THR CB C 13 69.005 0.077 . 1 . . . . . 83 THR CB . 51639 1 268 . 1 . 1 83 83 THR CG2 C 13 22.442 0.000 . 1 . . . . . 83 THR CG2 . 51639 1 269 . 1 . 1 83 83 THR N N 15 105.017 0.058 . 1 . . . . . 83 THR N . 51639 1 270 . 1 . 1 86 86 PHE C C 13 176.720 0.000 . 1 . . . . . 86 PHE C . 51639 1 271 . 1 . 1 86 86 PHE CA C 13 59.980 0.000 . 1 . . . . . 86 PHE CA . 51639 1 272 . 1 . 1 86 86 PHE CB C 13 37.170 0.000 . 1 . . . . . 86 PHE CB . 51639 1 273 . 1 . 1 86 86 PHE N N 15 117.020 0.000 . 1 . . . . . 86 PHE N . 51639 1 274 . 1 . 1 87 87 THR C C 13 175.153 0.000 . 1 . . . . . 87 THR C . 51639 1 275 . 1 . 1 87 87 THR CA C 13 67.815 0.000 . 1 . . . . . 87 THR CA . 51639 1 276 . 1 . 1 87 87 THR CB C 13 68.350 0.000 . 1 . . . . . 87 THR CB . 51639 1 277 . 1 . 1 87 87 THR CG2 C 13 20.050 0.000 . 1 . . . . . 87 THR CG2 . 51639 1 278 . 1 . 1 87 87 THR N N 15 115.210 0.000 . 1 . . . . . 87 THR N . 51639 1 279 . 1 . 1 88 88 PHE C C 13 173.648 0.067 . 1 . . . . . 88 PHE C . 51639 1 280 . 1 . 1 88 88 PHE CA C 13 59.735 0.057 . 1 . . . . . 88 PHE CA . 51639 1 281 . 1 . 1 88 88 PHE CB C 13 39.173 0.009 . 1 . . . . . 88 PHE CB . 51639 1 282 . 1 . 1 88 88 PHE N N 15 131.325 0.279 . 1 . . . . . 88 PHE N . 51639 1 283 . 1 . 1 89 89 ASN C C 13 174.768 0.060 . 1 . . . . . 89 ASN C . 51639 1 284 . 1 . 1 89 89 ASN CA C 13 51.568 0.082 . 1 . . . . . 89 ASN CA . 51639 1 285 . 1 . 1 89 89 ASN CB C 13 39.232 0.039 . 1 . . . . . 89 ASN CB . 51639 1 286 . 1 . 1 89 89 ASN CG C 13 176.139 0.022 . 1 . . . . . 89 ASN CG . 51639 1 287 . 1 . 1 89 89 ASN N N 15 126.951 0.060 . 1 . . . . . 89 ASN N . 51639 1 288 . 1 . 1 90 90 GLU C C 13 176.716 0.003 . 1 . . . . . 90 GLU C . 51639 1 289 . 1 . 1 90 90 GLU CA C 13 58.156 0.054 . 1 . . . . . 90 GLU CA . 51639 1 290 . 1 . 1 90 90 GLU CB C 13 29.830 0.000 . 1 . . . . . 90 GLU CB . 51639 1 291 . 1 . 1 90 90 GLU CD C 13 177.673 0.000 . 1 . . . . . 90 GLU CD . 51639 1 292 . 1 . 1 90 90 GLU N N 15 125.160 0.000 . 1 . . . . . 90 GLU N . 51639 1 293 . 1 . 1 91 91 GLU C C 13 177.536 0.061 . 1 . . . . . 91 GLU C . 51639 1 294 . 1 . 1 91 91 GLU CA C 13 58.762 0.004 . 1 . . . . . 91 GLU CA . 51639 1 295 . 1 . 1 91 91 GLU CB C 13 29.339 0.000 . 1 . . . . . 91 GLU CB . 51639 1 296 . 1 . 1 91 91 GLU CG C 13 36.570 0.000 . 1 . . . . . 91 GLU CG . 51639 1 297 . 1 . 1 91 91 GLU N N 15 119.133 0.000 . 1 . . . . . 91 GLU N . 51639 1 298 . 1 . 1 92 92 VAL C C 13 176.228 0.040 . 1 . . . . . 92 VAL C . 51639 1 299 . 1 . 1 92 92 VAL CA C 13 61.722 0.048 . 1 . . . . . 92 VAL CA . 51639 1 300 . 1 . 1 92 92 VAL CB C 13 33.973 0.019 . 1 . . . . . 92 VAL CB . 51639 1 301 . 1 . 1 92 92 VAL CG1 C 13 21.505 0.000 . 1 . . . . . 92 VAL CG1 . 51639 1 302 . 1 . 1 92 92 VAL CG2 C 13 20.887 0.018 . 1 . . . . . 92 VAL CG2 . 51639 1 303 . 1 . 1 92 92 VAL N N 15 112.699 0.117 . 1 . . . . . 92 VAL N . 51639 1 304 . 1 . 1 93 93 GLY C C 13 173.724 0.064 . 1 . . . . . 93 GLY C . 51639 1 305 . 1 . 1 93 93 GLY CA C 13 46.839 0.095 . 1 . . . . . 93 GLY CA . 51639 1 306 . 1 . 1 93 93 GLY N N 15 110.070 0.138 . 1 . . . . . 93 GLY N . 51639 1 307 . 1 . 1 94 94 ARG C C 13 173.449 0.078 . 1 . . . . . 94 ARG C . 51639 1 308 . 1 . 1 94 94 ARG CA C 13 53.773 0.047 . 1 . . . . . 94 ARG CA . 51639 1 309 . 1 . 1 94 94 ARG CB C 13 36.057 0.021 . 1 . . . . . 94 ARG CB . 51639 1 310 . 1 . 1 94 94 ARG CG C 13 28.294 0.085 . 1 . . . . . 94 ARG CG . 51639 1 311 . 1 . 1 94 94 ARG CD C 13 43.482 0.084 . 1 . . . . . 94 ARG CD . 51639 1 312 . 1 . 1 94 94 ARG N N 15 113.920 0.059 . 1 . . . . . 94 ARG N . 51639 1 313 . 1 . 1 95 95 TYR CA C 13 58.300 0.000 . 1 . . . . . 95 TYR CA . 51639 1 314 . 1 . 1 95 95 TYR N N 15 119.913 0.137 . 1 . . . . . 95 TYR N . 51639 1 315 . 1 . 1 96 96 PHE C C 13 176.141 0.000 . 1 . . . . . 96 PHE C . 51639 1 316 . 1 . 1 96 96 PHE CA C 13 56.067 0.146 . 1 . . . . . 96 PHE CA . 51639 1 317 . 1 . 1 96 96 PHE CB C 13 43.429 0.010 . 1 . . . . . 96 PHE CB . 51639 1 318 . 1 . 1 96 96 PHE CG C 13 140.279 0.000 . 1 . . . . . 96 PHE CG . 51639 1 319 . 1 . 1 96 96 PHE CD1 C 13 132.210 0.000 . 1 . . . . . 96 PHE CD . 51639 1 320 . 1 . 1 96 96 PHE CD2 C 13 132.210 0.000 . 1 . . . . . 96 PHE CD . 51639 1 321 . 1 . 1 96 96 PHE N N 15 118.477 0.038 . 1 . . . . . 96 PHE N . 51639 1 322 . 1 . 1 97 97 LEU C C 13 175.410 0.000 . 1 . . . . . 97 LEU C . 51639 1 323 . 1 . 1 97 97 LEU CA C 13 55.550 0.000 . 1 . . . . . 97 LEU CA . 51639 1 324 . 1 . 1 97 97 LEU CB C 13 43.190 0.000 . 1 . . . . . 97 LEU CB . 51639 1 325 . 1 . 1 97 97 LEU CG C 13 26.680 0.000 . 1 . . . . . 97 LEU CG . 51639 1 326 . 1 . 1 106 106 ASN C C 13 175.405 0.112 . 1 . . . . . 106 ASN C . 51639 1 327 . 1 . 1 106 106 ASN CA C 13 55.460 0.000 . 1 . . . . . 106 ASN CA . 51639 1 328 . 1 . 1 106 106 ASN CB C 13 36.970 0.000 . 1 . . . . . 106 ASN CB . 51639 1 329 . 1 . 1 106 106 ASN CG C 13 179.460 0.000 . 1 . . . . . 106 ASN CG . 51639 1 330 . 1 . 1 106 106 ASN N N 15 122.530 0.000 . 1 . . . . . 106 ASN N . 51639 1 331 . 1 . 1 107 107 GLY N N 15 106.490 0.000 . 1 . . . . . 107 GLY N . 51639 1 332 . 1 . 1 112 112 ASN C C 13 177.460 0.000 . 1 . . . . . 112 ASN C . 51639 1 333 . 1 . 1 112 112 ASN CB C 13 37.180 0.000 . 1 . . . . . 112 ASN CB . 51639 1 334 . 1 . 1 113 113 TRP C C 13 176.774 0.000 . 1 . . . . . 113 TRP C . 51639 1 335 . 1 . 1 113 113 TRP CA C 13 57.459 0.053 . 1 . . . . . 113 TRP CA . 51639 1 336 . 1 . 1 113 113 TRP CB C 13 28.020 0.000 . 1 . . . . . 113 TRP CB . 51639 1 337 . 1 . 1 113 113 TRP CG C 13 113.484 0.000 . 1 . . . . . 113 TRP CG . 51639 1 338 . 1 . 1 113 113 TRP N N 15 118.668 0.072 . 1 . . . . . 113 TRP N . 51639 1 339 . 1 . 1 114 114 LEU C C 13 176.030 0.000 . 1 . . . . . 114 LEU C . 51639 1 340 . 1 . 1 114 114 LEU CA C 13 57.670 0.000 . 1 . . . . . 114 LEU CA . 51639 1 341 . 1 . 1 114 114 LEU CB C 13 40.450 0.000 . 1 . . . . . 114 LEU CB . 51639 1 342 . 1 . 1 114 114 LEU CG C 13 26.770 0.000 . 1 . . . . . 114 LEU CG . 51639 1 343 . 1 . 1 114 114 LEU CD2 C 13 22.482 0.000 . 1 . . . . . 114 LEU CD2 . 51639 1 344 . 1 . 1 114 114 LEU N N 15 118.982 0.130 . 1 . . . . . 114 LEU N . 51639 1 345 . 1 . 1 115 115 ILE C C 13 178.688 0.071 . 1 . . . . . 115 ILE C . 51639 1 346 . 1 . 1 115 115 ILE CA C 13 63.920 0.103 . 1 . . . . . 115 ILE CA . 51639 1 347 . 1 . 1 115 115 ILE CB C 13 38.357 0.051 . 1 . . . . . 115 ILE CB . 51639 1 348 . 1 . 1 115 115 ILE CG1 C 13 28.130 0.057 . 1 . . . . . 115 ILE CG1 . 51639 1 349 . 1 . 1 115 115 ILE CG2 C 13 17.254 0.076 . 1 . . . . . 115 ILE CG2 . 51639 1 350 . 1 . 1 115 115 ILE CD1 C 13 13.264 0.051 . 1 . . . . . 115 ILE CD1 . 51639 1 351 . 1 . 1 115 115 ILE N N 15 111.875 0.131 . 1 . . . . . 115 ILE N . 51639 1 352 . 1 . 1 116 116 ASP C C 13 174.997 0.014 . 1 . . . . . 116 ASP C . 51639 1 353 . 1 . 1 116 116 ASP CA C 13 58.768 0.050 . 1 . . . . . 116 ASP CA . 51639 1 354 . 1 . 1 116 116 ASP CB C 13 41.350 0.017 . 1 . . . . . 116 ASP CB . 51639 1 355 . 1 . 1 116 116 ASP CG C 13 177.074 0.034 . 1 . . . . . 116 ASP CG . 51639 1 356 . 1 . 1 116 116 ASP N N 15 114.856 0.085 . 1 . . . . . 116 ASP N . 51639 1 357 . 1 . 1 117 117 VAL C C 13 175.047 0.014 . 1 . . . . . 117 VAL C . 51639 1 358 . 1 . 1 117 117 VAL CA C 13 68.156 0.013 . 1 . . . . . 117 VAL CA . 51639 1 359 . 1 . 1 117 117 VAL CB C 13 28.884 0.000 . 1 . . . . . 117 VAL CB . 51639 1 360 . 1 . 1 117 117 VAL CG1 C 13 24.860 0.000 . 1 . . . . . 117 VAL CG1 . 51639 1 361 . 1 . 1 117 117 VAL N N 15 114.897 0.036 . 1 . . . . . 117 VAL N . 51639 1 362 . 1 . 1 118 118 PRO C C 13 179.751 0.037 . 1 . . . . . 118 PRO C . 51639 1 363 . 1 . 1 118 118 PRO CA C 13 66.500 0.064 . 1 . . . . . 118 PRO CA . 51639 1 364 . 1 . 1 118 118 PRO CB C 13 31.388 0.057 . 1 . . . . . 118 PRO CB . 51639 1 365 . 1 . 1 118 118 PRO CG C 13 28.302 0.087 . 1 . . . . . 118 PRO CG . 51639 1 366 . 1 . 1 118 118 PRO CD C 13 50.249 0.096 . 1 . . . . . 118 PRO CD . 51639 1 367 . 1 . 1 118 118 PRO N N 15 131.251 0.025 . 1 . . . . . 118 PRO N . 51639 1 368 . 1 . 1 119 119 MET C C 13 177.516 0.014 . 1 . . . . . 119 MET C . 51639 1 369 . 1 . 1 119 119 MET CA C 13 57.183 0.097 . 1 . . . . . 119 MET CA . 51639 1 370 . 1 . 1 119 119 MET CB C 13 34.845 0.109 . 1 . . . . . 119 MET CB . 51639 1 371 . 1 . 1 119 119 MET CG C 13 33.821 0.042 . 1 . . . . . 119 MET CG . 51639 1 372 . 1 . 1 119 119 MET CE C 13 20.420 0.000 . 1 . . . . . 119 MET CE . 51639 1 373 . 1 . 1 119 119 MET N N 15 114.284 0.036 . 1 . . . . . 119 MET N . 51639 1 374 . 1 . 1 121 121 LEU C C 13 175.620 0.000 . 1 . . . . . 121 LEU C . 51639 1 375 . 1 . 1 121 121 LEU CA C 13 56.540 0.000 . 1 . . . . . 121 LEU CA . 51639 1 376 . 1 . 1 121 121 LEU CB C 13 39.550 0.000 . 1 . . . . . 121 LEU CB . 51639 1 377 . 1 . 1 121 121 LEU CG C 13 25.880 0.000 . 1 . . . . . 121 LEU CG . 51639 1 378 . 1 . 1 121 121 LEU CD1 C 13 21.980 0.000 . 1 . . . . . 121 LEU CD1 . 51639 1 379 . 1 . 1 121 121 LEU N N 15 116.860 0.000 . 1 . . . . . 121 LEU N . 51639 1 380 . 1 . 1 122 122 PHE C C 13 179.560 0.000 . 1 . . . . . 122 PHE C . 51639 1 381 . 1 . 1 122 122 PHE CA C 13 56.440 0.000 . 1 . . . . . 122 PHE CA . 51639 1 382 . 1 . 1 122 122 PHE CB C 13 41.180 0.000 . 1 . . . . . 122 PHE CB . 51639 1 383 . 1 . 1 122 122 PHE CG C 13 139.038 0.000 . 1 . . . . . 122 PHE CG . 51639 1 384 . 1 . 1 122 122 PHE CE1 C 13 131.050 0.000 . 1 . . . . . 122 PHE CE . 51639 1 385 . 1 . 1 122 122 PHE CE2 C 13 131.050 0.000 . 1 . . . . . 122 PHE CE . 51639 1 386 . 1 . 1 122 122 PHE N N 15 112.890 0.000 . 1 . . . . . 122 PHE N . 51639 1 387 . 1 . 1 123 123 GLN C C 13 177.180 0.000 . 1 . . . . . 123 GLN C . 51639 1 388 . 1 . 1 123 123 GLN CA C 13 59.375 0.028 . 1 . . . . . 123 GLN CA . 51639 1 389 . 1 . 1 123 123 GLN CB C 13 30.575 0.028 . 1 . . . . . 123 GLN CB . 51639 1 390 . 1 . 1 123 123 GLN CG C 13 33.605 0.017 . 1 . . . . . 123 GLN CG . 51639 1 391 . 1 . 1 123 123 GLN CD C 13 179.223 0.000 . 1 . . . . . 123 GLN CD . 51639 1 392 . 1 . 1 123 123 GLN N N 15 112.266 0.055 . 1 . . . . . 123 GLN N . 51639 1 393 . 1 . 1 124 124 ILE C C 13 176.645 0.086 . 1 . . . . . 124 ILE C . 51639 1 394 . 1 . 1 124 124 ILE CA C 13 64.543 0.084 . 1 . . . . . 124 ILE CA . 51639 1 395 . 1 . 1 124 124 ILE CG2 C 13 15.594 0.029 . 1 . . . . . 124 ILE CG2 . 51639 1 396 . 1 . 1 124 124 ILE CD1 C 13 14.176 0.026 . 1 . . . . . 124 ILE CD1 . 51639 1 397 . 1 . 1 124 124 ILE N N 15 117.642 0.034 . 1 . . . . . 124 ILE N . 51639 1 398 . 1 . 1 125 125 LEU C C 13 177.070 0.043 . 1 . . . . . 125 LEU C . 51639 1 399 . 1 . 1 125 125 LEU CA C 13 55.032 0.087 . 1 . . . . . 125 LEU CA . 51639 1 400 . 1 . 1 125 125 LEU CB C 13 40.149 0.074 . 1 . . . . . 125 LEU CB . 51639 1 401 . 1 . 1 125 125 LEU CG C 13 26.574 0.059 . 1 . . . . . 125 LEU CG . 51639 1 402 . 1 . 1 125 125 LEU CD1 C 13 24.915 0.064 . 1 . . . . . 125 LEU CD1 . 51639 1 403 . 1 . 1 125 125 LEU CD2 C 13 22.076 0.048 . 1 . . . . . 125 LEU CD2 . 51639 1 404 . 1 . 1 125 125 LEU N N 15 118.651 0.102 . 1 . . . . . 125 LEU N . 51639 1 405 . 1 . 1 126 126 PHE C C 13 174.050 0.030 . 1 . . . . . 126 PHE C . 51639 1 406 . 1 . 1 126 126 PHE CA C 13 59.190 0.000 . 1 . . . . . 126 PHE CA . 51639 1 407 . 1 . 1 126 126 PHE CB C 13 38.890 0.081 . 1 . . . . . 126 PHE CB . 51639 1 408 . 1 . 1 126 126 PHE CG C 13 140.330 0.000 . 1 . . . . . 126 PHE CG . 51639 1 409 . 1 . 1 126 126 PHE CD1 C 13 131.990 0.000 . 1 . . . . . 126 PHE CD . 51639 1 410 . 1 . 1 126 126 PHE CD2 C 13 131.990 0.000 . 1 . . . . . 126 PHE CD . 51639 1 411 . 1 . 1 126 126 PHE CZ C 13 127.840 0.000 . 1 . . . . . 126 PHE CZ . 51639 1 412 . 1 . 1 126 126 PHE N N 15 115.160 0.000 . 1 . . . . . 126 PHE N . 51639 1 413 . 1 . 1 127 127 VAL C C 13 174.919 0.054 . 1 . . . . . 127 VAL C . 51639 1 414 . 1 . 1 127 127 VAL CA C 13 64.055 0.051 . 1 . . . . . 127 VAL CA . 51639 1 415 . 1 . 1 127 127 VAL CB C 13 34.450 0.059 . 1 . . . . . 127 VAL CB . 51639 1 416 . 1 . 1 127 127 VAL CG1 C 13 22.214 0.047 . 1 . . . . . 127 VAL CG1 . 51639 1 417 . 1 . 1 127 127 VAL CG2 C 13 21.421 0.046 . 1 . . . . . 127 VAL CG2 . 51639 1 418 . 1 . 1 127 127 VAL N N 15 117.225 0.061 . 1 . . . . . 127 VAL N . 51639 1 419 . 1 . 1 128 128 VAL C C 13 175.589 0.047 . 1 . . . . . 128 VAL C . 51639 1 420 . 1 . 1 128 128 VAL CA C 13 60.090 0.045 . 1 . . . . . 128 VAL CA . 51639 1 421 . 1 . 1 128 128 VAL CB C 13 33.026 0.043 . 1 . . . . . 128 VAL CB . 51639 1 422 . 1 . 1 128 128 VAL CG1 C 13 22.638 0.070 . 1 . . . . . 128 VAL CG1 . 51639 1 423 . 1 . 1 128 128 VAL CG2 C 13 17.998 0.055 . 1 . . . . . 128 VAL CG2 . 51639 1 424 . 1 . 1 128 128 VAL N N 15 108.467 0.125 . 1 . . . . . 128 VAL N . 51639 1 425 . 1 . 1 129 129 SER C C 13 172.150 0.000 . 1 . . . . . 129 SER C . 51639 1 426 . 1 . 1 129 129 SER CA C 13 57.359 0.072 . 1 . . . . . 129 SER CA . 51639 1 427 . 1 . 1 129 129 SER CB C 13 64.275 0.031 . 1 . . . . . 129 SER CB . 51639 1 428 . 1 . 1 129 129 SER N N 15 118.327 0.117 . 1 . . . . . 129 SER N . 51639 1 429 . 1 . 1 130 130 LEU C C 13 177.964 0.062 . 1 . . . . . 130 LEU C . 51639 1 430 . 1 . 1 130 130 LEU CA C 13 53.650 0.154 . 1 . . . . . 130 LEU CA . 51639 1 431 . 1 . 1 130 130 LEU CB C 13 41.724 0.043 . 1 . . . . . 130 LEU CB . 51639 1 432 . 1 . 1 130 130 LEU CG C 13 26.641 0.047 . 1 . . . . . 130 LEU CG . 51639 1 433 . 1 . 1 130 130 LEU CD1 C 13 25.207 0.000 . 1 . . . . . 130 LEU CD1 . 51639 1 434 . 1 . 1 130 130 LEU CD2 C 13 22.405 0.030 . 1 . . . . . 130 LEU CD2 . 51639 1 435 . 1 . 1 130 130 LEU N N 15 120.865 0.097 . 1 . . . . . 130 LEU N . 51639 1 436 . 1 . 1 131 131 THR C C 13 175.304 0.058 . 1 . . . . . 131 THR C . 51639 1 437 . 1 . 1 131 131 THR CA C 13 60.774 0.078 . 1 . . . . . 131 THR CA . 51639 1 438 . 1 . 1 131 131 THR CB C 13 68.593 0.052 . 1 . . . . . 131 THR CB . 51639 1 439 . 1 . 1 131 131 THR CG2 C 13 22.708 0.061 . 1 . . . . . 131 THR CG2 . 51639 1 440 . 1 . 1 131 131 THR N N 15 114.434 0.125 . 1 . . . . . 131 THR N . 51639 1 441 . 1 . 1 132 132 THR C C 13 175.988 0.051 . 1 . . . . . 132 THR C . 51639 1 442 . 1 . 1 132 132 THR CA C 13 63.020 0.000 . 1 . . . . . 132 THR CA . 51639 1 443 . 1 . 1 132 132 THR CB C 13 69.628 0.088 . 1 . . . . . 132 THR CB . 51639 1 444 . 1 . 1 132 132 THR CG2 C 13 21.745 0.079 . 1 . . . . . 132 THR CG2 . 51639 1 445 . 1 . 1 132 132 THR N N 15 116.971 0.086 . 1 . . . . . 132 THR N . 51639 1 446 . 1 . 1 133 133 SER C C 13 171.537 0.069 . 1 . . . . . 133 SER C . 51639 1 447 . 1 . 1 133 133 SER CA C 13 59.789 0.038 . 1 . . . . . 133 SER CA . 51639 1 448 . 1 . 1 133 133 SER CB C 13 62.513 0.049 . 1 . . . . . 133 SER CB . 51639 1 449 . 1 . 1 133 133 SER N N 15 122.580 0.132 . 1 . . . . . 133 SER N . 51639 1 450 . 1 . 1 134 134 LYS C C 13 176.265 0.072 . 1 . . . . . 134 LYS C . 51639 1 451 . 1 . 1 134 134 LYS CA C 13 54.543 0.101 . 1 . . . . . 134 LYS CA . 51639 1 452 . 1 . 1 134 134 LYS CB C 13 33.893 0.053 . 1 . . . . . 134 LYS CB . 51639 1 453 . 1 . 1 134 134 LYS CG C 13 24.888 0.055 . 1 . . . . . 134 LYS CG . 51639 1 454 . 1 . 1 134 134 LYS N N 15 120.461 0.077 . 1 . . . . . 134 LYS N . 51639 1 455 . 1 . 1 135 135 PHE C C 13 175.351 0.006 . 1 . . . . . 135 PHE C . 51639 1 456 . 1 . 1 135 135 PHE CA C 13 61.870 0.018 . 1 . . . . . 135 PHE CA . 51639 1 457 . 1 . 1 135 135 PHE CB C 13 39.285 0.016 . 1 . . . . . 135 PHE CB . 51639 1 458 . 1 . 1 135 135 PHE N N 15 125.648 0.069 . 1 . . . . . 135 PHE N . 51639 1 459 . 1 . 1 136 136 SER C C 13 175.490 0.000 . 1 . . . . . 136 SER C . 51639 1 460 . 1 . 1 136 136 SER CA C 13 61.891 0.004 . 1 . . . . . 136 SER CA . 51639 1 461 . 1 . 1 136 136 SER CB C 13 66.382 0.114 . 1 . . . . . 136 SER CB . 51639 1 462 . 1 . 1 136 136 SER N N 15 113.270 0.000 . 1 . . . . . 136 SER N . 51639 1 463 . 1 . 1 137 137 SER C C 13 176.627 0.000 . 1 . . . . . 137 SER C . 51639 1 464 . 1 . 1 137 137 SER CA C 13 60.455 0.115 . 1 . . . . . 137 SER CA . 51639 1 465 . 1 . 1 137 137 SER CB C 13 63.270 0.000 . 1 . . . . . 137 SER CB . 51639 1 466 . 1 . 1 137 137 SER N N 15 114.312 0.148 . 1 . . . . . 137 SER N . 51639 1 467 . 1 . 1 143 143 TRP C C 13 176.552 0.138 . 1 . . . . . 143 TRP C . 51639 1 468 . 1 . 1 143 143 TRP CA C 13 58.561 0.002 . 1 . . . . . 143 TRP CA . 51639 1 469 . 1 . 1 143 143 TRP CB C 13 29.155 0.000 . 1 . . . . . 143 TRP CB . 51639 1 470 . 1 . 1 143 143 TRP N N 15 118.231 0.000 . 1 . . . . . 143 TRP N . 51639 1 471 . 1 . 1 144 144 PHE C C 13 176.217 0.000 . 1 . . . . . 144 PHE C . 51639 1 472 . 1 . 1 144 144 PHE CA C 13 57.192 0.055 . 1 . . . . . 144 PHE CA . 51639 1 473 . 1 . 1 144 144 PHE CB C 13 39.456 0.000 . 1 . . . . . 144 PHE CB . 51639 1 474 . 1 . 1 144 144 PHE N N 15 121.552 0.120 . 1 . . . . . 144 PHE N . 51639 1 475 . 1 . 1 145 145 SER C C 13 176.961 0.003 . 1 . . . . . 145 SER C . 51639 1 476 . 1 . 1 145 145 SER CA C 13 62.363 0.000 . 1 . . . . . 145 SER CA . 51639 1 477 . 1 . 1 145 145 SER CB C 13 63.260 0.000 . 1 . . . . . 145 SER CB . 51639 1 478 . 1 . 1 146 146 GLY C C 13 173.841 0.036 . 1 . . . . . 146 GLY C . 51639 1 479 . 1 . 1 146 146 GLY CA C 13 47.684 0.097 . 1 . . . . . 146 GLY CA . 51639 1 480 . 1 . 1 146 146 GLY N N 15 110.140 0.019 . 1 . . . . . 146 GLY N . 51639 1 481 . 1 . 1 147 147 ALA C C 13 179.318 0.020 . 1 . . . . . 147 ALA C . 51639 1 482 . 1 . 1 147 147 ALA CA C 13 55.277 0.069 . 1 . . . . . 147 ALA CA . 51639 1 483 . 1 . 1 147 147 ALA CB C 13 17.950 0.000 . 1 . . . . . 147 ALA CB . 51639 1 484 . 1 . 1 147 147 ALA N N 15 122.424 0.050 . 1 . . . . . 147 ALA N . 51639 1 485 . 1 . 1 151 151 ILE C C 13 177.414 0.084 . 1 . . . . . 151 ILE C . 51639 1 486 . 1 . 1 151 151 ILE CB C 13 38.187 0.000 . 1 . . . . . 151 ILE CB . 51639 1 487 . 1 . 1 151 151 ILE CG2 C 13 17.195 0.000 . 1 . . . . . 151 ILE CG2 . 51639 1 488 . 1 . 1 152 152 THR C C 13 177.100 0.075 . 1 . . . . . 152 THR C . 51639 1 489 . 1 . 1 152 152 THR CA C 13 65.790 0.000 . 1 . . . . . 152 THR CA . 51639 1 490 . 1 . 1 152 152 THR CB C 13 69.004 0.033 . 1 . . . . . 152 THR CB . 51639 1 491 . 1 . 1 152 152 THR CG2 C 13 23.625 0.077 . 1 . . . . . 152 THR CG2 . 51639 1 492 . 1 . 1 152 152 THR N N 15 107.355 0.118 . 1 . . . . . 152 THR N . 51639 1 493 . 1 . 1 153 153 GLY C C 13 173.928 0.024 . 1 . . . . . 153 GLY C . 51639 1 494 . 1 . 1 153 153 GLY CA C 13 47.933 0.056 . 1 . . . . . 153 GLY CA . 51639 1 495 . 1 . 1 153 153 GLY N N 15 108.443 0.225 . 1 . . . . . 153 GLY N . 51639 1 496 . 1 . 1 154 154 TYR C C 13 176.394 0.006 . 1 . . . . . 154 TYR C . 51639 1 497 . 1 . 1 154 154 TYR CA C 13 60.130 0.033 . 1 . . . . . 154 TYR CA . 51639 1 498 . 1 . 1 154 154 TYR CB C 13 38.328 0.000 . 1 . . . . . 154 TYR CB . 51639 1 499 . 1 . 1 154 154 TYR N N 15 122.631 0.078 . 1 . . . . . 154 TYR N . 51639 1 500 . 1 . 1 155 155 ILE C C 13 177.746 0.055 . 1 . . . . . 155 ILE C . 51639 1 501 . 1 . 1 155 155 ILE CA C 13 65.445 0.000 . 1 . . . . . 155 ILE CA . 51639 1 502 . 1 . 1 155 155 ILE CB C 13 38.129 0.000 . 1 . . . . . 155 ILE CB . 51639 1 503 . 1 . 1 155 155 ILE CG2 C 13 15.592 0.000 . 1 . . . . . 155 ILE CG2 . 51639 1 504 . 1 . 1 155 155 ILE CD1 C 13 14.097 0.000 . 1 . . . . . 155 ILE CD1 . 51639 1 505 . 1 . 1 155 155 ILE N N 15 116.240 0.000 . 1 . . . . . 155 ILE N . 51639 1 506 . 1 . 1 156 156 GLY C C 13 177.627 0.047 . 1 . . . . . 156 GLY C . 51639 1 507 . 1 . 1 156 156 GLY CA C 13 49.211 0.097 . 1 . . . . . 156 GLY CA . 51639 1 508 . 1 . 1 156 156 GLY N N 15 102.522 0.072 . 1 . . . . . 156 GLY N . 51639 1 509 . 1 . 1 157 157 GLN C C 13 177.869 0.043 . 1 . . . . . 157 GLN C . 51639 1 510 . 1 . 1 157 157 GLN CA C 13 58.199 0.059 . 1 . . . . . 157 GLN CA . 51639 1 511 . 1 . 1 157 157 GLN CB C 13 34.427 0.000 . 1 . . . . . 157 GLN CB . 51639 1 512 . 1 . 1 157 157 GLN CD C 13 179.661 0.000 . 1 . . . . . 157 GLN CD . 51639 1 513 . 1 . 1 157 157 GLN N N 15 115.203 0.026 . 1 . . . . . 157 GLN N . 51639 1 514 . 1 . 1 160 160 GLU CA C 13 58.230 0.000 . 1 . . . . . 160 GLU CA . 51639 1 515 . 1 . 1 160 160 GLU CB C 13 27.204 0.000 . 1 . . . . . 160 GLU CB . 51639 1 516 . 1 . 1 161 161 VAL C C 13 176.474 0.025 . 1 . . . . . 161 VAL C . 51639 1 517 . 1 . 1 161 161 VAL CA C 13 62.347 0.063 . 1 . . . . . 161 VAL CA . 51639 1 518 . 1 . 1 161 161 VAL N N 15 119.061 0.163 . 1 . . . . . 161 VAL N . 51639 1 519 . 1 . 1 162 162 SER C C 13 175.713 0.041 . 1 . . . . . 162 SER C . 51639 1 520 . 1 . 1 162 162 SER CA C 13 60.291 0.066 . 1 . . . . . 162 SER CA . 51639 1 521 . 1 . 1 162 162 SER CB C 13 64.636 0.038 . 1 . . . . . 162 SER CB . 51639 1 522 . 1 . 1 162 162 SER N N 15 115.611 0.144 . 1 . . . . . 162 SER N . 51639 1 523 . 1 . 1 163 163 ASN C C 13 172.896 0.059 . 1 . . . . . 163 ASN C . 51639 1 524 . 1 . 1 163 163 ASN CA C 13 53.254 0.070 . 1 . . . . . 163 ASN CA . 51639 1 525 . 1 . 1 163 163 ASN CB C 13 38.741 0.030 . 1 . . . . . 163 ASN CB . 51639 1 526 . 1 . 1 163 163 ASN CG C 13 177.632 0.014 . 1 . . . . . 163 ASN CG . 51639 1 527 . 1 . 1 163 163 ASN N N 15 120.592 0.056 . 1 . . . . . 163 ASN N . 51639 1 528 . 1 . 1 164 164 LEU C C 13 178.020 0.052 . 1 . . . . . 164 LEU C . 51639 1 529 . 1 . 1 164 164 LEU CA C 13 57.658 0.072 . 1 . . . . . 164 LEU CA . 51639 1 530 . 1 . 1 164 164 LEU CB C 13 41.663 0.000 . 1 . . . . . 164 LEU CB . 51639 1 531 . 1 . 1 164 164 LEU CG C 13 27.344 0.000 . 1 . . . . . 164 LEU CG . 51639 1 532 . 1 . 1 164 164 LEU CD1 C 13 26.437 0.000 . 1 . . . . . 164 LEU CD1 . 51639 1 533 . 1 . 1 164 164 LEU N N 15 127.226 0.071 . 1 . . . . . 164 LEU N . 51639 1 534 . 1 . 1 165 165 THR CA C 13 67.683 0.000 . 1 . . . . . 165 THR CA . 51639 1 535 . 1 . 1 165 165 THR N N 15 119.942 0.067 . 1 . . . . . 165 THR N . 51639 1 536 . 1 . 1 169 169 VAL CA C 13 67.493 0.037 . 1 . . . . . 169 VAL CA . 51639 1 537 . 1 . 1 169 169 VAL CB C 13 31.084 0.000 . 1 . . . . . 169 VAL CB . 51639 1 538 . 1 . 1 170 170 TRP C C 13 178.782 0.069 . 1 . . . . . 170 TRP C . 51639 1 539 . 1 . 1 170 170 TRP CA C 13 61.221 0.102 . 1 . . . . . 170 TRP CA . 51639 1 540 . 1 . 1 170 170 TRP CB C 13 28.693 0.078 . 1 . . . . . 170 TRP CB . 51639 1 541 . 1 . 1 170 170 TRP CD1 C 13 126.860 0.000 . 1 . . . . . 170 TRP CD1 . 51639 1 542 . 1 . 1 170 170 TRP CZ2 C 13 113.141 0.000 . 1 . . . . . 170 TRP CZ2 . 51639 1 543 . 1 . 1 170 170 TRP N N 15 117.960 0.112 . 1 . . . . . 170 TRP N . 51639 1 544 . 1 . 1 171 171 GLY C C 13 175.089 0.055 . 1 . . . . . 171 GLY C . 51639 1 545 . 1 . 1 171 171 GLY CA C 13 47.360 0.068 . 1 . . . . . 171 GLY CA . 51639 1 546 . 1 . 1 171 171 GLY N N 15 103.936 0.055 . 1 . . . . . 171 GLY N . 51639 1 547 . 1 . 1 172 172 ALA C C 13 178.741 0.060 . 1 . . . . . 172 ALA C . 51639 1 548 . 1 . 1 172 172 ALA CA C 13 55.260 0.055 . 1 . . . . . 172 ALA CA . 51639 1 549 . 1 . 1 172 172 ALA CB C 13 18.216 0.015 . 1 . . . . . 172 ALA CB . 51639 1 550 . 1 . 1 172 172 ALA N N 15 127.252 0.246 . 1 . . . . . 172 ALA N . 51639 1 551 . 1 . 1 173 173 ILE C C 13 176.687 0.115 . 1 . . . . . 173 ILE C . 51639 1 552 . 1 . 1 173 173 ILE CA C 13 65.756 0.195 . 1 . . . . . 173 ILE CA . 51639 1 553 . 1 . 1 173 173 ILE CB C 13 38.258 0.084 . 1 . . . . . 173 ILE CB . 51639 1 554 . 1 . 1 173 173 ILE CG1 C 13 28.640 0.277 . 1 . . . . . 173 ILE CG1 . 51639 1 555 . 1 . 1 173 173 ILE CD1 C 13 14.026 0.000 . 1 . . . . . 173 ILE CD1 . 51639 1 556 . 1 . 1 173 173 ILE N N 15 118.552 0.154 . 1 . . . . . 173 ILE N . 51639 1 557 . 1 . 1 174 174 SER C C 13 179.037 0.041 . 1 . . . . . 174 SER C . 51639 1 558 . 1 . 1 174 174 SER CA C 13 63.046 0.066 . 1 . . . . . 174 SER CA . 51639 1 559 . 1 . 1 174 174 SER CB C 13 63.940 0.000 . 1 . . . . . 174 SER CB . 51639 1 560 . 1 . 1 174 174 SER N N 15 112.450 0.000 . 1 . . . . . 174 SER N . 51639 1 561 . 1 . 1 175 175 SER C C 13 174.517 0.049 . 1 . . . . . 175 SER C . 51639 1 562 . 1 . 1 175 175 SER CA C 13 62.628 0.081 . 1 . . . . . 175 SER CA . 51639 1 563 . 1 . 1 175 175 SER N N 15 113.754 0.156 . 1 . . . . . 175 SER N . 51639 1 564 . 1 . 1 176 176 ALA C C 13 178.647 0.010 . 1 . . . . . 176 ALA C . 51639 1 565 . 1 . 1 176 176 ALA CA C 13 55.850 0.084 . 1 . . . . . 176 ALA CA . 51639 1 566 . 1 . 1 176 176 ALA CB C 13 18.014 0.000 . 1 . . . . . 176 ALA CB . 51639 1 567 . 1 . 1 176 176 ALA N N 15 124.920 0.318 . 1 . . . . . 176 ALA N . 51639 1 568 . 1 . 1 180 180 HIS C C 13 178.069 0.000 . 1 . . . . . 180 HIS C . 51639 1 569 . 1 . 1 180 180 HIS CA C 13 60.843 0.142 . 1 . . . . . 180 HIS CA . 51639 1 570 . 1 . 1 180 180 HIS CB C 13 28.911 0.000 . 1 . . . . . 180 HIS CB . 51639 1 571 . 1 . 1 180 180 HIS N N 15 119.639 0.018 . 1 . . . . . 180 HIS N . 51639 1 572 . 1 . 1 181 181 ILE C C 13 177.863 0.000 . 1 . . . . . 181 ILE C . 51639 1 573 . 1 . 1 181 181 ILE CA C 13 61.129 0.008 . 1 . . . . . 181 ILE CA . 51639 1 574 . 1 . 1 181 181 ILE CB C 13 37.093 0.000 . 1 . . . . . 181 ILE CB . 51639 1 575 . 1 . 1 181 181 ILE CG2 C 13 19.136 0.000 . 1 . . . . . 181 ILE CG2 . 51639 1 576 . 1 . 1 181 181 ILE N N 15 119.425 0.079 . 1 . . . . . 181 ILE N . 51639 1 577 . 1 . 1 183 183 TRP C C 13 177.870 0.000 . 1 . . . . . 183 TRP C . 51639 1 578 . 1 . 1 183 183 TRP CA C 13 59.430 0.000 . 1 . . . . . 183 TRP CA . 51639 1 579 . 1 . 1 183 183 TRP CB C 13 35.230 0.000 . 1 . . . . . 183 TRP CB . 51639 1 580 . 1 . 1 183 183 TRP CG C 13 112.490 0.000 . 1 . . . . . 183 TRP CG . 51639 1 581 . 1 . 1 183 183 TRP N N 15 117.440 0.000 . 1 . . . . . 183 TRP N . 51639 1 582 . 1 . 1 186 186 LYS C C 13 177.310 0.000 . 1 . . . . . 186 LYS C . 51639 1 583 . 1 . 1 190 190 ASN C C 13 177.200 0.000 . 1 . . . . . 190 ASN C . 51639 1 584 . 1 . 1 190 190 ASN CA C 13 55.060 0.000 . 1 . . . . . 190 ASN CA . 51639 1 585 . 1 . 1 190 190 ASN N N 15 120.720 0.000 . 1 . . . . . 190 ASN N . 51639 1 586 . 1 . 1 191 191 GLU C C 13 179.430 0.095 . 1 . . . . . 191 GLU C . 51639 1 587 . 1 . 1 191 191 GLU CA C 13 60.070 0.000 . 1 . . . . . 191 GLU CA . 51639 1 588 . 1 . 1 191 191 GLU CB C 13 29.595 0.067 . 1 . . . . . 191 GLU CB . 51639 1 589 . 1 . 1 191 191 GLU CG C 13 37.029 0.050 . 1 . . . . . 191 GLU CG . 51639 1 590 . 1 . 1 191 191 GLU CD C 13 183.451 0.000 . 1 . . . . . 191 GLU CD . 51639 1 591 . 1 . 1 191 191 GLU N N 15 121.870 0.000 . 1 . . . . . 191 GLU N . 51639 1 592 . 1 . 1 192 192 GLY C C 13 174.556 0.093 . 1 . . . . . 192 GLY C . 51639 1 593 . 1 . 1 192 192 GLY CA C 13 46.141 0.112 . 1 . . . . . 192 GLY CA . 51639 1 594 . 1 . 1 192 192 GLY N N 15 107.649 0.092 . 1 . . . . . 192 GLY N . 51639 1 595 . 1 . 1 193 193 LYS C C 13 177.940 0.000 . 1 . . . . . 193 LYS C . 51639 1 596 . 1 . 1 193 193 LYS CA C 13 58.008 0.035 . 1 . . . . . 193 LYS CA . 51639 1 597 . 1 . 1 193 193 LYS CB C 13 30.738 0.075 . 1 . . . . . 193 LYS CB . 51639 1 598 . 1 . 1 193 193 LYS N N 15 115.458 0.129 . 1 . . . . . 193 LYS N . 51639 1 599 . 1 . 1 194 194 GLU C C 13 178.121 0.077 . 1 . . . . . 194 GLU C . 51639 1 600 . 1 . 1 194 194 GLU CA C 13 58.070 0.095 . 1 . . . . . 194 GLU CA . 51639 1 601 . 1 . 1 194 194 GLU CB C 13 28.950 0.000 . 1 . . . . . 194 GLU CB . 51639 1 602 . 1 . 1 194 194 GLU CG C 13 36.000 0.000 . 1 . . . . . 194 GLU CG . 51639 1 603 . 1 . 1 194 194 GLU CD C 13 183.741 0.000 . 1 . . . . . 194 GLU CD . 51639 1 604 . 1 . 1 194 194 GLU N N 15 118.099 0.001 . 1 . . . . . 194 GLU N . 51639 1 605 . 1 . 1 195 195 GLY C C 13 174.515 0.055 . 1 . . . . . 195 GLY C . 51639 1 606 . 1 . 1 195 195 GLY CA C 13 45.738 0.049 . 1 . . . . . 195 GLY CA . 51639 1 607 . 1 . 1 195 195 GLY N N 15 110.542 0.120 . 1 . . . . . 195 GLY N . 51639 1 608 . 1 . 1 196 196 ILE C C 13 175.405 0.090 . 1 . . . . . 196 ILE C . 51639 1 609 . 1 . 1 196 196 ILE CA C 13 59.584 0.073 . 1 . . . . . 196 ILE CA . 51639 1 610 . 1 . 1 196 196 ILE CB C 13 40.018 0.059 . 1 . . . . . 196 ILE CB . 51639 1 611 . 1 . 1 196 196 ILE CG1 C 13 25.085 0.026 . 1 . . . . . 196 ILE CG1 . 51639 1 612 . 1 . 1 196 196 ILE CG2 C 13 17.506 0.049 . 1 . . . . . 196 ILE CG2 . 51639 1 613 . 1 . 1 196 196 ILE CD1 C 13 14.961 0.073 . 1 . . . . . 196 ILE CD1 . 51639 1 614 . 1 . 1 196 196 ILE N N 15 113.050 0.086 . 1 . . . . . 196 ILE N . 51639 1 615 . 1 . 1 197 197 SER C C 13 173.090 0.064 . 1 . . . . . 197 SER C . 51639 1 616 . 1 . 1 197 197 SER CA C 13 56.920 0.083 . 1 . . . . . 197 SER CA . 51639 1 617 . 1 . 1 197 197 SER CB C 13 63.078 0.054 . 1 . . . . . 197 SER CB . 51639 1 618 . 1 . 1 197 197 SER N N 15 116.776 0.075 . 1 . . . . . 197 SER N . 51639 1 619 . 1 . 1 198 198 PRO C C 13 179.246 0.000 . 1 . . . . . 198 PRO C . 51639 1 620 . 1 . 1 198 198 PRO CA C 13 65.822 0.064 . 1 . . . . . 198 PRO CA . 51639 1 621 . 1 . 1 198 198 PRO CB C 13 31.735 0.058 . 1 . . . . . 198 PRO CB . 51639 1 622 . 1 . 1 198 198 PRO CG C 13 28.029 0.042 . 1 . . . . . 198 PRO CG . 51639 1 623 . 1 . 1 198 198 PRO CD C 13 50.275 0.084 . 1 . . . . . 198 PRO CD . 51639 1 624 . 1 . 1 198 198 PRO N N 15 135.926 0.034 . 1 . . . . . 198 PRO N . 51639 1 625 . 1 . 1 199 199 ALA C C 13 180.850 0.000 . 1 . . . . . 199 ALA C . 51639 1 626 . 1 . 1 199 199 ALA CA C 13 55.020 0.000 . 1 . . . . . 199 ALA CA . 51639 1 627 . 1 . 1 199 199 ALA CB C 13 18.240 0.000 . 1 . . . . . 199 ALA CB . 51639 1 628 . 1 . 1 200 200 GLY C C 13 175.200 0.023 . 1 . . . . . 200 GLY C . 51639 1 629 . 1 . 1 200 200 GLY CA C 13 47.001 0.023 . 1 . . . . . 200 GLY CA . 51639 1 630 . 1 . 1 200 200 GLY N N 15 107.110 0.169 . 1 . . . . . 200 GLY N . 51639 1 631 . 1 . 1 201 201 GLN C C 13 178.462 0.000 . 1 . . . . . 201 GLN C . 51639 1 632 . 1 . 1 201 201 GLN CA C 13 60.294 0.031 . 1 . . . . . 201 GLN CA . 51639 1 633 . 1 . 1 201 201 GLN CB C 13 27.832 0.000 . 1 . . . . . 201 GLN CB . 51639 1 634 . 1 . 1 201 201 GLN CG C 13 34.700 0.000 . 1 . . . . . 201 GLN CG . 51639 1 635 . 1 . 1 201 201 GLN N N 15 121.084 0.064 . 1 . . . . . 201 GLN N . 51639 1 636 . 1 . 1 202 202 LYS C C 13 178.466 0.000 . 1 . . . . . 202 LYS C . 51639 1 637 . 1 . 1 202 202 LYS CA C 13 59.270 0.000 . 1 . . . . . 202 LYS CA . 51639 1 638 . 1 . 1 202 202 LYS CB C 13 32.090 0.000 . 1 . . . . . 202 LYS CB . 51639 1 639 . 1 . 1 202 202 LYS CG C 13 24.880 0.000 . 1 . . . . . 202 LYS CG . 51639 1 640 . 1 . 1 202 202 LYS N N 15 119.881 0.000 . 1 . . . . . 202 LYS N . 51639 1 641 . 1 . 1 203 203 ILE CA C 13 65.551 0.049 . 1 . . . . . 203 ILE CA . 51639 1 642 . 1 . 1 203 203 ILE CG2 C 13 18.586 0.000 . 1 . . . . . 203 ILE CG2 . 51639 1 643 . 1 . 1 203 203 ILE CD1 C 13 13.126 0.000 . 1 . . . . . 203 ILE CD1 . 51639 1 644 . 1 . 1 203 203 ILE N N 15 118.740 0.091 . 1 . . . . . 203 ILE N . 51639 1 645 . 1 . 1 205 205 SER C C 13 176.480 0.000 . 1 . . . . . 205 SER C . 51639 1 646 . 1 . 1 205 205 SER CA C 13 62.332 0.000 . 1 . . . . . 205 SER CA . 51639 1 647 . 1 . 1 206 206 ASN C C 13 174.190 0.000 . 1 . . . . . 206 ASN C . 51639 1 648 . 1 . 1 206 206 ASN CA C 13 55.786 0.070 . 1 . . . . . 206 ASN CA . 51639 1 649 . 1 . 1 206 206 ASN CB C 13 37.465 0.031 . 1 . . . . . 206 ASN CB . 51639 1 650 . 1 . 1 206 206 ASN CG C 13 177.160 0.000 . 1 . . . . . 206 ASN CG . 51639 1 651 . 1 . 1 207 207 ILE C C 13 176.836 0.000 . 1 . . . . . 207 ILE C . 51639 1 652 . 1 . 1 207 207 ILE CA C 13 66.373 0.092 . 1 . . . . . 207 ILE CA . 51639 1 653 . 1 . 1 207 207 ILE CB C 13 37.192 0.073 . 1 . . . . . 207 ILE CB . 51639 1 654 . 1 . 1 207 207 ILE CD1 C 13 14.336 0.000 . 1 . . . . . 207 ILE CD1 . 51639 1 655 . 1 . 1 207 207 ILE N N 15 121.411 0.085 . 1 . . . . . 207 ILE N . 51639 1 656 . 1 . 1 208 208 TRP C C 13 175.599 0.038 . 1 . . . . . 208 TRP C . 51639 1 657 . 1 . 1 208 208 TRP CA C 13 59.270 0.000 . 1 . . . . . 208 TRP CA . 51639 1 658 . 1 . 1 208 208 TRP CB C 13 29.860 0.000 . 1 . . . . . 208 TRP CB . 51639 1 659 . 1 . 1 208 208 TRP CG C 13 110.900 0.000 . 1 . . . . . 208 TRP CG . 51639 1 660 . 1 . 1 208 208 TRP CD2 C 13 127.520 0.000 . 1 . . . . . 208 TRP CD2 . 51639 1 661 . 1 . 1 208 208 TRP N N 15 119.348 0.079 . 1 . . . . . 208 TRP N . 51639 1 662 . 1 . 1 209 209 ILE CA C 13 64.323 0.051 . 1 . . . . . 209 ILE CA . 51639 1 663 . 1 . 1 209 209 ILE CB C 13 37.587 0.000 . 1 . . . . . 209 ILE CB . 51639 1 664 . 1 . 1 209 209 ILE CG2 C 13 18.382 0.000 . 1 . . . . . 209 ILE CG2 . 51639 1 665 . 1 . 1 209 209 ILE CD1 C 13 12.695 0.000 . 1 . . . . . 209 ILE CD1 . 51639 1 666 . 1 . 1 209 209 ILE N N 15 115.659 0.108 . 1 . . . . . 209 ILE N . 51639 1 667 . 1 . 1 210 210 LEU C C 13 179.191 0.068 . 1 . . . . . 210 LEU C . 51639 1 668 . 1 . 1 210 210 LEU CA C 13 58.333 0.000 . 1 . . . . . 210 LEU CA . 51639 1 669 . 1 . 1 210 210 LEU CB C 13 42.670 0.000 . 1 . . . . . 210 LEU CB . 51639 1 670 . 1 . 1 210 210 LEU CG C 13 27.077 0.000 . 1 . . . . . 210 LEU CG . 51639 1 671 . 1 . 1 211 211 PHE C C 13 174.338 0.042 . 1 . . . . . 211 PHE C . 51639 1 672 . 1 . 1 211 211 PHE CA C 13 61.476 0.165 . 1 . . . . . 211 PHE CA . 51639 1 673 . 1 . 1 211 211 PHE CB C 13 39.841 0.032 . 1 . . . . . 211 PHE CB . 51639 1 674 . 1 . 1 211 211 PHE CG C 13 137.200 0.000 . 1 . . . . . 211 PHE CG . 51639 1 675 . 1 . 1 211 211 PHE CZ C 13 129.150 0.000 . 1 . . . . . 211 PHE CZ . 51639 1 676 . 1 . 1 211 211 PHE N N 15 124.415 0.087 . 1 . . . . . 211 PHE N . 51639 1 677 . 1 . 1 212 212 LEU CA C 13 57.848 0.041 . 1 . . . . . 212 LEU CA . 51639 1 678 . 1 . 1 212 212 LEU CB C 13 42.039 0.134 . 1 . . . . . 212 LEU CB . 51639 1 679 . 1 . 1 212 212 LEU CG C 13 26.555 0.000 . 1 . . . . . 212 LEU CG . 51639 1 680 . 1 . 1 212 212 LEU N N 15 117.547 0.073 . 1 . . . . . 212 LEU N . 51639 1 681 . 1 . 1 213 213 ILE C C 13 176.677 0.036 . 1 . . . . . 213 ILE C . 51639 1 682 . 1 . 1 213 213 ILE CA C 13 58.740 0.000 . 1 . . . . . 213 ILE CA . 51639 1 683 . 1 . 1 213 213 ILE CB C 13 38.270 0.000 . 1 . . . . . 213 ILE CB . 51639 1 684 . 1 . 1 213 213 ILE CG1 C 13 28.917 0.000 . 1 . . . . . 213 ILE CG1 . 51639 1 685 . 1 . 1 213 213 ILE CG2 C 13 16.963 0.036 . 1 . . . . . 213 ILE CG2 . 51639 1 686 . 1 . 1 213 213 ILE CD1 C 13 14.583 0.000 . 1 . . . . . 213 ILE CD1 . 51639 1 687 . 1 . 1 213 213 ILE N N 15 114.929 0.080 . 1 . . . . . 213 ILE N . 51639 1 688 . 1 . 1 214 214 SER C C 13 176.444 0.071 . 1 . . . . . 214 SER C . 51639 1 689 . 1 . 1 214 214 SER CA C 13 63.125 0.036 . 1 . . . . . 214 SER CA . 51639 1 690 . 1 . 1 214 214 SER CB C 13 64.591 0.025 . 1 . . . . . 214 SER CB . 51639 1 691 . 1 . 1 214 214 SER N N 15 111.859 0.000 . 1 . . . . . 214 SER N . 51639 1 692 . 1 . 1 215 215 TRP C C 13 178.795 0.067 . 1 . . . . . 215 TRP C . 51639 1 693 . 1 . 1 215 215 TRP CA C 13 62.726 0.110 . 1 . . . . . 215 TRP CA . 51639 1 694 . 1 . 1 215 215 TRP CB C 13 26.124 0.024 . 1 . . . . . 215 TRP CB . 51639 1 695 . 1 . 1 215 215 TRP CZ2 C 13 115.058 0.000 . 1 . . . . . 215 TRP CZ2 . 51639 1 696 . 1 . 1 215 215 TRP N N 15 120.191 0.144 . 1 . . . . . 215 TRP N . 51639 1 697 . 1 . 1 216 216 THR C C 13 174.467 0.026 . 1 . . . . . 216 THR C . 51639 1 698 . 1 . 1 216 216 THR CA C 13 67.433 0.041 . 1 . . . . . 216 THR CA . 51639 1 699 . 1 . 1 216 216 THR CB C 13 66.575 0.063 . 1 . . . . . 216 THR CB . 51639 1 700 . 1 . 1 216 216 THR CG2 C 13 23.215 0.054 . 1 . . . . . 216 THR CG2 . 51639 1 701 . 1 . 1 216 216 THR N N 15 115.171 0.051 . 1 . . . . . 216 THR N . 51639 1 702 . 1 . 1 218 218 TYR C C 13 178.307 0.023 . 1 . . . . . 218 TYR C . 51639 1 703 . 1 . 1 218 218 TYR CA C 13 65.366 0.269 . 1 . . . . . 218 TYR CA . 51639 1 704 . 1 . 1 218 218 TYR CB C 13 35.170 0.000 . 1 . . . . . 218 TYR CB . 51639 1 705 . 1 . 1 218 218 TYR N N 15 115.406 0.091 . 1 . . . . . 218 TYR N . 51639 1 706 . 1 . 1 219 219 PRO C C 13 177.867 0.046 . 1 . . . . . 219 PRO C . 51639 1 707 . 1 . 1 219 219 PRO CA C 13 64.735 0.054 . 1 . . . . . 219 PRO CA . 51639 1 708 . 1 . 1 219 219 PRO CB C 13 29.094 0.058 . 1 . . . . . 219 PRO CB . 51639 1 709 . 1 . 1 219 219 PRO CG C 13 26.610 0.000 . 1 . . . . . 219 PRO CG . 51639 1 710 . 1 . 1 219 219 PRO CD C 13 49.360 0.000 . 1 . . . . . 219 PRO CD . 51639 1 711 . 1 . 1 219 219 PRO N N 15 137.268 0.038 . 1 . . . . . 219 PRO N . 51639 1 712 . 1 . 1 220 220 GLY C C 13 173.920 0.000 . 1 . . . . . 220 GLY C . 51639 1 713 . 1 . 1 220 220 GLY CA C 13 47.890 0.000 . 1 . . . . . 220 GLY CA . 51639 1 714 . 1 . 1 220 220 GLY N N 15 105.863 0.111 . 1 . . . . . 220 GLY N . 51639 1 715 . 1 . 1 221 221 ALA C C 13 179.320 0.014 . 1 . . . . . 221 ALA C . 51639 1 716 . 1 . 1 221 221 ALA CA C 13 55.214 0.000 . 1 . . . . . 221 ALA CA . 51639 1 717 . 1 . 1 221 221 ALA CB C 13 17.802 0.000 . 1 . . . . . 221 ALA CB . 51639 1 718 . 1 . 1 221 221 ALA N N 15 121.380 0.000 . 1 . . . . . 221 ALA N . 51639 1 719 . 1 . 1 222 222 TYR C C 13 176.064 0.003 . 1 . . . . . 222 TYR C . 51639 1 720 . 1 . 1 222 222 TYR CA C 13 61.732 0.062 . 1 . . . . . 222 TYR CA . 51639 1 721 . 1 . 1 222 222 TYR CB C 13 39.592 0.077 . 1 . . . . . 222 TYR CB . 51639 1 722 . 1 . 1 222 222 TYR N N 15 122.261 0.045 . 1 . . . . . 222 TYR N . 51639 1 723 . 1 . 1 223 223 LEU C C 13 177.172 0.039 . 1 . . . . . 223 LEU C . 51639 1 724 . 1 . 1 223 223 LEU CA C 13 55.432 0.077 . 1 . . . . . 223 LEU CA . 51639 1 725 . 1 . 1 223 223 LEU CB C 13 44.757 0.073 . 1 . . . . . 223 LEU CB . 51639 1 726 . 1 . 1 223 223 LEU CG C 13 26.933 0.000 . 1 . . . . . 223 LEU CG . 51639 1 727 . 1 . 1 223 223 LEU CD2 C 13 22.745 0.000 . 1 . . . . . 223 LEU CD2 . 51639 1 728 . 1 . 1 223 223 LEU N N 15 112.204 0.065 . 1 . . . . . 223 LEU N . 51639 1 729 . 1 . 1 224 224 MET C C 13 171.537 0.084 . 1 . . . . . 224 MET C . 51639 1 730 . 1 . 1 224 224 MET CA C 13 59.096 0.052 . 1 . . . . . 224 MET CA . 51639 1 731 . 1 . 1 224 224 MET CB C 13 31.540 0.000 . 1 . . . . . 224 MET CB . 51639 1 732 . 1 . 1 224 224 MET CG C 13 29.280 0.000 . 1 . . . . . 224 MET CG . 51639 1 733 . 1 . 1 224 224 MET N N 15 117.449 0.127 . 1 . . . . . 224 MET N . 51639 1 734 . 1 . 1 225 225 PRO CA C 13 64.798 0.000 . 1 . . . . . 225 PRO CA . 51639 1 735 . 1 . 1 225 225 PRO CD C 13 49.530 0.000 . 1 . . . . . 225 PRO CD . 51639 1 736 . 1 . 1 225 225 PRO N N 15 129.598 0.048 . 1 . . . . . 225 PRO N . 51639 1 737 . 1 . 1 226 226 TYR C C 13 177.595 0.000 . 1 . . . . . 226 TYR C . 51639 1 738 . 1 . 1 226 226 TYR CA C 13 58.285 0.029 . 1 . . . . . 226 TYR CA . 51639 1 739 . 1 . 1 226 226 TYR CB C 13 39.851 0.000 . 1 . . . . . 226 TYR CB . 51639 1 740 . 1 . 1 226 226 TYR CG C 13 131.333 0.000 . 1 . . . . . 226 TYR CG . 51639 1 741 . 1 . 1 226 226 TYR N N 15 108.603 0.047 . 1 . . . . . 226 TYR N . 51639 1 742 . 1 . 1 227 227 LEU C C 13 174.150 0.066 . 1 . . . . . 227 LEU C . 51639 1 743 . 1 . 1 227 227 LEU CA C 13 57.558 0.000 . 1 . . . . . 227 LEU CA . 51639 1 744 . 1 . 1 228 228 THR C C 13 174.460 0.097 . 1 . . . . . 228 THR C . 51639 1 745 . 1 . 1 228 228 THR CA C 13 59.002 0.070 . 1 . . . . . 228 THR CA . 51639 1 746 . 1 . 1 228 228 THR CB C 13 67.728 0.061 . 1 . . . . . 228 THR CB . 51639 1 747 . 1 . 1 228 228 THR CG2 C 13 23.178 0.056 . 1 . . . . . 228 THR CG2 . 51639 1 748 . 1 . 1 228 228 THR N N 15 99.601 0.146 . 1 . . . . . 228 THR N . 51639 1 749 . 1 . 1 229 229 GLY CA C 13 43.886 0.000 . 1 . . . . . 229 GLY CA . 51639 1 750 . 1 . 1 229 229 GLY N N 15 107.017 0.143 . 1 . . . . . 229 GLY N . 51639 1 751 . 1 . 1 235 235 TYR C C 13 175.260 0.000 . 1 . . . . . 235 TYR C . 51639 1 752 . 1 . 1 235 235 TYR CA C 13 57.729 0.066 . 1 . . . . . 235 TYR CA . 51639 1 753 . 1 . 1 235 235 TYR CB C 13 34.702 0.000 . 1 . . . . . 235 TYR CB . 51639 1 754 . 1 . 1 235 235 TYR N N 15 125.124 0.052 . 1 . . . . . 235 TYR N . 51639 1 755 . 1 . 1 240 240 VAL CA C 13 67.469 0.000 . 1 . . . . . 240 VAL CA . 51639 1 756 . 1 . 1 241 241 MET C C 13 177.925 0.000 . 1 . . . . . 241 MET C . 51639 1 757 . 1 . 1 241 241 MET CA C 13 59.127 0.000 . 1 . . . . . 241 MET CA . 51639 1 758 . 1 . 1 241 241 MET CB C 13 34.935 0.000 . 1 . . . . . 241 MET CB . 51639 1 759 . 1 . 1 241 241 MET N N 15 117.339 0.000 . 1 . . . . . 241 MET N . 51639 1 760 . 1 . 1 242 242 ALA C C 13 178.714 0.057 . 1 . . . . . 242 ALA C . 51639 1 761 . 1 . 1 242 242 ALA CA C 13 55.439 0.080 . 1 . . . . . 242 ALA CA . 51639 1 762 . 1 . 1 242 242 ALA CB C 13 18.921 0.012 . 1 . . . . . 242 ALA CB . 51639 1 763 . 1 . 1 242 242 ALA N N 15 118.420 0.116 . 1 . . . . . 242 ALA N . 51639 1 764 . 1 . 1 243 243 ARG C C 13 176.369 0.036 . 1 . . . . . 243 ARG C . 51639 1 765 . 1 . 1 243 243 ARG CA C 13 60.872 0.058 . 1 . . . . . 243 ARG CA . 51639 1 766 . 1 . 1 243 243 ARG CB C 13 31.310 0.000 . 1 . . . . . 243 ARG CB . 51639 1 767 . 1 . 1 243 243 ARG CG C 13 27.680 0.000 . 1 . . . . . 243 ARG CG . 51639 1 768 . 1 . 1 243 243 ARG CD C 13 45.420 0.000 . 1 . . . . . 243 ARG CD . 51639 1 769 . 1 . 1 244 244 GLN C C 13 178.777 0.011 . 1 . . . . . 244 GLN C . 51639 1 770 . 1 . 1 244 244 GLN CA C 13 57.440 0.001 . 1 . . . . . 244 GLN CA . 51639 1 771 . 1 . 1 244 244 GLN CB C 13 26.361 0.071 . 1 . . . . . 244 GLN CB . 51639 1 772 . 1 . 1 244 244 GLN CG C 13 32.412 0.033 . 1 . . . . . 244 GLN CG . 51639 1 773 . 1 . 1 244 244 GLN N N 15 111.975 0.093 . 1 . . . . . 244 GLN N . 51639 1 774 . 1 . 1 245 245 LEU C C 13 178.782 0.012 . 1 . . . . . 245 LEU C . 51639 1 775 . 1 . 1 245 245 LEU CA C 13 58.670 0.084 . 1 . . . . . 245 LEU CA . 51639 1 776 . 1 . 1 245 245 LEU CG C 13 26.194 0.000 . 1 . . . . . 245 LEU CG . 51639 1 777 . 1 . 1 245 245 LEU CD2 C 13 23.354 0.000 . 1 . . . . . 245 LEU CD2 . 51639 1 778 . 1 . 1 245 245 LEU N N 15 121.909 0.068 . 1 . . . . . 245 LEU N . 51639 1 779 . 1 . 1 247 247 TYR CA C 13 58.662 0.000 . 1 . . . . . 247 TYR CA . 51639 1 780 . 1 . 1 248 248 THR C C 13 175.910 0.000 . 1 . . . . . 248 THR C . 51639 1 781 . 1 . 1 248 248 THR CA C 13 68.089 0.193 . 1 . . . . . 248 THR CA . 51639 1 782 . 1 . 1 248 248 THR CG2 C 13 19.910 0.193 . 1 . . . . . 248 THR CG2 . 51639 1 783 . 1 . 1 249 249 ILE C C 13 178.803 0.063 . 1 . . . . . 249 ILE C . 51639 1 784 . 1 . 1 249 249 ILE CA C 13 65.735 0.122 . 1 . . . . . 249 ILE CA . 51639 1 785 . 1 . 1 249 249 ILE CB C 13 38.404 0.013 . 1 . . . . . 249 ILE CB . 51639 1 786 . 1 . 1 249 249 ILE CG1 C 13 28.787 0.073 . 1 . . . . . 249 ILE CG1 . 51639 1 787 . 1 . 1 249 249 ILE CG2 C 13 17.065 0.101 . 1 . . . . . 249 ILE CG2 . 51639 1 788 . 1 . 1 249 249 ILE CD1 C 13 13.559 0.066 . 1 . . . . . 249 ILE CD1 . 51639 1 789 . 1 . 1 249 249 ILE N N 15 120.722 0.111 . 1 . . . . . 249 ILE N . 51639 1 790 . 1 . 1 250 250 ALA C C 13 180.104 0.035 . 1 . . . . . 250 ALA C . 51639 1 791 . 1 . 1 250 250 ALA CA C 13 55.683 0.047 . 1 . . . . . 250 ALA CA . 51639 1 792 . 1 . 1 250 250 ALA CB C 13 19.171 0.080 . 1 . . . . . 250 ALA CB . 51639 1 793 . 1 . 1 250 250 ALA N N 15 125.610 0.059 . 1 . . . . . 250 ALA N . 51639 1 794 . 1 . 1 251 251 ASP C C 13 176.801 0.035 . 1 . . . . . 251 ASP C . 51639 1 795 . 1 . 1 251 251 ASP CA C 13 57.360 0.069 . 1 . . . . . 251 ASP CA . 51639 1 796 . 1 . 1 251 251 ASP CB C 13 41.020 0.058 . 1 . . . . . 251 ASP CB . 51639 1 797 . 1 . 1 251 251 ASP CG C 13 180.082 0.000 . 1 . . . . . 251 ASP CG . 51639 1 798 . 1 . 1 251 251 ASP N N 15 122.558 0.076 . 1 . . . . . 251 ASP N . 51639 1 799 . 1 . 1 252 252 VAL C C 13 178.854 0.048 . 1 . . . . . 252 VAL C . 51639 1 800 . 1 . 1 252 252 VAL CA C 13 67.254 0.015 . 1 . . . . . 252 VAL CA . 51639 1 801 . 1 . 1 252 252 VAL CG1 C 13 22.356 0.000 . 1 . . . . . 252 VAL CG1 . 51639 1 802 . 1 . 1 252 252 VAL CG2 C 13 21.017 0.000 . 1 . . . . . 252 VAL CG2 . 51639 1 803 . 1 . 1 252 252 VAL N N 15 118.059 0.000 . 1 . . . . . 252 VAL N . 51639 1 804 . 1 . 1 253 253 SER C C 13 174.167 0.026 . 1 . . . . . 253 SER C . 51639 1 805 . 1 . 1 253 253 SER CA C 13 63.260 0.065 . 1 . . . . . 253 SER CA . 51639 1 806 . 1 . 1 253 253 SER CB C 13 64.074 0.000 . 1 . . . . . 253 SER CB . 51639 1 807 . 1 . 1 253 253 SER N N 15 115.538 0.142 . 1 . . . . . 253 SER N . 51639 1 808 . 1 . 1 254 254 SER C C 13 175.370 0.016 . 1 . . . . . 254 SER C . 51639 1 809 . 1 . 1 254 254 SER CA C 13 61.219 0.032 . 1 . . . . . 254 SER CA . 51639 1 810 . 1 . 1 254 254 SER CB C 13 63.556 0.034 . 1 . . . . . 254 SER CB . 51639 1 811 . 1 . 1 254 254 SER N N 15 115.795 0.052 . 1 . . . . . 254 SER N . 51639 1 812 . 1 . 1 255 255 LYS C C 13 178.000 0.000 . 1 . . . . . 255 LYS C . 51639 1 813 . 1 . 1 255 255 LYS CA C 13 57.530 0.000 . 1 . . . . . 255 LYS CA . 51639 1 814 . 1 . 1 255 255 LYS CB C 13 36.087 0.000 . 1 . . . . . 255 LYS CB . 51639 1 815 . 1 . 1 255 255 LYS CD C 13 26.580 0.000 . 1 . . . . . 255 LYS CD . 51639 1 816 . 1 . 1 255 255 LYS CE C 13 51.590 0.000 . 1 . . . . . 255 LYS CE . 51639 1 817 . 1 . 1 255 255 LYS N N 15 115.607 0.024 . 1 . . . . . 255 LYS N . 51639 1 818 . 1 . 1 257 257 ILE C C 13 177.655 0.000 . 1 . . . . . 257 ILE C . 51639 1 819 . 1 . 1 258 258 TYR C C 13 175.154 0.036 . 1 . . . . . 258 TYR C . 51639 1 820 . 1 . 1 258 258 TYR CA C 13 61.391 0.057 . 1 . . . . . 258 TYR CA . 51639 1 821 . 1 . 1 258 258 TYR CB C 13 40.262 0.055 . 1 . . . . . 258 TYR CB . 51639 1 822 . 1 . 1 258 258 TYR N N 15 119.281 0.028 . 1 . . . . . 258 TYR N . 51639 1 823 . 1 . 1 259 259 GLY C C 13 177.551 0.058 . 1 . . . . . 259 GLY C . 51639 1 824 . 1 . 1 259 259 GLY CA C 13 48.302 0.040 . 1 . . . . . 259 GLY CA . 51639 1 825 . 1 . 1 259 259 GLY N N 15 103.519 0.084 . 1 . . . . . 259 GLY N . 51639 1 826 . 1 . 1 260 260 VAL C C 13 178.560 0.084 . 1 . . . . . 260 VAL C . 51639 1 827 . 1 . 1 260 260 VAL CA C 13 66.502 0.051 . 1 . . . . . 260 VAL CA . 51639 1 828 . 1 . 1 260 260 VAL CB C 13 31.979 0.040 . 1 . . . . . 260 VAL CB . 51639 1 829 . 1 . 1 260 260 VAL CG1 C 13 23.421 0.019 . 1 . . . . . 260 VAL CG1 . 51639 1 830 . 1 . 1 260 260 VAL CG2 C 13 22.528 0.050 . 1 . . . . . 260 VAL CG2 . 51639 1 831 . 1 . 1 260 260 VAL N N 15 125.299 0.080 . 1 . . . . . 260 VAL N . 51639 1 832 . 1 . 1 261 261 LEU CA C 13 57.013 0.022 . 1 . . . . . 261 LEU CA . 51639 1 833 . 1 . 1 261 261 LEU CB C 13 41.470 0.000 . 1 . . . . . 261 LEU CB . 51639 1 834 . 1 . 1 261 261 LEU N N 15 119.998 0.098 . 1 . . . . . 261 LEU N . 51639 1 835 . 1 . 1 264 264 ASN C C 13 175.415 0.073 . 1 . . . . . 264 ASN C . 51639 1 836 . 1 . 1 264 264 ASN CA C 13 55.310 0.032 . 1 . . . . . 264 ASN CA . 51639 1 837 . 1 . 1 265 265 LEU C C 13 177.689 0.045 . 1 . . . . . 265 LEU C . 51639 1 838 . 1 . 1 265 265 LEU CA C 13 57.765 0.086 . 1 . . . . . 265 LEU CA . 51639 1 839 . 1 . 1 265 265 LEU CB C 13 40.535 0.043 . 1 . . . . . 265 LEU CB . 51639 1 840 . 1 . 1 265 265 LEU CG C 13 27.292 0.013 . 1 . . . . . 265 LEU CG . 51639 1 841 . 1 . 1 265 265 LEU CD1 C 13 26.415 0.045 . 1 . . . . . 265 LEU CD1 . 51639 1 842 . 1 . 1 265 265 LEU CD2 C 13 23.438 0.005 . 1 . . . . . 265 LEU CD2 . 51639 1 843 . 1 . 1 265 265 LEU N N 15 125.501 0.194 . 1 . . . . . 265 LEU N . 51639 1 844 . 1 . 1 266 266 ALA C C 13 177.940 0.021 . 1 . . . . . 266 ALA C . 51639 1 845 . 1 . 1 266 266 ALA CA C 13 55.108 0.000 . 1 . . . . . 266 ALA CA . 51639 1 846 . 1 . 1 266 266 ALA CB C 13 17.332 0.000 . 1 . . . . . 266 ALA CB . 51639 1 847 . 1 . 1 266 266 ALA N N 15 122.650 0.058 . 1 . . . . . 266 ALA N . 51639 1 848 . 1 . 1 268 268 THR C C 13 175.838 0.091 . 1 . . . . . 268 THR C . 51639 1 849 . 1 . 1 268 268 THR CA C 13 66.149 0.109 . 1 . . . . . 268 THR CA . 51639 1 850 . 1 . 1 268 268 THR CB C 13 68.890 0.000 . 1 . . . . . 268 THR CB . 51639 1 851 . 1 . 1 268 268 THR CG2 C 13 21.387 0.000 . 1 . . . . . 268 THR CG2 . 51639 1 852 . 1 . 1 268 268 THR N N 15 115.181 0.124 . 1 . . . . . 268 THR N . 51639 1 853 . 1 . 1 269 269 LEU C C 13 178.334 0.025 . 1 . . . . . 269 LEU C . 51639 1 854 . 1 . 1 269 269 LEU CA C 13 58.214 0.000 . 1 . . . . . 269 LEU CA . 51639 1 855 . 1 . 1 269 269 LEU CB C 13 41.689 0.000 . 1 . . . . . 269 LEU CB . 51639 1 856 . 1 . 1 269 269 LEU CG C 13 27.735 0.000 . 1 . . . . . 269 LEU CG . 51639 1 857 . 1 . 1 270 270 SER C C 13 176.621 0.000 . 1 . . . . . 270 SER C . 51639 1 858 . 1 . 1 270 270 SER CA C 13 62.456 0.049 . 1 . . . . . 270 SER CA . 51639 1 859 . 1 . 1 270 270 SER N N 15 115.533 0.109 . 1 . . . . . 270 SER N . 51639 1 860 . 1 . 1 271 271 LYS C C 13 176.036 0.061 . 1 . . . . . 271 LYS C . 51639 1 861 . 1 . 1 271 271 LYS CA C 13 59.173 0.050 . 1 . . . . . 271 LYS CA . 51639 1 862 . 1 . 1 271 271 LYS CG C 13 23.114 0.083 . 1 . . . . . 271 LYS CG . 51639 1 863 . 1 . 1 271 271 LYS CE C 13 43.557 0.022 . 1 . . . . . 271 LYS CE . 51639 1 864 . 1 . 1 271 271 LYS N N 15 117.852 0.046 . 1 . . . . . 271 LYS N . 51639 1 865 . 1 . 1 272 272 ASN C C 13 175.798 0.000 . 1 . . . . . 272 ASN C . 51639 1 866 . 1 . 1 272 272 ASN CA C 13 55.946 0.102 . 1 . . . . . 272 ASN CA . 51639 1 867 . 1 . 1 272 272 ASN CB C 13 37.160 0.000 . 1 . . . . . 272 ASN CB . 51639 1 868 . 1 . 1 272 272 ASN N N 15 115.574 0.047 . 1 . . . . . 272 ASN N . 51639 1 869 . 1 . 1 273 273 LYS N N 15 108.880 0.000 . 1 . . . . . 273 LYS N . 51639 1 870 . 1 . 1 274 274 GLU C C 13 178.050 0.000 . 1 . . . . . 274 GLU C . 51639 1 871 . 1 . 1 274 274 GLU CA C 13 58.788 0.026 . 1 . . . . . 274 GLU CA . 51639 1 872 . 1 . 1 274 274 GLU CB C 13 30.520 0.000 . 1 . . . . . 274 GLU CB . 51639 1 873 . 1 . 1 274 274 GLU CG C 13 34.760 0.000 . 1 . . . . . 274 GLU CG . 51639 1 874 . 1 . 1 274 274 GLU CD C 13 179.830 0.000 . 1 . . . . . 274 GLU CD . 51639 1 875 . 1 . 1 274 274 GLU N N 15 122.410 0.000 . 1 . . . . . 274 GLU N . 51639 1 876 . 1 . 1 275 275 LEU C C 13 177.885 0.000 . 1 . . . . . 275 LEU C . 51639 1 877 . 1 . 1 275 275 LEU CA C 13 57.690 0.000 . 1 . . . . . 275 LEU CA . 51639 1 878 . 1 . 1 275 275 LEU CB C 13 42.306 0.000 . 1 . . . . . 275 LEU CB . 51639 1 879 . 1 . 1 275 275 LEU N N 15 122.396 0.000 . 1 . . . . . 275 LEU N . 51639 1 880 . 1 . 1 276 276 VAL N N 15 116.186 0.000 . 1 . . . . . 276 VAL N . 51639 1 stop_ save_